#DEFINITION	Reference Metabolome for Robinia pseudoacacia
#IDENTTFIER	RefMeta-Robinia pseudoacacia.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Robinia pseudoacacia
#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 Robinia pseudoacacia 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	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5528
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	17.7
71.36419	0.4
72.99306	1.7
73.02943	2.3
75.00866	0.4
80.02664	0.2
81.03426	1.0
82.05106	0.2
83.01379	1.7
83.05022	1.2
85.02948	3.9
85.03457	0.3
87.00871	3.7
89.02441	14.8
93.03477	0.5
95.01389	0.9
95.05029	1.5
96.95966	0.2
97.02950	2.2
97.06593	0.4
99.00878	1.2
99.04498	0.2
101.02438	13.7
106.66443	0.2
107.05045	0.3
107.08571	0.2
109.02934	0.3
109.06571	0.9
111.00867	0.5
111.04536	0.6
111.08156	11.0
113.02445	7.3
113.09693	0.8
116.92869	1.1
119.03497	5.1
119.04916	0.3
121.02954	0.3
123.00787	0.3
123.08111	0.4
125.02436	3.8
127.07673	0.5
131.03488	0.9
133.05029	0.4
135.11798	0.6
137.09700	0.8
139.03989	0.5
141.01906	0.7
141.09216	0.3
143.03497	2.5
147.08115	0.3
148.33969	0.3
149.04538	0.5
149.09706	0.8
151.11307	0.6
155.10793	0.2
161.04552	2.8
163.11244	0.4
167.10776	2.4
169.12328	0.4
171.10242	0.6
177.12871	2.5
179.05595	3.6
179.10770	2.0
179.14423	0.3
185.04512	0.5
191.14398	0.4
193.12260	0.2
195.12074	0.4
195.13881	8.7
197.11823	0.6
203.14403	0.6
211.13531	0.3
217.07129	0.3
217.15692	0.2
221.06656	1.9
223.13316	1.1
233.15497	0.2
235.08228	3.4
245.19031	0.8
247.20671	2.3
253.09187	0.6
263.07715	0.8
263.20200	0.3
269.90720	0.2
271.16879	0.2
273.18549	1.6
275.20074	1.5
277.09393	0.3
277.21570	0.4
287.07739	0.4
289.18118	5.1
290.18295	0.3
291.19641	100.0
292.19998	3.5
293.21204	10.3
294.21664	0.4
305.08728	0.6
307.19131	7.8
308.19376	0.2
309.20694	0.9
323.09875	0.3
333.20532	0.4
379.12332	0.5
397.13470	12.6
398.13812	0.3
415.14542	7.4
689.33673	0.4
941.41882	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5528
Annotation	Unknow
Peak:m/z	Relative Intensity
70.04509	0.3
70.31596	0.4
71.01378	12.1
71.53860	0.5
72.99316	0.6
73.02943	1.2
77.50108	0.5
81.03453	0.6
83.01405	1.3
83.05006	0.6
85.02951	2.5
87.00864	2.4
89.02441	8.8
95.01398	0.7
95.05003	0.6
96.96004	2.0
97.02942	4.6
97.06602	0.7
99.00895	0.8
101.02441	8.8
107.05029	0.5
111.04501	0.4
111.08164	6.5
113.02444	5.1
119.03482	2.3
125.02441	3.3
125.09702	1.1
127.07622	0.6
131.03470	0.5
137.09724	1.0
143.03487	1.3
153.12813	0.8
161.04529	1.9
163.11253	1.1
165.12810	3.0
167.10706	0.4
169.02632	0.4
169.12354	3.3
171.10294	3.3
179.05617	3.0
179.28838	0.4
181.12341	1.5
183.13826	0.8
193.12312	0.7
193.15962	0.5
197.11819	30.9
198.12148	0.8
199.13387	1.6
209.11818	1.7
211.13390	5.9
221.06636	1.2
223.13319	0.6
225.14978	0.5
227.12930	3.0
235.08270	2.2
247.20595	2.5
253.09219	0.5
263.20197	1.7
265.18085	0.8
273.18613	1.1
291.19644	29.8
292.19971	1.0
293.21051	0.6
305.08740	0.8
307.19260	0.6
309.20685	100.0
310.21036	3.8
323.09833	0.8
325.20255	0.4
327.22089	0.4
333.20645	0.7
341.10736	0.4
379.12314	1.3
397.13470	23.9
398.13800	0.9
415.14584	14.4
601.40948	2.7
664.42102	0.5
671.33179	0.6
689.33527	3.3
707.34833	6.0
981.52893	0.5
999.54767	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5525
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	21.8
72.99300	1.9
73.02946	3.3
80.02674	0.5
81.03459	1.6
83.01377	2.9
83.05006	1.5
84.76561	0.3
85.02954	5.4
86.00091	0.3
87.00871	5.2
87.04539	0.3
89.02443	19.3
93.03450	0.4
95.01394	2.1
95.05010	1.5
96.95984	0.5
97.02947	5.2
97.06584	1.8
98.20621	0.5
99.00851	1.4
99.04539	0.4
101.02438	18.3
107.05038	0.4
109.02938	0.5
109.06597	1.1
111.00856	0.5
111.04524	0.7
111.08158	11.3
112.08459	0.3
113.02444	9.9
113.09692	0.6
119.03498	5.4
121.02923	0.3
121.06565	0.5
123.04504	1.0
123.08126	0.8
125.02441	6.2
125.09720	2.7
127.07622	0.5
129.09433	0.3
130.25407	0.3
131.03481	1.2
133.05070	0.3
135.08163	0.5
137.09698	1.7
139.04019	0.7
141.01955	0.7
141.09213	0.4
141.12881	0.3
143.03488	3.2
145.04979	0.4
149.04501	0.7
149.09750	0.4
151.11285	0.6
153.09195	0.5
153.12811	0.5
155.10764	0.4
156.49937	0.3
161.04543	3.7
163.11255	2.0
165.12823	2.1
167.03485	0.3
167.10750	2.2
167.14441	0.4
169.12328	2.3
171.10248	2.4
173.90236	0.3
177.12842	2.1
179.05602	7.0
179.10782	1.5
179.14372	0.6
181.12297	1.2
183.13866	0.9
185.04512	0.3
185.11810	2.6
191.10736	0.3
191.14389	1.8
193.12253	1.0
193.15971	0.4
195.12065	0.4
195.13873	7.5
196.14267	0.4
197.11812	22.3
198.12105	0.7
199.13394	1.0
201.07782	0.3
203.14258	0.5
207.10281	1.0
209.11804	5.0
211.13379	3.4
211.68451	0.3
217.07068	0.3
219.17502	0.4
221.06607	2.4
221.11850	0.4
223.13402	3.0
225.11284	0.6
225.14917	0.4
227.12856	3.0
228.13269	0.3
229.19423	0.4
235.08215	5.4
236.08603	0.3
237.11253	0.5
239.13023	0.5
245.19077	4.0
247.16878	0.4
247.20613	2.7
253.09201	1.4
256.13141	0.5
263.07642	0.8
263.20090	2.4
265.18039	0.5
271.17245	0.4
273.18552	2.2
275.20084	2.3
277.21585	0.6
287.07684	1.0
289.18066	13.9
290.18381	0.8
291.19638	100.0
292.19989	4.1
293.21210	31.5
294.21487	1.5
305.08817	1.2
307.19135	13.1
308.19418	0.6
309.20682	47.4
310.21057	3.0
323.09784	0.9
325.20020	0.3
333.20612	0.7
379.12372	1.7
397.13470	33.8
398.13800	1.1
415.14551	15.5
416.14993	0.8
461.61887	0.3
534.83759	0.3
581.07520	0.3
607.26019	0.6
671.32837	0.5
689.33661	2.1
705.34088	0.6
707.34784	0.9
796.73279	0.3
981.54327	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5528
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	9.8
71.01781	0.5
71.53162	0.2
72.99300	0.8
73.02956	1.5
75.00858	0.3
80.02696	0.5
81.03456	0.8
82.98962	0.2
83.01383	0.8
83.05040	0.9
85.02955	2.4
87.00866	2.0
89.02444	8.9
95.01380	0.8
95.05035	0.3
96.96001	1.0
97.02958	3.0
97.06572	0.6
99.00879	0.7
101.02439	7.4
103.27814	0.2
109.06573	0.7
111.04511	0.3
111.08158	8.7
113.02458	4.1
119.03503	2.4
119.08643	0.3
125.02456	2.8
125.09692	0.5
127.07652	0.9
131.03481	0.3
137.09708	0.6
141.01930	0.4
143.03482	1.2
149.04585	0.3
151.11261	0.6
153.09171	0.3
153.12846	1.1
155.10748	0.4
155.11977	0.2
161.04547	2.0
163.11279	0.7
165.12813	1.3
169.12325	4.9
171.10249	1.6
177.12813	0.3
179.05589	2.8
179.10741	0.5
181.12337	1.7
182.33214	0.2
183.13913	1.2
185.04546	0.3
193.12300	0.7
197.11818	43.6
198.12129	0.9
199.13344	2.0
209.11874	1.2
211.13371	7.6
221.06625	1.4
227.12907	2.0
235.08234	2.3
247.20578	0.9
253.09227	0.7
263.07642	0.4
263.20160	2.8
265.18204	0.6
273.18665	1.5
287.07623	0.6
290.27594	0.3
291.19647	19.6
292.19998	0.8
305.08905	1.1
309.20685	100.0
310.21005	4.1
323.09756	0.9
327.10358	0.2
333.20569	0.5
336.94614	0.3
379.12369	1.3
397.13467	21.6
398.13882	0.6
415.14548	14.1
416.14609	0.4
595.25983	0.6
601.40918	2.8
689.33575	2.5
707.34882	6.2
708.35059	0.4
737.55225	0.3
902.98962	0.2
999.54626	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5689
Annotation	Unknow
Peak:m/z	Relative Intensity
70.74564	86.0
70.74917	100.0
81.75844	52.0
88.55422	41.5
90.32357	44.5
98.20676	61.0
125.34638	60.6
127.72942	48.7
128.82645	47.9
151.93155	48.9
174.80602	46.4
183.20877	48.1
210.51357	54.1
254.35362	46.7
257.89938	54.3
428.05554	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5375
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03447	3.7
71.01377	40.2
72.99312	2.8
73.02950	5.1
73.31929	1.6
77.39606	1.7
78.95891	3.1
79.45206	1.8
81.03466	3.6
83.01395	7.1
85.02932	14.2
87.00874	11.0
89.02444	29.5
95.01378	3.8
95.05035	3.7
96.96006	4.4
97.02953	13.4
97.06587	5.5
99.00933	2.0
101.02438	30.2
106.04238	2.1
106.10650	2.0
107.05030	2.3
109.02984	2.2
109.06576	4.1
111.08156	8.2
113.02456	16.3
119.03493	8.2
123.04506	4.9
123.08187	3.1
125.02430	11.5
125.09702	4.7
131.04630	2.0
135.08144	2.2
137.06068	2.7
137.09695	2.6
141.01895	2.1
143.03497	5.3
145.92043	1.6
149.06071	1.9
151.11249	2.6
153.90271	2.0
161.04504	7.5
161.21663	1.9
163.11290	7.8
165.12813	4.9
169.12326	4.3
171.10255	5.4
177.12784	2.4
179.05576	10.4
179.10744	1.9
181.12317	3.5
185.11830	6.4
191.14410	7.0
193.15996	2.3
195.13889	15.3
197.11823	50.6
203.10802	3.9
203.14426	1.9
207.10233	5.5
209.11861	20.4
211.13353	10.0
221.06680	5.3
221.11772	2.5
223.13354	4.3
225.11208	2.1
227.12912	5.7
229.12221	2.4
235.08151	6.9
235.13385	3.3
237.11320	3.1
237.14951	6.5
243.17542	2.2
245.19067	15.2
247.13287	10.9
247.20631	2.7
253.09061	2.3
261.18433	2.6
263.20187	6.3
265.14435	4.5
275.20212	2.8
287.16534	5.3
289.14804	1.9
289.18085	59.6
291.19620	34.8
293.21228	65.1
305.08716	4.3
305.17557	29.3
307.15634	3.4
307.19141	65.0
309.20688	100.0
310.21115	3.7
323.18655	3.9
379.12265	4.9
397.08359	3.4
397.13501	66.4
413.37479	2.2
415.14560	27.3
597.75818	1.8
617.92010	1.9
633.27808	3.5
643.47211	1.8
648.22900	2.0
663.28198	2.4
687.32373	3.6
703.31671	2.6
705.33911	2.7
707.35657	4.1
789.55103	1.8
873.80066	2.1
882.48431	2.4
909.48157	4.5
921.47217	4.4
939.49609	14.7
965.52606	2.4
979.52277	5.3
997.53833	10.0
1018.90442	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	995.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	2.6
71.54001	0.1
72.13067	0.1
73.02944	0.7
73.40908	0.1
81.01852	0.1
83.01369	0.6
85.02941	0.8
87.00897	0.1
89.02441	1.4
93.03468	0.2
95.01398	0.2
99.00873	0.2
101.02437	1.8
105.03439	0.2
107.01380	0.9
113.02431	1.1
117.03450	1.8
119.03494	0.5
121.02956	0.2
125.02437	0.2
131.03481	0.1
135.04477	0.1
137.02397	0.1
143.03497	0.2
149.02437	0.5
151.00339	0.5
152.04787	0.1
157.06551	0.2
159.03259	0.2
159.04485	0.7
161.02477	0.8
161.04556	0.8
169.06566	0.4
170.27646	0.1
179.05589	0.2
181.06573	0.4
182.03706	0.2
183.04478	0.5
196.05298	0.2
197.06058	0.5
201.05533	0.5
224.04768	0.2
225.05537	0.9
227.03482	0.5
240.04155	0.1
268.03751	2.8
269.04529	100.0
270.04861	3.4
311.05515	0.3
313.16440	0.3
327.12369	0.2
331.17560	2.4
339.12604	0.2
340.82254	0.1
351.47043	0.1
373.18634	6.6
374.18839	0.2
396.97665	0.1
577.15558	30.5
578.15833	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52702	1.3
83.01392	0.4
103.59364	0.2
105.03395	0.2
107.01395	1.3
109.02930	0.2
121.02959	0.3
125.02425	0.3
133.02948	2.6
149.02380	1.0
151.00345	2.4
175.04004	1.3
177.01935	0.3
185.06073	0.3
187.04002	0.2
199.03981	1.3
201.01917	0.5
205.17218	0.2
213.05522	0.3
215.03374	0.5
217.05023	0.7
223.04047	0.2
225.42670	0.2
241.05064	0.7
243.03024	0.5
256.03763	0.9
257.04517	0.3
267.03091	0.2
284.03241	12.5
285.04013	100.0
286.04340	4.2
291.89670	0.2
297.03760	0.2
301.97665	0.2
327.05051	0.7
403.19656	0.3
410.61652	0.2
593.15051	92.2
594.15344	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	987.5736
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03471	0.3
69.85302	1.2
71.01375	4.0
73.02939	0.8
83.01394	0.9
85.02941	1.2
87.00851	0.7
89.02441	3.9
91.75867	0.2
93.03454	0.2
95.01363	0.3
98.20622	0.5
99.00896	0.4
101.02439	4.4
103.45956	0.2
111.08157	0.5
113.02444	2.2
119.03491	1.2
125.02450	1.0
161.04546	2.2
165.05518	0.3
165.12842	7.6
179.05588	0.5
183.13889	76.4
184.14221	3.2
209.11795	1.2
227.12856	6.0
235.08310	0.5
253.09273	5.5
298.04645	0.3
443.97247	0.2
445.20529	0.3
462.11166	0.5
463.21820	100.0
464.22131	6.7
464.28308	0.5
465.22366	1.7
494.11169	0.3
526.75146	0.3
584.28192	0.3
720.25885	0.3
961.08514	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5738
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	2.0
69.36864	2.0
70.49756	0.2
71.01378	11.0
72.99301	0.9
73.02940	1.5
81.03461	0.6
83.01374	1.2
83.05024	0.8
84.02160	0.5
85.02948	9.2
87.00874	2.7
87.46310	0.2
89.02440	9.8
95.01390	0.9
95.04988	0.6
97.02955	3.0
97.06583	1.8
99.00874	0.6
101.02440	8.1
109.06560	0.4
109.95741	0.2
110.03718	0.3
113.02448	4.3
116.92884	0.5
119.03502	2.6
119.08653	0.6
121.02954	0.4
123.08162	0.3
125.02425	3.6
125.09692	1.2
127.11266	1.6
131.03514	0.2
137.09727	2.5
143.03491	1.3
146.39651	0.2
153.09157	0.3
155.10754	1.1
155.14386	0.2
158.99960	0.2
161.04514	1.6
163.11328	0.3
165.12804	0.8
171.10258	27.5
172.10599	0.6
177.12827	0.6
179.05609	4.1
181.12390	0.3
183.13885	2.0
185.04568	0.3
185.11832	1.0
187.63229	0.3
193.12312	1.0
197.11861	0.6
201.11311	1.3
203.10713	0.4
209.11787	1.3
211.13377	10.9
212.13644	0.4
213.11304	0.3
217.07269	0.3
221.06642	2.0
221.11790	1.9
223.13329	0.3
227.12680	0.3
229.14429	8.8
235.08224	3.2
239.12840	1.5
247.20660	0.4
253.09193	0.8
263.07742	0.3
277.21698	18.0
278.22061	0.6
281.08670	0.3
287.07748	1.3
291.19662	4.4
291.22867	0.3
292.20050	0.4
293.21222	0.8
305.08731	1.3
309.20679	11.4
310.20972	0.6
311.22284	0.6
323.09848	0.4
327.21738	100.0
328.22073	4.3
351.21619	0.6
357.24777	0.3
369.22849	0.6
379.12384	0.8
397.13470	25.4
398.13760	0.9
415.14548	14.9
527.28522	0.3
545.29718	0.3
587.42902	2.4
675.35938	1.3
707.34875	8.8
708.35284	1.0
725.36047	6.6
726.36194	0.6
985.57214	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99830	0.3
69.03438	1.4
70.53772	0.8
71.01379	14.5
72.99312	1.3
73.02940	2.1
75.00894	0.3
81.03455	0.8
83.01374	1.7
83.05015	0.7
85.02945	3.8
87.00871	3.6
89.02441	12.6
90.02789	0.2
95.01389	1.3
95.05037	0.5
96.96005	2.4
97.02946	3.4
97.06615	0.5
99.00876	1.0
101.02438	10.7
109.02946	0.5
109.06567	0.4
111.00863	0.4
111.04503	0.4
111.08161	4.7
113.02442	7.0
116.92879	0.2
119.03511	3.8
121.02926	0.4
121.10235	0.3
123.04611	0.2
123.08175	0.3
124.01611	0.3
125.02447	3.8
125.09705	0.7
127.07674	0.3
129.57825	0.2
131.03505	0.3
133.00127	0.2
134.51657	0.2
137.09709	0.7
139.03996	0.4
141.01999	0.4
141.09238	0.2
143.03474	1.8
143.99132	0.4
149.04518	0.3
153.12848	0.7
161.04565	2.8
163.11255	1.3
165.12897	1.2
167.10754	0.6
169.12366	2.1
171.10265	2.9
175.13840	0.2
177.12822	0.4
179.05594	4.4
179.10754	0.3
179.14398	0.8
179.90254	0.2
181.12309	1.0
183.13892	0.9
185.04565	0.2
185.11755	0.4
193.12241	0.5
193.15884	0.3
195.13881	7.7
196.14417	0.4
197.11815	23.6
198.12160	0.7
199.13365	1.5
205.12291	0.7
205.16054	0.5
209.11790	1.2
211.13379	4.0
217.07130	0.4
221.06537	1.5
223.13383	5.9
224.13846	0.3
225.15033	0.6
227.12894	1.8
228.13637	0.9
231.21141	0.5
235.08226	4.1
239.12953	0.3
247.20689	1.4
253.09305	0.9
256.13101	1.3
263.07632	0.5
263.20062	1.2
265.18057	0.9
265.21866	0.3
273.18597	0.9
275.20142	5.7
276.20297	0.3
277.21732	0.3
287.07495	1.3
289.18121	0.3
291.19641	19.3
292.19958	0.7
293.21201	100.0
294.21539	4.2
305.08755	1.3
309.20682	71.9
310.21051	3.3
317.21252	0.5
323.09650	1.2
333.20609	0.3
379.12411	2.6
397.13464	34.3
398.14044	1.1
415.14532	20.4
416.14972	0.7
585.41632	3.8
586.41388	0.3
654.27362	0.3
673.34119	1.1
689.33948	2.7
691.35205	3.9
707.34869	3.6
729.39508	0.3
760.15271	0.3
983.55286	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	0.2
71.01376	3.4
72.99312	0.2
73.02939	0.3
83.01376	0.2
83.05018	0.2
85.02943	1.4
89.02440	2.7
95.01389	0.6
97.06568	0.3
101.02451	1.7
110.36771	0.1
110.72382	0.1
111.08159	1.3
113.02446	2.4
119.03487	0.8
135.04039	0.1
137.16295	0.2
143.03494	0.3
156.51785	0.2
161.04567	1.2
163.14908	0.2
165.12837	22.5
166.13158	0.6
166.56403	0.1
167.14389	0.3
179.05626	0.4
181.12315	0.2
183.13887	66.9
184.14249	1.7
187.98695	0.1
191.10776	0.4
197.15460	1.2
207.13901	1.7
209.11809	2.3
225.14973	1.1
227.12871	100.0
228.13206	2.3
251.12872	3.0
263.12811	0.2
268.03735	0.2
269.13821	1.1
281.13922	0.3
283.06116	0.5
284.03247	0.3
291.16208	0.2
293.13824	0.7
299.05508	0.4
299.14944	0.5
329.15930	1.2
353.15967	0.4
389.18149	30.6
390.18497	1.0
477.19662	0.2
640.59900	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99855	0.2
69.03458	1.1
70.52903	0.2
70.70264	0.2
70.70616	0.5
71.01379	17.6
71.05023	0.2
72.23631	0.2
72.99302	1.6
73.02942	2.4
75.00861	0.5
80.02647	0.2
81.03462	1.0
83.01385	1.9
83.05030	0.8
85.02950	4.1
86.00110	0.2
87.00869	4.1
89.02439	15.8
91.04010	0.2
93.03429	0.4
94.42397	0.2
95.01380	1.2
95.05029	1.1
96.95978	0.2
97.02954	2.5
97.06575	0.4
99.00870	1.1
99.04518	0.2
101.02439	12.8
109.02922	0.2
109.06586	0.4
111.00912	0.4
111.04557	0.3
111.07382	0.4
111.08157	7.3
113.02451	8.0
113.09711	0.7
119.03494	4.2
121.02943	0.2
121.06577	0.2
123.00846	0.2
123.08170	0.2
125.02441	4.1
127.03986	0.2
129.01942	0.2
131.03511	0.8
133.05038	0.4
135.11783	0.3
137.09735	0.6
139.04004	0.6
139.11331	0.3
141.01910	0.6
141.09186	0.4
143.03497	2.4
143.73088	0.2
145.05025	0.3
149.04535	0.5
149.09732	0.4
159.11740	0.2
161.04543	3.5
161.09724	0.2
167.03494	0.2
167.10779	2.2
169.12299	0.3
171.10214	0.5
177.12860	2.2
179.05602	4.6
179.10739	1.6
179.14423	1.1
181.12274	0.2
185.04492	0.3
195.13887	13.3
196.14499	0.5
197.11772	0.5
203.14330	0.3
205.12280	0.7
205.15930	0.5
211.13368	0.5
217.07135	0.3
221.06659	1.9
223.13380	5.9
224.14124	0.3
225.14970	0.5
228.13620	0.7
231.21140	0.5
235.08212	4.1
239.12813	0.4
245.06639	0.2
247.20644	1.5
249.22047	0.3
253.09203	0.9
256.13144	2.0
263.07675	0.7
265.21689	0.6
273.18564	1.3
275.20160	5.6
277.09329	0.2
277.21625	0.3
287.07751	1.0
291.19641	81.0
292.19955	2.6
293.21204	100.0
294.21542	4.1
305.08743	1.3
309.20615	0.8
317.21259	0.4
323.10040	0.9
325.20239	0.5
328.86624	0.2
333.20407	0.3
335.22348	0.2
379.12201	1.3
397.13470	29.1
398.13766	0.8
415.14536	14.0
416.14807	0.5
499.95096	0.2
567.40302	0.3
580.22125	0.2
654.27490	0.3
671.32776	0.5
673.34314	0.4
689.33875	1.6
691.35651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31380	0.3
69.35428	2.8
71.01379	2.5
72.99313	0.8
73.02947	0.7
75.00868	0.4
78.23270	0.3
81.03457	0.8
81.21764	0.3
83.01384	0.7
85.02940	2.4
87.38637	0.4
89.02430	0.7
93.03463	0.8
95.01392	1.7
97.02943	0.9
99.00854	0.7
99.04507	1.3
101.02446	1.1
108.02167	64.9
109.02958	15.0
111.00931	0.5
113.02471	1.2
117.03455	8.8
119.05020	10.1
121.02943	1.3
122.03764	0.6
123.00865	1.7
123.04540	0.6
125.02431	4.8
133.02945	0.6
134.03767	0.5
135.04530	1.0
137.48589	0.4
145.02943	27.4
146.03308	0.5
149.02420	0.9
150.03265	0.7
151.00395	0.4
151.03990	1.6
152.01141	100.0
153.01933	4.0
161.04544	0.6
161.06071	0.7
163.03995	10.1
167.03522	0.4
172.05432	0.5
177.01871	0.8
179.03438	0.5
187.04021	1.7
207.02948	0.7
212.81657	0.4
241.07153	2.8
267.05139	0.7
285.06097	1.0
299.05676	0.5
307.08539	0.5
349.09366	0.6
399.09271	15.6
400.09592	0.6
417.10345	22.8
418.10828	0.7
431.12054	0.6
433.11499	1.0
459.11441	12.2
475.12521	0.7
481.13565	0.7
499.14447	1.5
501.12350	0.9
525.12592	1.1
561.14417	1.3
776.91766	0.4
813.20526	0.6
831.21967	14.1
832.22540	1.4
851.21924	1.0
959.23334	0.7
977.25464	43.5
978.25824	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	980.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29968	42.8
69.30379	82.9
71.01393	39.6
79.44417	15.3
79.97378	12.8
85.02968	13.9
89.02436	46.2
101.02438	15.5
113.02459	20.1
125.02408	20.2
138.85001	15.9
161.74561	16.9
163.25230	15.4
171.93114	13.9
179.05675	17.4
197.11752	49.4
209.11870	100.0
210.12122	33.5
277.21609	27.0
289.18021	35.7
291.19626	96.2
293.21240	68.8
307.19061	42.8
309.20694	72.6
369.06726	18.5
379.12277	17.1
397.13370	66.3
398.13568	20.8
400.14273	20.7
415.14261	32.2
520.33441	17.6
711.97681	22.6
785.38995	17.1
960.04340	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	971.5948
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	0.7
71.01380	14.9
71.33491	0.6
71.37167	0.9
72.99306	1.1
73.02943	2.1
73.51263	0.5
81.03424	0.6
83.01381	1.9
85.02962	3.3
87.00877	3.2
89.02441	13.0
95.01398	1.3
95.05000	0.7
97.02953	3.1
98.78360	0.6
99.00914	0.5
101.02438	12.2
108.16341	0.5
109.02872	0.4
111.04501	0.6
113.02461	5.1
114.93393	0.8
116.92814	1.9
119.03502	4.0
125.02457	4.8
131.03494	0.6
133.05022	1.0
143.03493	2.1
161.04544	2.8
179.05586	2.5
179.14470	0.8
195.13890	6.7
200.38382	0.5
205.12320	0.8
211.13368	1.0
221.06696	0.8
223.13400	4.7
224.13998	0.5
228.13640	1.1
231.21136	0.5
235.08200	5.6
251.19099	0.5
253.09200	1.5
256.13217	1.3
263.07611	0.7
265.21622	0.6
275.20090	3.9
279.23276	44.7
280.23431	2.6
287.07703	1.7
293.21225	100.0
294.21524	4.6
305.05701	0.5
305.08731	2.6
397.13483	73.9
398.13885	2.1
415.14557	21.8
416.14990	0.8
446.00107	0.5
677.37427	6.4
678.37823	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	3.0
71.01381	23.2
72.99309	1.7
73.02951	3.6
83.01389	3.6
85.02948	7.4
87.00883	4.0
89.02442	23.3
95.01385	1.8
97.02950	7.2
97.06598	1.6
101.02448	17.4
102.11494	1.3
111.08163	6.2
113.02454	12.3
116.92862	1.8
119.03477	5.6
125.02442	8.3
125.09705	2.5
131.03441	1.6
143.03503	4.3
149.04530	2.0
153.09331	1.4
161.04532	3.8
161.92589	1.3
163.11308	1.7
165.12836	2.3
167.10812	2.7
169.12433	2.3
171.10324	2.5
179.05647	6.3
179.14436	3.2
181.12328	1.6
195.13911	9.4
197.11818	36.5
199.13362	1.9
205.12300	11.0
207.10152	2.7
209.11833	2.3
211.13353	3.7
221.06670	1.9
223.13380	82.1
224.13792	2.2
225.11331	2.4
227.12892	3.7
235.08202	5.1
247.20715	2.3
253.09079	1.7
255.23254	1.7
263.68884	1.4
273.18478	1.8
277.21640	2.3
287.07565	2.6
291.19696	21.4
305.08963	1.7
309.20688	100.0
310.21124	2.9
315.43607	1.7
323.09634	2.1
341.07245	1.4
379.12503	5.2
397.13464	50.3
415.14474	15.2
515.33295	1.8
603.26593	10.4
621.27600	18.5
689.33704	6.4
704.35266	1.5
707.35077	10.1
738.97473	1.6
913.47644	14.8
924.23322	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99828	1.5
69.03444	1.6
71.00587	1.0
71.01381	27.5
72.99286	3.1
73.02944	10.4
75.00871	12.0
78.84961	0.8
83.01390	3.2
85.02948	21.5
86.00099	2.1
87.00878	11.8
87.04512	3.1
89.02438	6.5
95.01387	4.8
96.96005	1.6
97.02967	1.1
99.00880	15.4
101.02435	11.2
103.03979	1.9
108.41246	0.8
112.01662	1.1
113.02448	15.0
115.00385	1.1
115.03986	2.2
119.03474	2.4
121.72412	0.7
125.02437	1.2
131.03516	4.6
139.00362	1.3
143.03506	6.2
157.01387	1.5
163.06090	1.9
174.01962	0.7
205.07130	2.9
294.27582	0.7
321.13043	0.8
327.21896	0.9
369.83029	0.7
397.13547	1.0
407.29156	0.9
430.01764	0.8
463.30927	0.7
697.78961	0.9
951.46179	1.3
969.46924	100.0
970.47351	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	967.5627
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	0.9
71.01379	17.5
72.99316	1.4
73.02937	2.5
75.00898	0.6
81.03463	1.0
83.01380	2.0
83.05038	1.1
85.02956	3.7
87.00867	5.0
89.02443	15.1
95.01399	1.0
95.05009	0.5
97.02914	3.0
98.19865	1.4
99.00887	0.8
101.02440	13.7
109.02945	0.7
111.08162	8.6
113.02441	6.6
119.03504	5.8
125.02437	6.2
131.03508	1.2
133.05144	0.7
137.09793	0.7
139.04053	0.6
141.01941	0.9
143.03470	2.9
161.04538	3.6
161.81738	0.5
167.10753	1.8
169.12288	0.5
177.12816	1.5
179.05624	6.5
179.10748	1.3
189.61519	0.5
195.13907	5.8
197.11757	0.6
221.06624	1.7
229.20267	0.6
235.08167	4.6
247.20659	1.6
253.09361	1.1
273.18430	1.5
275.20316	1.2
277.21704	44.6
278.22147	2.2
288.59164	0.6
291.19641	100.0
292.19922	3.7
293.21103	1.2
305.08618	1.1
309.20660	0.9
309.30292	0.6
323.09830	1.4
333.20807	0.9
379.12238	2.0
397.13470	27.1
415.14548	10.9
458.11151	0.7
460.48648	0.6
671.32916	1.2
689.33752	1.4
709.98590	0.6
942.65820	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5631
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99833	0.3
69.03461	1.9
71.01381	20.3
72.99303	1.9
73.02934	2.7
73.52325	0.3
80.28223	0.3
81.03461	1.4
83.01392	2.4
83.05033	0.7
85.02948	4.4
86.00119	0.3
87.00883	4.6
87.04558	0.3
89.02447	16.3
95.01402	1.9
97.02947	4.2
97.06567	0.7
98.20706	1.0
99.00884	1.3
101.02442	15.1
109.02982	0.4
109.06576	0.6
111.00875	0.5
111.04495	0.4
111.08160	10.3
113.02452	8.7
115.04014	0.3
119.03503	4.8
119.71886	0.3
121.02978	0.3
123.04498	0.5
125.02439	6.7
125.09680	0.5
127.07674	1.2
131.03511	1.0
143.03482	2.4
149.04567	0.5
151.11226	0.7
153.09174	0.5
153.12837	1.1
161.04507	3.7
165.12813	0.7
167.03444	0.4
167.10773	0.4
169.12321	4.5
171.10228	0.9
179.05634	4.9
179.10739	0.3
181.12372	1.5
183.13901	1.0
185.04501	0.3
193.12314	0.5
197.11819	48.9
198.12199	1.2
199.06119	0.4
199.13416	2.5
209.11775	0.5
211.13377	7.0
217.07141	0.5
221.06613	2.6
221.11975	0.3
225.15024	0.5
227.12831	1.4
229.65755	0.4
235.08212	5.5
245.06551	0.4
247.16879	0.3
247.20686	0.7
251.16541	0.6
253.09131	1.5
263.07709	0.9
263.20099	2.9
265.18073	1.4
273.18625	1.0
277.21707	46.6
278.22049	1.9
287.07721	1.8
291.19650	21.0
292.19995	0.5
305.08740	2.8
309.20694	100.0
310.21039	3.5
323.09781	1.2
333.20804	0.7
379.12512	3.5
397.13492	43.9
398.13806	1.5
415.14557	15.9
416.14963	0.6
419.74979	0.4
519.80084	0.4
569.42072	0.9
577.25360	0.5
675.35699	1.8
689.33832	2.8
707.34955	2.3
867.51971	0.3
939.32623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	0.2
71.01356	0.1
83.05031	0.2
96.96012	0.3
98.19948	0.3
111.08166	1.3
143.27788	0.1
163.11316	0.3
165.12836	22.7
166.13158	0.5
181.12358	0.4
183.13889	93.1
184.14230	2.7
191.10796	0.3
209.11819	7.3
210.12218	0.3
227.12872	100.0
228.13202	2.9
253.09151	0.2
445.20657	0.5
685.90979	0.2
689.43140	0.2
894.69177	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	965.5478
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03450	0.9
71.01373	14.2
71.52657	1.2
72.99302	1.2
73.02946	2.3
78.95906	1.0
83.01389	1.1
84.98566	0.8
85.02945	2.6
87.00866	3.4
89.02441	15.1
95.01382	1.4
95.05009	1.0
95.41589	0.9
97.02939	2.3
101.02439	10.3
111.08155	7.6
113.02456	6.7
119.03503	3.1
125.02428	3.7
126.37907	0.7
128.57639	0.7
143.03500	1.6
149.04539	0.7
161.04562	2.6
167.10751	2.8
171.10243	0.8
177.12871	1.2
179.05618	5.0
179.10756	0.9
195.09929	0.8
195.13911	10.7
196.14409	1.0
205.12411	0.8
205.16129	0.9
221.06572	1.8
223.13385	5.0
228.13527	1.0
235.08154	3.0
247.20670	2.7
255.23251	0.8
256.13034	1.1
273.18637	1.7
275.20163	3.7
291.19638	86.7
292.20007	2.7
293.21201	100.0
294.21494	4.3
353.20984	0.7
379.12268	2.9
397.13470	33.6
398.14032	0.8
415.14563	12.3
417.69177	0.7
429.25073	0.8
473.01117	0.9
671.32953	5.2
672.33832	0.8
673.34094	1.7
689.33942	10.9
691.35693	4.0
965.54376	3.6
1000.93866	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5629
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	0.5
71.01380	7.6
71.52451	0.1
71.52811	0.1
71.53156	0.1
72.99305	0.7
73.02560	0.1
73.02944	1.0
75.00863	0.1
81.03448	0.3
83.01388	0.6
83.04982	0.1
85.02465	0.1
85.02947	1.7
86.00090	0.1
87.00870	1.6
89.02444	5.8
91.04001	0.1
95.01385	0.6
95.05038	0.1
96.96007	0.2
97.02950	0.9
97.06625	0.1
99.00887	0.5
101.02440	5.4
109.06595	0.1
111.00855	0.2
111.04481	0.2
111.08128	0.2
113.02444	2.7
113.09722	0.3
119.03499	1.6
121.02954	0.1
125.02446	2.0
131.03453	0.3
133.05057	0.1
139.04007	0.1
141.01895	0.2
141.09224	0.1
141.55428	0.1
143.03491	1.0
145.05101	0.1
149.04489	0.2
151.45694	0.1
159.02979	0.1
161.04562	1.3
166.13367	0.1
167.03482	0.1
167.10767	0.2
169.12346	0.1
171.10269	0.3
177.12808	0.2
179.05606	1.8
179.10791	0.1
179.14365	0.7
181.12392	0.2
185.04489	0.2
194.28156	0.1
195.13889	7.9
196.14389	0.4
205.12329	0.7
205.15932	0.4
211.13414	0.5
221.06615	0.8
223.13376	5.5
224.13968	0.3
225.14929	0.4
228.13635	0.8
231.21165	0.4
235.08209	2.1
237.95036	0.1
249.11055	0.2
249.22044	0.2
253.09312	0.5
256.13126	1.1
263.07733	0.2
265.21722	0.5
275.20135	4.9
276.20541	0.2
287.07745	0.5
293.21207	100.0
294.18164	0.2
294.21521	3.8
305.08759	0.6
309.20801	0.1
317.21185	0.3
323.09787	0.4
335.22171	0.1
335.32291	0.1
341.10489	0.1
379.12396	0.9
397.13486	16.8
398.13696	0.4
415.14548	10.4
416.14505	0.1
569.42133	1.5
581.29468	0.1
636.26825	0.2
654.27081	0.4
673.34381	1.4
691.35339	3.3
692.36377	0.2
930.48462	0.2
967.55737	0.1
991.66772	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	963.5895
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	2.3
70.14910	0.6
71.01379	18.6
71.43810	0.7
72.99295	1.7
73.02930	2.8
75.00878	0.6
76.03755	0.8
83.01382	2.1
85.02943	9.5
87.00876	3.3
89.02443	13.7
95.01381	2.1
97.02953	3.8
97.06586	1.7
99.00845	0.9
101.02440	12.7
106.84652	0.6
113.02454	7.6
119.03522	3.1
125.02453	5.4
125.09704	1.0
125.88525	0.6
127.11240	0.8
137.09708	1.5
143.03482	1.7
161.04529	2.8
167.14395	0.6
171.10268	20.4
179.05580	2.8
183.13901	1.8
201.11285	1.0
209.11778	1.7
211.13387	8.9
221.06630	0.8
221.11812	1.8
227.12946	0.7
229.14468	5.7
235.08267	4.4
239.12794	1.4
253.09328	0.8
255.23280	35.7
256.23672	0.8
263.07428	0.8
277.21564	0.7
287.07654	0.8
291.19635	3.0
305.08521	1.7
305.17560	0.8
309.20724	7.8
323.09857	0.8
327.21747	100.0
328.22119	3.4
340.00018	0.7
379.12335	0.9
397.13486	55.7
398.13956	2.3
415.14554	15.6
565.44623	1.9
653.37494	7.2
707.34778	8.4
725.36200	3.7
779.24683	0.7
921.99701	0.8
963.60468	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	965.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03471	2.0
71.01377	43.1
71.53176	1.7
72.99287	1.3
73.02942	5.3
80.02668	2.6
81.03435	4.0
83.01382	3.2
83.05025	7.0
84.02118	1.5
85.02942	6.0
86.44804	1.3
87.00867	5.8
89.02441	22.0
95.05016	3.9
97.02933	7.2
97.06586	3.3
99.00854	2.9
101.02425	17.1
109.06588	5.0
111.04522	2.0
111.08182	1.6
111.34837	1.4
113.02420	10.0
116.92844	1.9
117.01917	1.2
119.03474	7.4
122.31310	1.2
123.04469	3.0
125.02421	8.0
125.09715	5.7
135.08191	2.0
137.09705	1.8
143.03455	2.6
151.11272	1.9
161.04475	4.8
163.11325	14.6
165.12834	3.3
171.10277	14.4
179.05621	8.9
181.12357	3.5
185.11737	4.0
191.10765	2.7
191.14392	3.2
197.11807	6.2
199.13393	1.7
201.11290	8.0
207.10204	17.3
209.11812	100.0
210.12227	3.5
211.13359	3.9
221.06624	4.8
223.13313	1.6
225.11307	27.2
227.12843	12.4
235.08195	4.5
243.12299	5.1
245.19019	7.6
253.09195	2.3
289.18091	18.8
291.19681	12.3
307.19116	18.4
309.20670	31.9
341.22946	1.8
379.12683	2.2
397.13525	31.9
405.78418	1.5
415.14651	11.9
623.25354	5.3
657.97876	1.6
915.46094	6.4
916.46515	2.0
998.04108	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	958.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93150	100.0
71.01374	29.3
75.00876	56.0
76.92638	18.6
82.36326	21.0
82.55848	19.1
84.51212	19.0
88.98828	22.1
89.12222	21.4
91.23232	18.7
219.90477	23.8
261.46524	22.3
519.19147	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	960.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87743	100.0
71.01373	48.6
75.45786	23.7
83.91695	20.3
88.98809	45.9
89.02454	33.2
113.51648	19.0
120.81199	19.6
153.52333	18.5
170.80786	20.7
171.10307	18.8
211.13385	31.1
223.13356	59.5
224.13635	32.9
293.21234	45.7
294.21558	40.1
295.21927	33.7
397.13257	45.2
610.24451	21.2
651.30652	23.3
824.14240	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	961.5373
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	1.2
69.23393	6.3
71.01378	18.0
72.99310	1.6
73.02939	2.0
83.01369	2.0
85.02944	3.7
87.00883	5.1
89.02446	15.8
91.56023	0.9
95.01371	1.6
96.95995	2.2
97.02947	2.3
99.00890	1.4
99.06229	0.6
101.02443	14.4
103.04057	0.7
113.02442	5.8
119.03500	4.1
125.02451	6.6
131.03520	0.8
136.89139	1.3
137.02417	0.8
143.03523	2.1
146.86800	0.7
161.04538	3.8
179.05606	4.6
181.12518	0.9
183.13910	7.1
193.12314	2.1
211.13379	100.0
212.13664	2.9
212.95213	0.8
214.17188	0.7
217.07161	0.9
221.06615	2.0
235.08141	5.3
235.61548	0.7
253.09149	1.4
255.23409	0.8
275.20386	0.7
277.21695	64.5
278.22028	2.4
279.85474	0.7
287.07751	1.8
301.09290	0.8
305.08734	2.9
323.09900	1.5
349.37451	0.7
379.07523	1.0
379.12418	17.9
397.13458	46.1
398.13785	1.4
415.14590	8.3
583.77728	0.7
591.26508	11.8
592.26093	0.8
609.27557	8.2
657.34778	4.5
675.36060	8.2
761.01318	1.0
809.63947	0.8
869.49213	3.3
990.45819	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5377
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03482	1.3
70.35233	1.9
71.01376	12.9
73.02937	2.1
75.00842	0.6
78.32107	0.7
81.03489	0.7
83.01389	2.1
85.02937	3.1
87.00890	2.9
89.02442	13.0
95.01382	1.4
97.02955	2.1
100.58787	0.5
101.02435	11.6
107.16183	0.6
113.02447	5.7
115.22002	0.6
119.03507	3.5
125.02452	5.4
136.89149	1.3
137.67990	0.5
139.03999	0.8
141.01729	3.4
143.03503	1.9
161.04556	3.9
167.14398	1.0
179.05588	3.7
183.13878	7.3
193.12349	1.9
198.26924	0.6
211.13380	100.0
212.13707	2.5
217.07158	1.2
221.06609	1.2
235.08258	3.8
245.06572	0.8
253.09538	0.7
259.08289	1.1
277.21704	47.0
278.22025	2.1
287.07745	2.0
305.08713	2.3
323.09851	2.0
379.08029	1.0
379.12454	12.3
390.98450	0.7
397.13486	36.1
398.13660	0.8
415.14453	7.0
440.60211	0.6
591.26587	12.5
592.27625	0.7
609.27509	10.6
609.36798	0.9
657.34546	3.8
675.35931	4.3
869.48993	2.7
870.51300	0.7
943.69879	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38514	100.0
69.38927	42.5
71.01374	37.2
71.68154	16.1
98.20662	37.0
105.58678	18.9
112.47440	19.1
121.11324	19.4
125.02425	20.3
148.45979	19.1
149.78278	18.2
209.11765	44.5
210.12138	33.0
269.08258	19.9
341.28183	18.1
352.47263	17.9
472.61081	17.4
904.64862	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	949.6102
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	1.2
71.01379	14.7
72.99313	0.7
73.02940	3.4
81.03439	0.7
83.01368	1.9
85.02505	0.6
85.02934	3.0
87.00887	3.0
89.02445	12.7
95.01371	1.5
96.96004	3.5
97.02943	2.3
101.02449	10.7
111.04543	0.7
113.02438	5.8
113.09692	1.0
119.03474	3.6
125.02444	5.3
131.03503	0.8
143.03514	1.7
161.04544	2.2
171.10358	0.8
179.05588	2.6
179.14436	0.9
181.12338	0.7
195.13895	14.9
221.06689	0.9
235.08212	6.9
253.09369	1.0
255.23271	33.2
256.23596	2.3
275.17136	0.7
277.18866	1.1
277.21701	12.4
278.22229	1.3
287.07681	2.1
295.22763	100.0
296.23001	3.6
305.08780	2.7
397.13486	64.2
398.13910	2.3
415.14563	18.6
524.10718	0.7
622.83838	0.8
653.37463	9.4
686.65112	0.7
887.42426	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
68.81418	0.1
69.03461	0.2
69.88904	0.6
72.99294	0.3
73.01441	0.2
73.02946	3.2
74.28925	0.2
83.01374	1.1
85.02946	0.7
87.00871	0.3
89.02450	1.0
95.01403	0.2
97.02925	0.2
98.19876	0.2
101.02439	3.1
107.01384	0.3
113.02460	1.2
119.03497	0.5
125.02464	0.2
131.03474	0.3
133.02986	0.3
134.03700	0.3
143.03508	0.4
149.04524	0.5
150.03252	0.2
151.00365	0.7
161.04610	0.8
200.04758	0.3
201.61031	0.1
211.04074	0.3
221.06473	0.2
227.03488	0.4
228.04202	0.2
255.02905	1.2
256.03665	1.7
268.03754	0.2
269.04333	0.2
283.02563	0.7
284.03238	87.9
285.03635	3.8
297.04071	0.7
299.05582	100.0
300.05923	4.9
607.16656	41.2
608.16986	3.4
610.65228	0.2
653.14874	0.2
653.40918	0.2
751.57825	0.2
866.56409	0.2
870.72919	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.506
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01883	0.4
68.09496	0.3
68.95065	0.4
68.99822	2.3
69.03460	0.9
71.01381	26.4
71.08494	0.8
71.13369	0.5
71.65166	0.3
72.99303	3.5
73.02556	0.6
73.02944	8.5
75.00871	11.3
79.15817	0.4
81.03453	0.4
83.01404	3.1
85.02949	23.9
86.00101	2.3
87.00876	10.2
87.04507	3.3
88.98762	0.5
89.02449	7.1
95.01395	5.3
97.02930	1.0
99.00880	14.7
99.01537	0.8
99.04537	0.4
101.01799	0.7
101.02439	11.5
103.03988	1.7
109.02930	0.5
112.01662	1.1
113.02449	15.8
115.00404	0.7
115.04003	2.8
116.68899	0.4
119.03516	1.9
119.04996	0.4
125.02420	1.0
131.03506	6.2
139.00339	1.5
143.03490	6.5
145.05049	1.2
149.02339	0.4
157.01363	1.4
159.03018	0.4
161.04549	1.0
163.06129	2.1
165.05492	0.4
205.07133	3.6
345.95139	0.4
367.97623	0.4
453.33713	0.5
473.36258	0.5
521.18042	0.4
631.38684	0.5
939.49976	0.8
957.50562	100.0
958.50989	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	946.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73605	19.8
69.74020	12.5
71.01373	15.2
78.69000	4.8
87.00845	7.8
89.02431	10.4
98.19846	5.0
99.00875	6.5
101.02436	9.4
103.27607	5.7
104.37947	5.7
113.02393	6.6
119.03468	7.3
125.02424	7.6
161.04491	6.9
163.11200	5.4
207.10353	8.2
209.11827	100.0
210.12138	28.5
212.10178	6.2
225.11243	15.7
226.11610	6.9
227.12875	12.0
230.12038	5.8
277.21677	55.1
278.22025	23.7
397.13525	30.6
418.25931	5.7
429.09726	5.5
607.26306	6.2
886.47510	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	949.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	2.1
71.01380	18.1
71.52975	1.0
72.99316	1.4
73.02941	2.9
80.02660	1.0
81.03458	2.8
83.01375	1.6
83.05025	5.9
84.02163	1.0
85.02959	3.8
87.00881	4.5
89.02449	14.1
95.01381	1.6
95.05019	1.3
96.96021	1.2
97.02948	4.4
97.06576	1.1
99.00854	1.1
101.02439	12.0
109.06607	1.1
111.08154	5.4
113.02463	7.4
119.03484	3.6
125.02450	5.8
129.01910	1.0
141.67583	0.7
143.03490	2.2
149.92894	1.0
153.12749	1.0
161.04604	3.9
163.11278	6.1
165.12817	4.8
169.12363	3.5
171.10258	4.6
177.12531	0.7
179.05579	5.4
181.12332	1.9
191.10780	1.2
193.12379	0.9
197.11824	23.8
198.12112	1.0
199.13281	1.6
199.88155	0.7
207.10219	1.9
209.11816	100.0
210.12158	3.3
211.13356	4.7
217.07249	0.7
221.06659	1.9
225.11266	1.7
227.12875	14.3
228.13348	0.9
235.08191	4.6
247.20601	1.2
253.09329	1.1
263.07648	1.0
263.20206	0.8
287.07776	1.3
289.18021	4.6
291.19614	18.2
292.20078	1.5
305.08768	2.5
307.19189	2.0
309.20697	82.4
310.21198	3.7
323.09738	1.8
379.12546	4.6
397.13489	41.9
398.14017	0.8
415.14612	14.3
416.15115	1.2
501.32455	1.3
589.24939	1.3
607.26074	5.5
689.33972	3.8
707.35620	3.8
859.45428	0.8
899.47418	1.0
904.50116	0.8
949.47583	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	1.2
71.01379	16.0
71.05029	1.6
73.02940	2.4
75.00861	1.4
81.03446	1.7
81.79511	1.2
83.01390	2.2
83.05030	1.6
85.02943	5.3
87.00861	6.0
88.98808	1.8
89.02448	6.8
92.63422	1.0
92.86146	1.1
95.01403	1.8
97.02953	11.1
97.06570	2.1
99.00880	18.2
100.63971	1.0
101.02448	7.5
109.02872	1.0
109.06612	1.8
113.02486	5.6
117.25105	1.1
119.03513	1.8
123.08154	1.7
123.28607	1.1
125.02424	6.7
125.09750	6.1
135.08157	2.5
136.05287	1.8
138.15785	1.0
142.02692	1.5
143.03392	1.1
163.11279	10.9
181.12346	18.4
199.13394	4.1
203.05643	1.0
207.10257	57.7
208.10593	2.2
221.06564	1.5
221.70659	1.0
223.13281	1.5
225.11308	88.5
226.11581	3.0
229.42935	1.3
235.08221	2.7
243.12366	30.9
263.07654	1.4
277.21701	44.4
278.22144	2.5
317.16028	3.3
358.58551	1.3
379.12555	2.2
397.13501	7.6
605.24384	28.0
606.24725	3.0
623.25537	25.2
624.25751	2.3
666.16571	1.1
883.46912	100.0
884.47119	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	944.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
66.43715	16.8
70.58586	47.4
71.01392	44.5
88.08829	15.9
89.02441	25.9
96.84129	15.5
114.31895	16.4
121.19202	17.4
140.02165	15.7
146.85455	15.4
184.86530	17.1
223.13358	100.0
224.13705	84.1
225.14221	23.3
277.21576	54.5
278.22052	39.6
279.22372	40.2
280.26114	20.1
307.41748	18.8
398.13699	37.5
399.14188	28.7
505.92245	17.7
509.31146	17.5
604.63477	16.9
741.95258	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03406	3.3
70.74712	1.2
71.01382	19.2
72.99313	1.8
73.02940	3.4
75.00887	0.7
75.64312	0.4
77.36208	0.4
81.03446	0.9
83.01377	2.2
83.05023	0.5
85.02956	5.2
85.06583	0.5
87.00881	4.1
89.02442	15.2
95.01376	2.2
97.02947	3.3
99.00896	1.4
101.01800	0.8
101.02447	14.8
108.14967	0.4
109.06555	0.9
111.04527	0.9
111.08091	0.6
113.02436	9.4
116.92861	1.9
118.18872	0.5
119.03502	3.4
125.02456	6.1
128.49011	0.5
131.03493	0.9
133.05084	0.9
139.04001	0.8
141.01996	0.8
143.03487	2.8
149.04553	0.6
161.04579	3.9
161.13240	0.5
167.03481	0.7
167.10782	3.9
179.05600	5.5
179.10732	1.6
179.14409	3.2
181.58763	0.5
195.13872	10.6
205.12340	10.6
217.07239	1.0
221.06709	1.4
223.13379	100.0
224.13721	2.5
235.08199	5.7
253.09140	0.8
259.08328	0.6
263.07721	0.8
277.21707	63.9
278.22092	3.2
287.07706	1.6
291.29886	0.5
305.08734	2.1
323.09842	1.9
341.10651	0.7
379.12405	10.7
397.13486	45.3
398.13733	1.6
415.14539	8.7
603.26544	15.7
604.27094	1.2
621.27576	14.7
628.22601	0.5
657.34753	2.4
675.35809	4.4
766.60651	0.5
881.48871	6.3
882.48657	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.49
Annotation	Unknow
Peak:m/z	Relative Intensity
68.32028	1.6
68.84181	1.6
69.03492	1.8
69.62063	1.4
71.01379	16.4
71.05017	2.0
71.52635	2.9
73.02956	2.4
85.02950	4.3
87.00874	5.5
89.02446	9.1
95.01341	1.6
97.02950	9.3
97.06618	1.9
99.00893	18.3
99.32767	1.5
101.02427	9.7
105.01890	1.5
113.02431	5.6
116.43687	1.4
119.03481	1.9
125.02428	4.5
125.09698	7.3
128.42589	1.7
135.08083	1.9
136.05324	2.0
163.11244	9.3
173.39635	1.8
181.12306	17.7
183.93518	1.9
199.13423	2.7
207.10248	52.8
208.10585	2.4
225.11302	71.8
226.11787	2.7
235.08330	3.2
243.12364	20.1
277.21707	52.0
278.22009	2.4
397.13535	8.1
605.24384	16.0
623.25702	8.6
637.96863	2.3
759.43359	2.0
883.46899	100.0
884.46576	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	933.5079
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	0.6
71.08389	0.5
96.96020	1.5
99.68098	0.3
101.02448	0.3
111.08160	1.4
157.40546	0.3
165.12836	22.1
166.13228	0.7
171.10310	0.4
172.60034	0.3
183.13890	97.2
184.14221	3.7
189.90497	0.3
207.10214	0.4
209.11813	7.6
227.12872	100.0
228.13193	3.5
398.96515	0.3
418.05814	0.3
459.92450	0.3
889.43341	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.426
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71969	10.5
71.01383	8.8
72.99302	2.5
73.02974	2.3
83.05021	3.5
85.02959	4.5
87.00893	2.8
89.02435	5.5
90.02210	2.3
96.95988	7.6
98.19990	4.1
99.00905	2.7
101.02430	8.1
113.02447	5.1
125.02418	5.1
163.03989	3.6
163.11298	2.8
165.05550	2.6
183.13988	3.5
209.11813	100.0
209.13814	4.9
210.12094	4.2
227.12885	23.0
254.05862	2.8
269.08099	3.0
327.21722	5.2
379.12390	8.9
397.13501	25.3
415.14566	5.2
589.24915	21.5
607.26355	16.0
711.35773	2.6
799.36890	10.0
835.39331	7.8
935.42639	47.5
936.42993	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	941.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01883	0.5
68.37945	0.3
68.99820	1.6
69.03447	1.3
71.00507	0.7
71.01379	27.6
71.27697	0.2
72.99312	2.7
73.02942	8.8
75.00871	12.5
81.03437	0.6
81.32798	0.3
83.01385	3.0
85.02946	25.7
86.00103	1.6
87.00871	10.2
87.04514	3.7
87.80914	0.2
89.01937	0.5
89.02448	6.3
95.01387	4.9
97.02937	0.7
99.00880	14.6
99.04494	0.5
101.02439	11.1
101.03112	0.5
103.04012	1.8
111.00896	0.4
112.01640	1.0
113.02448	14.5
115.00386	0.3
115.04012	3.9
119.03497	1.6
125.02406	0.6
129.01921	0.5
130.22459	0.3
131.03494	5.3
139.00372	1.5
143.03485	6.1
145.05031	1.0
157.01375	1.1
161.04549	0.9
163.06113	1.6
205.07138	2.9
209.04317	0.3
219.20447	0.3
247.08293	0.3
264.49835	0.3
391.29846	0.3
416.51965	0.3
437.34286	0.4
457.36707	0.8
615.38751	0.3
767.78381	0.3
923.50183	0.9
924.50281	0.3
941.51093	100.0
942.51300	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	926.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
71.91991	24.2
85.84793	31.5
98.19911	100.0
140.13728	26.8
161.76804	31.5
209.11758	61.2
255.23228	41.0
434.13135	28.2
536.94379	27.5
567.30884	33.7
600.27667	41.1
634.00128	29.5
636.55835	31.1
783.94366	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	927.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
70.53747	0.7
70.54089	1.3
71.01369	1.7
75.00866	1.6
79.79275	0.6
80.22923	0.5
81.68896	0.5
82.71094	0.7
82.93096	0.6
83.01385	0.7
85.02943	0.9
87.00887	0.9
101.02463	1.0
107.67916	0.5
113.02454	1.9
125.02390	0.6
139.07619	1.9
150.03238	0.9
152.04994	0.6
160.01505	0.6
165.05553	0.7
205.12321	0.7
209.11784	1.8
252.55582	0.6
260.38202	0.6
268.03732	28.8
269.04099	2.3
279.12369	1.0
283.06100	100.0
284.06396	5.6
299.74484	0.6
329.13901	2.4
359.14996	0.7
481.09000	14.8
481.22958	6.0
482.09482	1.2
647.48999	0.6
722.47314	0.7
875.72583	0.8
915.74249	0.7
927.35663	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	3.6
69.99727	7.1
70.00143	8.6
71.01381	93.8
72.99297	6.0
73.02939	7.2
78.95889	4.5
79.95708	4.8
81.03449	3.3
83.01387	5.7
83.05034	9.1
85.02956	14.7
85.82848	2.9
86.56030	2.9
87.00880	10.2
89.02448	32.6
95.01390	5.4
95.05080	3.6
96.96008	100.0
97.02943	12.4
98.20564	3.4
99.00890	8.6
101.02438	35.2
109.06599	8.7
111.04471	2.8
111.08173	8.0
113.02429	17.2
119.03509	8.4
125.02457	16.0
125.09744	12.6
127.11265	3.7
140.14883	3.1
143.03493	5.7
151.11188	3.8
161.04512	5.5
163.11298	17.2
165.12816	10.7
169.12297	5.3
171.10278	48.7
179.05632	12.1
179.10831	3.7
181.12332	10.4
185.11836	7.1
195.10109	3.1
197.11803	22.5
199.13354	6.1
201.11298	39.8
207.10228	36.1
209.11824	89.2
210.12131	6.4
211.13377	12.9
215.12836	7.3
221.06685	5.5
225.11279	57.1
227.12897	15.7
235.08240	7.2
243.12383	8.9
245.19041	6.1
253.09120	3.9
263.20193	3.5
289.18021	18.0
291.19611	37.3
293.21237	3.7
307.19086	18.9
308.19418	2.8
309.20715	98.3
310.20993	3.7
336.27966	2.7
341.23407	12.3
354.42032	4.1
379.12531	5.8
397.13504	68.2
415.14651	25.6
439.14297	6.4
457.15909	3.5
605.24463	7.6
623.26038	14.3
915.45306	16.0
933.46143	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
68.11471	18.0
71.52452	23.1
73.87072	16.8
78.64378	21.0
90.48318	21.2
116.92883	32.1
145.02971	21.0
161.71895	19.4
209.11804	100.0
210.12247	34.4
225.11343	45.5
226.11421	21.4
255.23160	94.1
256.23596	60.3
257.23865	25.6
398.13379	26.2
863.49194	28.0
864.48798	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	15.1
72.99274	1.3
73.02930	1.4
83.01363	1.6
85.02936	4.1
87.00871	4.5
89.02442	8.4
97.02956	8.5
99.00881	16.9
101.02436	8.4
107.75587	1.4
113.02444	5.2
116.92822	4.4
117.03449	3.0
119.03465	2.0
119.05017	3.1
124.38786	1.1
125.02421	5.2
125.09705	4.6
125.70701	1.3
133.96184	1.2
142.02693	2.1
145.02939	11.4
163.03947	2.1
163.11263	5.9
181.12357	12.9
199.13400	2.4
204.43694	1.6
207.10248	38.9
209.11784	5.0
225.11308	60.7
226.11632	1.9
235.08160	2.3
243.12350	19.2
244.12483	1.2
255.23288	50.7
256.23434	1.8
281.24805	2.8
379.12222	2.8
397.13428	10.6
605.24414	18.1
623.25702	6.4
727.17346	1.3
861.48456	100.0
862.48834	11.6
921.53241	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	923.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	0.3
71.53475	0.3
83.05045	0.4
86.98711	0.2
101.02422	0.6
102.38213	0.2
103.77320	0.2
133.07549	0.2
133.92987	0.2
137.09717	8.2
145.02945	0.3
155.10771	100.0
156.11105	2.8
157.31715	0.2
175.04062	0.4
181.08667	1.2
199.09738	98.2
200.10104	2.7
255.06750	0.3
268.03738	16.0
269.04190	0.6
283.06094	30.9
284.06488	1.9
325.07147	0.5
337.09079	0.3
457.11255	0.5
560.55786	0.3
697.25702	0.4
723.21338	3.7
724.21826	0.5
791.72528	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	1.7
71.01380	100.0
71.53539	1.5
72.99281	2.0
73.02943	4.9
78.95868	1.5
80.96472	1.8
83.01382	2.4
85.02950	6.1
87.00881	5.7
89.02443	18.2
89.35411	1.6
97.02943	5.8
99.00922	4.0
101.02440	18.7
109.06590	5.6
113.02460	10.3
118.12900	1.4
119.03500	6.6
124.84559	1.5
125.02460	8.5
125.09740	3.1
127.11276	2.0
143.03503	3.9
155.10815	2.3
161.04567	4.4
163.11252	4.3
171.10266	53.3
179.05609	5.3
199.09789	13.4
201.11327	16.0
207.10237	26.1
215.12851	1.7
221.06683	1.5
225.11256	14.8
235.08197	8.7
235.46086	2.0
243.12422	2.3
253.09193	2.5
277.21704	72.4
278.22034	6.0
305.08734	2.3
379.12390	5.7
397.13464	52.4
405.22385	3.0
415.14490	9.3
623.25208	2.9
663.90442	1.6
857.45569	4.7
883.46533	13.5
884.47668	3.5
892.38281	2.0
901.48199	3.6
919.48700	15.3
932.87610	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	3.4
71.01379	72.8
72.01716	3.6
72.99302	2.3
73.02943	100.0
74.03279	4.5
74.80972	0.6
75.00873	2.2
75.03343	0.8
81.03440	1.1
81.86719	0.6
83.01383	30.4
84.01720	1.6
85.02945	11.3
86.03281	0.6
87.00871	3.5
89.02435	17.9
90.02748	0.9
95.01381	5.3
97.02384	0.7
97.02956	2.2
98.20673	1.3
98.79538	0.5
99.00890	1.0
101.02439	95.9
102.02777	4.8
103.02856	1.3
113.02450	38.4
114.02837	3.0
115.02886	0.5
119.03493	12.5
120.03852	1.0
125.02438	4.4
131.03499	10.7
132.03911	0.6
143.03491	12.5
144.03810	1.3
147.03006	0.7
149.04546	23.4
150.04915	1.9
151.05006	0.7
153.01982	1.6
155.03487	3.4
161.04547	38.9
162.04868	3.8
163.05141	1.0
166.02710	1.1
166.05042	1.4
167.05443	0.7
179.05598	1.7
181.01436	4.4
181.05009	4.9
196.03726	4.1
203.05617	5.2
204.05919	1.0
211.06107	8.2
212.06462	0.9
220.10442	0.6
221.06654	14.3
221.10294	0.5
222.07027	1.8
229.29254	0.6
255.02908	4.7
256.03690	2.0
269.04568	0.9
279.27747	0.6
283.02481	3.3
284.03238	52.7
285.03592	2.8
297.03992	2.3
298.04730	2.0
299.05582	89.9
300.05893	5.8
314.73660	0.6
317.82248	0.6
341.06494	1.1
415.23300	4.8
416.23538	1.9
417.24054	1.1
446.08401	1.0
461.04898	1.0
461.10883	12.8
462.11258	1.2
710.33588	0.6
894.30670	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00325	0.4
71.01376	0.8
71.05035	0.4
72.99304	0.6
73.02953	0.7
75.00872	6.5
81.03455	0.9
81.62589	0.2
83.01369	0.4
87.00874	0.5
93.03442	0.3
97.02952	0.5
98.19755	0.4
99.00880	0.5
99.04510	0.5
103.80875	0.2
107.01405	0.9
107.58978	0.2
109.02946	0.5
113.02447	0.3
113.24541	0.3
117.02502	0.2
119.05025	5.2
121.02943	0.4
125.02419	0.8
133.02957	2.5
143.03513	1.2
145.02872	0.2
147.84171	0.2
149.02441	0.9
151.00349	2.4
161.04553	2.9
162.07605	0.2
162.42500	0.2
163.03999	5.7
175.04016	1.6
179.05600	21.1
180.05890	0.3
185.06020	0.4
199.03966	1.6
201.01868	0.4
211.03891	0.4
213.05536	0.3
217.05046	0.8
219.21449	0.2
227.03360	0.3
241.05046	0.7
243.02954	0.5
256.03760	0.8
267.02829	0.3
284.03256	12.4
285.04016	100.0
286.04352	5.5
325.09256	15.3
326.09702	0.6
327.05115	0.5
356.64264	0.3
593.15063	88.2
594.15399	7.3
867.39941	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01366	14.9
71.52774	8.1
72.81754	7.4
75.30433	6.9
77.73048	7.2
89.93269	8.5
96.96000	21.7
108.02193	7.3
109.46405	7.7
142.29071	8.0
155.61571	7.1
166.46957	8.4
171.10405	8.3
293.21164	100.0
294.21591	43.0
295.16025	7.7
360.61182	7.8
634.08069	9.0
688.72906	9.2
740.95313	10.5
752.93097	9.6
790.46735	9.5
918.46490	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	918.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
65.80151	7.1
71.01379	100.0
71.53352	12.5
72.01745	7.3
72.99284	7.7
73.02944	7.3
85.02968	11.1
87.00922	8.8
89.02435	45.5
96.96031	11.5
97.02948	10.3
101.02433	18.5
113.02438	22.0
125.02446	20.2
137.43384	7.8
140.29822	6.3
143.03506	10.8
161.04532	10.4
163.11293	8.5
164.11768	7.4
171.10265	61.8
179.05612	12.7
195.13901	15.1
197.11790	7.6
199.13503	9.3
201.11310	22.2
207.10237	25.2
208.10568	10.8
209.11818	53.0
210.12161	21.0
211.13333	15.0
225.11324	44.2
226.11664	11.7
227.12878	16.7
233.63103	7.5
289.18118	15.4
291.19672	24.2
292.19913	13.4
293.21127	58.4
294.21530	37.9
307.18991	16.4
309.20767	12.9
310.20920	13.3
327.21671	9.0
328.21570	7.6
380.12546	7.8
397.13342	58.9
398.13663	12.0
415.14505	27.2
624.26074	13.3
900.46930	15.8
918.48041	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	914.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99560	100.0
71.53260	70.2
72.99297	38.9
76.19640	33.5
112.98559	76.5
117.31238	37.8
133.33113	43.6
134.20627	41.8
209.11653	52.6
209.21318	36.3
255.23204	49.9
263.50110	44.9
277.21817	53.6
278.22238	66.4
280.81113	36.9
397.13181	82.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01405	90.9
75.00888	48.7
80.96532	72.1
89.02442	63.2
94.98076	37.4
96.95987	68.3
112.13120	36.9
113.12543	35.9
135.03082	41.9
170.70978	40.5
199.69443	38.6
209.11745	100.0
229.17413	43.9
233.19279	47.9
233.69594	34.9
277.21786	85.6
311.55695	38.1
335.47943	43.4
397.13431	81.8
447.06680	36.3
921.49567	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
70.70560	22.8
71.01377	24.5
73.28116	6.6
75.44263	6.1
78.95887	8.0
79.95708	7.3
83.80892	6.3
89.02441	19.9
90.72292	6.5
94.44862	6.6
94.70064	5.8
101.02444	18.8
113.02453	7.9
179.05551	7.8
193.80693	7.4
207.10222	7.6
223.13371	85.0
238.96733	6.4
255.23174	10.3
277.21771	53.4
341.11337	7.3
379.12509	9.0
397.13525	62.4
406.22607	6.2
415.14600	13.0
603.26379	22.0
621.27435	13.2
881.48022	34.7
917.46729	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	1.8
71.01381	17.1
71.53872	0.6
72.99316	1.0
73.02961	2.1
79.50984	0.4
80.02685	1.3
81.03467	2.4
83.01355	2.3
83.05026	4.7
84.02148	1.1
85.02955	4.0
87.00879	4.0
89.02444	14.0
93.03453	0.5
95.01380	1.0
95.05010	1.2
96.96008	1.7
97.02950	3.6
97.06556	0.7
99.00862	1.4
99.74266	0.5
101.02441	12.4
109.06567	0.9
111.04574	0.6
111.08157	6.6
113.02444	6.0
119.03486	3.6
121.02940	0.8
123.08138	0.7
125.02435	6.1
125.06060	0.8
125.09718	0.6
127.07710	0.7
131.03497	0.9
135.08209	0.8
137.09703	0.8
139.04091	0.4
143.03476	2.4
153.12732	0.5
154.19820	0.4
161.04619	3.6
163.11285	5.5
165.12849	3.8
167.10838	0.6
169.12347	2.6
171.10275	4.2
179.05615	4.5
181.12325	1.6
183.13861	0.8
191.10785	0.8
193.12387	0.8
195.13869	0.5
197.11818	31.5
198.12158	1.1
199.13379	2.9
201.11336	0.7
207.10258	0.8
209.11813	100.0
210.12140	3.8
211.13419	5.3
217.07269	0.6
221.06660	1.2
225.11322	1.3
227.12857	15.3
229.19571	0.4
235.08171	4.6
247.20715	1.4
248.90120	0.5
251.12874	1.0
253.09250	0.8
263.07581	0.5
263.20111	2.0
265.17996	0.6
273.18610	1.4
287.07712	1.8
289.18359	0.5
291.19647	19.0
292.20007	1.0
293.21234	3.0
305.08817	1.5
309.20688	82.9
310.21039	3.8
323.09869	0.8
325.20297	0.7
379.12442	3.6
392.92654	0.4
397.13477	43.4
398.13730	1.4
415.14529	16.3
501.32547	0.6
526.11023	0.4
577.25146	0.7
589.24554	0.7
607.26270	3.0
689.34167	1.7
707.35480	2.3
795.01398	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.428
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00326	0.9
71.01376	33.9
71.53577	0.8
72.99298	1.7
73.02943	11.3
83.01387	5.7
83.05013	1.6
85.02950	13.9
86.00251	0.7
87.00867	2.7
89.01929	1.4
89.02438	16.4
94.84750	0.8
95.01371	3.4
97.02953	1.2
99.00901	3.8
101.02429	24.2
107.01389	1.7
113.01714	1.4
113.02444	16.7
114.60066	0.8
119.03509	7.4
125.02411	5.4
131.03505	1.2
137.02396	0.7
143.03532	3.5
149.02425	1.1
149.04593	0.8
150.03183	4.1
151.00330	4.1
159.03036	1.6
161.03508	1.1
161.04570	12.1
163.11252	1.1
165.05547	1.7
165.12811	1.0
169.12372	1.0
179.05482	1.4
195.06512	1.4
203.05547	1.4
209.11795	43.3
210.12151	1.4
227.12778	5.2
253.09282	6.5
257.11972	0.9
269.04596	1.5
270.05133	2.0
313.16656	5.7
317.01859	1.1
324.02789	0.8
331.17581	33.9
332.17926	1.6
353.06747	1.2
373.18619	100.0
374.19022	5.6
378.07385	1.0
396.08698	1.0
402.22745	0.8
411.10764	12.2
412.10962	1.0
445.20844	2.7
463.21695	1.8
479.55423	0.9
895.25049	5.7
896.25867	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	8.7
71.01381	38.7
71.05011	1.7
71.53516	2.4
71.73550	1.8
72.99296	4.3
73.02940	4.8
75.00882	7.3
76.39181	1.4
81.03468	2.5
83.01379	2.8
83.05022	3.2
85.02946	11.9
87.00882	9.6
89.02439	28.8
95.01371	2.4
95.05022	3.5
97.02947	7.0
97.83325	1.4
99.00861	2.6
101.02437	26.9
109.02953	2.0
109.06582	3.0
110.03726	2.3
111.08173	12.3
113.02449	16.6
119.03510	7.6
125.02425	10.4
128.67673	1.5
131.03490	1.5
136.65541	1.6
143.03506	3.3
161.04547	5.8
167.03532	1.9
167.10774	7.3
171.10233	3.1
177.12830	8.6
179.05675	7.5
179.10767	2.7
179.14386	3.9
193.12277	2.0
195.13907	25.1
197.11842	2.1
205.12314	8.4
209.11739	2.0
211.13383	4.7
221.06705	4.5
221.11803	32.3
223.13385	76.1
224.13687	4.1
235.08295	7.4
239.12872	59.3
247.20680	1.6
263.07672	1.7
273.18655	1.9
275.20184	3.9
277.21686	2.4
287.07693	1.7
291.19656	100.0
292.19919	7.0
293.21198	61.0
294.21564	2.8
309.20630	3.0
323.09601	2.0
325.20175	2.4
379.12518	3.5
397.13489	55.8
398.14194	2.0
412.75546	1.8
415.14532	20.0
487.67484	1.6
619.25916	5.6
621.27618	3.1
637.27667	7.4
913.48315	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	913.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
67.54039	0.7
69.03457	0.7
69.62884	0.5
69.75876	3.6
81.03453	1.6
83.01389	3.1
83.05040	0.9
89.03998	0.7
93.03474	3.8
95.01382	2.0
95.05013	0.9
97.02951	0.9
98.19933	0.8
99.80671	0.7
105.03458	1.1
107.05025	2.0
109.02952	8.9
111.04520	1.5
116.71835	0.6
119.05000	1.0
121.02943	5.4
123.00867	2.9
123.04486	1.7
124.01644	1.9
125.02443	92.7
126.02804	2.5
128.28008	0.6
131.05014	1.7
133.02908	3.7
135.00887	0.8
135.04486	2.5
137.02438	21.1
138.03180	0.9
139.04005	8.4
143.05037	1.2
145.06689	0.7
147.04570	1.5
149.02423	7.9
149.06096	1.1
151.03998	11.2
157.02858	0.8
159.04568	1.7
161.02417	1.9
161.05997	1.2
163.00412	3.1
163.04024	4.2
164.01157	5.4
165.01932	11.5
166.02649	1.2
167.03485	10.5
173.02388	1.0
173.06046	1.1
174.03185	0.9
175.00455	0.9
175.03990	18.3
175.05528	0.9
176.01123	1.7
177.01915	100.0
178.02412	3.0
179.03493	5.7
187.03989	4.4
189.01924	3.4
189.05522	2.0
190.02644	1.3
191.03496	4.5
191.07141	0.8
193.05064	2.2
199.03966	8.0
201.01889	1.2
201.05580	1.7
203.03487	1.9
204.04144	0.9
205.01489	1.4
205.04988	1.6
211.03889	1.5
213.05612	0.7
214.02763	0.9
215.03499	2.0
217.01401	2.4
217.05017	10.4
218.05515	1.0
219.02965	8.2
219.06580	4.2
221.04552	2.3
227.03519	2.0
228.04231	1.2
229.05051	2.7
230.25563	0.7
231.02934	1.6
231.06612	0.7
235.05956	1.1
241.04990	0.8
243.02956	35.2
244.03452	1.3
245.04460	1.3
247.02393	0.9
253.05006	1.2
255.02989	13.7
256.03769	2.2
257.04520	2.6
259.02298	1.0
259.06079	1.8
261.04007	20.3
261.07190	1.3
263.05566	1.3
267.03067	1.4
269.04498	3.3
273.04077	3.6
280.03778	0.7
281.04416	1.1
283.02457	6.7
285.04034	3.8
288.02634	0.8
293.04578	1.8
295.02481	1.8
295.05811	0.8
297.03946	4.0
299.05515	1.0
303.05054	21.7
305.06674	29.8
306.06970	1.9
315.04959	2.8
331.08072	1.1
347.05786	0.7
355.08395	0.8
357.06223	1.4
365.06805	0.7
373.03757	1.2
373.08353	0.7
373.25110	0.8
374.04004	1.5
379.04739	1.2
391.04553	2.9
397.05399	1.0
399.07065	1.6
403.04428	0.9
409.06024	0.8
411.07117	0.9
421.05554	5.3
423.07178	26.8
424.07541	2.3
428.48038	0.7
429.08182	7.1
438.55704	0.7
439.06555	4.1
441.08224	10.8
481.07770	4.4
483.09247	8.0
515.09753	0.9
541.07733	10.0
559.00659	1.0
559.08765	13.0
560.09167	1.3
577.09772	5.3
578.10278	0.8
591.11395	1.1
601.09784	2.7
607.10675	4.2
609.12476	11.6
610.12653	1.3
619.10919	2.7
709.11523	1.1
727.13000	15.3
728.13043	1.6
745.14008	6.0
787.14807	2.3
913.18463	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	911.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00321	0.6
68.63570	0.3
69.28530	1.5
69.28951	1.0
69.85767	0.3
71.01371	2.4
73.02943	0.9
81.03452	4.8
83.01372	2.1
85.02953	1.2
89.02425	1.4
93.03458	3.9
94.03804	0.3
97.45982	0.2
99.00876	0.5
101.02459	1.6
107.01406	0.5
108.02187	0.3
111.04488	0.3
111.21443	0.3
113.02437	1.6
119.03600	0.4
119.05017	5.0
119.05817	0.4
122.03693	0.3
123.04519	16.8
124.04840	0.8
125.02437	9.6
126.86299	0.2
135.04530	0.9
137.02473	0.4
149.02406	1.6
151.00328	1.4
161.04588	0.9
163.03906	0.4
165.05553	0.3
166.02704	0.4
167.03481	56.2
168.03775	2.3
179.03485	5.8
180.03775	0.4
182.80032	0.3
185.06023	0.6
189.05537	0.6
191.03479	1.1
227.07123	5.5
227.10600	0.3
229.08633	0.7
255.06587	0.6
263.40509	0.3
268.03735	0.5
273.07651	100.0
274.03168	0.3
274.08032	7.2
275.08221	0.7
283.06134	0.8
297.07727	0.4
342.19351	0.3
351.42661	0.3
389.21835	1.4
394.95895	0.3
412.37195	0.3
431.13278	0.8
431.22812	20.6
432.23090	1.4
435.12918	24.7
436.13235	2.3
437.13770	0.6
465.19522	1.3
481.34528	0.3
904.52936	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	2.3
71.01377	97.7
72.01699	1.4
72.99277	4.1
73.02946	84.5
75.00854	3.4
83.01383	27.1
85.02949	27.4
87.00871	2.8
88.62123	1.6
89.01929	2.7
89.02443	31.4
91.05418	1.4
95.01373	5.2
97.03008	1.8
99.00878	5.2
101.02440	100.0
101.95341	1.4
113.02446	46.5
115.03963	2.0
119.03507	14.6
120.24149	1.7
121.02944	1.7
125.02414	5.4
131.03531	9.5
143.03474	12.6
149.04584	18.0
152.84628	1.6
155.03484	2.5
159.02956	2.2
160.89116	1.6
161.04552	44.2
165.01895	2.1
166.27844	1.6
179.05602	3.9
195.10442	1.5
203.05559	5.7
221.06679	12.6
229.54903	2.4
313.16434	1.8
331.17615	27.7
344.12735	4.2
359.00116	1.9
359.15057	9.0
373.18631	77.5
374.18936	4.7
399.16571	2.8
432.74765	1.9
491.19260	28.0
492.19598	2.5
873.82959	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	3.7
71.01379	89.7
71.53069	1.7
72.99295	2.9
73.02944	94.1
75.00874	2.0
83.01384	29.4
85.02950	22.3
86.40659	1.2
87.00880	3.1
89.02444	24.5
95.01411	6.6
97.02974	2.5
99.00871	4.9
101.02441	100.0
102.02772	1.3
107.83380	1.3
108.26892	1.4
109.02888	1.3
113.02445	43.5
119.03503	14.5
125.02435	4.0
131.03474	9.9
143.03494	10.6
149.04552	20.0
155.03464	2.9
159.74388	1.1
161.04549	39.0
179.05608	2.5
191.05641	1.4
203.05600	4.3
221.06631	11.3
277.35913	1.3
284.99921	1.2
311.08878	1.8
331.17599	22.6
344.12744	3.1
359.14914	6.7
373.18640	67.7
374.18985	4.2
491.19229	22.8
492.19525	3.5
539.34106	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	911.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00331	0.7
71.01377	1.0
71.53407	0.4
79.87503	0.3
81.43177	0.3
83.01377	0.6
85.02907	0.3
89.29955	0.3
95.01403	0.3
101.02415	0.6
107.01384	1.9
108.02169	0.8
109.02937	1.2
113.02480	0.6
121.02953	1.1
125.02415	0.6
133.02969	1.6
135.00888	0.7
148.01669	1.0
149.02408	0.4
151.00351	7.5
163.00371	1.7
164.01093	0.4
175.03986	0.5
178.99835	3.3
187.03915	0.5
193.01189	0.3
199.03903	1.0
201.02129	0.4
203.03378	0.4
211.03947	0.9
215.03456	0.5
226.02777	0.7
226.59846	0.3
227.03445	1.8
243.02943	4.4
244.03223	0.4
245.04543	0.6
249.15680	0.3
254.02248	1.1
255.00163	0.6
255.02953	14.4
256.03671	1.8
271.02460	29.9
272.02930	2.2
273.03961	0.9
283.02551	1.0
284.03241	21.6
285.04016	48.0
286.04379	2.2
295.69952	0.5
297.03986	0.7
299.02045	0.9
300.02725	65.2
301.03461	29.9
302.03864	1.5
308.71872	0.3
327.04977	0.4
329.13812	0.5
343.04617	0.7
359.14969	0.4
373.57416	0.3
447.09277	54.8
448.09610	4.8
463.08789	100.0
464.09195	7.7
607.12408	0.4
654.14966	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
64.73973	6.4
71.01387	58.9
71.04222	7.0
71.53325	9.1
73.02937	10.1
75.36502	5.5
79.95757	7.3
83.04903	5.5
85.02940	18.4
87.00862	13.7
89.02438	35.1
90.25267	5.7
96.96043	8.6
97.02929	12.7
101.02459	22.4
112.98589	7.0
113.02444	19.9
113.22736	7.0
125.02391	17.6
143.03548	12.3
161.04495	10.6
163.11206	9.6
171.10260	91.1
172.10510	19.0
179.05527	9.6
197.11971	6.7
201.11288	77.1
207.10226	21.0
208.10510	10.7
209.09923	8.3
209.11839	97.7
211.13441	9.2
225.11302	53.1
226.11577	13.8
227.12875	7.5
235.08215	11.8
277.21719	100.0
278.22034	32.0
293.21121	6.3
305.08759	6.5
331.56415	6.7
379.12338	22.3
388.83047	7.0
397.13486	84.1
398.13715	22.9
399.13599	7.8
415.14478	19.1
451.93903	6.7
607.26276	7.2
624.25708	9.3
884.46472	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99809	1.2
69.03439	2.1
70.58675	2.4
70.59042	2.1
71.01009	1.8
71.01381	25.3
72.99300	2.0
73.02934	3.7
79.95758	1.9
80.96519	5.2
81.03461	1.3
83.01360	2.5
84.95345	1.3
85.02943	6.4
87.00867	3.8
89.02451	14.3
94.98060	1.5
95.01389	1.7
95.05006	1.6
96.96011	1.6
97.02941	5.9
97.06611	1.7
99.00881	10.7
101.02438	14.7
109.06577	1.6
113.02454	7.3
116.92864	3.8
119.03466	4.2
125.02425	6.4
125.09692	5.4
127.11234	1.7
128.53665	1.1
135.08099	1.3
142.02655	1.3
143.03520	2.0
161.04506	2.5
163.11238	9.1
171.10271	19.6
179.05568	3.7
181.12369	13.3
197.11807	3.2
199.13382	14.8
201.11290	3.6
207.10240	28.3
208.10590	1.5
209.11771	2.5
211.13414	6.9
221.06609	4.6
225.00917	1.8
225.11307	54.2
226.11559	3.3
227.12834	3.3
235.08253	3.4
243.12354	12.9
253.09340	1.5
275.19977	1.6
277.21710	36.4
278.22079	1.8
291.19577	7.9
293.21341	5.5
295.22693	1.9
379.12274	3.1
393.04376	1.3
397.13495	20.9
415.14655	7.9
459.17984	1.6
551.23712	1.3
605.24402	3.8
623.25726	5.4
641.25928	1.6
883.47058	12.7
884.46979	1.9
901.47845	100.0
902.48083	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.477
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99226	1.6
69.68213	6.3
71.01380	26.8
72.99318	2.4
73.02943	2.9
79.95722	3.7
80.00544	1.2
80.96528	9.1
81.03477	1.2
82.25054	1.2
83.01362	2.0
85.02955	4.3
87.00865	4.9
89.02438	16.0
91.91438	1.3
94.98085	1.7
95.01385	2.3
96.96024	2.6
97.02953	7.9
97.06569	2.1
98.20005	2.9
99.00877	11.2
101.02435	17.6
109.06586	3.1
113.02438	5.5
119.03523	1.9
123.04542	1.6
125.02457	6.9
125.09704	6.1
133.05058	1.8
138.86609	1.2
139.29973	1.2
142.02773	1.5
143.03500	2.4
155.10739	1.8
161.04492	2.1
163.11258	5.5
171.10269	22.0
179.05592	3.2
179.82837	1.4
181.12344	10.1
185.11922	1.6
197.11824	3.4
199.09680	2.6
199.13385	11.1
201.11258	9.1
207.10242	23.7
211.13422	2.4
215.12848	1.7
217.69078	1.4
221.06557	2.1
225.11301	42.7
231.72852	1.4
235.08212	3.0
243.12326	9.8
277.21695	54.5
278.22119	3.0
293.21167	1.4
379.12375	4.8
397.13531	18.6
415.14520	4.8
439.14700	1.9
551.23712	1.5
605.24243	4.3
623.25177	5.2
641.26337	2.2
675.35950	1.6
857.44684	2.2
883.46729	15.2
884.47552	2.7
901.47815	100.0
902.48285	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98531	26.2
71.01369	38.9
71.07722	30.1
79.95731	17.0
89.02451	21.4
96.96002	16.7
113.02398	17.5
116.92898	21.4
150.40503	13.6
156.59558	11.7
169.12431	13.6
171.10239	20.8
197.11813	32.5
211.13353	16.0
225.11320	24.4
253.09167	14.5
277.21619	66.9
278.22089	30.2
293.21329	13.4
309.20599	25.4
310.20883	34.8
311.21487	18.2
397.13348	26.1
448.37964	13.3
866.64001	16.1
900.46613	100.0
901.46777	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	901.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99806	0.2
69.03432	0.3
71.01382	12.0
72.99310	2.4
73.02937	1.0
75.00871	14.4
81.96409	0.2
83.01386	1.4
84.02155	0.3
85.02948	15.9
86.03303	0.3
87.00870	4.2
89.02438	3.9
95.01387	2.1
97.02936	0.4
98.19877	0.6
99.00876	4.8
100.50125	0.2
101.02440	3.3
103.00356	0.4
111.00880	0.3
112.01671	0.5
113.02445	14.8
115.00349	1.5
116.01238	0.2
117.01936	1.2
118.64201	0.2
119.03480	1.2
123.04498	0.4
125.02454	0.5
127.61478	0.2
129.01920	0.6
131.03493	0.6
147.03001	0.2
157.01381	0.5
167.03511	0.9
173.04515	0.8
175.02458	1.3
249.62648	0.2
273.07660	1.0
274.08087	0.2
283.05994	0.2
347.16977	0.5
394.08945	0.2
435.13004	0.2
465.19733	100.0
466.20114	6.5
466.25156	0.2
695.95563	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.496
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98534	38.0
63.99271	56.0
66.19585	29.3
68.03306	29.1
70.18935	100.0
71.01394	63.8
80.96511	71.4
103.23743	32.3
125.11535	31.4
128.40953	28.5
155.58015	27.6
277.21704	88.6
281.66116	29.5
293.21008	35.7
338.65384	27.7
351.65878	30.8
372.78113	29.6
717.86395	34.7
900.46057	89.1
901.46533	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	900.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98521	58.1
63.99257	32.3
70.07629	100.0
71.01411	44.1
80.96524	75.0
88.39349	33.4
98.20638	35.2
111.58936	26.6
111.83089	29.4
131.97095	33.6
320.09250	35.5
400.66830	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
63.47294	10.9
64.85476	10.7
71.01381	50.0
76.29051	11.2
76.52086	12.6
82.88622	14.0
85.02960	12.7
89.02448	19.9
94.96349	11.8
101.02430	41.5
109.53350	10.2
113.02431	17.1
160.89114	11.2
162.17635	13.9
171.10272	46.3
197.11832	34.2
201.11365	21.4
207.10152	23.0
225.11224	38.1
229.75816	16.7
277.21710	100.0
278.22034	16.0
291.19733	16.5
292.19995	18.8
293.21255	12.6
309.20636	24.3
328.29480	12.0
397.13284	50.2
883.47034	19.7
900.46887	72.8
901.46967	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98523	54.1
64.73052	42.2
70.40147	48.3
71.51689	57.8
71.52024	67.9
72.77102	47.6
78.91855	100.0
80.96470	74.7
93.72905	51.0
106.04800	46.3
128.74847	45.9
148.13464	64.7
260.40179	60.6
404.73593	57.7
422.21231	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.464
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96527	0.7
69.03459	5.8
69.67986	1.9
69.68398	1.7
71.01376	15.4
71.05022	1.2
72.99301	1.6
73.02940	2.6
79.95728	0.8
80.96523	1.5
81.03461	0.7
83.01392	1.4
83.04985	1.0
85.02953	3.4
85.20615	0.6
87.00868	2.6
89.02444	7.6
95.01395	1.1
97.02964	1.9
98.20655	1.0
99.00862	1.3
101.02436	7.4
111.04552	0.8
113.02448	4.1
114.99583	0.7
119.03477	1.8
123.08210	0.9
125.02439	2.2
125.09709	2.7
126.33926	0.7
141.01907	0.7
143.03484	0.7
143.83005	0.6
151.11292	2.5
153.12759	1.1
161.04596	1.3
161.09721	4.3
171.10344	1.6
179.10754	5.4
197.11819	40.6
198.12128	3.0
207.10260	1.0
209.11729	1.2
211.13408	2.0
221.06616	1.4
223.09653	1.0
228.36887	0.7
235.08246	0.9
241.10805	2.6
253.09247	2.8
254.09549	1.0
277.21704	33.3
278.22015	2.7
291.19659	2.3
292.19736	1.6
309.20706	6.8
310.21130	5.6
311.21387	2.0
397.13443	2.2
400.92651	0.9
447.21951	0.8
642.89667	0.9
818.70227	0.8
899.46429	100.0
900.46515	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	3.8
69.35452	4.5
69.35860	1.4
71.01003	1.1
71.01380	14.9
71.05015	2.0
72.99306	1.2
73.02938	2.5
78.48083	0.7
80.96468	0.6
81.03480	0.6
82.46233	0.6
83.01385	1.9
85.02951	3.0
87.00877	2.5
89.02449	9.2
95.01371	1.0
97.02939	2.4
98.19923	1.3
99.00878	0.8
101.02451	7.9
102.38923	0.5
105.03960	0.7
113.02473	4.3
119.03493	2.4
123.08133	1.5
125.02435	1.6
125.09699	1.6
127.03963	0.5
131.03488	0.7
143.03406	0.9
151.11293	2.0
153.12883	1.5
156.42682	0.6
161.04530	1.5
161.09679	2.6
169.12328	2.0
171.10269	1.3
179.10800	4.1
181.20480	0.6
197.11824	55.1
198.12157	2.8
207.10127	0.7
211.13377	2.0
221.06657	2.6
223.09735	1.9
235.08183	1.6
241.10822	2.8
241.14273	0.6
253.09227	1.4
277.21683	19.1
278.21960	1.5
291.19632	2.6
292.20007	1.1
293.20822	1.1
309.20731	4.8
310.21097	3.9
311.21439	0.9
315.48294	0.6
397.13303	2.4
415.14566	0.8
639.24597	1.0
839.98956	0.8
881.46313	0.9
899.46436	100.0
900.46619	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	898.48
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98526	43.2
67.84694	36.7
71.01377	100.0
78.35941	38.4
80.96516	47.1
109.06552	42.1
113.17529	35.5
113.51967	42.1
163.00867	43.1
171.10246	88.6
175.97707	32.1
180.99747	32.6
218.69571	33.6
225.11292	40.2
255.23271	71.9
277.21777	59.4
293.21161	49.7
397.13596	43.7
569.93762	40.6
899.45392	99.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71925	1.9
70.66121	0.4
71.01379	8.3
72.99297	1.0
73.02940	1.4
80.02666	1.4
81.03439	2.2
83.01381	1.2
83.05026	5.2
84.02130	0.5
85.02945	2.5
87.00866	1.8
89.02447	6.3
95.05039	0.5
96.96015	0.5
97.02958	1.3
97.03805	0.4
99.00913	0.5
101.02435	4.9
108.02186	0.5
113.02444	3.1
113.87646	0.5
119.03479	2.1
121.32183	0.5
121.60146	0.4
125.02455	2.6
125.06026	0.7
131.03484	0.5
135.08165	0.6
143.03520	1.0
150.03183	0.4
151.03784	0.4
161.04561	1.7
163.11298	4.0
165.12817	2.4
179.05615	1.6
187.82550	0.5
191.10788	1.0
195.06606	0.5
209.11812	100.0
210.12100	4.2
216.89040	0.5
221.06590	0.8
227.12877	15.5
227.15147	0.8
228.13287	0.5
235.08272	2.2
253.09357	0.5
287.07587	0.9
305.08817	0.9
323.44318	0.5
379.12393	4.9
397.13489	19.3
398.14059	0.9
415.14465	4.4
508.33810	0.5
589.24756	3.3
607.25995	5.4
799.36786	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98504	0.5
69.03435	1.3
70.38222	1.2
71.01373	3.4
72.99297	0.4
73.02936	0.8
83.01385	0.8
83.05022	0.8
85.02952	1.5
87.00871	1.2
89.02468	2.6
95.01388	0.7
96.96000	0.4
97.02944	4.3
97.06581	0.7
98.20517	0.4
101.02436	3.6
109.06598	0.9
111.08154	4.5
113.02419	2.0
119.03471	0.9
119.08700	0.6
125.09711	1.4
128.37952	0.4
137.09717	1.7
143.03404	0.4
151.11343	0.6
153.09189	0.7
153.12808	0.5
161.04614	1.9
163.11273	1.2
165.12830	3.5
169.12292	2.3
171.10236	4.3
172.10582	0.5
177.12804	0.4
179.10757	0.4
179.14392	0.6
181.12344	1.4
183.13901	0.9
185.11862	0.6
191.14624	0.4
193.12233	0.8
193.15958	0.7
197.11815	21.2
198.12198	0.9
199.13376	2.1
207.10194	0.7
209.11823	3.0
211.13396	4.9
221.11862	0.7
223.13371	1.0
227.12894	3.2
235.08205	2.1
239.12885	0.7
247.20654	2.8
253.09268	17.2
263.20145	1.3
265.18073	0.5
273.18652	2.0
291.19650	38.7
292.19983	2.4
293.21146	0.9
309.20694	100.0
310.21078	5.6
315.55081	0.4
331.97107	0.4
433.20941	0.7
527.28693	1.6
545.29675	6.1
546.29596	0.6
601.40930	2.6
837.49524	0.5
897.47382	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	59.7
71.16245	100.0
75.00865	83.4
77.28601	61.8
80.96542	46.1
202.11070	49.9
236.59566	50.3
267.69937	56.8
396.06451	52.3
732.22107	51.5
777.40991	49.5
790.00293	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	3.0
69.68227	1.8
71.01384	15.0
71.05010	0.6
72.99297	1.5
73.02951	2.8
75.00867	0.4
81.03451	0.9
83.01388	1.3
85.02950	3.7
87.00877	3.2
89.02441	12.3
90.61473	0.3
95.01400	1.2
95.05006	0.8
97.02955	2.3
98.19989	0.7
99.00871	1.2
101.02444	10.0
101.03111	0.6
105.74439	0.4
109.06569	0.5
111.04507	0.5
111.08147	0.5
113.02456	6.7
115.03971	0.4
119.03493	3.1
125.02451	4.7
131.03502	0.6
139.03987	0.4
141.09258	0.4
143.03476	1.7
145.05183	0.4
149.09744	1.0
161.04521	2.8
161.13309	0.4
167.10783	2.7
171.10248	1.0
177.12790	0.9
179.05608	3.6
179.10753	1.2
179.14394	3.7
195.13892	14.1
196.14423	1.0
200.37534	0.4
205.12305	7.9
211.13380	1.0
221.06651	1.7
223.13382	71.2
224.13737	3.0
225.14931	0.6
228.13654	0.8
235.08240	3.9
238.75456	0.4
253.09291	1.1
256.13190	1.4
263.07581	0.4
265.14456	0.3
275.20166	5.3
287.07690	0.8
289.18066	0.6
291.19550	1.1
293.21219	100.0
294.21539	5.9
305.08771	1.4
309.20844	0.7
323.09924	1.0
327.21875	0.4
379.12479	2.6
397.13486	34.5
398.13754	1.3
415.14542	12.6
416.14716	0.5
499.34012	0.7
527.28290	0.4
603.26660	4.3
604.27197	0.6
621.27576	10.7
622.28046	1.0
673.34485	1.4
691.35565	3.2
692.36469	0.4
860.40259	0.4
897.48486	2.2
898.48444	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	1.5
71.01381	100.0
71.52401	1.4
71.52784	1.5
72.99310	3.5
73.02920	4.4
75.00870	23.3
81.03468	1.3
83.01405	3.3
83.05017	1.5
85.02930	7.7
87.00875	6.2
89.02445	20.5
95.01403	3.2
97.02942	5.3
99.00872	4.2
101.02445	21.0
104.27354	1.2
106.52081	1.3
109.06527	6.2
113.02438	9.4
118.70457	1.3
119.03487	5.6
125.02451	8.6
125.09742	2.6
127.11237	2.1
143.03513	2.1
146.31215	1.3
155.10802	1.5
161.04509	5.1
163.11250	4.1
171.10251	50.1
172.10593	1.6
179.05557	5.9
181.12282	2.4
195.13849	1.7
197.11909	1.6
199.09718	10.0
201.11314	13.2
207.10245	22.6
221.11856	12.3
225.11305	12.3
235.08194	6.3
239.12950	7.8
243.12094	2.2
253.09261	2.9
255.23268	78.3
256.23492	3.7
277.21631	8.8
287.07568	2.8
291.19681	8.5
293.21164	2.8
305.08649	2.5
309.20663	7.0
362.55969	1.6
379.12302	8.2
397.13470	51.5
398.13806	3.9
415.14618	11.9
417.78644	1.3
451.95584	1.3
605.23944	2.5
653.37659	2.2
835.47003	4.1
861.48773	11.3
862.48907	3.6
879.49341	1.8
897.49683	15.9
898.50195	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	897.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	3.0
69.81047	1.8
71.01376	13.3
71.01778	0.4
71.05009	0.6
72.99310	1.6
73.02944	1.3
81.03456	0.8
82.08581	0.3
83.01390	1.1
83.05022	0.8
85.02949	3.7
87.00877	3.3
89.02441	13.3
93.03430	0.4
95.01378	1.0
97.02943	2.3
99.00887	0.9
101.02434	9.5
101.03104	0.5
109.06590	0.7
109.41426	0.4
111.08125	0.7
113.02440	5.2
113.09664	0.4
119.03478	2.9
125.01631	0.6
125.02438	4.2
131.03537	0.5
141.01900	0.5
141.05202	0.4
143.03502	1.4
143.39494	0.4
149.04512	0.4
149.09669	0.4
155.10350	0.4
155.93094	0.4
157.96317	0.4
161.04536	3.3
167.03459	0.5
167.10800	2.6
171.10220	0.6
177.12869	0.7
179.05597	4.0
179.10809	1.0
179.14397	2.6
195.13889	12.7
196.14203	0.6
205.12289	6.6
206.12823	0.6
211.13364	1.7
216.13493	0.4
217.07245	0.4
221.06650	1.1
223.13377	66.6
224.13725	2.4
225.14938	0.6
228.13716	0.5
231.21115	0.5
235.08160	3.5
251.53902	0.4
253.09285	1.1
256.13120	0.7
275.20108	3.8
287.07819	1.2
291.19501	2.5
293.21213	100.0
294.21548	6.3
305.08835	1.3
309.20691	1.1
313.16266	0.4
323.09836	0.8
327.21851	1.4
343.47900	0.4
379.12454	2.7
397.13464	35.7
398.13818	1.6
415.14536	12.7
416.15347	0.6
499.34372	0.8
537.61749	0.4
560.37073	0.4
581.28143	0.5
603.26434	5.2
614.47870	0.4
621.27551	11.0
622.27881	1.4
673.33649	2.0
691.35449	2.7
692.36462	0.5
860.41010	0.4
897.47583	2.0
898.48743	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	50.0
75.00853	63.8
83.76247	28.0
88.59786	24.0
89.02418	36.1
94.85189	23.5
95.63458	22.8
101.02394	28.2
125.09734	22.4
138.57573	22.2
156.86925	24.5
171.10251	32.2
178.21947	21.9
195.13841	49.7
197.11798	63.1
209.11807	37.8
229.32541	32.9
253.09357	55.7
289.18024	62.6
290.18268	33.2
291.19537	80.6
293.21332	33.0
307.19196	52.4
308.19507	49.8
309.20432	93.6
310.21021	29.4
397.13614	38.8
532.76923	28.4
549.52209	27.6
662.98303	29.3
849.10059	32.5
897.48572	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
63.90302	0.9
65.00314	1.3
65.03959	1.1
65.93219	1.0
67.01900	1.0
69.90791	0.8
71.52669	1.0
83.01382	3.8
85.02949	0.9
93.03458	4.2
97.02930	2.1
98.68964	0.9
105.03445	1.5
107.05015	2.8
109.02955	15.0
119.05029	1.4
121.02946	6.6
121.49890	0.8
123.04502	7.9
125.02444	85.2
126.02761	1.8
126.27052	0.8
131.04982	1.8
133.02928	4.6
135.00917	0.9
137.02448	15.7
138.03162	0.9
139.03964	3.1
145.02869	1.0
147.04506	1.5
149.02438	11.6
149.06131	1.4
150.02905	0.9
151.04004	16.0
159.04456	2.2
160.05281	1.2
161.02434	3.0
161.06044	2.0
163.00333	3.6
163.04037	6.0
164.01169	5.0
165.01930	5.5
167.03467	3.6
173.06027	1.5
175.00246	0.9
175.02557	1.2
175.03999	18.9
176.01132	2.5
176.04320	1.1
177.01926	100.0
178.02277	3.7
179.03436	3.2
185.05988	1.2
187.03999	6.6
188.04770	1.2
189.01912	3.8
189.05562	1.3
191.03479	3.7
192.79456	0.9
193.05031	2.3
199.04010	7.1
201.01923	1.4
201.05565	1.6
203.03419	2.3
203.07138	3.4
205.01402	1.9
205.05048	3.3
211.03960	1.6
213.05638	0.8
215.03398	3.3
217.01488	1.7
217.05052	10.1
219.02956	9.6
228.04195	1.1
229.04958	2.8
231.02948	3.1
233.04524	1.2
241.04863	1.3
243.02957	45.2
244.03421	1.8
245.08142	5.7
247.06041	1.0
253.05028	1.1
255.02953	10.1
256.03632	3.5
257.04358	2.3
259.06015	2.4
261.04013	18.5
267.02667	1.1
269.04501	2.9
273.03995	3.6
281.04459	3.1
283.02460	3.3
285.04001	4.5
287.05533	1.2
289.07190	27.8
290.07547	1.9
293.04468	1.6
297.03961	1.6
303.05081	25.7
304.05429	1.6
305.06842	4.1
315.05081	3.2
315.08554	1.2
339.08682	2.9
341.06494	2.1
343.04556	1.0
347.05582	1.5
357.05951	0.9
365.06494	1.2
373.03531	0.9
381.09738	1.3
383.07736	1.5
391.04626	2.3
407.07675	24.1
408.07819	2.2
421.05457	3.9
423.06967	1.5
425.08850	12.4
426.08887	1.0
429.08191	5.0
439.06567	4.3
441.08093	1.9
467.09857	8.7
481.07587	3.3
499.10190	1.1
517.44775	1.0
525.08441	5.1
543.09344	13.2
559.08765	1.8
561.10510	6.1
577.09485	1.6
585.10272	1.8
593.12970	11.9
603.11292	3.5
607.11029	3.7
633.12238	1.0
711.13416	18.9
712.13684	2.4
729.14545	5.5
771.15546	2.2
897.18359	3.3
903.12738	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	1.6
71.01375	9.3
72.99332	1.4
81.03443	1.7
83.01394	2.4
83.05019	1.4
85.02943	3.2
87.00861	3.3
89.02434	4.4
89.76146	1.1
95.01405	1.5
95.05013	2.1
97.02950	3.0
97.06595	5.1
101.02436	7.8
107.04899	0.9
111.08163	13.6
113.02452	4.9
119.03487	2.2
123.04457	1.5
123.08163	1.6
125.09708	4.7
135.04478	1.0
137.09709	3.0
151.11302	3.3
153.12842	2.2
161.04480	3.7
161.09796	1.0
163.11296	5.9
165.12817	3.8
167.10724	1.7
167.78784	1.0
169.12331	6.5
171.10321	1.6
177.12825	1.0
179.05635	1.3
179.10756	2.2
181.12354	4.5
185.11783	4.8
189.36566	1.1
191.10788	2.1
191.14412	7.1
193.12172	1.5
197.11813	62.5
198.12181	3.0
199.13376	4.0
207.10233	2.0
209.11826	18.0
211.13399	12.5
225.11349	2.4
227.12856	4.6
235.08220	7.3
237.11203	2.4
245.19087	15.0
253.09291	31.2
255.23260	1.9
263.20132	13.3
265.18158	2.3
271.16959	3.0
289.18088	66.6
290.18317	3.7
291.19656	30.3
292.19949	1.7
307.19138	76.6
308.19568	5.1
309.20700	100.0
310.21091	6.9
445.20679	3.4
525.27026	4.4
543.27838	6.8
545.29865	2.5
610.22705	1.3
737.40918	2.6
835.48505	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	895.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
68.32639	2.1
70.08492	7.9
71.01379	11.2
73.24452	2.1
73.30374	2.0
74.24464	2.1
75.88079	2.1
80.02679	2.2
81.03474	4.2
83.01385	4.3
85.02943	2.8
87.98012	2.0
89.02470	5.6
89.09032	2.3
97.02962	4.5
97.06583	6.4
98.20624	2.5
101.02453	6.7
111.08163	10.4
113.02474	2.9
123.04499	3.9
123.08175	3.9
125.09711	5.6
136.89153	2.2
137.09720	5.2
145.72673	2.1
155.31895	2.1
161.04523	3.2
163.11295	4.8
165.12828	3.1
166.21921	2.2
169.12299	6.5
171.10236	4.7
181.12297	2.8
185.11833	7.4
191.14395	7.1
193.12300	2.7
197.11815	53.6
199.13269	3.6
207.10234	4.3
209.11781	17.3
211.13412	9.9
212.13815	2.5
225.11482	2.2
235.08206	6.4
237.11227	5.9
245.19043	19.0
253.09294	32.0
255.38004	2.3
263.20193	8.7
289.18073	82.8
290.18384	5.8
291.19620	34.5
307.19125	82.2
308.19489	5.3
309.20694	100.0
310.20911	5.2
462.23911	2.7
513.10492	2.7
543.28070	3.2
545.29529	2.3
611.82050	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	893.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99581	1.3
69.03446	1.6
71.01373	4.7
73.02944	1.0
78.47488	1.0
81.03461	1.3
83.01387	4.0
83.05061	1.5
85.02967	1.7
89.02450	3.4
97.02951	2.8
97.06567	5.7
101.02457	5.6
106.04267	1.8
109.06581	1.4
112.98622	1.1
113.02437	2.6
119.03476	1.5
121.06596	1.6
123.04526	4.3
123.08167	1.4
125.06143	1.2
125.09743	6.9
135.08093	1.8
137.09724	5.1
141.12767	0.9
161.04506	2.2
163.07632	1.3
163.11285	10.2
165.12886	1.6
171.10252	2.0
175.11201	1.3
177.12823	1.2
185.11824	11.2
189.87817	0.9
191.10643	1.2
191.14398	8.4
207.10179	4.7
209.11847	23.8
211.13458	2.5
217.15964	1.3
225.11322	3.7
226.12077	1.4
229.07785	1.3
235.08289	2.8
237.11255	5.2
245.19084	19.3
252.18991	1.0
253.09282	14.2
261.18652	1.4
263.20123	6.0
271.17102	1.7
281.21072	1.1
289.18088	100.0
290.18445	4.8
307.19131	83.9
308.19443	4.6
401.92828	1.0
481.29401	1.2
499.30835	1.8
517.32312	1.3
525.27179	2.9
543.28418	3.0
717.37537	1.3
735.39105	1.4
833.46820	2.6
893.50928	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
64.06149	1.1
69.03442	1.9
70.54056	2.8
71.01379	100.0
72.99297	2.4
73.02925	3.6
81.03462	1.9
83.01385	3.0
83.05022	2.7
85.02968	5.9
87.00867	6.5
89.02437	18.2
95.01369	2.2
96.26765	1.1
97.02956	6.9
97.26383	1.0
99.00865	2.9
101.02438	16.8
107.05032	1.4
109.06576	13.7
109.79159	0.9
113.02463	11.9
119.03489	6.0
125.02458	6.5
125.06096	1.1
125.09673	1.6
135.08124	2.8
136.05280	1.5
141.29468	0.9
142.02696	2.1
143.03519	2.4
143.74660	0.9
149.36179	0.9
161.04482	4.4
161.09785	1.2
162.54128	0.9
163.11273	11.9
167.14337	1.2
171.10242	7.8
179.05626	6.0
181.12350	5.0
183.13924	9.0
185.11821	2.0
189.09094	1.0
193.12334	1.9
199.09642	2.1
199.13293	2.8
201.11365	6.2
207.10246	41.0
208.10634	1.5
208.34947	1.1
209.11780	12.7
211.13377	78.3
212.13647	2.4
214.50331	1.2
221.06674	2.3
225.09274	2.0
225.11314	27.0
226.11598	2.3
227.12854	9.2
235.08157	4.3
240.86560	1.0
243.12271	2.4
253.09183	1.5
263.07617	1.4
305.08798	2.1
339.23245	1.1
373.23831	1.2
379.12335	3.1
383.22256	2.4
391.24896	2.4
397.13492	31.0
401.23407	6.4
415.14502	10.3
419.24304	4.3
605.24420	4.1
606.24463	1.2
609.27307	3.1
623.25708	4.6
625.26813	2.1
649.48163	1.1
771.37549	2.9
781.35999	1.7
799.37537	15.6
817.38599	28.2
818.39410	8.7
835.39661	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	889.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98811	1.2
64.47459	0.3
69.03432	1.0
71.01378	13.6
71.37268	0.5
72.99303	1.0
73.02940	2.9
81.03437	0.5
83.01399	1.2
85.02939	4.5
87.00864	4.1
89.02439	11.9
95.01383	1.3
97.02952	2.4
99.00883	1.0
101.02437	11.7
109.02960	0.7
111.00908	0.5
111.04594	0.4
113.02448	6.3
119.03503	3.6
125.02434	6.1
125.09717	1.1
127.11280	1.9
131.03511	0.5
143.03525	2.6
153.09259	0.4
161.04552	3.9
167.03456	0.6
171.10255	100.0
172.10599	2.4
179.05573	4.0
199.06052	0.6
210.26474	0.3
213.11333	0.8
217.07094	1.7
221.06685	1.5
227.05840	0.4
235.08206	4.9
253.09355	1.3
259.08118	0.8
263.07599	0.4
277.21695	55.0
278.22012	3.2
287.07706	2.3
289.18127	0.7
291.19580	0.5
301.08939	0.4
305.08954	1.8
323.09705	1.1
360.97052	0.4
361.11530	0.6
379.12408	15.0
380.12772	0.7
397.13464	39.8
398.13797	1.9
415.14539	8.8
530.06012	0.4
551.23346	5.5
569.24530	5.5
570.25165	0.7
657.35016	1.7
675.35913	2.1
829.44897	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	22.4
71.52493	31.9
82.02746	14.0
96.22636	13.7
113.02494	16.7
116.92876	16.8
122.67957	13.9
171.10292	100.0
172.10617	48.7
181.26965	14.8
223.47107	14.5
229.01303	16.4
247.53481	15.4
277.21832	36.2
278.22055	36.4
293.20987	17.6
366.72913	14.8
397.13486	15.2
399.13977	14.8
435.87747	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
68.99585	0.1
78.95902	0.1
79.95740	0.2
80.96535	0.3
85.26889	0.1
94.98091	0.1
98.19923	0.3
112.98555	0.1
186.20792	0.1
225.00804	0.1
227.12926	0.1
277.21805	0.3
278.22070	0.2
327.21780	0.1
523.41809	0.1
886.47400	0.1
887.48505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	1.8
69.03456	1.5
71.01006	1.2
71.01382	17.0
71.19254	0.7
71.19572	0.9
72.99305	1.3
73.02951	3.1
83.01381	2.4
85.02945	4.4
87.00864	4.6
88.64698	0.7
89.02446	14.3
89.63796	0.6
96.96009	0.7
97.02947	3.1
101.02437	13.1
108.07221	0.6
111.04487	0.7
112.63273	0.6
112.98531	1.0
113.02444	7.4
115.99242	0.6
119.03520	3.3
125.02427	7.4
127.11288	2.2
139.04033	0.9
143.03505	3.2
161.04547	3.9
171.10262	100.0
172.10660	3.4
179.05602	3.4
197.80943	0.6
209.11812	0.7
217.07118	1.5
221.06621	1.4
235.08220	6.1
253.09134	0.9
259.08176	1.1
277.21698	69.5
278.22089	3.4
287.07718	2.9
305.08829	2.0
365.67035	0.7
379.12430	17.4
380.12689	1.0
397.13467	44.4
398.13736	2.2
415.14587	7.5
425.83850	0.8
551.23444	4.1
569.24445	3.8
589.75433	0.8
657.35327	2.9
665.16638	0.8
675.35736	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	885.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	2.3
68.55184	0.2
69.03447	0.9
69.84239	0.9
71.01379	15.1
72.99301	1.0
73.02950	2.3
75.00869	0.3
76.10136	0.2
80.02679	1.1
80.96479	0.2
81.03456	1.8
83.01393	1.7
83.05019	4.4
84.02172	0.7
85.02946	3.6
87.00869	3.8
89.02440	11.6
93.03435	0.3
95.01398	1.4
95.05045	0.5
97.02948	2.4
99.00879	1.0
101.02438	10.6
109.06602	0.6
111.04456	0.3
113.01717	0.4
113.02453	6.3
119.03501	3.1
124.01685	0.5
125.02446	5.9
125.06052	0.4
125.09721	0.3
131.03522	0.5
133.05103	0.3
135.08173	0.7
137.02397	0.3
139.03951	0.7
141.01921	0.3
143.03488	2.3
149.04518	0.4
161.04544	3.2
163.11284	4.1
164.11430	0.2
165.12836	2.6
171.10287	0.3
179.05608	3.4
181.12361	0.7
191.10751	1.1
199.06015	0.6
199.13344	0.9
209.11810	100.0
210.12152	3.8
211.13336	0.5
217.07130	0.9
221.06662	1.6
227.12874	13.8
228.13120	0.3
235.08203	5.1
251.12849	0.8
253.09264	0.9
255.99680	0.3
263.07800	0.4
277.21701	46.0
278.22018	2.9
283.06363	0.3
287.07773	1.6
291.23373	0.3
293.21143	0.4
305.08801	2.1
323.09747	1.2
361.11331	0.4
379.12445	6.7
380.12277	0.4
397.13474	33.7
398.13763	1.9
415.14557	8.3
416.14542	0.4
475.38257	0.3
589.24695	0.7
607.26099	1.6
675.36377	0.7
699.58704	0.3
718.77081	0.3
735.33698	0.3
838.34943	0.3
885.48505	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	5.0
62.85031	0.2
63.99228	0.3
69.03449	0.9
71.01379	15.9
72.99302	1.5
73.02930	2.1
75.00863	0.4
80.02668	0.7
80.96504	0.6
81.03458	2.2
83.01379	2.0
83.05019	5.0
84.02152	0.6
85.02945	3.7
87.00870	4.1
87.04575	0.3
89.02442	13.5
91.46576	0.3
93.03435	0.3
95.01392	1.2
95.05010	0.6
97.02941	3.1
99.00899	0.6
99.04507	0.4
101.02437	12.1
102.02791	0.3
109.02934	0.5
109.06570	0.5
111.04510	0.5
113.02444	6.7
119.03480	3.4
121.02933	0.3
124.01680	0.4
125.02441	5.9
125.06094	0.3
131.03491	0.8
133.05066	0.3
135.08115	0.6
139.04019	0.4
141.01915	0.7
143.03502	2.7
145.05040	0.3
149.02505	0.3
149.04529	0.6
161.04561	3.0
163.11285	4.1
165.12828	2.8
167.03461	0.5
179.05595	4.1
181.12396	0.6
191.10764	1.1
199.06073	0.3
199.13368	0.5
207.10266	0.6
208.10565	0.3
209.11809	100.0
210.12155	3.5
217.07100	1.0
221.06625	1.0
227.12886	13.4
228.13188	0.5
235.08177	5.8
245.06572	0.3
251.12900	0.5
253.09221	1.0
259.08270	0.5
263.07602	0.7
277.21698	55.1
278.22040	3.2
287.07623	1.8
291.23209	0.5
305.08676	1.6
323.09784	1.3
361.11398	0.5
379.12430	7.4
380.12451	0.5
397.13477	40.5
398.13757	2.2
415.14508	9.2
415.19836	0.5
416.15060	0.5
589.25104	0.9
607.26563	1.2
675.36072	0.9
681.89783	0.3
885.48291	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.35299	0.1
80.96516	0.2
125.40672	0.2
304.25174	0.1
442.17963	0.2
571.71210	0.1
885.48541	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
61.86282	0.4
61.98816	0.6
69.43571	1.6
69.44006	1.5
69.75759	0.4
71.01378	100.0
72.01712	1.1
73.02937	0.7
85.02960	1.8
85.06586	13.2
89.02438	1.2
101.02436	1.4
113.02437	1.0
115.76514	0.4
118.95172	0.4
119.05026	1.0
125.02470	0.6
129.05630	0.5
131.07135	59.5
132.07486	1.1
145.02957	2.2
150.03262	0.5
163.04056	1.3
185.08179	26.4
186.08542	1.4
195.06474	0.5
219.14496	0.5
257.10339	0.9
275.11356	43.4
276.11676	2.0
307.08246	0.6
317.12381	23.7
318.12772	0.9
344.12747	0.5
349.14786	0.9
359.15018	3.0
393.21408	0.6
433.11719	0.5
475.12692	0.6
491.19235	7.0
492.19449	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.501
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98521	0.2
63.68416	0.1
73.18253	0.1
79.95718	0.1
80.96515	0.3
84.69471	0.1
89.02370	0.1
92.47868	0.1
112.12652	0.1
118.20292	0.1
124.56408	0.1
169.31065	0.1
209.11830	0.1
277.21674	0.2
293.21323	0.2
294.21658	0.2
397.13882	0.1
399.04608	0.1
478.55536	0.1
878.91022	0.1
885.47681	0.4
895.72723	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	884.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98530	0.2
64.55810	0.1
71.01386	0.2
71.52574	0.1
77.81759	0.1
80.96498	0.1
89.02444	0.1
91.62334	0.1
101.02420	0.1
129.91252	0.1
137.70473	0.1
142.00243	0.1
183.13960	0.3
207.10373	0.1
257.49860	0.1
277.21896	0.3
293.21158	0.1
294.21622	0.1
309.20847	0.1
389.69702	0.1
464.06931	0.1
620.10889	0.1
650.97284	0.1
883.53290	0.1
885.48364	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
71.01378	0.6
71.52465	0.1
71.52843	0.1
80.96526	0.2
87.30569	0.1
89.00582	0.1
89.02454	0.4
101.02437	0.2
125.02451	0.2
137.18190	0.1
144.29022	0.1
199.13412	0.2
207.10323	0.3
208.10629	0.2
209.11899	0.5
225.11340	0.2
226.11908	0.1
227.12878	1.0
255.23299	0.1
277.21735	1.1
278.22150	0.3
293.21237	0.1
310.21228	0.1
379.12744	0.2
397.13550	0.7
415.14685	0.2
589.65265	0.1
609.25867	0.1
884.47479	0.6
885.47278	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98549	0.2
63.65417	0.1
75.00896	0.1
78.91882	0.1
80.96512	0.1
121.49345	0.1
207.10309	0.1
318.78171	0.1
407.28326	0.1
407.46957	0.1
415.92795	0.1
575.47034	0.1
884.45764	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	882.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
63.03025	0.1
64.28784	0.1
67.54195	0.1
69.03444	0.1
70.52730	0.1
71.01376	0.4
71.36645	0.2
72.67117	0.1
85.02934	0.2
89.02448	0.3
101.02489	0.2
109.06595	0.2
113.02391	0.1
135.56439	0.1
157.47760	0.1
161.22203	0.1
163.11302	0.2
207.10242	1.1
225.11366	0.5
277.21674	0.8
289.18082	0.2
291.19482	0.1
294.21619	0.2
397.13425	0.6
533.48010	0.1
605.24060	0.2
636.63605	0.1
714.36755	0.2
883.46515	0.8
889.00476	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	883.542
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98541	0.5
63.39494	0.2
63.99260	0.4
69.67566	1.0
69.67974	0.5
71.01396	1.3
73.02937	0.3
80.96523	0.5
83.01405	0.3
83.05054	0.4
85.02953	1.3
89.02461	1.1
97.06587	0.6
101.02454	1.5
101.07973	0.3
113.02449	0.9
125.09744	0.4
126.90469	0.4
127.11304	0.5
137.09758	0.7
143.03468	0.3
144.52158	0.2
155.10835	0.3
161.04611	0.5
163.03134	0.2
171.10248	5.6
183.14014	0.3
196.29094	0.3
197.11946	0.4
201.11316	0.3
207.10123	0.3
211.13387	3.0
221.11809	0.5
225.11311	0.8
229.14420	2.3
235.08174	2.7
239.12924	0.4
253.09250	5.8
277.21692	16.8
278.22113	1.0
291.19626	1.3
295.22797	0.6
309.20673	3.9
327.21729	18.1
328.22202	1.0
406.01706	0.3
513.30927	0.5
545.29456	1.6
546.29901	0.4
563.30731	2.2
587.43420	0.8
588.44806	0.3
810.97571	0.3
883.46619	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
71.01392	0.2
71.07058	0.2
85.02946	0.1
89.02415	0.2
94.35877	0.1
101.02473	0.2
112.33285	0.1
137.01884	0.1
140.94144	0.1
161.04549	0.1
171.10271	0.3
203.46048	0.1
211.13423	0.2
226.21106	0.1
229.14482	0.3
235.08359	0.4
253.09328	0.8
277.21686	2.5
291.19614	0.3
293.21396	0.2
294.21631	0.3
309.20654	0.5
327.21753	2.1
380.19376	0.1
380.50635	0.1
545.29913	0.3
563.30939	0.2
653.59717	0.1
730.13953	0.1
758.82764	0.1
883.45825	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	17.4
69.03455	1.4
70.75268	1.6
71.01380	7.7
71.05010	0.6
73.02949	0.6
81.03488	0.8
83.01420	0.7
83.05000	1.0
85.02953	2.6
87.00874	1.3
87.91841	0.5
89.02441	6.6
91.52168	0.5
91.86203	0.5
95.01394	0.6
97.02950	3.0
98.20628	0.6
101.02436	7.0
111.08166	1.5
113.02453	3.4
116.07631	0.5
119.03510	2.3
123.08142	0.6
125.02444	1.9
125.09681	1.5
127.07699	0.6
127.11314	1.0
137.09711	1.5
143.03552	0.8
161.04532	3.0
163.11234	1.6
165.12849	2.7
166.09863	0.6
169.12366	0.6
171.10246	4.3
174.01643	0.7
177.12781	0.7
179.05609	1.6
179.10713	0.5
179.14409	1.6
181.12309	1.2
183.13966	0.7
185.41492	0.5
193.15884	0.7
195.13887	6.4
197.11821	9.0
198.12051	0.8
201.11298	13.1
205.12454	0.7
205.15857	0.5
209.11826	18.7
210.12230	1.0
211.13411	3.9
223.13397	6.4
225.11279	1.1
225.14908	0.5
227.12904	5.0
228.13536	0.7
235.08223	3.9
247.20717	1.6
253.09274	29.6
255.23271	13.8
256.13110	1.3
256.23621	1.7
265.21564	0.6
273.18649	1.8
275.20129	7.0
277.21722	1.5
291.19650	27.7
292.20026	1.6
293.21216	100.0
294.21527	6.8
309.20697	63.5
310.20990	4.1
379.12457	2.7
397.13461	11.9
398.13684	1.1
415.14542	2.4
511.29657	0.7
527.28625	0.9
529.29956	3.2
545.29553	4.2
585.41766	4.4
586.41199	0.9
653.37488	1.8
837.49017	0.7
881.49988	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	32.6
68.53773	1.4
71.01376	23.3
71.53288	1.9
72.99280	2.6
73.02941	4.0
81.03471	1.8
83.01402	3.3
83.05008	2.7
85.02945	5.4
87.00867	5.9
89.02436	16.2
91.03982	1.4
95.01399	1.7
97.02924	5.1
99.00872	2.4
101.02438	15.1
109.06556	1.4
111.00846	1.4
111.08167	3.3
112.98780	4.4
113.02436	9.4
115.00385	3.5
118.44269	1.2
119.03498	4.1
125.02416	3.2
125.09663	2.0
126.81189	1.3
127.11238	2.5
137.09636	2.0
142.99854	3.9
143.03433	2.1
151.11334	1.4
161.04539	6.0
163.11223	3.4
165.12833	4.4
169.12378	1.7
171.10237	9.9
172.10645	1.5
174.01656	5.6
175.02441	4.3
179.05580	3.6
181.12167	2.1
185.11743	1.6
193.12350	1.8
195.13919	8.4
197.11818	15.1
198.12152	1.4
201.11319	42.1
205.15887	1.8
209.11813	60.7
210.12161	3.7
211.13368	18.1
212.13667	2.1
221.06458	1.9
223.13382	6.2
225.11290	1.7
227.12955	11.1
228.13472	1.7
235.08202	7.5
247.20663	2.9
253.09259	39.0
254.09627	1.9
255.23274	48.2
256.23575	3.1
263.20166	1.8
275.20160	7.8
277.21689	19.2
287.07776	2.1
291.19644	32.0
292.19995	1.8
293.21204	100.0
294.21384	5.9
307.19220	1.5
309.20691	91.5
310.20941	5.8
379.12427	9.4
397.13461	37.4
398.13828	3.8
415.14523	5.6
529.29639	2.0
545.29736	6.8
585.41443	2.6
607.25665	2.8
635.36462	2.3
653.37701	7.5
756.39178	1.7
763.10339	1.6
763.42560	1.7
810.29724	1.7
837.49622	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	879.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	1.7
63.96235	3.0
70.01655	2.6
70.02058	1.5
71.01373	9.7
73.02938	1.2
78.95897	1.8
78.98581	8.7
79.95737	22.6
80.96515	100.0
85.02946	3.2
87.00867	3.3
94.98080	20.4
96.96021	1.3
97.02927	1.9
101.02442	2.5
106.98064	4.2
113.02425	1.2
122.97591	4.8
125.02436	4.8
127.04011	1.7
134.97574	8.6
136.99158	2.2
148.99153	9.3
152.98648	8.2
164.20427	0.9
164.98618	16.1
206.99678	2.9
215.89841	0.9
225.00732	27.8
253.41899	1.1
255.23349	2.7
283.04794	1.0
537.27118	2.2
623.27673	2.1
709.38831	1.4
879.51245	92.1
880.51422	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	879.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	5.0
64.12275	1.3
66.51389	1.2
69.03452	1.9
69.07282	1.4
71.01376	15.0
71.15622	2.0
72.38112	1.1
73.02952	2.8
83.01406	3.2
83.05035	1.4
83.65401	1.1
85.02962	3.7
87.00875	3.9
89.02441	8.3
97.02986	4.4
97.06570	2.9
99.00888	3.3
101.02435	11.0
104.98597	1.2
109.06590	2.0
111.08137	4.6
113.02453	4.7
115.03969	1.3
119.03503	2.3
123.04579	1.5
125.02457	2.9
125.09711	5.3
161.04526	3.7
163.11217	6.3
169.12402	1.6
171.10275	11.4
179.05635	2.1
179.10666	1.7
181.12311	4.0
185.11806	3.3
187.37968	1.3
191.14447	4.5
195.13867	9.9
197.11815	8.6
201.11346	3.4
207.10286	12.9
209.11913	6.8
211.13399	2.2
223.13423	4.0
225.11310	19.7
235.08221	4.1
243.12289	5.5
245.19113	7.9
253.09241	22.0
255.23303	26.8
256.13037	2.3
256.23444	2.2
263.19974	1.9
271.16855	1.5
275.20090	7.4
289.18094	44.3
290.18546	2.6
291.19656	23.4
292.19995	2.1
293.21216	100.0
294.21539	5.3
307.19125	35.5
308.19476	2.9
309.20673	12.2
379.12479	3.5
397.13565	11.2
415.14490	2.9
416.57492	1.5
527.28723	3.8
605.24683	1.9
819.49402	2.2
861.48071	11.7
862.48621	2.0
879.49152	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	879.5128
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	11.1
67.59442	0.7
70.32816	0.8
71.01381	7.7
73.02945	1.5
81.03449	1.6
83.01369	2.0
83.05030	1.1
85.02930	1.3
87.00887	1.1
89.02444	4.9
95.04957	1.0
97.02948	2.8
97.06592	1.9
101.02446	7.0
101.47303	0.7
109.06512	0.9
113.02454	3.6
119.03516	1.4
123.04489	1.0
123.08152	0.9
125.02468	1.0
125.06087	0.9
125.09720	3.1
130.59676	0.7
131.42874	0.7
137.09695	1.4
161.04526	2.6
163.11290	4.5
165.12907	1.0
171.10245	4.8
181.12378	1.2
185.11844	4.3
185.13293	0.7
191.14392	5.4
195.13834	6.4
197.11855	1.2
201.11339	1.1
205.16063	0.7
207.10281	3.6
209.11845	8.2
211.13367	1.7
217.16069	0.8
223.13416	5.7
225.11244	4.0
228.13681	1.1
231.21284	1.0
235.08211	2.0
237.11288	2.5
243.12213	1.0
245.19104	10.0
253.09259	20.1
253.51358	0.7
255.23318	7.6
256.13147	1.7
263.20142	2.3
271.17105	1.7
275.20068	5.6
289.18069	45.4
290.18399	4.6
293.21213	100.0
294.21582	6.6
307.19150	42.9
307.21960	0.7
308.19510	2.5
397.13492	3.7
427.75879	0.8
525.27045	1.8
529.30194	1.6
543.27789	1.3
605.15436	0.9
627.33417	0.8
819.49738	1.1
861.48206	1.4
862.80609	1.0
879.48773	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	877.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	1.6
69.03455	4.3
70.88527	0.5
71.01377	10.8
71.05029	0.5
72.99313	1.0
73.02933	1.7
81.03443	0.6
83.01369	1.5
85.02959	2.8
87.00867	2.3
89.02448	9.8
89.02972	0.4
95.01364	0.8
96.31689	0.5
97.02940	1.8
97.06569	0.7
99.00864	1.3
101.02442	7.6
108.94997	0.4
111.04527	0.6
111.08089	0.5
113.02458	3.6
119.03510	1.4
123.08208	0.8
125.02445	2.3
125.09715	1.1
125.23101	0.6
143.03453	0.7
150.97989	0.5
151.11267	1.6
161.04507	1.0
161.09724	3.0
169.97528	0.5
179.05609	0.7
179.10783	4.0
197.11818	32.1
198.12160	1.3
209.11815	0.6
221.06589	1.0
223.09804	0.8
235.08183	1.1
241.10863	1.5
255.23282	42.2
256.23599	2.7
289.18030	1.0
291.19797	1.4
397.13391	1.7
415.14600	0.7
877.47968	100.0
878.48315	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	879.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	2.2
69.03448	1.6
70.45528	0.8
70.45885	2.4
71.01018	1.1
71.01382	18.9
71.05004	1.3
72.99289	2.1
73.02924	3.1
83.01353	2.6
83.05012	1.0
85.02936	4.0
87.00864	3.2
89.02429	13.7
93.03435	1.1
95.01393	2.6
95.05035	0.9
97.02943	5.6
97.06572	2.0
99.00269	1.0
99.00871	10.1
101.02435	12.2
109.06586	2.2
110.03748	0.8
111.04532	0.9
111.08140	3.8
113.02433	7.0
119.03476	3.0
123.08153	1.0
125.02412	2.9
125.09731	5.5
127.11221	1.2
131.03506	0.7
143.03456	1.5
143.63893	0.7
161.04527	2.3
163.11278	5.9
165.09200	0.8
171.10257	17.8
179.05544	2.0
179.10809	1.5
181.12321	10.2
195.13907	1.4
197.11819	5.9
199.13356	8.5
201.11298	2.5
207.10242	25.4
211.13422	0.9
217.06973	0.9
225.11290	35.3
226.11501	0.9
235.08214	4.8
243.12294	7.2
247.20563	1.3
253.09242	4.5
255.23267	60.5
256.23630	4.2
263.19818	0.9
273.18378	0.9
289.17953	1.2
291.19641	34.7
292.19974	1.4
293.21152	1.8
309.17239	1.2
309.20660	13.6
310.21271	1.1
379.12427	4.0
397.13449	15.4
398.13925	0.9
415.14417	3.1
499.82532	0.8
527.28534	3.5
605.24329	2.4
623.25464	1.6
635.36206	1.1
653.37585	1.3
861.48535	13.6
862.48425	2.9
879.49512	100.0
880.49731	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.407
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03450	3.2
71.01380	88.0
72.99304	4.8
73.02945	87.1
73.03287	0.9
75.00861	2.2
79.71692	0.9
81.03452	1.2
82.81790	0.8
83.01384	25.3
85.02947	30.8
87.00861	2.9
89.01935	1.4
89.02442	17.3
91.43657	1.1
95.01388	7.6
97.02942	2.7
98.20734	2.2
99.00891	7.1
101.02438	100.0
102.02767	1.2
113.02447	49.7
119.03495	11.8
125.02448	4.8
129.01936	1.7
131.03514	8.8
143.03488	12.7
147.02951	1.2
149.04556	20.5
152.35851	1.1
155.03468	1.8
156.32884	1.0
159.02986	4.3
161.04550	51.8
162.04836	1.1
166.02673	1.0
169.12210	1.2
172.99052	1.0
181.01407	4.4
181.04985	4.1
196.03748	3.8
203.05630	5.8
211.06071	7.0
221.06653	12.1
284.03195	12.8
285.03931	8.5
299.05630	7.4
308.84784	1.0
313.16495	1.9
331.17587	53.6
332.17935	3.0
340.42941	0.9
373.18643	80.7
374.18930	6.1
415.23389	6.5
417.08249	15.7
417.17612	2.6
418.08304	2.4
430.86395	1.0
740.80292	1.0
819.00659	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	10.6
69.03455	3.1
69.29575	9.1
69.29992	3.3
71.01383	10.8
73.02962	2.8
83.01382	1.8
83.05010	1.9
85.02943	10.3
87.00887	2.5
89.02415	6.0
95.04990	2.0
96.96007	5.2
97.02924	5.1
97.06573	5.8
101.02440	9.6
111.08132	2.5
113.02436	1.8
116.92866	12.2
117.01933	1.6
125.09702	6.3
127.11284	2.5
137.09785	3.4
144.34380	1.5
153.09108	1.5
161.04590	1.7
163.11273	4.5
165.12857	3.6
171.10268	26.6
171.16020	1.4
181.12271	2.4
183.13875	1.9
185.11832	4.4
191.14403	3.8
193.12366	2.0
197.11761	9.5
199.13216	2.5
201.11270	1.9
202.99687	1.8
207.10193	3.0
209.11827	34.2
211.13428	17.7
221.11844	2.3
225.11234	2.7
227.12787	7.7
229.14435	9.8
235.08133	4.6
245.19032	6.9
247.16951	1.4
253.09300	21.2
289.18088	32.8
290.18292	1.7
291.19766	9.2
293.21237	2.3
307.19168	27.9
308.19305	1.6
309.20679	16.5
311.22458	1.9
327.21738	100.0
328.22034	4.9
343.21106	2.1
490.13553	1.7
495.38486	1.4
639.08228	1.7
794.90106	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.24
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02398	0.4
65.00040	0.1
65.00338	0.3
69.31827	1.0
82.22162	0.1
83.01389	0.3
98.20713	0.2
104.03524	0.3
107.01379	0.4
109.02951	0.6
117.03426	0.2
119.05016	0.1
135.00845	0.2
148.01640	0.2
149.99619	0.2
151.00363	0.8
153.01944	2.0
171.04465	0.2
172.05229	0.2
184.05246	0.2
195.04552	0.2
196.05240	0.4
200.04750	0.2
211.03979	0.5
212.04703	0.3
239.03447	1.3
240.04262	1.8
267.02829	0.7
268.03741	68.8
269.04092	4.5
283.06091	100.0
284.06436	6.2
284.09631	0.2
423.83719	0.1
442.60846	0.1
585.62164	0.1
628.59235	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	875.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	14.9
71.53705	5.3
79.03535	3.5
87.00855	5.5
88.98788	19.3
89.02429	5.5
90.91666	4.0
94.97983	3.7
110.08645	4.0
113.02312	4.1
115.58195	4.1
116.92812	3.9
143.43045	3.7
166.94157	3.9
169.92249	4.3
171.10233	6.4
211.13344	6.1
223.13333	4.7
229.14549	4.5
235.08264	7.3
239.12897	4.0
239.68394	3.9
249.39272	3.9
253.09247	37.5
293.21210	100.0
294.21600	9.9
309.20645	5.3
327.21786	63.0
445.82370	4.6
496.70422	3.6
529.29932	12.7
545.29614	5.0
563.30322	20.4
603.41913	5.8
837.99878	5.3
839.51929	8.1
875.49243	48.9
876.49585	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	877.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	0.1
63.02386	0.4
65.00316	1.3
74.03958	0.1
76.49817	0.1
80.53832	0.1
81.81908	0.1
82.06287	0.1
83.01368	0.7
98.20657	0.3
105.03450	0.3
107.01376	2.1
108.06783	0.1
115.34822	0.1
121.02921	0.3
125.02420	0.1
132.02196	0.3
133.02942	11.7
134.03319	0.3
143.05040	0.2
149.02406	1.6
151.00354	4.5
169.06635	0.1
171.04488	0.3
173.02414	0.1
175.03976	2.8
176.04373	0.1
177.01845	0.1
185.06027	0.2
187.04041	0.1
189.05574	0.2
195.04445	0.1
197.06055	0.3
198.03180	0.3
199.03976	2.1
201.01910	0.9
211.03888	0.2
213.05508	0.4
215.03448	0.4
217.05042	1.5
223.03987	0.2
229.04994	0.2
239.03452	0.2
240.04227	0.1
241.04961	0.7
242.02278	0.1
243.02934	0.7
257.04535	0.4
267.03006	0.4
267.63943	0.1
268.03699	2.4
269.04089	1.5
270.04373	0.6
283.06085	2.8
284.06424	2.2
285.04010	100.0
286.04373	6.1
844.02344	0.1
893.85181	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	871.4657
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98803	4.0
69.03440	1.9
71.01378	14.2
71.53339	1.2
72.99300	1.4
73.02950	1.9
75.16714	1.5
85.02927	2.4
87.00871	2.8
89.02447	12.7
94.61604	1.2
97.02940	1.9
97.06586	2.3
99.00845	1.9
101.02441	10.7
101.40535	1.4
109.76063	1.4
113.02428	3.6
119.03501	2.7
125.02480	2.2
151.11267	9.4
161.04492	1.9
164.64832	1.3
165.50908	1.2
169.12331	62.6
170.12686	2.3
172.09154	1.3
213.11368	7.8
221.06590	5.6
253.09291	1.3
277.21716	15.1
293.21234	1.9
305.17615	3.1
309.20535	2.2
355.25479	1.5
397.13303	1.6
451.00226	1.4
611.25079	2.5
688.01532	1.5
698.89081	1.4
849.21686	1.9
871.46832	100.0
872.47321	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38657	1.5
61.98821	4.6
69.03415	1.6
71.01382	13.4
71.22256	2.8
72.98350	1.2
72.99287	1.2
73.02942	2.3
82.27155	1.3
83.01380	2.9
83.05023	1.4
85.02942	3.8
87.00883	2.6
87.31024	1.3
89.02445	12.1
95.05016	1.8
97.02920	1.4
97.06577	4.5
101.02435	7.6
113.02454	4.1
119.03452	2.5
119.24334	1.4
125.02451	1.7
151.11259	12.4
153.20961	1.3
161.04553	1.6
169.12335	38.7
170.12607	1.4
171.10284	1.6
192.00401	1.4
197.11766	1.5
209.11784	1.6
213.11282	5.7
221.06688	1.9
223.18266	1.3
233.78470	1.5
253.09135	1.7
277.21713	28.2
278.21976	2.4
289.17865	1.8
291.19443	1.4
293.21106	1.8
309.20871	2.1
397.13266	3.3
871.46930	100.0
872.47260	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	68.6
71.01379	93.8
71.53802	8.2
71.92783	8.2
78.95896	12.3
89.02441	47.6
96.96002	58.8
97.02927	11.4
101.02454	30.6
109.06567	15.2
113.02414	17.1
116.92849	12.4
119.03506	15.5
130.01210	9.6
171.10268	24.8
179.05666	21.4
183.13873	39.6
197.11813	10.9
199.09688	31.9
201.11205	17.3
207.10225	41.0
209.11836	60.8
211.13422	100.0
221.06734	10.8
225.11198	35.7
227.12866	19.0
309.20673	15.6
359.28949	9.4
375.21600	9.6
397.13538	68.1
409.49762	10.8
415.14612	20.6
579.22906	12.9
597.24048	10.1
605.24054	13.5
755.34882	11.7
773.35999	28.1
791.36792	25.8
799.36969	20.8
817.38068	46.7
818.38611	10.7
835.39520	45.7
871.37146	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.57563	0.1
62.98525	0.1
70.66845	0.1
71.01411	0.1
89.40005	0.1
101.02441	0.1
104.84845	0.0
195.22308	0.1
211.13420	0.2
277.21814	0.1
283.73761	0.1
290.48563	0.1
293.21274	0.1
294.21585	0.2
296.22284	0.1
396.96716	0.1
397.13593	0.1
403.68967	0.1
407.94907	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	868.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98510	0.1
63.07610	0.1
71.01382	0.1
73.55511	0.1
80.96519	0.4
82.96055	0.1
94.98153	0.1
98.19885	0.3
101.82449	0.1
111.00799	0.1
169.64331	0.1
203.74071	0.1
225.00502	0.1
228.99326	0.1
246.39040	0.1
290.36261	0.1
291.64975	0.1
472.76541	0.1
476.96655	0.1
505.80035	0.1
653.16473	0.1
868.50909	0.3
869.47998	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98536	0.1
71.00748	0.1
71.01398	0.1
80.96529	0.2
107.35851	0.1
120.21009	0.1
126.08749	0.1
138.34456	0.1
159.42851	0.1
277.21756	0.1
338.10587	0.1
451.79822	0.1
462.68713	0.1
868.50232	0.2
869.48083	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	6.6
63.96225	2.1
64.26176	1.0
68.97742	0.9
69.03445	1.3
71.01369	10.8
73.02916	1.6
78.95882	3.2
78.98591	7.5
79.95727	26.2
80.96513	100.0
81.03490	1.0
82.96078	2.0
84.04862	1.1
85.02939	4.7
87.00850	2.6
93.53531	0.9
94.98074	22.4
96.95975	2.2
97.02948	2.5
99.00845	1.6
101.02423	3.2
106.98090	4.7
122.97558	3.7
125.02433	4.4
127.03941	1.0
134.97578	7.6
136.99084	1.9
144.40298	1.2
148.99123	9.0
152.98622	9.3
156.96790	1.1
164.98619	15.1
169.73154	1.0
174.49457	0.9
196.89531	0.9
206.99702	5.2
225.00735	29.1
277.21606	1.8
436.18643	1.0
505.17297	3.0
559.25610	3.2
584.75128	1.1
608.22015	1.0
653.71698	1.1
689.14392	1.2
783.39868	73.5
784.40338	10.8
823.42224	1.1
851.45990	7.7
852.45874	2.0
869.46930	52.3
870.47339	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	870.47
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.01388	0.3
89.98133	0.2
95.00365	0.1
101.02493	0.2
110.52215	0.2
112.98601	0.2
171.10289	0.5
172.10603	0.3
211.13434	0.3
255.23389	0.4
256.23599	0.3
397.13611	0.2
398.13705	0.2
496.76993	0.2
507.65326	0.2
728.25580	0.2
785.17224	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	37.1
71.01381	85.3
71.53723	10.7
73.02953	9.0
83.13133	6.7
83.53354	6.3
85.02916	9.0
87.00871	7.9
89.02449	45.1
96.96012	77.4
99.00877	9.6
101.02442	35.8
107.58276	6.7
113.02470	8.3
116.92838	10.4
119.03490	12.3
150.06580	7.5
161.04553	8.8
163.11238	8.8
171.10254	27.3
179.05513	10.9
181.12238	8.5
183.13831	38.8
199.09814	31.5
207.10266	44.1
209.11787	44.4
211.13377	100.0
224.11209	6.7
225.11305	35.4
227.12857	24.8
235.08078	7.2
253.09232	9.0
327.21591	9.4
375.21613	10.2
377.29642	7.9
379.12463	12.9
397.13516	90.7
406.74649	6.5
415.14392	15.2
466.64896	8.9
609.27222	8.5
625.26959	7.0
755.34308	16.5
773.36481	18.6
791.36969	22.5
799.37476	35.8
817.38354	36.1
818.39063	10.2
832.91803	8.0
835.39941	40.4
836.39142	9.6
871.37061	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	21.0
71.01381	21.5
73.02927	2.6
80.02687	1.5
81.03446	1.9
83.01368	3.7
83.05020	7.9
85.02956	4.7
87.00866	3.6
89.02441	16.5
91.10602	1.1
95.01367	1.7
96.96004	2.3
97.02939	4.4
99.00865	1.7
101.02440	14.8
106.66047	1.2
113.02430	5.9
119.03489	4.0
121.02910	1.4
124.54436	1.2
125.02428	6.5
126.10050	1.4
135.08118	1.7
161.04547	1.7
163.11232	6.5
165.12868	9.2
179.05690	2.6
181.12383	2.2
183.13896	43.8
191.10864	1.7
207.10223	4.1
208.26205	1.4
209.11816	82.1
210.12143	3.4
211.13347	3.7
221.06616	2.4
225.11284	4.8
227.12912	10.0
233.64143	1.4
235.08214	2.9
310.70090	1.5
359.96350	1.5
397.13358	5.4
415.14392	1.4
711.28394	1.5
817.38147	2.6
835.39612	100.0
836.39545	15.9
867.42133	16.6
868.42950	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	867.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	0.6
68.35316	0.2
69.03451	0.6
69.48542	0.5
69.48953	0.9
71.01382	7.9
72.99313	0.5
73.02943	1.5
75.87433	0.2
80.02674	1.3
81.03458	1.7
81.59175	0.2
83.01389	1.0
83.05025	5.6
84.02164	1.0
85.02944	1.6
87.00881	1.9
89.02442	7.4
93.03448	0.4
95.01385	0.6
95.05016	0.7
97.02943	1.4
99.00877	0.4
101.02440	5.6
102.02747	0.2
107.89206	0.2
109.02955	0.3
109.91952	0.2
113.02451	3.8
119.03504	2.0
121.02950	0.3
125.02444	2.3
125.06091	0.5
131.03546	0.5
135.04491	0.3
135.08176	0.6
139.03976	0.3
143.03500	1.0
147.11703	0.3
149.04366	0.3
150.03239	0.3
161.04561	2.2
163.11279	4.1
165.01991	0.2
165.12836	2.7
171.10265	0.5
179.05629	1.9
181.12337	0.8
182.12578	0.3
191.10791	1.3
199.13249	0.3
207.10316	0.3
209.11809	100.0
210.12140	4.5
210.13998	0.4
211.13512	0.4
217.07179	0.5
221.06673	0.5
223.13438	0.3
225.11238	0.3
227.12868	15.2
228.13199	0.8
235.08159	2.4
236.08456	0.3
251.12866	0.4
253.09387	0.3
259.08130	0.3
268.16061	0.3
283.05975	0.3
287.07803	0.8
305.08725	0.7
320.78131	0.2
323.09915	0.7
331.26517	0.2
379.12445	4.4
380.12875	0.3
390.18088	0.2
397.13474	20.4
398.13754	1.5
415.14520	5.2
508.15161	0.2
535.11542	0.3
569.24097	0.2
589.24908	1.3
607.25903	2.4
608.26440	0.4
612.35876	0.3
680.79834	0.3
799.37457	0.8
817.38580	0.5
823.39447	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.277
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02408	0.4
65.00322	0.5
67.21684	0.3
71.53791	0.4
73.02962	0.5
83.01398	0.4
85.02964	0.5
89.02419	0.5
92.25121	0.3
101.02446	0.4
107.01397	1.1
113.02454	0.5
125.02446	0.4
133.02943	1.8
134.03723	0.8
149.02432	1.0
151.00371	2.0
165.05501	0.5
165.09300	0.3
166.02676	0.3
166.81676	0.3
168.10248	0.3
175.04005	0.5
195.06612	0.5
199.04068	0.7
201.01784	0.3
206.91656	0.3
217.05103	0.3
227.03455	0.3
228.04362	0.4
240.04279	0.3
241.04955	0.4
255.02910	0.4
256.03726	1.4
257.04333	0.4
284.03253	35.3
285.04019	81.3
286.04367	6.2
300.02878	0.3
327.05093	1.0
373.18695	0.7
447.09286	100.0
448.09589	9.9
449.09781	0.5
555.28601	0.3
646.53949	0.4
865.26544	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.402
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.01386	0.5
71.53802	0.2
78.95914	0.1
89.02449	0.2
92.62817	0.1
96.96014	0.1
101.02428	0.1
111.67793	0.1
181.20238	0.1
194.05473	0.1
207.10330	0.1
209.11838	0.2
211.13388	0.6
212.13730	0.2
213.56422	0.1
225.11298	0.2
397.13263	0.1
550.67456	0.1
626.81079	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	866.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
62.70684	0.1
71.01393	0.3
96.96030	0.3
113.02487	0.1
120.58975	0.1
163.59709	0.1
171.10284	0.2
191.05472	0.1
207.10324	0.2
209.11913	0.2
225.11281	0.2
229.02727	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
71.01402	0.3
71.53098	0.3
137.30646	0.2
171.10287	0.3
201.11327	0.2
255.23224	0.3
294.21539	0.3
387.93661	0.3
410.18274	0.2
589.82257	0.2
731.30292	0.3
746.21027	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98539	0.2
70.07423	0.4
70.07845	0.2
80.96510	0.1
101.75243	0.1
113.76992	0.1
129.74753	0.1
142.44983	0.1
168.46501	0.1
211.13422	0.7
212.13773	0.3
233.23338	0.1
253.09441	0.2
277.21716	0.9
278.22220	0.6
291.19675	0.7
292.20105	0.5
491.30743	0.1
525.88623	0.1
586.09723	0.1
867.46106	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	866.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98542	0.1
70.58794	0.3
71.01379	0.1
78.95935	0.2
78.98589	0.1
79.95737	0.2
80.96514	1.5
83.75119	0.1
84.59464	0.1
94.98078	0.2
108.59020	0.1
136.18201	0.1
164.98682	0.3
205.20197	0.1
225.00812	0.3
686.07196	0.1
828.08374	0.1
866.50470	1.7
867.49719	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	3.4
68.29939	0.4
69.03446	1.3
70.37426	1.4
71.01378	17.4
72.99308	1.5
73.02943	2.5
81.03448	0.5
83.01383	2.0
85.02951	3.7
87.00870	3.1
89.02437	13.5
95.01376	1.3
97.02940	2.2
97.06557	0.5
98.20652	0.5
99.00884	1.2
101.02434	12.6
111.04514	0.5
111.08170	0.8
113.02446	6.0
119.03479	2.5
121.59560	0.4
125.02447	3.5
131.03456	0.6
143.03493	1.1
145.03009	0.4
161.04529	1.4
165.12810	6.3
179.05602	1.0
183.13882	40.5
184.14172	2.1
206.18488	0.4
209.11835	1.4
221.06679	1.6
227.12823	2.6
235.08260	1.9
253.09177	0.8
255.23265	57.2
256.23627	3.7
287.07837	0.5
291.19598	0.9
293.17737	0.4
293.21136	1.9
338.97363	0.5
379.12244	1.1
397.13434	6.4
398.14090	0.5
415.14566	1.2
607.25598	0.7
625.26532	0.8
863.50012	100.0
864.50348	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	863.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	9.7
71.01366	3.6
71.52354	1.6
73.02941	1.5
78.95919	1.7
80.96520	1.6
85.02961	1.8
87.00856	1.3
89.02448	3.8
96.36639	1.2
101.02445	3.4
105.96803	1.2
109.06583	4.2
161.04637	1.5
195.13881	1.4
209.11798	1.8
231.37904	1.2
235.08141	5.6
245.19096	1.8
253.09238	9.9
255.23174	1.9
277.21695	100.0
278.22052	6.9
289.18060	72.5
290.18436	4.3
307.19061	4.4
313.75702	1.2
353.81281	1.2
358.44540	1.3
525.27063	3.0
676.73846	1.2
823.48199	1.5
853.86951	1.5
863.49225	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	864.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98540	0.2
71.01394	0.5
71.53113	0.3
71.66304	0.1
89.02457	0.4
101.02468	0.3
125.02477	0.2
140.49030	0.2
165.63432	0.2
171.10272	1.3
183.14015	0.2
209.11823	1.7
210.12163	0.3
211.13394	0.4
213.15001	0.7
217.63162	0.1
225.11456	0.2
227.12927	0.6
237.14952	0.4
255.15965	0.2
338.75842	0.2
786.39166	0.3
832.18317	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	2.1
69.03438	1.0
71.01378	17.0
71.15386	0.5
71.15733	0.7
72.99289	1.3
73.02953	3.3
80.02671	0.7
81.03450	2.0
83.01389	2.0
83.05016	4.6
84.02162	0.5
85.02943	3.6
87.00873	3.4
87.73718	0.4
89.02441	13.6
95.01341	1.1
95.04983	0.7
97.02925	2.4
99.00878	1.2
101.02444	11.8
109.21349	0.4
113.02457	7.6
116.83263	0.4
119.03506	3.4
121.02923	0.5
125.02446	6.3
125.06040	0.6
135.08260	0.5
139.04008	0.9
140.39134	0.4
141.01750	2.1
143.03493	2.7
143.53621	0.5
147.11896	0.5
161.04543	3.9
163.11299	4.4
165.12810	2.4
167.03426	0.6
179.05632	3.3
180.05629	0.5
180.45363	0.4
181.12325	0.7
191.10814	0.8
199.13380	1.0
204.72115	0.6
209.11816	100.0
210.12129	4.4
217.07196	1.2
221.06598	1.4
227.12881	19.6
228.13156	0.9
233.55708	0.5
235.08202	4.8
253.09250	1.0
255.23277	54.6
256.23569	3.4
259.08212	0.6
277.21738	0.5
287.07828	2.3
305.08853	2.2
323.09839	1.0
353.60385	0.5
379.12436	9.9
397.13498	40.1
398.13751	2.5
400.51862	0.6
415.14581	6.9
490.19891	0.5
560.88641	0.5
589.25256	1.2
607.26154	2.2
635.36285	0.8
653.37396	2.5
838.85748	0.6
863.50153	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
60.32561	0.4
61.98820	1.6
62.43810	0.4
69.03459	1.1
70.07688	0.7
70.08105	1.4
71.01378	18.6
71.63590	0.4
72.99290	1.2
73.02937	2.4
75.00860	0.6
76.28056	0.5
80.02646	0.6
81.03461	2.0
83.01382	2.3
83.05025	5.8
84.02149	0.9
85.02945	4.6
87.00880	4.1
87.81602	0.4
88.44765	0.4
89.02440	14.3
95.01389	1.4
95.05034	1.0
97.02957	2.3
99.00887	1.0
101.02438	14.0
109.02937	0.5
109.06586	0.5
113.02446	6.8
115.04037	0.7
116.92889	0.4
119.03498	3.1
124.01652	0.5
125.02438	6.0
125.06039	0.4
131.03482	0.5
139.04047	0.5
141.01933	0.5
143.03506	2.3
161.04527	3.1
163.11293	4.4
165.12848	3.1
179.05623	3.8
181.12363	0.6
185.04503	0.7
191.10794	1.3
209.11810	100.0
210.12123	4.5
217.07115	1.1
221.06664	1.0
227.12875	12.7
235.08220	4.6
253.09177	1.0
255.23271	53.9
256.23648	3.2
259.08093	0.8
263.07620	0.7
269.24942	0.6
287.07733	1.7
297.24384	0.5
305.08914	2.1
323.09888	1.3
379.12482	8.9
380.12799	1.0
397.13464	39.6
398.13809	2.1
415.14468	8.4
416.14835	0.4
543.32312	0.6
589.25287	0.8
607.25897	1.2
653.37463	2.7
863.50317	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	5.2
63.96207	2.0
69.18107	2.0
71.01391	11.9
73.02956	2.1
78.95897	3.8
78.98577	8.6
79.95729	30.5
80.96516	100.0
85.02940	4.0
87.00921	4.5
90.71790	2.2
94.98093	23.5
96.95998	3.9
97.02931	3.1
101.02431	4.6
106.98075	5.9
122.97575	5.0
125.02477	5.0
134.97556	8.2
136.99080	2.7
148.99135	10.8
152.98636	9.0
164.98651	14.3
206.99644	3.2
225.00740	27.5
229.48393	2.5
241.01100	2.1
255.23206	5.6
495.39322	2.4
537.26685	3.5
815.42841	9.3
843.45630	9.4
844.46069	2.4
861.46747	99.7
862.46967	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	863.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	4.6
71.01363	7.7
71.27344	3.4
73.02956	1.6
78.95895	5.0
78.98575	6.8
79.14465	1.4
79.95732	38.4
80.96514	85.4
81.95265	1.7
82.96076	2.8
85.02936	3.4
85.58660	1.4
87.00879	3.6
94.98079	20.8
95.32513	1.4
96.95999	1.9
101.02463	2.2
106.98102	3.4
122.97558	5.3
125.02442	3.5
134.97562	5.2
136.99181	2.9
148.99091	7.7
152.98581	6.4
164.98634	14.2
206.99670	3.3
211.13274	1.5
225.00731	22.8
241.01028	1.6
255.23224	4.0
311.16885	1.9
313.62198	1.5
537.27307	3.3
777.40649	2.0
817.43103	1.7
845.46490	2.4
863.48163	100.0
864.48505	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	863.492
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	1.2
70.98129	2.2
71.01339	1.0
78.95901	86.5
79.95729	3.6
80.96519	7.3
94.98059	1.3
96.96966	17.7
107.53364	1.1
111.08126	3.4
122.97582	2.4
125.09657	1.2
145.01909	1.0
152.99594	15.6
164.98511	1.1
165.12816	1.3
169.12292	1.6
195.13905	3.3
197.11841	11.6
209.11844	1.1
211.13397	3.4
223.00110	6.0
223.13359	7.2
241.01189	35.6
255.23265	52.1
256.23578	3.9
259.02219	2.7
291.19504	9.7
295.61633	1.1
297.03766	2.1
309.20584	2.2
315.04791	1.6
391.22430	4.2
553.27747	3.8
777.41724	11.3
778.41876	1.2
786.92798	1.1
787.08203	1.1
822.56604	1.2
845.47662	9.3
863.49219	100.0
864.49451	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	861.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02398	0.5
63.21884	0.3
65.00331	0.6
66.73948	0.3
73.02934	0.4
83.01375	0.6
85.02932	0.6
96.96017	0.3
98.20718	0.7
101.02423	0.9
107.01371	0.8
109.02961	0.3
113.02439	0.8
121.02931	0.2
125.02392	0.3
133.02945	1.8
134.03720	0.5
149.02419	0.6
151.00375	2.3
158.00217	0.2
158.19287	0.2
165.01848	0.3
165.09193	3.9
171.04507	0.2
175.03979	1.1
187.04018	0.2
195.06601	0.4
199.03908	0.9
200.04712	0.3
201.01974	0.3
211.03947	0.5
212.04512	0.3
213.05551	0.3
217.05006	0.6
227.03418	0.5
239.03482	0.3
241.04887	0.4
243.02965	0.6
252.70490	0.3
255.02975	0.3
256.03693	1.8
257.04160	0.2
283.02496	0.4
284.03226	38.1
285.04001	87.3
286.04370	5.1
309.13400	7.7
310.13666	0.6
327.05066	1.2
327.14471	5.0
343.23932	0.2
369.15485	10.9
370.15793	0.9
407.95242	0.3
447.09262	100.0
448.09622	8.9
731.22998	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	25.7
69.58000	10.1
71.39743	8.8
116.92873	74.3
130.18489	11.3
139.31100	10.9
191.36340	9.7
197.11852	27.4
206.89334	11.4
219.55426	10.8
229.03581	12.7
253.09155	50.6
260.87598	10.9
291.19763	25.4
293.21228	96.0
309.20715	73.6
316.62277	10.1
397.13480	13.4
857.48199	100.0
858.48608	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	23.2
70.35699	17.6
70.36068	9.8
76.29679	6.3
90.64171	6.6
101.02348	6.6
116.92906	6.6
165.76776	6.4
171.10225	8.9
208.86620	5.9
210.93022	6.7
211.13324	8.4
235.08197	19.5
253.09315	36.6
277.21704	86.3
288.52216	6.4
309.20544	15.7
327.21692	100.0
463.40445	6.6
513.30432	12.3
529.16846	6.8
545.29449	17.6
563.30469	20.9
784.38873	9.2
823.52246	17.9
859.49707	44.7
860.49005	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	855.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	2.3
68.29942	0.5
69.03429	2.0
71.01385	6.7
72.99285	0.5
73.02934	2.0
76.47105	0.4
77.10722	0.5
80.02661	0.8
83.01370	1.2
83.05014	2.0
85.02949	7.2
87.00857	1.7
89.02446	3.9
95.01382	0.7
95.04997	0.9
96.96001	0.8
97.02940	1.8
97.06593	1.9
99.00860	0.5
101.02441	6.7
107.05025	0.4
109.06593	0.7
111.08163	8.1
113.02444	3.0
116.92814	0.8
119.03500	1.2
123.08138	0.4
125.09730	0.9
127.11242	1.2
131.04594	1.0
133.05103	0.6
137.09734	2.5
145.05045	2.1
161.04556	3.8
165.12921	0.6
167.10765	1.6
171.10266	20.4
177.12848	1.9
179.05676	0.4
179.10728	1.3
180.57581	0.5
183.13847	2.1
185.11777	0.8
193.12312	1.0
195.13893	5.6
197.11781	2.1
200.33153	0.6
201.11292	1.2
209.11819	11.7
211.13359	8.6
212.13641	0.6
221.11832	1.9
223.13254	0.8
227.12892	1.3
229.14401	4.0
235.08232	9.0
236.08481	0.8
239.12894	1.2
247.20627	2.6
253.09250	18.5
254.09537	0.8
273.18683	0.9
275.20114	2.3
291.19641	100.0
292.20004	7.5
293.21240	7.1
294.21542	0.9
307.19095	0.8
309.20712	5.5
310.21051	0.5
327.21741	74.5
328.22122	5.5
527.28632	3.3
545.29858	0.8
563.30780	1.7
601.41217	0.8
750.46533	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98809	54.2
71.52427	22.6
76.70547	18.2
76.78069	18.9
78.33243	19.5
83.74261	20.7
86.32916	19.9
92.81435	21.9
96.95984	37.1
133.11858	24.5
143.93231	25.7
184.15346	21.1
194.51622	23.8
197.11789	23.0
232.90617	23.1
253.09337	22.0
289.17975	26.2
293.21164	83.6
301.43521	25.4
307.18997	46.3
455.70352	23.9
522.90564	30.1
633.86517	23.3
855.46484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	4.7
66.71861	0.7
69.03442	2.2
69.96068	3.3
71.01385	7.7
73.02930	1.8
78.04453	0.7
78.84059	0.7
78.95872	0.8
82.23218	0.7
83.01395	1.5
83.05046	1.5
85.02956	9.5
87.00861	1.8
89.02438	5.8
95.01431	0.9
96.96008	2.2
97.02927	4.6
97.06590	2.3
98.20668	0.7
101.02437	5.8
110.03721	0.8
111.08147	5.3
113.02453	3.7
117.34631	0.7
119.03492	1.9
125.09714	1.8
127.11233	1.3
137.09723	2.0
143.03447	0.9
144.21082	0.7
145.05070	1.2
151.11150	0.7
155.10857	1.1
161.04512	3.7
163.11322	1.0
165.09204	0.9
165.12833	4.1
167.14206	0.7
169.12315	1.8
171.10268	27.2
177.12880	1.3
181.12306	1.5
183.13881	2.9
185.11790	1.3
193.12262	1.6
197.11829	26.7
198.12193	0.9
199.13359	1.5
209.11818	2.6
211.13373	20.9
212.13721	1.4
221.11778	3.1
227.12871	3.2
229.14410	12.1
235.08199	8.4
239.12814	1.8
247.20663	2.4
253.09254	34.8
254.09592	2.0
263.20081	1.5
265.17996	0.8
273.18597	1.3
291.19641	29.8
292.19995	3.0
309.20694	86.4
310.21051	6.4
327.21747	100.0
328.22052	7.4
386.26389	0.7
433.20749	1.0
469.45053	0.7
527.28632	0.9
545.29547	5.8
563.30859	9.8
619.42346	5.0
855.51575	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.466
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	21.2
71.01378	22.8
71.52336	13.8
76.11223	10.5
77.54652	9.8
85.02987	9.7
89.02436	15.1
101.02465	11.8
113.02408	10.3
116.92860	14.5
127.21794	10.4
146.45592	10.7
197.11829	100.0
221.38756	10.4
277.21719	65.2
291.19629	49.9
292.20001	17.6
293.21106	29.0
307.18848	14.7
309.20688	23.3
397.13409	37.1
709.62793	10.8
747.01837	11.8
763.57813	11.1
819.49042	16.5
855.46729	32.4
856.47760	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	853.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	5.7
69.03453	5.9
71.01376	23.6
71.08006	2.8
71.08337	2.1
73.02937	3.3
75.24104	1.7
75.46353	1.9
78.95955	1.6
79.22352	1.7
80.02679	1.7
81.03461	4.9
83.01389	7.6
83.05021	4.8
84.02171	5.5
85.02936	6.0
87.00865	5.1
89.02438	12.5
95.05012	3.8
96.96005	4.3
97.02937	9.8
97.06581	11.8
99.00893	2.0
101.02439	17.2
111.08155	16.9
113.02429	7.0
119.03412	3.6
119.08689	2.8
123.04546	4.4
123.08160	4.4
125.09725	16.7
135.08154	2.2
137.09723	10.2
143.03490	2.2
151.11287	3.7
153.12883	1.9
161.04553	8.7
163.11295	10.1
165.12851	8.0
167.10765	6.3
169.12285	6.7
171.10266	29.2
177.12923	2.5
179.14453	2.2
181.12263	6.6
185.11812	15.0
191.10732	2.7
191.14333	10.8
193.12375	7.6
195.13907	8.6
197.11813	77.0
198.12204	3.1
199.13416	3.7
207.10283	6.0
209.11815	30.0
209.23943	1.7
211.13435	15.9
223.13390	7.0
225.11322	2.6
225.14871	9.6
227.12820	13.2
235.08221	5.4
237.11171	2.6
243.15927	5.5
245.19051	17.9
246.19643	2.0
247.20764	3.7
253.09251	59.9
254.09579	2.5
263.20282	8.5
265.18103	2.6
271.16943	2.9
273.18582	2.6
275.20114	5.4
281.21426	2.0
289.14755	2.5
289.18066	76.3
290.18408	7.2
291.19650	62.2
292.19940	5.5
293.21204	100.0
294.21515	7.4
307.19128	62.4
308.19476	3.4
309.20685	90.0
310.21008	6.4
323.22058	2.0
341.23267	77.5
342.23602	6.3
445.20712	3.3
529.30426	2.6
577.32520	3.6
617.44232	6.1
650.23334	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	2.4
68.99560	1.7
69.03440	1.6
71.01375	12.2
71.52771	1.2
73.02937	1.6
81.03448	2.9
83.01369	3.1
83.05018	2.9
85.02952	3.5
87.00864	3.2
89.02435	6.1
95.01389	1.3
95.05015	2.4
97.02935	3.1
97.06580	4.0
101.02461	7.8
101.06084	1.2
109.06573	2.1
111.04563	1.1
111.08134	10.6
112.98566	1.3
113.02435	5.1
115.03838	1.2
116.92857	1.5
121.10204	1.1
122.39965	1.2
123.04512	2.6
123.08144	2.5
125.09740	6.9
127.07676	1.6
135.08197	1.7
137.09737	3.6
149.06047	1.2
161.04529	3.6
163.11301	6.5
165.12865	2.8
167.10767	5.5
171.10233	3.7
177.12840	3.5
179.05640	1.3
179.10759	3.0
185.11829	6.4
191.14392	6.1
193.12233	1.3
195.13890	9.8
197.11760	2.6
207.10245	3.9
209.11813	14.1
210.12282	1.4
211.13402	3.8
213.36929	1.1
225.11313	2.7
227.12814	2.4
235.08163	1.7
245.19102	11.8
247.20615	4.2
253.09253	15.3
253.16461	1.2
258.42883	1.0
263.20187	2.3
271.17010	1.6
273.18649	2.1
275.20099	4.5
277.21735	3.9
289.18057	39.9
290.18292	2.1
291.19650	100.0
292.19955	8.0
293.21109	5.0
307.19104	28.7
308.19495	2.1
309.20908	7.2
364.19846	1.2
583.63794	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98539	0.1
94.82904	0.1
98.20667	0.2
107.03684	0.1
128.12741	0.1
130.15237	0.1
131.66611	0.1
468.75385	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	853.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	13.4
63.96217	2.0
66.43922	1.4
70.97881	1.3
71.01388	9.2
73.02913	1.7
78.95898	5.6
78.98585	5.3
79.95289	2.0
79.95734	32.3
80.96515	88.6
83.07018	1.3
84.15125	1.4
85.02944	2.8
87.00876	4.0
94.98082	20.7
96.55719	1.3
99.92570	1.5
101.02449	2.0
106.98067	4.0
122.97561	4.1
125.02426	3.7
134.97583	4.3
136.99188	1.5
148.99141	7.3
152.98657	9.2
164.98618	14.0
193.79990	1.6
206.99693	3.9
225.00728	19.8
241.00128	1.8
279.06699	1.4
283.04678	1.9
341.05194	1.8
575.25604	2.3
715.38391	1.7
720.72485	1.9
853.47693	100.0
854.48169	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	17.8
59.45497	2.5
61.98828	5.6
69.03445	3.9
71.01374	19.5
71.05018	4.8
73.02941	5.9
76.83450	2.6
81.03454	5.6
83.01390	6.4
83.05016	6.9
85.02944	9.8
87.00861	5.6
88.34382	2.4
89.02441	12.1
95.01343	3.9
95.05008	7.6
97.02979	12.7
97.06583	9.6
99.04510	8.0
100.04880	2.5
101.02440	18.7
109.06599	4.8
111.00885	3.3
111.04521	4.4
111.08148	8.0
113.02446	10.2
116.92844	3.1
119.03501	4.6
121.02937	3.2
121.06615	3.3
122.03738	3.6
123.04517	5.6
123.08163	5.8
125.09708	19.6
135.04474	3.0
135.08131	8.5
136.31743	3.0
137.06004	2.3
137.09743	8.2
139.07574	5.0
141.38092	2.2
143.03383	2.6
149.06148	2.8
151.11266	2.8
153.09227	7.0
155.10744	20.8
161.04552	5.1
163.11270	10.8
165.09172	5.4
165.12843	6.5
167.10759	2.7
171.10289	14.2
177.12816	5.2
181.12344	5.2
183.10240	12.5
185.11810	12.7
189.12827	4.2
191.14456	5.9
195.13895	19.5
197.11868	5.8
199.09737	11.6
200.88165	2.2
201.11256	7.6
207.10239	6.8
209.11830	21.0
209.15448	3.0
211.13391	5.8
213.11285	28.0
221.11737	7.0
223.13359	7.3
225.11195	5.7
227.12851	4.6
233.11615	3.0
233.28958	2.4
235.08212	7.6
235.13339	7.5
236.75000	2.5
237.14973	4.7
243.17503	3.9
245.19072	9.3
247.13464	3.8
247.20663	3.8
249.14946	2.9
253.09271	39.0
253.14470	7.8
259.16873	3.0
261.18649	4.1
263.12802	7.5
275.20123	4.3
277.18115	3.7
278.67389	2.4
279.19620	6.0
285.15024	4.6
287.16461	16.5
289.18048	34.2
290.18491	4.1
291.19638	91.8
292.19757	4.5
293.21182	50.6
294.21448	5.8
303.15887	10.6
305.17542	27.3
307.19193	20.2
309.20676	100.0
310.21234	5.5
321.16843	3.2
323.18643	32.5
419.19107	9.3
462.00140	2.9
541.26068	3.4
559.27332	4.9
800.86005	3.0
833.47449	4.7
851.50482	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	850.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98826	100.0
62.98534	0.2
63.99249	0.4
71.01385	0.2
71.52625	0.4
79.95750	0.2
80.58264	0.2
85.03994	0.2
89.02419	0.2
96.96029	0.4
116.66013	0.2
135.08183	0.2
149.08362	0.2
160.99730	0.1
171.10304	0.3
209.11829	0.3
224.32234	0.2
232.72554	0.2
291.19745	0.2
309.20563	0.2
313.98792	0.2
330.67245	0.2
538.89441	0.2
654.38928	0.2
697.24103	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
62.98519	0.1
70.65058	0.2
71.01366	0.2
95.17365	0.1
95.58490	0.1
98.90177	0.1
171.10181	0.1
209.11758	0.5
225.11307	0.2
314.78952	0.1
496.22586	0.1
509.43365	0.1
614.98926	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	851.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.3
65.00060	0.1
65.00356	0.3
67.94432	0.1
70.09011	0.3
70.09411	0.2
80.02668	0.4
81.03452	0.4
83.04567	0.2
83.05022	2.0
84.02145	0.6
95.05022	0.3
107.01446	0.1
108.24879	0.1
111.07463	0.1
115.64332	0.1
117.03528	0.2
125.06075	0.2
125.09705	0.2
135.08153	0.2
137.74889	0.1
149.71539	0.1
151.00371	0.3
163.11281	1.5
165.12828	0.8
171.04498	0.2
181.12349	0.1
190.18074	0.1
191.10701	0.4
209.11807	29.7
210.12163	1.3
211.03981	0.2
227.12869	14.8
228.13217	0.8
239.03491	0.3
240.04294	0.6
259.15509	0.9
267.02975	0.3
268.03738	46.2
269.04071	2.5
283.06085	100.0
284.06430	7.1
284.09653	0.3
591.17261	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01710	0.8
69.03118	0.3
69.03456	1.4
69.76280	0.3
71.01375	29.1
72.84225	0.3
72.99297	1.0
73.02941	41.9
74.03285	0.4
75.00858	1.0
81.03461	0.6
83.01379	12.8
85.02945	4.4
87.00890	1.0
89.02444	6.0
95.01377	2.0
97.02962	1.0
99.00877	0.7
101.02436	39.4
102.02766	0.5
105.63984	0.3
108.02151	0.6
113.02442	15.7
114.02770	0.5
119.03490	6.4
125.02465	2.0
131.03484	5.1
141.07123	0.7
143.03493	6.2
143.04961	2.4
147.02942	0.4
149.04538	10.9
150.03149	0.4
152.01146	1.0
155.03479	1.8
157.06561	0.6
159.08141	0.9
161.04539	19.6
162.04883	0.6
165.01842	0.7
165.06940	0.3
166.02690	0.8
179.05591	0.5
181.01399	1.1
181.05074	2.9
182.05214	0.3
183.08119	1.3
185.06053	5.8
195.06618	0.9
196.03763	1.1
203.05580	2.8
211.06082	2.1
221.06621	8.4
227.07111	60.8
228.07471	4.0
389.12354	10.4
389.17194	0.6
390.12701	1.0
415.23276	3.2
422.67349	0.3
595.22131	0.4
626.33246	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	10.9
61.98819	3.6
71.01374	12.5
71.51077	1.3
71.52649	1.3
73.02949	2.9
79.51864	1.2
83.01374	1.6
85.02923	2.4
87.00874	2.4
89.02438	10.9
97.02922	1.5
97.06609	3.3
99.00922	1.4
101.02438	9.2
106.13381	1.1
113.02441	2.5
117.03444	2.1
119.03441	1.7
119.05018	1.7
125.02426	1.3
133.75858	1.4
145.02951	3.8
151.11295	9.5
169.12329	31.6
180.71834	1.3
213.11316	3.8
221.06520	1.9
235.08148	2.2
255.23256	37.9
256.23599	3.6
359.12274	1.2
395.25739	1.6
448.92270	1.5
593.25195	1.5
849.48395	100.0
850.48730	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	848.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
61.09178	0.1
61.98828	100.0
63.99255	0.2
70.05064	0.1
71.01382	0.2
72.42665	0.1
77.52521	0.1
82.18333	0.2
88.98825	0.2
127.07601	0.2
130.51251	0.2
135.70976	0.1
147.16534	0.1
171.06694	0.1
173.01140	0.1
173.04558	0.2
192.18703	0.1
209.11777	0.2
248.69215	0.1
362.72632	0.1
487.26318	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	849.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.2
63.34561	0.6
65.00336	0.8
65.87191	0.5
71.01376	2.3
72.99319	1.1
73.02957	1.4
75.00872	27.7
83.01387	1.0
84.02163	14.8
84.02646	0.9
85.02972	2.6
85.95039	0.6
87.00899	1.6
87.09803	0.6
92.54400	0.6
98.85145	0.6
99.00900	0.6
99.04505	6.7
101.02433	1.1
107.01402	1.5
108.02165	0.8
109.02964	1.3
113.02480	2.0
117.03468	2.0
119.05065	0.7
121.02955	1.4
125.02446	1.2
134.03735	27.6
135.04112	0.8
143.03496	0.7
146.03743	1.4
149.06073	2.4
150.03154	1.3
151.00352	6.8
152.01151	0.8
160.01637	2.1
161.02448	1.2
163.00372	0.7
164.04817	1.2
165.01942	1.3
165.05551	1.4
173.04538	0.7
173.37921	0.6
175.03967	3.1
178.99834	4.2
179.07129	1.2
191.05606	31.5
192.05954	1.0
193.05028	17.7
193.08751	0.9
194.05508	1.0
195.06660	1.7
196.27837	0.7
209.06641	46.1
210.07014	0.8
211.04042	0.7
227.03490	1.3
229.04942	0.8
243.02959	6.2
254.02249	2.3
255.02956	15.0
271.02460	30.5
272.02802	1.8
299.01852	0.8
300.02719	62.5
301.03442	31.4
302.03912	2.1
309.09686	0.8
312.48077	0.6
341.25046	0.7
352.10934	0.7
385.11386	100.0
386.11685	7.3
421.15125	1.1
463.08792	82.8
464.09167	8.5
601.23090	0.9
751.59412	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.9
61.98826	3.3
63.96220	1.5
64.97044	0.5
69.03459	1.4
69.73069	2.3
71.01379	11.2
71.01775	0.6
73.02950	1.8
78.95896	2.4
78.98586	7.9
79.95364	0.3
79.95732	24.1
80.96513	100.0
81.03474	0.8
81.95338	0.6
82.96098	1.3
85.02951	3.5
85.73763	0.5
87.00871	4.1
94.54967	0.4
94.98082	22.9
96.96011	1.3
97.02941	2.2
99.00874	1.5
99.92661	0.6
101.02470	2.8
102.72572	0.5
106.98103	3.9
113.02522	0.5
122.01790	0.5
122.97578	8.4
125.02436	4.1
127.03963	1.0
134.97581	8.0
136.99170	2.2
146.97571	0.7
148.99126	7.3
152.98616	8.5
152.99731	0.8
161.04555	0.5
164.98615	16.0
167.00159	0.9
179.00299	0.8
195.13849	0.6
200.47270	0.4
206.99646	4.2
223.13364	0.9
225.00722	30.4
226.01118	1.0
241.01013	0.6
245.11386	0.5
255.23270	4.0
282.26740	0.5
283.04932	0.8
293.21176	0.6
505.17319	2.9
507.31799	0.5
537.26947	2.6
591.24786	1.1
761.41449	51.8
762.42029	9.5
766.53168	0.5
784.05347	0.6
829.47772	5.2
830.47504	1.3
847.48700	69.2
848.49127	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.9
63.96218	2.0
69.03457	0.6
70.01601	1.6
71.01380	11.3
71.01779	0.6
72.99302	0.5
73.02933	2.7
78.98590	8.0
79.95735	20.6
80.96513	100.0
81.03447	1.3
82.96093	1.5
83.01404	0.9
85.02944	4.1
87.00868	3.6
94.13768	0.3
94.98081	21.8
95.01409	0.4
96.96007	1.9
97.02946	2.2
99.00896	0.9
101.02451	3.6
106.98083	4.5
113.02461	0.4
122.97586	4.6
125.02444	3.8
127.04008	1.1
134.97583	5.9
136.99149	2.0
146.97455	0.6
148.99132	7.5
152.98630	7.0
164.98611	14.3
167.00192	0.5
188.98587	0.4
202.36099	0.4
206.99637	2.9
225.00723	21.5
226.00992	0.7
255.23242	1.2
283.04889	0.6
341.05508	0.5
537.27252	1.6
538.27332	0.6
591.24646	1.7
761.41321	7.5
762.41144	1.1
829.47821	0.9
847.48676	92.9
848.49017	18.4
848.65393	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.1
62.19498	0.4
69.55569	1.2
69.55977	1.6
71.01369	3.6
73.02959	0.9
73.59276	0.4
74.98058	0.4
77.99540	0.4
78.95904	53.0
78.98576	2.0
79.95736	7.1
80.96517	32.0
82.96092	1.1
85.02954	1.1
87.00853	1.4
94.98076	7.5
96.96014	0.5
96.96962	11.8
96.97594	0.7
101.02423	1.3
106.98067	1.4
113.09731	1.1
122.97588	2.7
125.02444	1.5
127.04011	0.6
134.97581	2.2
136.99091	0.6
148.99139	3.0
152.98570	1.8
152.99617	11.2
164.98618	4.5
171.10248	0.5
193.14777	0.5
195.13853	4.1
196.14412	0.8
206.78691	0.4
206.99712	1.1
223.00085	5.2
223.13348	2.5
225.00708	7.0
241.01187	22.9
242.01445	0.6
255.23283	32.7
256.23602	2.6
259.02213	1.6
275.20032	2.6
293.21225	14.8
294.21600	0.9
297.03671	1.3
299.05353	0.5
315.04700	0.8
391.22678	2.7
429.20203	0.6
553.27747	1.6
576.11639	0.5
591.25208	1.1
761.41504	5.9
762.42389	0.9
829.48303	1.0
847.49457	100.0
848.49786	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	845.472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.8
61.98828	2.9
63.85752	0.6
63.96237	1.9
69.03455	1.1
71.01376	9.2
71.76503	0.5
73.02939	1.8
78.98595	8.1
79.95732	18.1
80.96513	100.0
81.03450	1.6
83.01381	0.8
85.02940	3.1
87.00877	3.5
90.65256	0.5
94.98077	21.7
96.96003	2.0
97.02939	1.9
99.04496	0.9
101.02449	2.7
106.98111	3.8
107.73856	0.6
111.86713	0.6
122.97562	4.4
125.02442	3.2
127.03981	1.0
134.97571	7.3
136.99112	1.7
148.99127	8.0
152.98613	7.7
164.98628	12.9
167.00259	0.9
168.97908	0.5
182.27165	0.6
202.91115	0.5
206.99719	4.0
225.00717	22.5
226.01079	0.5
255.23264	1.1
283.04770	0.9
337.19839	0.6
378.64621	0.6
458.12210	0.6
518.57361	0.6
537.27234	1.8
559.35321	0.7
589.23431	2.1
845.47162	99.8
846.47498	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.8
61.98825	17.8
70.03462	3.5
71.01376	5.5
72.99307	1.0
75.00867	1.1
80.96506	0.9
83.05019	3.9
87.00857	1.2
88.98793	4.6
89.02444	2.4
89.34202	0.8
97.02964	1.4
101.02443	2.6
111.08202	1.7
118.97598	0.9
125.09688	1.0
137.09731	1.1
161.04567	1.0
163.11279	4.1
165.12860	3.6
169.12299	1.4
171.10187	3.2
181.12375	1.0
183.13617	0.9
191.00458	0.8
197.11804	14.0
199.13257	1.0
203.94554	0.9
209.11816	100.0
210.12129	4.7
211.13316	5.8
227.12843	13.9
235.08116	5.0
247.20677	1.3
253.09213	12.1
291.19595	13.1
292.19910	1.0
309.20691	39.0
310.21005	3.7
352.20862	0.9
433.79935	1.0
445.20883	4.1
519.32391	0.9
527.28455	1.4
545.29797	2.9
725.87677	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.6
61.87306	0.1
71.01400	0.7
73.02940	0.5
83.01388	0.2
85.02952	0.2
88.50243	0.1
91.05531	0.3
101.02450	0.3
108.02131	0.2
109.02943	1.6
121.02939	1.0
122.03773	0.3
123.04539	0.3
123.24974	0.1
134.03722	0.1
135.04521	2.3
147.04553	1.3
148.05296	99.6
149.05602	3.3
163.07640	100.0
164.07965	3.6
203.05643	0.4
225.53809	0.1
256.07373	0.3
271.09726	10.3
272.10013	0.7
367.13943	1.1
485.24323	0.2
629.28131	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	21.1
60.99289	2.5
61.98827	18.3
69.03450	1.9
71.01379	21.1
72.99313	2.4
73.02950	2.6
81.03445	1.9
83.01375	3.3
85.02964	3.8
87.00878	4.3
88.53291	1.5
88.98798	15.2
89.02439	17.0
97.02946	2.6
101.02431	10.5
113.02464	7.4
119.03484	2.0
120.17497	1.7
122.68472	1.6
125.02408	3.9
141.08487	1.6
171.10242	6.5
179.05603	4.5
180.82663	1.6
209.11873	2.5
215.97279	1.6
221.06554	2.7
293.21271	5.3
325.25339	4.3
327.31512	1.7
343.26428	2.9
351.48816	1.8
359.25961	4.1
361.27341	2.6
369.24442	6.1
387.25354	12.9
397.13522	8.6
405.26364	22.3
406.26718	3.0
431.86700	1.6
524.13940	1.6
652.94427	2.0
785.39600	100.0
786.40198	17.1
845.52448	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01109	1.2
59.01377	12.5
61.98830	16.5
66.31665	1.0
67.47565	1.0
69.03432	1.8
69.29701	1.0
69.30015	9.2
71.01373	12.0
71.26585	1.1
73.02916	2.1
75.00866	2.1
80.97384	1.1
83.01361	1.7
85.02922	3.1
87.00857	3.3
88.86306	1.3
88.98786	1.8
89.02438	9.1
95.01362	1.2
95.05002	1.7
97.06588	13.2
98.19942	2.6
99.27031	1.2
101.02442	7.6
113.02429	2.4
119.03471	1.4
123.08183	8.4
125.02402	1.5
125.09720	84.1
126.10044	2.3
143.10780	1.5
169.08707	2.2
171.10191	1.3
179.05533	1.5
187.09749	56.7
188.10094	2.7
209.11815	1.8
220.02924	1.1
221.06664	3.7
227.51352	1.2
277.21695	10.3
357.84875	1.0
567.23047	1.9
585.23846	5.2
668.07068	1.3
739.97009	1.1
787.39923	1.3
845.45349	100.0
846.45691	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	845.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	8.4
60.53049	0.5
61.98832	1.3
68.99832	0.6
69.03451	2.0
70.33951	0.5
71.01373	6.0
71.08183	1.2
72.99308	1.7
75.00862	0.7
83.01394	1.1
85.02966	1.9
87.00904	0.6
89.02449	2.8
91.59102	0.5
92.04642	0.6
94.57307	0.5
95.01376	3.6
96.96001	7.1
97.02957	2.1
99.04521	0.7
101.02441	2.7
107.01398	1.8
109.02953	1.0
113.02453	2.4
117.03446	0.5
119.03558	0.6
119.05026	2.1
121.02982	0.7
123.00874	17.3
123.04521	0.5
124.01657	41.3
125.02443	36.7
126.02776	0.9
135.04498	1.0
137.02422	1.6
145.02969	1.5
146.03262	0.7
149.02440	0.8
149.99579	58.3
151.00391	6.0
151.03983	1.0
152.01138	1.3
161.13361	1.0
163.03973	0.8
165.01837	0.7
166.02771	0.6
166.99835	0.6
167.03450	1.1
168.00630	100.0
169.01405	20.5
170.01721	0.8
177.01871	0.6
179.03482	1.0
181.05093	1.0
187.11266	1.0
195.02980	0.7
205.12306	3.8
239.05606	1.7
249.11311	1.2
257.06601	1.5
283.04681	0.9
301.05600	11.3
376.36526	0.6
389.10712	2.1
415.08792	1.8
433.09726	2.7
621.21820	1.5
665.20758	1.8
801.28296	0.8
845.27100	78.7
846.27338	16.8
846.43201	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68303	0.2
59.01380	1.5
59.91201	0.2
60.99305	16.6
61.98828	0.4
69.41512	0.1
71.01382	0.8
73.02937	0.2
75.00874	0.3
81.36164	0.1
85.02946	0.5
87.00865	0.9
88.00407	0.6
88.98804	100.0
89.02432	1.9
89.99125	1.0
93.03443	0.2
99.04514	0.2
101.02444	0.2
108.02180	0.2
113.02437	0.4
119.05053	0.3
123.04475	0.2
144.04491	0.2
144.37044	0.2
146.06105	0.4
152.01112	0.2
164.75336	0.2
167.03450	0.8
179.95081	0.1
190.05019	0.2
222.89441	0.2
230.86281	0.2
249.08806	0.2
263.89981	0.2
268.03766	2.3
269.04099	0.2
272.93222	0.2
273.07684	1.2
283.06119	5.3
283.09189	0.4
284.06265	0.8
363.15768	0.4
366.22925	0.2
465.19858	0.6
466.20453	0.3
471.43198	0.2
753.22620	0.5
809.33643	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94516	0.5
59.01373	12.3
61.98829	0.5
62.45031	0.4
69.03456	1.9
69.61135	0.8
69.61560	2.7
71.01378	5.8
72.99284	1.6
73.02943	1.3
83.01385	1.6
85.02956	2.7
87.00899	0.6
89.02434	2.7
95.01382	3.5
96.70965	0.5
97.02944	1.1
99.04526	0.7
101.02428	2.5
107.01414	1.0
108.02219	0.6
109.81658	0.5
113.02428	2.2
115.66000	0.4
119.03464	0.9
123.00877	16.8
124.01658	35.5
125.02446	28.6
126.02827	0.7
137.02457	0.8
149.02446	0.6
149.99577	52.4
151.00378	4.8
161.02493	0.6
161.13367	0.6
166.99762	0.6
167.03490	1.0
168.00630	100.0
169.01398	16.9
170.01781	0.7
179.03487	1.0
187.11214	0.9
192.50276	0.4
205.12332	2.0
239.05609	1.5
249.11429	1.0
257.06674	1.0
283.04413	0.6
301.05615	5.1
389.10947	1.2
415.08960	1.3
433.09857	2.1
475.21909	0.6
845.27094	80.7
846.27448	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	841.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.3
61.98831	0.9
64.91317	0.5
66.53440	0.5
69.03471	0.8
69.23161	2.5
69.23582	2.2
71.01375	4.2
72.99305	1.1
73.02941	0.8
75.00861	1.1
77.46944	0.6
79.01871	0.5
79.89177	0.5
81.03455	1.7
83.01372	1.1
85.02936	3.2
86.58617	0.5
87.00867	0.6
89.02421	0.6
95.01402	1.4
99.04529	5.6
101.02447	3.7
107.01407	0.6
108.02165	61.8
109.02967	17.3
113.02435	1.9
117.03405	1.0
119.05035	3.2
119.18401	0.5
121.02939	1.7
123.00912	0.7
123.04505	0.8
125.02449	1.3
128.21445	0.5
131.06981	0.6
133.02951	0.8
134.03725	1.2
135.00854	0.7
135.04512	1.6
145.02959	3.6
149.02422	9.9
150.03148	1.6
151.00337	0.7
151.03984	1.0
152.01138	100.0
153.01944	8.8
161.02483	0.6
161.04517	4.9
163.04008	6.3
163.14224	0.5
164.04784	11.6
165.05460	1.1
166.02693	1.9
167.03467	1.1
168.00583	0.5
169.16463	0.5
179.03537	0.9
179.07132	6.7
190.02657	0.7
193.01396	0.6
206.05899	0.9
208.03711	2.6
209.04503	2.4
222.05376	1.2
223.06049	4.1
265.07114	2.5
267.04959	0.7
268.03690	1.2
281.08835	0.8
283.05795	1.0
283.08551	0.9
284.06351	0.6
285.03653	5.9
285.06396	2.3
297.09732	1.6
320.11920	0.5
323.09906	0.6
339.10809	2.8
379.13885	1.5
399.09213	14.2
410.67041	0.5
447.09100	1.5
466.00467	0.6
503.13632	1.3
540.11932	0.5
695.20355	1.7
697.19183	4.1
698.19525	1.0
739.21082	4.2
740.21857	0.8
779.23822	2.5
797.25494	1.2
841.23969	67.0
842.24243	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	839.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	24.4
69.03445	2.4
71.01382	8.5
71.52439	0.7
73.02938	3.6
75.00862	1.2
81.03451	2.0
83.01382	2.0
85.02949	4.8
87.00893	1.0
89.02429	1.8
95.01405	0.9
96.96015	1.0
97.02944	13.8
99.00935	0.7
99.04518	67.9
100.04846	1.6
101.02443	20.2
101.03107	1.1
102.02753	1.1
113.02451	3.8
119.03483	0.8
123.00969	0.9
125.02441	100.0
126.02776	2.6
134.03764	0.8
140.41176	0.7
143.03479	4.0
149.04613	1.1
160.04010	3.1
161.04526	5.5
167.03473	1.3
183.06593	0.7
195.05089	0.8
201.91541	0.7
203.05579	7.8
222.65228	0.6
225.07712	1.3
243.08690	3.1
287.07782	1.4
295.46234	0.7
329.08807	10.5
330.09274	0.8
364.10321	1.9
369.11887	4.0
387.16583	0.8
431.11868	44.8
432.12228	5.4
433.12634	1.9
703.42822	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68264	28.8
59.15444	28.6
61.98839	67.3
66.55854	30.0
80.46078	33.7
114.72255	37.6
275.47241	30.9
277.21667	84.0
289.17978	100.0
839.46570	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.3
59.01651	0.4
61.98838	1.3
69.03458	1.1
69.57181	0.7
69.57587	1.4
71.01376	6.3
72.99300	0.3
73.02965	1.1
78.32857	0.3
80.78572	0.3
81.03467	0.4
81.96272	0.3
83.01429	0.4
83.05037	0.8
83.18792	0.3
84.02206	0.4
85.02945	5.6
87.00893	1.1
89.02436	4.0
91.04029	0.4
95.01432	0.7
95.05064	0.9
96.96001	0.3
97.02980	1.2
97.06591	2.2
99.00884	0.5
101.02435	5.3
109.06558	0.3
111.08189	0.7
113.02445	2.7
113.09742	0.3
115.04084	0.3
119.03522	1.1
123.08135	0.3
125.02491	0.5
125.09714	1.0
125.62650	0.3
127.11298	1.2
133.05003	0.4
133.42558	0.3
137.09767	1.3
143.03520	0.6
145.05124	0.4
155.10793	0.8
161.04552	3.5
163.91367	0.3
165.12851	0.9
167.10805	0.5
167.14423	0.3
171.10260	18.1
172.10635	0.6
177.12912	1.1
179.05583	0.9
179.14436	0.7
181.12308	0.4
183.13913	2.9
185.11780	0.6
193.12346	1.0
195.13876	7.2
195.15581	0.5
196.14523	0.7
199.13379	0.3
201.11377	0.9
205.12341	0.6
205.15881	0.5
209.11797	1.7
211.13387	13.5
212.13800	0.9
221.11870	2.4
223.13383	5.1
225.11266	0.5
227.12782	0.5
228.13684	0.6
229.14432	10.4
230.14621	0.3
231.21188	0.3
235.08209	8.4
239.12842	2.3
247.20612	0.6
253.09288	37.1
254.09572	1.6
256.13141	0.9
259.41589	0.3
275.20114	5.4
275.22845	0.5
276.20364	0.5
291.19705	4.3
293.21216	100.0
294.21539	7.3
309.20682	7.6
310.44754	0.3
327.21741	78.1
328.22113	6.1
492.22037	0.4
529.30243	2.4
545.29639	2.1
563.30670	6.1
564.30896	1.0
603.42578	4.5
604.43079	0.6
621.95862	0.3
692.34631	0.3
812.47205	0.3
839.50671	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.5
61.98822	2.4
62.77723	0.2
64.11663	0.2
67.61851	0.2
71.01363	0.9
71.07951	0.5
71.08270	0.2
73.02935	0.7
76.94029	0.2
83.01392	0.6
89.02426	0.4
96.95967	0.3
101.02409	1.4
103.04017	0.3
115.30825	0.2
119.03454	0.4
119.05112	0.3
123.00851	0.4
124.01648	0.3
125.02463	1.2
143.03503	0.4
145.02940	0.4
149.99538	0.9
151.00354	0.7
163.03940	0.3
163.06075	0.6
165.01883	0.2
168.00623	1.5
184.76393	0.2
205.07069	0.6
239.03513	0.7
240.04247	1.0
267.03021	0.4
268.03726	53.8
269.04062	4.0
281.04550	0.4
283.06079	100.0
284.06424	8.0
289.09219	0.3
325.07330	1.1
475.12201	0.3
529.13489	0.4
735.21259	2.7
736.21899	0.9
753.22400	4.0
754.22449	0.8
795.23114	0.9
839.25677	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.7
61.98824	1.7
69.03455	1.8
70.17107	0.4
71.01378	8.3
73.02946	1.8
73.88990	0.4
80.02672	0.4
81.03439	1.3
83.01392	1.3
83.05026	1.5
83.71783	0.4
85.02945	2.8
86.00153	0.4
87.00873	1.3
89.02445	4.5
95.01378	0.7
95.05038	1.4
96.58604	0.4
96.96024	0.8
97.02943	1.5
97.06593	2.0
99.00903	0.6
101.02435	6.3
105.96122	0.4
109.06590	0.7
111.08157	13.9
113.02448	3.4
114.54610	0.5
119.03478	1.3
120.16989	0.4
123.04515	1.0
123.08132	0.7
125.09733	3.5
137.09715	1.6
139.11310	0.5
143.03513	0.8
145.05040	0.6
149.09709	0.9
151.11316	1.0
153.12860	0.6
155.10866	0.5
161.04594	2.3
163.11334	2.4
165.12817	1.4
167.10760	2.6
169.12325	3.1
171.10277	1.6
175.11316	0.4
177.12834	1.6
179.05673	1.0
179.10789	1.9
179.14433	1.1
181.12350	1.1
185.11876	3.1
191.14384	1.8
195.12074	0.6
195.13902	9.8
196.14459	0.5
197.11830	34.2
198.12187	1.5
199.13409	2.1
201.11372	0.7
207.10156	1.0
209.11816	6.8
210.12062	0.6
211.13402	4.8
217.15976	0.6
223.13394	3.1
225.11371	1.0
225.14899	0.5
227.12865	2.6
228.13477	0.5
235.08237	2.9
237.11263	1.2
245.19072	4.9
247.20644	2.7
253.09276	19.3
254.09573	0.6
256.13162	1.1
263.20129	2.9
265.18201	1.4
273.18686	2.2
275.20065	4.8
276.20224	0.4
289.18085	16.8
290.18393	1.9
291.19650	100.0
292.19955	7.8
293.21222	40.9
294.21469	3.2
307.19150	12.7
308.19528	1.8
309.20688	35.7
310.21112	2.2
325.20248	0.7
445.20447	0.5
527.28937	1.4
542.77020	0.4
545.29639	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.5
61.98819	0.8
68.99566	1.0
69.03437	0.6
71.01385	5.5
73.02940	0.9
81.03443	0.4
83.01376	0.6
83.05022	1.2
85.02948	1.4
87.00880	1.4
89.02443	3.3
93.03455	0.8
95.01357	0.4
95.05020	1.1
97.02921	0.3
97.06610	0.4
101.02444	4.3
107.08649	0.3
109.06590	0.9
111.00842	0.3
111.08157	12.8
112.08488	0.3
112.98557	1.0
113.02440	2.0
113.09728	0.7
116.10617	0.2
119.03496	0.5
119.05003	0.3
123.08160	0.4
125.09731	0.3
127.07636	0.6
135.11812	0.7
137.09758	1.3
138.37210	0.2
139.11292	0.3
141.09232	0.4
145.05051	0.5
149.09686	1.0
151.11192	0.5
155.10805	0.4
161.04547	1.9
163.11411	0.3
167.10742	2.9
169.12343	0.4
171.10214	0.9
177.12856	3.1
179.05627	0.5
179.10759	2.2
179.14366	0.5
191.14349	0.5
193.12288	0.6
195.13889	9.7
197.11797	1.0
203.14407	0.9
211.13371	0.5
219.17546	0.3
223.13370	1.4
228.13654	0.3
235.08296	1.4
245.19096	1.2
247.20660	2.8
253.09279	8.6
263.20187	0.4
273.18515	2.3
275.20093	3.9
277.21835	0.5
289.18097	6.5
290.18414	0.6
291.19641	100.0
292.19977	7.0
293.21216	9.9
294.21594	1.1
307.19104	5.9
308.19415	0.5
309.20581	0.7
472.08704	0.3
527.28357	0.3
766.09949	0.3
827.36853	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.2
61.98824	6.7
68.99564	1.1
69.03455	1.3
71.01371	6.3
71.36457	0.9
72.99301	0.8
73.02934	1.4
78.95905	0.6
81.03476	0.4
82.20517	0.5
83.01364	0.5
83.05031	0.8
83.99735	0.4
85.02954	2.0
87.00867	1.7
89.02443	3.7
93.83437	0.4
95.01380	0.6
95.05016	0.9
96.96008	1.6
97.02914	0.7
97.06593	1.5
99.00877	0.6
101.02445	4.9
109.06543	1.0
111.08165	12.4
112.98550	1.0
113.02450	2.7
115.84325	0.4
119.03486	1.3
120.50451	0.4
123.08115	0.4
125.09663	0.7
127.07621	0.9
134.97682	0.4
137.09671	0.9
143.03470	0.7
145.05128	0.6
149.09711	1.1
151.11276	1.2
153.12891	0.9
155.66154	0.5
161.04530	2.0
163.11331	0.5
165.12865	1.1
167.10767	2.0
169.12337	2.7
171.10240	2.0
177.12811	1.9
179.05583	0.5
179.10765	1.9
179.14441	0.6
181.12357	1.4
183.13914	0.9
191.10768	0.6
191.14249	0.4
193.12213	0.7
195.13879	7.9
196.14140	0.6
197.11819	34.7
198.12129	1.8
199.13419	2.3
201.11247	1.2
203.14417	0.5
209.11833	3.6
211.13405	4.5
223.13313	0.8
227.12881	3.2
235.08127	4.2
245.19127	1.3
247.20595	1.5
253.09254	15.2
254.09558	0.6
263.20193	4.1
265.18063	0.5
273.18628	1.9
275.20282	3.1
277.21722	1.3
289.18137	3.5
291.19641	100.0
292.19952	7.1
293.21234	17.5
294.21445	1.5
307.19113	5.7
308.19434	0.8
309.20679	32.9
310.21014	2.5
341.19327	0.6
527.28510	1.4
751.36694	0.5
865.96222	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.7
61.98832	2.7
69.03462	1.2
71.01376	4.3
72.99313	0.3
73.02934	1.2
80.02676	0.3
80.16679	0.2
83.01385	0.5
83.05028	0.6
85.02961	1.1
87.00872	0.9
89.02442	3.5
93.07082	0.4
95.01386	0.4
96.48114	0.2
97.02953	1.1
97.06567	0.7
99.00863	0.4
101.02438	4.3
109.01226	0.2
109.06590	0.8
111.08160	13.1
112.08549	0.3
113.02457	2.1
119.03493	0.9
125.02397	0.3
125.09712	0.5
125.15862	0.3
126.68430	0.2
127.07639	1.2
137.09709	0.8
139.11304	0.2
141.09279	0.3
143.03531	0.5
151.11284	0.9
153.09245	0.5
153.12804	1.3
161.04527	2.0
162.76144	0.3
163.11275	0.4
165.12833	0.9
167.10690	0.4
167.14423	0.3
169.12343	5.1
171.10287	1.4
179.05585	0.8
179.10744	0.7
181.12328	1.9
183.12404	0.3
183.13904	1.1
193.12267	0.8
195.13795	0.3
197.11823	61.3
198.12166	2.8
199.13371	3.7
209.11816	0.6
211.13393	11.3
212.13861	0.6
227.12871	2.2
234.97539	0.2
235.08247	2.4
247.20702	0.9
249.14981	0.5
253.09273	23.9
254.09572	1.0
263.20123	4.2
265.18024	1.4
273.18631	1.5
289.18225	0.4
291.19641	26.3
292.19989	2.3
293.21277	0.7
307.19086	0.6
308.19202	0.3
309.20688	100.0
310.21054	8.0
372.36331	0.3
409.38214	0.2
433.20547	1.0
527.28479	0.6
545.29633	3.7
546.29950	0.7
601.40924	2.5
602.41364	0.4
837.49371	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	837.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.8
61.98829	9.8
66.92924	0.5
69.03448	1.2
69.23818	2.9
69.24241	2.0
71.01385	7.8
72.99293	0.5
73.02955	1.3
78.95901	0.7
81.03427	0.7
83.01380	1.1
83.05019	1.3
85.02941	1.9
87.00861	1.1
89.02436	5.0
93.85513	0.5
95.01353	0.6
95.05032	1.0
96.96013	3.0
97.02943	3.0
97.06581	1.9
98.19931	0.9
101.02434	6.4
105.52752	0.7
108.23615	0.6
109.06591	1.1
111.08155	11.7
113.02473	3.6
119.03495	1.6
119.05035	0.6
119.08673	0.6
123.04520	0.7
123.08173	1.0
125.09737	2.7
127.11267	1.0
137.09721	1.9
143.03470	0.6
145.05069	0.7
149.09760	0.7
151.11290	0.6
153.12796	0.9
161.04555	2.6
163.11374	1.2
165.12852	2.8
167.10750	1.6
169.12331	1.8
171.10295	4.3
177.12843	2.1
179.05627	1.3
179.10753	1.6
181.12280	1.1
183.13792	1.3
185.11827	1.7
191.14444	0.5
193.12312	1.4
195.13881	7.4
196.14220	0.5
197.11827	22.7
198.12128	1.2
199.13362	1.8
201.11288	13.9
202.11632	0.8
207.10336	0.7
209.11771	3.5
211.13362	5.4
219.17416	0.5
221.11873	0.6
221.34781	0.5
223.13359	1.5
225.11224	0.8
227.12851	3.3
235.08220	2.8
237.11195	0.7
245.19087	3.0
247.20494	3.5
252.75624	0.7
253.09293	18.2
254.09633	0.8
255.23283	3.2
263.20184	2.1
273.18625	2.5
275.20071	3.0
277.21826	0.9
287.82120	0.5
289.18079	9.8
290.18298	0.6
291.19647	100.0
292.19995	7.8
293.21201	15.7
294.21640	0.9
307.19083	7.9
308.19388	1.2
309.20691	51.9
310.20987	4.1
336.87234	0.6
345.74884	0.6
397.13593	3.8
415.14557	1.0
527.28967	1.2
593.93665	0.6
858.57477	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
69.98624	0.1
78.95901	0.7
80.96494	0.7
94.98100	0.2
105.90809	0.1
119.87456	0.1
164.98734	0.1
168.68544	0.1
185.42661	0.1
196.89575	0.3
207.10295	0.1
225.00690	0.2
277.21674	0.2
424.62106	0.1
685.31415	0.1
754.65680	0.1
836.40637	0.2
837.48645	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.8
61.86423	0.2
61.98821	2.3
69.03456	1.6
69.73152	0.2
70.07426	0.4
70.07774	1.0
71.01373	3.8
71.01732	0.4
71.72758	0.2
72.99299	0.4
73.02937	1.0
78.95925	0.3
80.02672	0.2
81.29838	0.2
83.01392	0.6
83.05025	0.8
84.02163	0.3
85.02950	1.4
87.00880	1.2
89.02431	3.3
90.47604	0.2
91.04016	0.2
93.07063	0.4
95.01366	0.5
95.05030	0.5
96.96028	0.2
97.02949	3.7
97.06592	0.7
99.00858	0.3
101.02434	4.5
109.06591	0.8
111.08148	8.4
112.08494	0.4
113.02449	2.1
119.03471	1.1
119.08679	0.4
123.08135	0.5
125.02437	0.3
125.09701	0.9
127.07625	0.5
128.13109	0.2
133.05049	0.2
137.09721	1.5
141.09261	0.2
142.02815	0.2
143.03525	0.5
145.05074	0.4
151.11304	0.8
153.09256	0.4
153.12840	1.0
161.04533	2.0
163.11266	1.2
165.12799	2.6
167.10704	0.4
167.14389	0.3
169.12303	3.5
170.12573	0.2
171.10240	3.3
177.12762	0.3
179.05571	0.7
179.10765	0.6
179.14388	0.4
181.12320	1.6
182.12746	0.2
183.13921	1.1
185.11801	0.4
193.12300	1.0
193.15967	0.5
195.13928	0.3
197.11812	44.2
198.10294	0.3
198.12111	2.4
199.13373	2.8
201.11490	0.3
209.11810	2.1
209.15321	0.3
211.13362	7.6
212.13754	0.4
219.17459	0.2
221.11789	0.5
223.13319	0.9
225.11319	0.3
225.14951	0.3
227.12852	3.1
235.08223	2.8
239.12857	0.2
247.20659	2.2
248.20966	0.3
249.15002	0.6
253.09254	20.7
254.09618	0.9
255.17665	0.3
263.20132	2.7
265.18079	1.3
266.18628	0.2
273.18582	1.9
289.18161	0.3
291.19629	37.3
292.19962	3.1
293.21234	0.8
309.20667	100.0
310.21024	7.5
310.90891	0.2
325.20300	0.4
433.20630	0.6
527.28485	0.9
545.29626	3.1
546.29987	0.4
601.41064	2.1
602.41315	0.6
613.19708	0.2
621.44562	0.2
777.43652	0.3
779.75226	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.6
61.98832	11.9
68.99810	1.0
69.03476	1.5
71.01369	9.3
71.05019	2.2
71.45040	1.6
73.02963	1.3
80.96533	1.4
81.03436	2.1
82.95409	1.5
83.01350	0.9
83.05032	1.1
85.02964	4.4
87.00887	1.2
89.02457	5.1
93.03436	1.2
95.05033	2.7
96.96008	1.0
97.06566	1.9
99.00904	1.1
101.02432	7.5
106.04230	1.3
107.05030	1.0
109.06573	4.1
111.08168	3.1
113.02459	5.0
119.04996	1.0
135.08142	1.7
143.03589	1.4
152.24661	0.9
161.04523	2.2
167.10803	1.6
169.12292	0.9
171.10274	1.7
177.12796	5.4
179.05653	1.0
179.10728	1.3
179.14413	1.0
181.12354	1.9
185.11850	1.3
191.14400	3.6
195.13887	22.9
196.14229	0.9
197.11835	9.6
203.10719	3.6
203.14447	1.9
204.10963	0.9
209.11797	4.9
209.15475	1.5
211.13309	2.6
221.11780	3.1
221.15390	2.8
223.13380	8.5
229.12325	3.1
235.08279	4.7
235.13383	9.5
237.15071	5.0
243.17540	2.8
245.19081	1.8
247.13390	18.3
248.13625	1.5
253.09261	19.9
253.14470	1.4
256.13144	1.5
261.18677	6.4
265.14539	10.2
275.20163	6.8
279.19595	2.6
287.16525	6.8
289.18057	15.5
290.18411	2.6
291.19653	13.9
293.21222	100.0
294.21545	8.7
305.17572	29.8
306.17914	3.0
307.19098	10.4
309.20670	11.7
310.20984	1.3
314.47205	1.1
320.89908	1.1
323.18634	2.0
330.19357	1.1
463.20789	1.1
471.22290	3.2
483.22128	2.4
501.23404	3.7
523.25220	1.0
541.26361	3.0
733.42133	1.4
747.43439	2.5
759.43359	1.4
777.44257	8.0
778.44757	3.8
817.47296	3.8
835.48383	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	835.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	7.1
61.98826	18.4
69.03445	0.9
71.01381	4.7
71.05007	1.3
73.02943	0.8
76.56100	0.5
80.96506	0.5
81.03477	0.8
82.95412	1.5
83.05026	1.4
85.02950	1.8
87.00867	0.8
89.02443	3.5
95.05006	1.1
97.02955	1.3
97.06638	0.7
101.02443	4.2
103.89821	0.5
106.04227	0.6
109.06589	6.1
111.04488	1.8
111.08156	4.8
113.02405	1.2
115.51150	0.5
119.03505	0.7
123.08125	1.7
125.02448	0.7
127.07700	0.9
128.07481	0.5
135.08168	0.8
137.09633	0.9
140.01300	0.6
143.10744	1.2
145.06610	0.8
145.29391	0.5
149.09723	1.3
161.04536	1.8
163.11263	1.2
165.12875	1.1
167.10727	1.7
169.12318	1.7
171.10239	2.1
179.05647	0.6
179.10735	0.6
181.12256	1.1
195.13908	2.7
197.11812	26.5
198.12227	1.4
199.13400	1.1
209.11829	1.5
211.13467	4.0
215.14595	0.7
223.13170	0.9
227.12903	1.8
235.08116	4.0
245.19023	4.1
247.20764	0.8
249.14915	0.6
251.16530	1.0
253.09280	13.4
263.20218	1.0
271.17065	0.8
287.16455	2.4
287.19324	0.5
289.18076	100.0
290.18414	7.4
291.19635	17.7
292.20013	1.5
293.21161	1.3
307.19116	5.6
309.20679	42.4
310.21152	2.6
330.94574	0.6
506.30673	0.6
525.27057	4.8
526.27478	0.7
581.38330	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	11.4
61.98827	39.3
69.03443	2.9
70.40728	1.5
70.62393	1.5
71.01382	11.3
71.05006	4.5
72.99299	1.9
73.02939	2.0
78.95875	2.7
83.01398	3.1
83.05030	3.7
85.02952	6.5
87.00876	3.9
89.02447	9.2
93.03452	2.5
95.05001	2.6
97.02962	1.8
97.06612	1.9
101.02454	11.0
106.04216	2.9
107.05035	3.3
109.06573	4.6
111.08142	5.6
113.02421	4.4
121.02937	1.5
123.04482	1.7
125.02441	1.8
125.09666	2.7
135.08128	2.2
137.09695	2.6
146.15628	1.5
149.04601	1.8
158.11177	1.6
161.04579	3.9
163.11290	3.3
169.12340	3.0
177.12814	5.5
185.11775	2.0
189.12877	2.0
191.14386	3.9
195.13889	24.6
197.11807	22.8
197.87045	1.4
203.10744	4.8
203.14302	1.9
205.12413	1.7
207.10284	1.7
207.13873	2.0
209.11829	7.3
211.13391	5.4
221.11780	4.6
221.15306	2.1
223.13342	9.6
224.13962	1.9
227.12831	2.0
229.12320	5.4
235.08170	6.4
235.13350	9.6
237.14967	13.3
243.17464	3.6
245.19035	4.1
247.13387	22.3
249.14871	1.8
253.09293	28.7
253.14586	1.8
261.18552	4.6
263.20001	4.3
265.14426	6.4
275.20123	8.8
279.19687	2.5
287.16565	15.0
289.18079	18.5
291.19638	12.3
291.22458	2.1
293.21204	100.0
294.21524	7.0
305.17566	35.7
306.17856	2.3
307.19131	20.9
308.19492	2.0
309.20688	29.9
310.21255	3.2
354.78061	1.9
437.99854	1.6
471.22305	2.1
483.22296	4.5
543.27789	2.2
777.44031	9.8
835.49176	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00575	0.5
59.01377	8.0
69.03466	0.7
70.53579	0.1
70.53904	0.3
71.01379	8.3
71.04996	0.2
72.99303	0.6
73.02943	1.3
75.00887	0.2
75.51274	0.1
78.83240	0.1
79.01923	0.1
80.02673	1.2
81.03451	1.9
82.23035	0.1
82.70098	0.1
83.01386	1.0
83.05024	4.8
84.02151	1.0
84.05362	0.1
85.02946	1.9
87.00867	1.9
89.02440	7.0
90.02755	0.2
93.03405	0.2
95.01380	0.5
95.04996	0.9
96.95995	0.2
97.02947	1.3
97.06590	0.1
98.20542	0.2
99.00893	0.4
101.02436	6.1
109.02943	0.2
109.06593	0.4
111.00847	0.1
111.04507	0.2
111.08150	0.2
113.02452	3.5
115.03979	0.2
119.03495	2.0
121.02917	0.1
123.00916	0.1
123.08138	0.2
124.01612	0.1
125.02441	2.9
125.06078	0.5
125.09693	0.2
131.03447	0.2
133.05040	0.2
134.51097	0.1
135.08148	0.7
138.95303	0.2
141.01894	0.2
143.03491	1.2
147.11827	0.1
149.04526	0.3
149.09647	0.1
150.03369	0.1
154.49138	0.1
161.04550	1.6
163.11281	4.2
163.84969	0.1
164.11612	0.2
165.12845	2.5
167.03444	0.2
169.05029	0.1
171.10228	0.7
175.02434	0.5
179.05592	2.0
181.12369	0.6
183.13928	0.3
185.04558	0.2
185.11890	0.2
191.10776	1.2
199.06120	0.3
199.13377	0.5
203.05583	0.2
207.10318	0.2
209.11807	100.0
210.12152	5.5
210.14212	0.2
211.13458	0.2
217.07147	0.4
221.06587	0.7
221.11757	0.2
225.11284	0.2
227.12866	15.5
228.13187	0.9
233.11707	0.2
235.08195	2.6
245.06911	0.1
247.13385	0.6
251.12889	0.5
253.09218	0.5
259.08011	0.2
263.07770	0.4
265.14600	0.2
277.09549	0.2
287.07666	1.1
305.08746	0.9
323.09753	0.5
361.11346	0.1
379.12430	2.9
380.12781	0.3
397.13470	19.5
398.13858	1.5
401.23184	0.3
415.08981	0.3
415.14554	5.7
416.14755	0.5
589.24982	0.7
607.26062	1.5
608.25861	0.1
625.27368	0.2
766.07916	0.2
773.35760	0.2
799.37982	0.8
817.38568	0.5
835.39319	0.5
836.38342	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.7
62.73476	0.3
63.02402	0.6
65.00325	1.2
71.01384	1.0
71.08604	0.3
71.08974	0.7
72.99330	0.6
75.00871	2.6
79.15372	0.4
81.03470	1.2
83.01378	2.9
84.02168	5.4
85.02953	0.9
89.03979	0.7
93.03445	1.5
93.94402	0.3
95.01395	0.4
97.02948	0.3
99.04519	2.8
106.04251	0.5
107.01387	2.6
107.05040	0.8
109.02959	0.8
113.02460	0.6
117.03446	3.4
119.05056	0.6
119.48846	0.3
121.02987	1.2
123.04517	0.8
124.01637	0.7
125.02447	42.3
126.02842	0.8
131.03625	0.4
133.02954	0.8
134.03741	21.9
135.04066	0.5
137.02409	0.7
139.00301	0.3
139.04047	0.7
142.91090	0.3
149.02443	4.6
149.06067	1.8
150.03287	0.4
151.00374	12.5
152.01151	2.4
153.01917	3.8
158.03781	0.3
163.00375	0.5
163.04016	0.3
165.01927	1.4
165.05571	0.5
167.03453	0.8
169.06543	0.6
172.05321	0.7
173.06070	2.1
175.03963	0.7
176.01137	0.8
177.01857	0.3
177.05635	0.9
178.99857	8.3
179.01355	0.7
179.03490	2.3
183.04649	0.4
191.03764	0.3
191.05626	1.3
193.05043	23.7
194.05396	1.1
196.05269	0.4
197.06073	1.0
199.04002	0.8
199.07663	0.3
201.05589	1.7
209.06670	5.9
213.05750	0.4
215.07079	3.3
225.05505	1.8
230.47649	0.4
241.04979	1.7
243.06654	2.9
259.06097	45.6
260.06406	2.8
269.04535	37.0
270.04794	2.3
283.06070	0.7
287.05603	22.4
288.06021	1.1
311.05698	0.5
342.05826	0.7
385.11386	13.5
386.11960	1.0
388.34290	0.3
389.18124	0.8
395.99457	0.4
421.11435	1.3
431.09808	1.7
449.10867	100.0
450.11237	9.7
463.24155	0.3
835.26428	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	2.3
59.01376	25.6
61.98828	100.0
69.03449	2.1
71.01378	94.1
71.52615	1.0
72.01729	1.0
72.99303	2.4
73.02939	5.1
75.00898	0.9
78.95906	1.6
79.95734	2.3
80.02660	0.8
80.96507	4.0
81.03458	2.5
83.01391	2.9
83.05023	3.5
84.02130	0.8
85.02950	8.7
87.00876	5.0
89.02438	20.2
95.01388	1.9
95.05016	1.2
97.02943	6.9
97.06561	1.3
99.00835	4.0
99.04497	1.1
101.01798	1.2
101.02439	19.3
109.06598	9.3
110.03719	1.1
113.01714	1.0
113.02447	9.7
114.82836	0.7
119.03516	5.4
119.08692	0.7
124.01663	1.0
125.02421	6.9
125.09677	2.2
126.94900	0.7
127.11250	1.7
135.08156	1.7
136.05254	0.9
139.07643	1.2
141.01906	1.8
142.02699	1.7
143.03450	2.7
147.29916	0.7
147.45248	0.8
149.02466	0.7
155.10762	1.5
157.60880	0.7
161.04514	4.5
161.09700	1.2
163.11276	9.6
164.11533	0.9
165.12813	1.8
167.10703	0.8
167.14471	0.9
169.12204	0.8
171.09044	0.8
171.10277	10.4
177.68495	0.8
179.05510	3.8
181.12372	4.1
183.13902	6.8
185.11797	1.0
193.12276	2.0
197.11800	0.8
199.09598	1.3
199.13396	9.6
201.11333	8.8
207.10254	28.3
208.10466	2.6
209.11815	31.6
210.12022	1.8
211.13382	65.2
212.13762	3.9
215.12871	1.1
221.06522	2.5
225.00581	1.5
225.11327	23.1
226.11517	2.0
227.12871	25.1
228.13115	1.5
235.08272	3.9
243.12181	2.7
245.13486	1.0
247.13315	1.0
253.09100	1.1
263.07660	1.0
325.24600	0.9
379.11923	2.5
383.21820	1.6
391.24438	2.1
397.13483	25.1
398.13440	1.7
401.23260	5.7
402.23334	0.9
415.14597	7.5
419.24365	4.5
439.14072	1.5
511.22952	0.9
591.25653	1.1
605.23889	1.4
607.24786	1.3
609.26636	1.5
623.24219	3.1
625.26086	2.7
799.37042	6.3
800.36426	1.8
817.38586	15.1
818.38788	3.6
835.39050	12.4
836.38275	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	834.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
61.98827	100.0
63.78820	0.2
69.27083	1.7
71.01382	0.6
75.00880	0.3
78.95911	0.4
81.16754	0.2
85.03021	0.2
93.69815	0.2
96.96022	0.5
98.20762	0.4
101.02458	0.2
109.06588	0.4
113.59560	0.2
125.02459	0.3
148.20996	0.2
150.40166	0.2
160.12550	0.2
178.16765	0.2
187.12184	0.2
207.10332	0.5
208.10576	0.4
209.11862	1.0
210.12248	0.3
211.13388	0.3
397.13358	0.2
443.87534	0.2
445.30396	0.2
834.39307	0.5
834.52979	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.1
61.98828	100.0
64.19559	0.1
71.01379	0.2
71.53414	0.2
74.75942	0.1
77.38567	0.1
78.95914	0.1
79.95733	0.1
88.49609	0.1
96.96001	0.2
98.00828	0.1
144.55687	0.2
171.10287	0.2
209.11870	0.2
211.27042	0.2
225.11353	0.1
289.18210	0.3
298.86807	0.1
299.93317	0.1
306.73108	0.2
339.98148	0.1
387.07578	0.1
435.70667	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	831.493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.5
61.98816	2.1
63.96239	2.3
66.22562	0.4
69.03432	0.7
70.74723	0.8
70.75058	0.5
71.01377	7.2
73.02938	1.6
74.23621	0.4
78.98584	6.2
79.95374	0.6
79.95731	29.7
80.96511	72.3
82.86442	0.4
85.02938	2.4
87.00887	2.6
94.98079	15.4
96.96007	2.2
97.02953	1.3
99.00868	0.5
101.02449	3.0
102.80390	0.4
106.98085	2.6
109.02952	0.4
111.91216	0.4
122.97576	4.4
125.02443	2.6
127.04001	0.8
134.97578	5.9
136.99115	1.4
148.99127	6.7
152.98615	7.1
161.04572	1.0
164.98622	11.0
167.00159	0.5
175.27522	0.4
179.00203	0.6
188.98518	0.4
201.38530	0.4
206.99702	3.2
225.00720	22.1
226.01126	0.7
241.00209	0.8
255.23183	2.1
283.04846	2.2
341.05426	2.2
355.07025	1.1
369.08261	0.4
407.37054	0.4
504.88321	0.5
537.27289	1.5
575.25085	1.4
609.29199	0.7
623.31061	0.6
637.32599	1.0
651.34125	0.7
693.38885	0.8
733.42059	0.7
814.66571	0.6
831.49255	100.0
832.49530	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	831.5025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.1
63.96196	0.3
69.86247	1.7
70.88703	0.3
71.01373	1.7
74.53979	0.3
78.95901	78.8
78.98563	0.4
79.95737	4.6
80.96513	11.7
85.02939	0.4
87.00837	0.4
94.98083	2.2
96.96958	17.0
101.02512	0.4
101.16199	0.3
122.97550	1.0
134.97627	0.6
134.98549	1.0
141.01729	0.4
148.99138	1.1
152.99582	20.0
164.98618	1.3
171.00504	0.5
223.00099	7.2
225.00696	2.2
241.01176	29.5
242.01369	0.7
255.23273	53.3
256.23608	3.7
259.02283	2.3
259.20584	0.5
277.21701	32.5
278.22000	2.6
283.04865	0.5
297.03796	1.3
315.04858	0.8
391.22549	6.5
392.22656	0.4
409.23312	0.7
413.20905	0.7
553.27808	4.7
571.28735	0.6
575.26050	0.9
730.29321	0.4
831.50146	100.0
832.50476	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	48.6
60.01699	0.8
61.98825	3.2
69.03463	1.7
70.80087	1.4
71.01378	7.9
72.99303	1.2
73.02954	3.2
75.00890	1.5
83.01389	2.5
85.02947	5.1
87.00883	0.9
89.02457	2.4
93.03442	1.0
95.01382	1.7
96.96062	1.1
97.02937	3.8
99.00884	1.4
99.04513	2.3
101.02443	5.1
108.02171	58.4
109.02967	17.4
111.00842	1.1
113.02443	3.8
121.02968	1.6
123.00868	1.3
123.04483	0.9
125.02441	13.5
133.02922	0.8
135.04483	0.7
138.01964	0.8
149.02509	1.3
150.03217	1.3
151.04027	2.2
152.01144	100.0
153.01953	6.1
161.04559	2.2
163.04008	2.9
165.01950	1.1
165.05574	1.2
165.09109	0.7
166.02625	0.7
179.03514	1.1
180.07904	2.2
181.05087	1.1
195.06638	0.9
195.10245	4.4
209.06657	0.9
241.07097	2.9
267.05188	0.9
269.10260	1.0
285.06113	1.4
362.48196	0.6
389.21600	1.0
392.68146	0.7
399.09286	14.0
399.14865	1.1
399.16681	1.2
400.09970	1.1
401.18155	2.6
417.10367	24.5
418.10742	1.7
430.34988	0.6
431.22879	3.4
459.11398	11.5
460.11649	0.8
499.14694	1.0
501.12381	1.4
525.12292	1.8
561.14526	1.5
705.18219	1.2
831.21979	44.8
832.22089	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	831.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	1.6
59.01380	20.8
60.37627	0.5
60.99321	0.6
61.98811	3.5
69.03439	2.8
71.01380	17.3
71.05001	1.3
71.10286	0.8
72.99301	2.2
73.02579	0.6
73.02951	2.6
74.72349	0.6
78.95904	4.2
80.02686	1.5
80.96524	0.8
81.03458	1.8
83.01363	2.8
83.05018	5.2
84.02148	1.1
85.02936	4.3
85.06571	0.7
87.00864	3.5
88.98791	1.3
89.02435	14.1
95.01383	1.5
95.05028	1.6
96.95999	0.7
96.96947	0.7
97.02941	2.5
99.00902	0.8
101.02442	12.5
102.02739	0.6
109.06612	1.4
111.04539	0.7
113.02460	7.3
119.03513	3.7
125.02430	5.7
125.06075	1.2
125.09677	0.7
131.03436	0.7
135.08130	1.0
141.01909	0.7
142.15547	0.6
143.03484	3.0
148.23497	0.6
149.09689	0.6
152.99550	1.0
161.04568	3.7
163.11307	3.5
165.12839	2.1
167.03503	0.6
167.10768	2.2
171.10274	1.5
179.05609	4.5
179.10777	0.7
179.14403	2.3
181.12286	1.0
191.10754	1.3
195.12296	1.0
195.13889	8.0
196.14185	0.6
205.12369	7.8
209.11813	100.0
210.12119	4.3
211.13396	1.4
221.06641	1.7
223.13382	71.2
223.97583	0.6
224.13724	4.5
225.11336	1.7
227.12871	17.6
228.13203	1.1
230.89018	0.6
235.08191	4.2
241.01100	1.3
253.09239	1.7
255.23303	2.5
261.14929	0.7
270.32452	0.5
277.21759	1.9
287.07761	1.0
305.08783	1.4
323.09872	1.1
379.12393	5.3
397.13477	38.6
398.13730	3.0
415.09558	1.0
415.14563	8.6
603.26489	4.5
607.26062	1.6
621.27582	7.6
622.27753	1.1
771.41840	0.8
813.39624	2.5
831.37006	0.9
831.50537	6.2
832.51617	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	16.3
61.98824	1.9
69.28255	5.2
71.01376	10.6
72.99305	2.5
73.02957	1.2
75.00869	1.6
77.49888	0.6
78.85251	0.6
81.26982	0.5
83.01427	0.8
83.24132	0.6
85.02950	4.9
89.02432	5.5
95.01397	2.5
99.00884	1.2
101.02456	3.6
107.05029	0.8
108.02168	56.0
109.02953	36.1
111.75616	0.6
113.02435	3.3
119.03509	1.0
119.05015	1.2
121.02994	0.9
123.00883	3.2
123.04527	1.1
124.05042	0.5
133.02962	1.0
134.03706	1.3
135.04485	1.1
147.04558	0.6
149.02374	0.7
151.04015	3.2
152.01144	100.0
153.01942	19.4
161.13329	2.3
163.03967	3.3
175.03951	0.7
179.03516	1.4
184.46294	0.6
187.11317	0.8
205.05246	0.6
205.12291	3.2
207.02965	0.6
209.08212	0.6
211.69136	0.6
223.05927	0.6
231.19217	0.6
241.07201	5.1
249.11166	0.8
267.04959	1.1
283.06125	1.0
285.06146	8.5
334.61847	0.5
373.11264	0.7
399.09314	12.5
400.09583	0.9
417.10370	26.7
418.10788	1.3
605.22510	3.6
649.21350	14.4
650.21722	1.9
667.22192	1.0
829.27661	76.1
830.27826	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	829.277
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62896	0.6
59.01379	12.9
64.72323	0.6
69.35479	3.0
69.35901	1.9
71.01379	9.7
71.57451	0.6
72.99313	1.2
73.02937	1.0
77.03013	0.6
82.39664	0.7
85.02951	2.5
89.02462	3.9
95.01401	0.7
101.02440	2.0
108.02172	52.6
109.02969	23.2
113.02462	1.6
119.05035	0.7
122.82808	0.6
123.00897	0.6
126.62904	0.5
128.78484	0.7
129.42874	0.6
135.04532	0.9
138.42415	0.6
148.25513	0.6
150.23590	0.6
151.04005	3.4
152.01143	100.0
152.03551	2.5
153.01932	8.2
161.13368	1.4
163.03992	4.5
177.02002	1.0
187.11301	1.0
205.12381	2.3
241.07141	4.9
267.05234	0.7
271.32773	0.6
285.06174	2.8
390.10150	0.7
399.09222	8.5
417.10364	26.7
418.10629	2.5
430.82895	0.7
448.72916	0.6
514.48828	0.6
562.10864	0.6
605.22321	1.9
649.21204	5.5
650.21680	1.4
803.01727	0.6
829.27649	69.6
830.27972	13.1
843.04974	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5211
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	0.4
59.01078	0.4
59.01375	7.4
61.98828	1.4
67.96716	0.4
69.03455	1.2
71.01008	0.3
71.01377	9.2
72.99284	0.6
73.02943	1.9
77.04119	0.4
81.03447	0.5
83.01376	1.5
83.05008	0.8
85.02943	7.3
87.00851	2.5
89.02434	5.9
91.03998	0.4
95.01378	0.7
96.96002	0.4
97.02935	1.3
97.06587	3.1
97.80056	0.4
98.19893	1.0
99.00900	0.6
101.02445	8.0
109.06602	0.4
113.02453	4.8
115.04011	0.5
119.03477	1.8
125.02445	0.5
125.09697	1.9
127.11292	1.4
133.04985	0.8
137.09749	1.5
137.15170	0.4
143.03497	1.3
145.05064	1.1
151.11363	0.4
155.10786	1.4
157.05038	0.5
159.03021	0.3
159.70560	0.4
161.04553	3.4
165.12846	1.3
167.10733	0.4
167.14461	0.7
171.10262	16.8
172.10580	0.5
177.12819	0.7
179.05618	1.1
183.13908	3.0
185.11784	0.7
193.12329	1.1
194.70930	0.4
197.11845	1.1
201.11339	0.5
203.10901	0.6
209.11806	1.4
211.13387	18.2
212.13747	0.6
219.13705	0.4
221.11807	3.4
223.13419	0.5
227.12863	0.5
229.14424	12.7
230.14728	0.6
233.22678	0.6
235.08218	16.2
239.12935	1.8
253.09283	32.0
254.09665	1.0
257.14108	0.5
273.18695	0.5
275.20163	0.6
277.21710	100.0
278.19305	0.7
278.22064	6.8
291.19632	7.7
293.21231	1.6
295.22794	1.1
309.20682	16.8
310.20901	1.2
311.22281	1.4
327.21747	86.5
328.22104	6.3
349.65817	0.5
470.42133	0.5
513.30652	1.2
545.29486	4.7
546.29712	0.6
563.30682	6.1
564.30908	0.7
587.43054	2.7
593.48151	0.4
823.46570	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64381	1.5
59.01376	85.7
67.01894	2.3
68.99800	4.7
69.03435	3.6
71.01377	40.1
72.99302	9.6
73.02951	8.1
75.00871	34.6
81.03465	2.2
83.01377	13.1
85.02946	44.3
87.00874	12.3
87.99350	1.5
89.02431	11.1
93.03463	3.0
95.01379	9.0
97.02919	4.4
99.00887	20.5
99.04531	9.2
101.02423	9.4
101.27632	1.6
103.00382	3.7
111.00886	3.6
113.02450	52.4
115.00387	2.2
115.87792	1.8
117.01947	4.5
117.03460	31.0
119.05025	38.5
123.05305	1.9
125.02451	22.7
129.01906	3.8
139.00357	1.8
145.02945	100.0
146.03259	4.3
149.04498	1.5
157.01485	2.6
158.12508	1.5
161.04492	3.4
161.05959	2.4
163.04008	30.3
175.02446	4.8
181.18404	1.6
187.03969	7.9
205.07137	3.0
231.05061	2.8
249.06120	45.4
250.06424	2.3
267.07205	73.8
268.07431	3.9
291.07352	2.6
307.08249	3.0
309.08270	23.8
351.09180	2.0
393.10303	6.4
411.11328	7.5
433.11176	4.8
475.12357	5.5
555.15442	4.5
577.15405	2.0
663.17310	3.2
681.18750	95.1
682.18909	11.3
701.19360	3.1
708.03741	1.7
730.37030	1.7
814.05359	1.8
827.22345	75.2
828.22882	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	0.8
58.40727	0.7
59.01374	14.4
59.94840	0.5
61.98824	2.3
69.03459	2.6
71.01376	13.0
71.15612	1.1
72.99309	1.3
73.02944	2.8
78.95898	0.7
81.03443	0.9
83.01396	1.8
83.05033	1.1
85.02950	12.4
87.00880	1.7
89.02437	13.0
93.03461	0.7
95.01376	0.8
95.05043	1.3
97.02937	3.1
97.06583	7.6
101.02429	8.8
113.02437	6.4
114.94733	0.7
119.03500	3.1
119.08694	0.7
120.43391	0.7
123.08150	4.4
124.08451	0.7
125.02458	2.0
125.09715	33.8
126.10056	1.1
127.11277	0.9
131.03462	1.0
137.09674	2.9
143.03484	1.9
155.10732	1.8
161.04507	3.8
165.12811	1.3
167.14377	0.8
169.08678	1.2
171.10255	34.6
172.10567	1.1
177.12866	0.9
179.05618	2.0
183.13867	2.6
185.11813	1.0
187.09738	14.7
193.12344	1.1
197.11829	0.9
199.13516	0.7
201.11281	2.2
209.11786	1.9
211.13353	14.9
221.11809	2.1
229.14404	11.5
229.16513	1.1
232.19128	0.6
235.08180	8.1
239.12959	1.1
247.20552	1.0
253.09264	33.1
254.09741	1.4
255.23268	16.7
256.23602	1.0
277.21698	69.4
278.22089	5.6
291.19647	9.0
292.20071	0.9
293.21185	4.9
295.22772	3.5
309.20676	29.3
310.21127	1.5
311.22266	4.3
327.21735	100.0
328.22009	7.1
397.13626	1.2
545.29700	4.5
563.30743	6.0
564.31396	0.8
587.43176	3.6
823.46844	54.2
824.47241	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	823.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.4
59.85474	0.2
61.98821	0.9
67.01891	0.4
67.15002	0.2
69.03455	0.5
69.13174	0.2
70.53265	0.7
70.59237	0.2
71.01370	0.4
81.03400	0.3
83.05025	1.5
84.26305	0.2
85.81413	0.2
93.03454	0.6
95.05021	1.9
97.06574	0.5
98.20358	0.4
101.23082	0.2
106.04214	0.3
107.05035	0.3
109.06593	1.3
111.08156	15.9
113.09721	1.0
119.04979	0.4
121.06602	0.6
123.08168	0.3
135.11789	0.5
137.09726	1.2
139.11272	0.5
141.09181	0.5
147.08115	0.3
149.09726	0.7
151.11253	0.5
155.10764	0.3
159.11803	0.4
167.10773	3.2
169.12341	0.4
171.10066	0.2
177.09181	0.3
177.12833	3.0
179.10779	3.0
179.14279	0.4
193.15919	0.3
195.13892	10.6
196.14275	0.5
196.20213	0.2
197.11746	0.8
203.14432	0.8
209.11821	0.8
211.13359	0.3
223.13409	1.1
229.19495	0.2
247.20654	3.7
273.18613	2.6
277.21753	1.0
291.19644	100.0
292.19992	7.3
295.19415	0.3
309.15182	0.3
309.20694	1.5
371.60406	0.2
748.98297	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.5
65.00301	0.5
68.99805	0.6
69.03452	0.6
71.01373	7.1
72.99296	1.5
73.02950	0.4
73.66978	0.4
75.00864	16.4
83.01380	1.5
84.02142	0.7
84.81073	0.4
85.02935	7.2
87.00871	7.7
89.02432	3.4
93.03451	0.8
96.95979	0.8
98.20692	0.6
99.00874	3.4
101.02424	1.8
107.01366	0.6
109.02969	0.7
111.00845	1.1
113.02442	0.5
117.03445	0.6
119.05013	18.0
120.05367	0.9
121.02946	1.0
123.00880	0.4
125.02424	9.2
129.01936	10.5
133.06630	0.9
137.02452	2.2
139.03984	1.1
141.01932	0.8
145.02933	3.4
151.00374	3.5
152.01140	0.7
153.01985	2.0
159.02995	3.8
161.04643	0.4
161.06017	1.4
163.03989	27.2
164.04349	0.9
165.01903	2.2
167.03459	2.3
175.00377	0.7
176.04611	0.4
177.04024	35.6
178.04330	1.2
178.99835	3.6
179.05544	0.7
181.01381	0.4
181.59695	0.4
190.02612	0.5
191.03462	1.3
192.00630	0.5
193.01385	9.7
194.01825	0.4
195.05077	45.7
196.05435	1.2
205.05037	1.6
215.03461	0.7
233.04553	0.8
255.02937	1.4
257.04504	0.7
265.07120	0.8
275.05524	0.9
283.02365	3.6
287.55881	0.5
301.03394	1.2
319.04471	0.7
319.07977	0.5
323.07712	1.7
341.08719	100.0
341.56943	0.4
342.09048	7.7
355.06668	2.6
387.16376	0.8
395.09415	0.5
437.10855	0.5
463.08658	6.4
464.08578	0.6
481.09790	23.0
482.10471	2.4
522.68304	0.5
587.83521	0.5
842.67194	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	53.8
71.53899	13.9
77.16767	10.1
97.44697	11.3
100.80729	10.5
113.02434	12.1
116.92918	16.9
132.81526	10.1
165.18431	10.9
169.12323	13.6
171.10260	28.8
197.11801	56.6
199.09885	11.2
209.11800	86.3
226.73721	10.9
227.12860	21.3
253.09326	23.4
291.19559	23.3
307.19034	19.4
309.20645	100.0
349.75748	11.2
545.29797	15.6
823.42194	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
58.00595	0.3
59.01377	6.7
61.98829	1.3
69.03436	0.7
71.01013	0.4
71.01379	6.0
71.67124	0.2
72.99294	0.5
73.02934	1.1
75.81312	0.2
81.03430	0.3
83.01379	0.5
83.05010	1.0
85.02951	1.6
87.00891	1.4
89.01920	0.4
89.02441	4.1
93.03416	0.3
95.01379	0.4
95.05025	0.8
96.95968	0.3
97.02984	0.3
97.06619	0.4
99.00897	0.6
101.02430	5.2
109.06586	0.7
111.07382	0.6
111.08155	9.8
113.02442	2.8
113.09731	0.8
119.03506	1.1
125.02455	0.3
135.11786	0.6
137.09714	0.7
141.09200	0.5
143.03458	0.7
145.05049	0.7
149.09665	0.3
155.50639	0.2
161.04541	2.5
167.10760	2.5
169.12311	0.6
171.10223	0.7
177.12856	2.2
179.05656	0.6
179.10745	1.5
179.14389	1.0
181.12263	0.3
185.11804	0.4
193.15944	0.4
195.13882	15.2
196.14432	1.4
197.11790	0.7
203.14381	0.5
205.12297	0.8
205.15999	0.5
209.11841	0.5
211.13371	1.1
221.11847	0.3
223.13388	6.7
224.13786	0.3
225.14893	0.4
228.13676	1.1
231.21164	0.3
235.08255	2.8
247.20697	1.8
248.21179	0.3
253.09265	19.7
254.09514	0.6
256.13132	1.9
265.21732	0.5
273.18637	1.3
275.20139	8.0
276.20465	0.7
277.21753	1.0
291.19641	100.0
292.17154	0.2
292.19968	8.7
293.21204	98.8
294.21527	8.5
309.20834	0.7
325.20230	0.8
373.05005	0.4
402.88550	0.3
492.21906	0.5
527.28687	1.4
529.28967	0.3
556.60547	0.3
602.63672	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.6
57.16700	0.2
58.00604	0.6
59.01377	4.4
60.42535	0.2
61.98829	9.3
69.03437	0.6
71.01379	5.3
71.05012	0.3
72.47233	0.3
72.99299	0.3
73.02949	1.1
80.91674	0.3
80.96528	0.3
83.01385	0.5
85.02953	0.9
87.00873	0.9
89.02448	4.3
91.04002	0.3
95.01396	0.8
97.06625	0.4
99.00920	0.4
101.02441	4.9
109.06607	0.4
111.08154	6.9
112.08517	0.3
113.02446	2.2
117.75474	0.3
119.03506	1.0
127.07646	0.8
131.03514	0.4
141.09233	0.3
143.03477	0.5
145.05078	0.3
151.11281	0.4
153.12883	0.6
161.04553	2.6
167.10771	0.6
169.12341	3.1
171.10287	0.5
177.12856	0.5
179.05603	0.9
179.10794	0.4
179.14381	0.9
181.12375	0.9
183.13863	0.7
193.12399	0.3
195.13890	8.1
196.14394	0.9
197.11821	31.5
198.12170	1.8
199.13402	2.0
205.12270	0.7
205.16072	0.3
211.11459	0.5
211.13387	5.7
223.13380	5.7
224.13815	0.7
225.14928	0.3
227.12946	0.6
228.13600	0.9
231.21083	0.5
235.08220	2.5
247.20670	0.3
253.09277	30.5
254.09662	1.1
256.13229	1.3
263.20126	2.6
265.18057	0.8
273.18591	0.5
275.20157	6.1
276.20477	0.5
291.19647	11.3
292.19952	1.4
293.21210	100.0
294.21533	8.0
309.20694	50.2
310.21066	3.9
330.02390	0.3
396.24811	0.3
433.20856	0.4
527.28638	0.7
529.30066	1.6
545.29584	0.9
585.41467	2.7
586.41919	0.3
821.50214	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.7
58.00593	0.5
59.01377	5.6
59.01653	0.4
61.98829	23.8
64.68699	0.3
69.03471	1.1
71.01369	4.8
71.01712	0.3
73.02959	0.9
75.26508	0.3
77.81751	0.2
78.18794	0.2
80.96509	0.4
83.01395	0.5
83.05036	0.7
85.02965	1.5
87.00886	0.7
89.02446	3.5
91.81751	0.3
93.03461	0.3
95.05065	0.5
96.96039	0.4
97.02952	1.9
97.06611	0.6
99.00887	0.4
101.02432	4.9
111.08163	6.9
111.08897	0.5
113.02465	2.6
113.16429	0.3
119.03484	1.5
123.49392	0.3
125.09738	0.7
127.07674	0.5
137.09761	0.7
141.09236	0.3
141.84384	0.3
143.03473	0.5
147.39232	0.3
151.11398	0.5
153.12856	0.9
161.04532	2.2
163.11310	0.5
165.12840	1.2
167.10757	0.6
169.12321	2.9
171.10245	2.3
177.12781	0.4
179.05560	0.8
179.10820	0.6
179.14453	0.8
181.12361	1.3
183.13930	0.8
191.14452	0.4
193.12440	0.7
195.13895	7.6
195.15584	0.6
196.14464	0.6
197.11818	32.7
198.12169	1.5
199.13353	1.5
205.12291	0.8
205.16098	0.5
209.11804	1.0
211.13412	5.1
223.13377	5.7
224.13860	0.6
225.14897	0.4
227.12892	1.4
228.13689	0.7
231.21109	0.4
235.08264	1.9
247.20695	0.9
253.09270	28.2
254.09546	1.1
256.13150	1.2
263.20129	1.7
265.18115	0.8
265.21417	0.4
273.18591	0.9
275.20129	5.9
276.20410	0.6
291.19650	24.1
292.20010	3.1
293.21210	100.0
294.21548	8.1
294.24698	0.7
309.20688	63.2
310.21036	6.0
356.80429	0.3
388.88303	0.3
412.72565	0.3
433.20828	0.8
448.86386	0.3
477.03058	0.4
492.22198	0.6
520.82800	0.4
527.28302	0.7
529.29865	0.9
545.29480	2.2
546.29865	0.4
580.92645	0.4
585.41302	2.7
586.41455	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.8
59.01381	6.1
61.98830	13.5
69.03449	0.7
69.43152	0.3
71.01083	0.4
71.01373	4.3
73.02924	0.8
78.87088	0.3
78.95891	0.4
80.96487	0.9
83.01407	0.5
83.05016	0.4
85.02925	1.5
87.00849	0.8
87.69877	0.4
89.02451	3.4
95.01354	0.8
95.04961	0.4
96.95985	0.5
97.02937	2.1
97.06571	0.6
98.19856	0.8
100.59377	0.4
100.60055	0.4
101.02433	3.9
109.06549	0.6
110.03617	0.4
111.08162	5.5
112.60086	0.4
113.02435	2.8
113.09707	0.7
115.34477	0.3
119.03462	1.3
125.02512	0.4
125.09680	0.8
127.07635	0.6
130.65463	0.4
137.09683	1.2
143.03397	0.4
145.05061	0.4
147.40126	0.4
152.37735	0.4
153.12874	0.5
161.04547	2.7
163.11276	1.1
165.12813	1.9
167.10770	0.7
169.12334	1.8
169.90614	0.4
171.10287	2.8
177.12671	0.7
179.05515	0.8
179.14346	1.1
181.12274	1.7
183.13876	1.3
185.11800	0.4
191.14406	0.4
193.12289	1.2
195.13901	8.7
196.14282	0.5
197.11821	20.3
198.12068	0.8
199.13354	1.3
205.12218	0.7
209.11772	1.0
211.13380	5.8
223.13393	5.6
224.13745	0.6
227.12888	2.0
228.13675	1.0
229.32896	0.4
229.34975	0.4
235.08153	2.6
241.72870	0.4
247.20604	1.3
253.09277	28.7
254.09572	1.3
256.13077	1.0
263.20102	1.4
273.18570	1.2
275.17322	0.8
275.20105	6.5
276.20639	0.6
291.19666	22.1
292.20111	2.4
293.21210	100.0
294.21570	8.5
309.20703	63.7
310.21091	5.3
372.61224	0.4
527.28552	0.8
529.30194	1.1
545.29565	2.7
585.41534	4.2
586.41833	0.5
586.95569	0.4
821.39465	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.8
61.98828	45.2
69.03459	0.4
71.01379	4.1
71.05017	1.5
71.52853	0.3
73.02951	1.2
78.95894	0.9
80.02696	0.4
80.96521	1.5
81.03447	0.7
82.95419	1.5
83.05032	0.8
85.02959	1.2
87.00871	1.2
89.02439	2.4
95.01344	0.4
95.05005	1.0
97.06625	0.5
99.00870	0.4
101.02428	3.9
101.39081	0.4
106.04262	0.8
109.06585	6.6
110.98525	0.4
111.04535	2.5
111.08139	1.0
113.02444	1.8
119.03468	0.7
123.08148	1.2
125.09698	0.3
127.07673	0.7
137.09723	0.8
143.03404	0.4
143.10814	0.8
145.06580	1.1
149.09689	0.8
151.11229	0.6
161.04535	1.4
167.10767	1.9
171.10269	0.5
177.12805	0.7
179.05591	0.4
179.10745	1.1
179.14401	0.5
181.12311	0.8
191.14415	0.4
195.13895	9.2
196.14320	0.5
201.73373	0.4
208.87718	0.4
211.13310	0.6
223.13368	5.1
224.13776	0.4
225.14885	0.8
235.08250	3.2
235.13356	0.6
245.19063	4.4
251.16544	0.5
253.09267	17.1
254.09579	0.8
256.13040	0.9
271.17032	1.1
273.14862	0.4
275.20145	5.7
287.16412	1.3
289.18076	100.0
290.18402	7.5
291.19559	0.4
293.21201	88.0
294.21530	6.2
307.19119	4.4
309.20892	0.5
393.59079	0.4
492.22000	0.6
525.27094	4.2
526.27478	0.7
529.30212	1.0
565.38660	0.8
623.98065	0.3
819.51233	1.0
826.28625	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	19.5
58.03770	0.4
59.01379	38.4
60.01688	0.4
69.03434	0.6
71.01377	9.3
72.99286	0.6
73.02943	1.2
81.03461	0.5
81.45623	0.3
83.01387	0.7
85.02946	2.8
87.00918	0.3
88.39545	0.3
89.02441	7.1
94.78799	0.3
95.01357	0.8
95.05038	0.5
97.02950	4.7
99.00872	0.4
99.04519	16.7
101.01799	0.7
101.02442	10.5
113.02442	3.6
119.03482	2.8
125.02441	29.6
126.02769	0.6
129.01895	0.4
134.03743	0.4
143.03506	1.7
147.08153	0.5
155.49417	0.4
161.04533	1.4
163.11282	23.4
164.10257	0.4
164.11621	1.5
168.12758	0.3
179.05542	0.5
203.05585	1.0
207.10236	0.9
229.01729	0.4
243.08711	1.0
283.57745	0.3
287.07666	0.3
320.68948	0.4
329.08783	2.3
331.07538	0.4
339.57675	0.3
343.17682	0.6
360.26837	0.4
369.11850	1.1
369.32547	0.3
387.16586	100.0
388.16940	8.8
431.11880	11.5
432.12210	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.2
59.01381	10.2
61.98837	7.2
62.92356	1.0
71.01387	8.3
71.52494	1.4
80.96484	1.6
83.05036	1.9
85.02954	2.4
87.00844	1.6
89.02437	6.3
93.03504	1.3
95.05014	1.9
95.75890	1.1
101.02476	6.6
109.06561	1.4
111.08153	14.2
113.02432	2.7
127.07655	2.7
137.09669	1.9
151.11191	1.8
161.04424	2.0
167.10757	3.0
171.10316	1.3
177.12788	2.7
179.10786	2.5
179.14438	1.3
189.62001	1.2
195.13902	15.3
211.13422	1.6
223.13399	4.3
235.08177	2.9
235.13298	1.9
245.19112	2.5
247.20662	2.5
253.09258	15.8
263.20236	1.6
273.18506	2.4
275.19983	4.1
277.21637	3.6
287.53586	1.2
289.18100	22.5
290.18301	1.6
291.19653	100.0
292.19904	8.8
293.21204	45.8
294.21494	3.2
297.87637	1.1
307.19104	31.9
308.19382	2.3
487.71408	1.3
527.28326	1.8
543.28101	5.7
801.48297	2.3
819.49689	4.7
820.49396	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	818.454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49312	0.1
61.75817	0.1
61.98826	100.0
62.98547	0.2
66.39867	0.1
71.01371	0.2
71.53519	0.2
80.96505	0.3
103.86610	0.1
110.86722	0.1
121.02956	0.2
125.39370	0.1
135.08176	0.2
171.10239	0.3
209.11969	0.2
211.13402	0.3
239.03397	0.1
253.09337	0.4
278.16125	0.1
289.18103	0.4
291.19653	0.3
292.20160	0.2
293.21286	0.8
307.19095	0.3
309.20770	0.1
513.12970	0.1
801.48254	0.2
819.39136	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	818.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98827	100.0
62.98528	0.2
71.01377	0.3
71.36404	0.1
75.54759	0.1
78.95898	0.1
79.95779	0.2
80.96510	1.3
89.02477	0.1
94.98105	0.2
96.76813	0.1
104.25626	0.1
112.01785	0.1
112.76598	0.1
148.99098	0.1
164.98618	0.1
179.17082	0.1
195.13916	0.1
197.11819	0.1
209.11874	0.4
210.12210	0.2
225.00803	0.2
244.79886	0.1
245.19170	0.1
253.09355	0.4
273.53513	0.1
275.20349	0.1
277.21683	0.1
278.22195	0.1
289.18005	0.7
291.19644	0.5
293.21194	0.8
307.19058	0.6
309.20877	0.2
323.88492	0.1
402.39423	0.1
426.48947	0.1
461.96570	0.1
498.18225	0.1
669.70172	0.1
683.22870	0.1
819.41827	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
60.24442	0.1
61.98827	100.0
62.99261	0.2
67.07796	0.2
69.45403	0.4
69.45811	0.9
71.01395	0.7
75.50536	0.2
79.95725	0.9
80.04224	0.2
80.96518	4.1
87.82999	0.2
94.98084	1.0
97.02974	0.2
98.20658	0.2
104.03905	0.2
106.98109	0.3
116.92869	0.5
122.97610	0.3
125.02421	0.2
134.97556	0.2
141.01779	0.3
148.99139	0.4
152.98674	0.3
157.03949	0.2
164.98669	0.4
185.11780	0.2
197.11795	0.9
199.13321	0.3
207.10274	0.2
209.11806	1.8
210.12251	0.7
211.13449	0.3
225.00769	0.7
225.11496	0.2
226.01126	0.2
227.13026	0.5
228.13303	0.2
253.09344	0.4
291.19788	0.5
292.20032	0.2
309.20734	0.8
310.21210	0.8
339.22150	0.2
381.86993	0.2
529.14648	0.2
711.62964	0.2
815.50079	0.6
816.49945	3.5
817.51477	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00909	3.1
57.03428	8.8
59.01379	98.1
61.98832	29.5
69.03445	15.5
69.37759	17.6
69.38163	7.9
71.01009	6.4
71.01383	93.4
72.99304	8.9
73.02943	13.9
80.96509	13.6
81.03468	7.8
83.01377	7.5
83.05009	9.2
84.12914	3.2
85.02964	23.0
87.00867	27.0
89.02440	60.5
95.01397	7.3
95.05013	14.3
96.96000	10.7
97.02953	16.3
97.06625	4.1
99.00900	8.0
101.02437	53.5
109.02934	3.9
109.06585	22.9
113.02451	26.4
119.03531	17.9
121.06570	6.9
125.02433	19.2
125.09693	8.0
127.11292	4.9
131.05061	3.3
133.06558	3.2
137.09773	5.4
143.03462	8.2
149.04523	3.3
149.09689	10.1
161.04539	13.6
163.11298	19.7
171.10262	100.0
172.10573	4.6
175.02464	3.6
179.05606	23.1
179.10660	3.5
181.12225	4.5
183.10258	9.2
185.11801	8.9
195.13837	3.6
199.13329	3.6
203.14345	12.6
207.10255	49.7
208.10449	3.6
209.11809	28.4
210.12175	3.9
211.13388	36.9
212.13635	3.5
219.13997	7.2
221.06587	10.5
223.13419	5.2
225.11317	40.7
229.12384	5.5
229.14401	15.8
231.13943	4.8
235.08147	9.4
235.13441	5.3
237.14972	23.2
247.13347	62.6
249.15025	4.0
253.14340	6.4
263.07639	6.1
265.14432	30.5
339.23190	3.8
357.24289	7.4
375.25522	5.5
379.12436	8.9
383.22266	13.0
391.24890	21.8
397.13431	68.2
398.13724	6.0
401.23395	29.2
402.23761	4.2
409.25867	21.4
415.14386	21.8
419.24365	24.0
437.25565	13.9
454.48019	3.4
605.24213	5.4
623.25354	4.4
771.38147	5.6
781.36298	18.7
782.35938	6.2
789.39044	17.3
799.37799	47.1
800.19360	3.4
800.37543	9.5
817.38287	92.3
817.49506	6.9
818.39038	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.9
59.45793	0.4
63.96250	2.1
65.74079	0.4
69.03459	0.6
71.01378	10.3
73.02941	1.9
78.98593	7.7
79.95734	17.6
80.96515	100.0
81.03462	0.8
83.01389	0.7
85.02946	3.8
87.00880	3.7
94.98087	21.6
96.96010	1.5
97.02929	1.9
98.19862	0.8
99.04494	0.6
101.02438	2.8
106.98097	3.7
122.97570	3.8
125.02435	3.9
127.04005	1.1
134.97591	6.6
136.99101	2.1
146.97580	0.6
148.99141	6.8
152.98639	6.9
157.58087	0.4
161.04622	0.5
164.98616	15.5
165.98984	0.5
167.00146	0.9
179.00175	0.5
188.98631	0.5
189.65268	0.5
206.99701	2.9
225.00732	20.6
226.00981	0.5
229.39319	0.4
244.58865	0.4
255.23338	2.3
257.05661	0.4
277.21732	1.4
352.67471	0.4
456.20120	0.5
537.27264	1.7
559.25873	2.4
815.49817	97.5
816.50116	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	816.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.1
61.98825	100.0
62.98535	0.1
69.40790	0.1
69.41203	0.3
98.19809	0.1
136.55321	0.1
188.65286	0.1
197.91867	0.1
240.40935	0.1
268.03708	1.0
269.04108	0.9
270.04361	0.5
271.04684	0.2
283.06082	2.0
283.09100	0.1
284.06433	1.9
285.06659	1.2
286.06903	0.5
320.28662	0.1
519.96429	0.1
529.99866	0.1
633.03558	0.1
756.23816	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05801	0.5
59.01376	4.1
61.98824	2.3
71.01384	5.1
73.02927	0.8
78.95906	7.7
78.98579	0.8
79.95738	1.9
80.02668	1.2
80.20535	0.5
80.96516	9.7
81.03448	1.0
83.05016	3.9
85.02954	1.4
87.00893	1.1
88.98798	0.8
89.02456	1.1
89.39423	0.6
94.98092	2.1
95.05022	0.7
96.96952	1.6
98.19859	1.1
101.02431	3.6
113.02448	0.9
119.03472	0.9
148.99088	0.8
152.99602	1.5
161.04607	1.3
163.11307	3.1
164.98639	1.2
165.12820	1.8
171.10274	3.5
191.10725	0.6
209.11815	100.0
210.12192	6.0
223.00081	0.7
225.00739	2.2
227.12880	12.6
228.13182	0.7
232.88864	0.5
235.08195	3.9
239.44104	0.7
241.01161	3.4
253.09241	9.0
254.97292	0.7
255.23230	3.8
277.21704	90.1
278.22055	7.5
310.66101	0.6
396.70084	0.5
419.64828	0.6
445.20865	3.0
456.78506	0.6
503.29605	0.5
506.93149	0.6
513.30615	1.3
725.38989	2.0
726.40381	0.7
797.41180	6.3
798.41577	1.4
815.50458	10.1
816.50409	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	815.498
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92548	0.8
63.96232	2.2
69.03446	0.6
71.01376	9.0
71.27415	0.9
73.02940	1.9
78.98585	8.1
79.95731	17.7
80.96515	94.8
81.03455	0.9
84.09542	0.5
85.02930	3.3
87.00864	3.6
94.98087	21.4
96.95998	1.4
97.02963	1.7
99.00890	0.8
101.02443	3.2
101.03043	0.6
106.98096	4.4
112.89172	0.5
122.97578	4.4
125.02433	2.5
127.03995	1.6
134.97578	6.2
136.99161	1.8
140.47849	0.6
148.99127	8.5
152.97507	0.6
152.98636	6.7
153.21201	0.6
164.98630	14.7
186.21255	0.5
206.99702	3.0
225.00735	20.1
255.23265	2.1
277.21671	1.3
478.36142	0.6
537.27112	1.1
559.25635	2.2
573.56329	0.8
701.89783	0.7
753.19635	0.7
815.49817	100.0
816.50037	21.4
816.65137	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.1
61.98829	100.0
62.98520	0.1
69.21027	0.7
80.96523	0.2
84.56384	0.1
94.98081	0.1
95.54264	0.1
110.57906	0.1
211.13521	0.1
291.19574	0.1
583.97949	0.1
815.50598	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
63.26355	0.1
66.39532	0.2
71.01388	0.2
71.36694	0.3
75.00871	0.1
79.95750	0.1
80.35702	0.1
80.96494	0.8
94.98050	0.3
98.20571	0.1
147.28383	0.1
177.06456	0.1
177.97324	0.1
225.00720	0.2
232.02130	0.1
277.21866	0.3
381.52130	0.2
636.23285	0.1
815.50140	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.1
60.76438	0.1
61.98827	100.0
62.98533	0.1
70.07552	0.1
71.01381	0.2
75.00862	0.1
80.96513	0.2
98.19934	0.1
98.20498	0.1
101.02446	0.1
109.90395	0.1
125.61582	0.1
134.47231	0.1
144.16225	0.1
195.13878	0.1
197.11882	0.2
209.11877	0.1
211.13365	0.1
223.13463	0.2
224.13756	0.2
225.14043	0.1
227.12900	0.1
291.19714	0.2
292.20071	0.1
307.19342	0.1
309.20670	0.1
310.21014	0.1
381.54031	0.1
470.25888	0.1
527.73077	0.1
754.44580	0.1
815.49866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	9.4
61.98827	42.5
63.96249	2.3
69.03429	2.7
69.84656	5.3
71.01371	19.0
73.02942	2.9
76.03758	1.7
78.32303	1.8
78.98573	6.8
79.95734	19.5
80.96514	87.2
81.03425	2.9
83.05018	4.6
85.02942	5.5
87.00853	5.1
89.02428	4.3
94.98072	17.4
96.30981	1.4
96.95972	2.2
97.02938	5.4
98.09341	1.4
101.02427	8.4
106.98065	4.1
108.54887	1.4
111.08121	4.5
112.85529	1.3
113.02444	3.0
122.97552	4.8
125.02421	3.8
134.97572	4.6
135.08160	1.9
136.99084	2.5
141.90326	1.4
148.99117	6.4
149.60078	1.6
152.21864	1.7
152.98579	6.2
161.04539	2.5
163.11281	4.5
164.98630	17.1
165.12819	2.8
165.89571	1.5
169.12317	3.0
171.10219	6.5
183.13841	1.7
185.11816	1.6
190.98193	1.5
197.11856	16.4
199.13356	4.5
206.99698	2.6
209.11812	100.0
210.12108	5.8
211.13373	12.8
219.74744	1.6
223.13338	4.7
225.00717	17.7
225.11270	4.4
227.12877	16.6
235.08206	4.2
253.09286	16.1
255.23381	1.8
288.84561	1.9
291.19653	19.8
293.21188	4.7
309.20679	43.7
310.20990	4.9
343.00610	1.8
347.47552	1.7
397.13556	2.4
445.20773	3.4
551.27924	1.7
815.49786	90.8
816.50134	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	812.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
69.52029	1.1
93.03480	0.3
97.85421	0.2
98.20642	0.3
112.40933	0.2
131.82690	0.2
133.05046	0.3
134.89478	0.3
135.03040	0.2
135.92085	0.3
136.87292	0.2
136.89174	0.3
137.02452	0.7
215.64168	0.2
224.67558	0.2
359.28363	0.2
595.40533	0.2
734.86035	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99303	16.8
61.98821	0.2
68.57333	0.1
69.28683	0.8
71.01382	0.2
75.00902	0.1
87.00880	0.6
88.00386	0.4
88.98801	100.0
89.02437	2.2
89.99129	0.9
89.99612	0.1
118.10603	0.1
215.07207	0.1
268.03766	1.2
283.03052	0.2
283.06116	3.0
284.06308	0.2
292.85602	0.1
723.20837	0.2
766.99463	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.1
59.01380	12.8
61.98833	7.2
67.09842	1.4
69.30867	1.2
71.01363	7.2
76.75407	1.3
80.96505	1.8
83.01344	1.6
83.05033	1.6
84.73237	1.2
85.02934	2.1
88.98816	2.4
89.02428	3.4
90.90667	1.2
95.05035	1.3
96.96004	1.8
97.02950	12.5
97.06598	1.9
99.00880	11.2
101.02442	5.8
106.71352	1.5
109.06565	2.3
111.08147	5.2
113.02455	3.2
123.04537	1.8
125.09722	5.7
137.09703	2.1
142.02666	1.4
161.04568	1.9
163.11256	12.0
164.11629	1.3
165.12846	3.4
169.12297	1.8
171.10237	4.2
179.10789	1.6
181.12343	18.9
197.11798	23.4
198.11914	1.6
199.13382	2.6
207.10254	48.5
207.12212	2.5
209.11754	7.1
211.13393	6.3
225.11313	100.0
226.11646	4.1
227.12915	10.2
235.08185	3.6
243.12369	15.0
253.09375	7.3
273.18396	1.4
283.06274	1.7
289.18042	4.4
291.19653	24.1
292.20016	2.2
307.19211	3.2
309.20697	61.8
310.21048	4.0
317.16309	1.4
443.19202	1.7
461.20358	31.0
462.20670	3.3
735.39349	2.2
753.40607	52.9
754.40967	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.4
57.38727	0.8
58.41665	0.9
59.01376	23.1
61.98829	6.2
69.03439	3.4
71.01371	4.7
71.53618	1.2
73.02934	1.3
80.02660	1.0
80.23617	0.9
81.03446	1.2
83.01377	1.8
84.73510	1.1
85.02951	2.2
87.00890	1.3
89.02442	2.8
95.05035	1.5
97.02907	1.2
97.06623	1.7
101.02449	5.3
109.06616	1.6
113.02443	1.6
123.04503	1.4
125.09690	4.9
137.09735	1.4
143.03432	1.2
145.05190	1.1
161.04517	2.3
163.11252	4.2
167.10719	4.5
171.10287	1.0
179.10709	1.1
179.14394	3.5
181.12242	1.2
185.11835	4.1
191.14407	5.0
195.13925	8.5
205.12328	10.6
207.10284	2.1
209.11827	11.2
211.13249	1.2
223.13379	100.0
224.13734	5.1
225.11243	1.4
235.08182	5.3
245.19139	7.2
253.09305	13.0
263.20135	1.6
271.17178	1.7
277.21536	1.4
289.18088	39.8
290.18344	3.9
307.19147	36.9
308.19333	2.3
346.87204	1.2
415.25009	2.2
459.22360	11.4
459.87665	1.1
460.22586	1.8
464.14398	1.1
495.31241	1.8
513.32324	1.7
525.27075	1.7
543.28369	1.7
633.32678	10.0
634.32678	1.5
651.33502	2.5
713.38361	1.4
731.40570	2.0
749.40747	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
58.61627	0.4
59.01107	0.7
59.01378	9.5
61.98832	1.4
69.03461	2.1
71.01373	5.0
71.05016	0.7
83.01389	0.6
83.05034	1.3
85.02934	1.1
85.06590	0.5
87.00879	0.9
89.02441	3.2
97.02952	1.6
97.06584	0.9
101.02433	5.0
109.06549	0.9
111.08155	4.1
113.02454	2.1
119.03545	0.6
125.09740	1.0
137.09744	0.6
149.09706	0.9
151.11246	0.6
153.12859	0.5
161.04530	2.5
163.11261	0.9
165.12816	2.0
167.10741	3.4
169.12378	2.1
171.10245	2.3
177.12836	0.7
179.10759	1.5
179.14381	3.1
193.12383	0.6
195.13896	9.7
197.11818	24.5
198.12173	1.3
199.13405	1.3
205.12343	8.9
206.12724	0.6
207.10193	0.8
209.11661	0.9
211.13435	3.6
223.13382	100.0
224.13719	5.4
225.11328	0.9
225.14941	0.5
227.12810	1.0
229.44690	0.5
235.08234	5.2
247.20686	1.4
253.09279	13.9
253.11879	0.9
254.09593	0.9
263.20010	1.5
273.18671	0.5
280.63498	0.5
291.19641	17.8
292.19992	1.6
307.18829	0.5
309.20700	55.0
310.21027	4.5
390.46616	0.5
433.20572	0.9
441.21246	1.1
459.22388	15.1
460.22623	1.6
515.33759	1.4
516.34515	0.6
527.28381	1.4
545.29718	3.5
751.42395	4.8
752.43329	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98518	0.2
70.02799	0.7
70.71207	0.2
89.11977	0.1
127.55325	0.2
213.18323	0.2
223.13564	0.2
224.13857	0.2
238.60596	0.2
291.44513	0.2
458.05905	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	15.9
59.12770	10.9
61.98820	100.0
69.72719	41.2
69.73125	21.0
78.95868	11.5
79.37502	11.8
98.19897	23.6
131.03462	15.0
171.10190	17.6
183.51691	11.4
209.11852	92.8
211.13388	22.5
213.83977	15.2
227.12790	23.8
235.08199	16.8
253.09155	19.8
291.19586	21.6
293.21277	76.3
307.18787	17.1
445.21002	15.8
807.42645	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.3
58.00583	0.1
59.01374	2.5
61.98823	1.0
69.03458	0.3
69.35980	0.6
69.36398	0.2
71.01377	2.7
72.99306	0.2
73.02942	0.3
75.58159	0.1
78.57406	0.1
78.95936	0.1
80.91714	0.1
83.01389	0.1
83.05013	0.1
85.02965	0.7
87.00874	0.4
87.36695	0.1
89.02445	1.8
95.01360	0.1
99.00871	0.2
99.04540	0.1
101.02439	2.3
102.03222	0.2
108.68195	0.1
111.08159	0.3
113.02431	1.3
113.09713	0.3
119.03478	0.6
125.02441	0.2
141.09224	0.1
143.03491	0.3
161.04553	1.2
167.10753	0.3
169.12439	0.1
171.10268	0.3
177.12804	0.1
177.87494	0.1
179.05617	0.4
179.14368	0.9
181.12323	0.2
195.13890	8.0
196.14323	0.6
205.12411	0.8
205.15982	0.4
211.13393	0.5
223.13377	5.2
224.13814	0.5
228.13652	0.8
231.21156	0.4
235.08205	0.9
239.12979	0.2
249.22203	0.2
253.09265	17.8
254.09550	0.8
256.13147	1.1
265.21680	0.4
275.20142	5.4
276.20416	0.4
291.19775	0.2
293.21207	100.0
294.21539	8.3
354.88818	0.1
492.21994	0.4
529.30212	1.6
530.29987	0.1
569.42053	1.5
570.42395	0.3
744.14966	0.1
768.42828	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	11.8
59.44279	0.5
69.03451	1.8
71.01381	4.2
71.53490	0.6
72.86888	0.4
72.99304	1.4
73.02946	3.3
75.00884	0.6
81.03444	1.0
83.01392	1.5
85.02958	1.9
89.02434	1.0
93.03470	1.5
95.01376	7.9
96.96007	0.6
97.02963	1.7
99.00901	0.5
101.02427	3.8
107.01405	1.4
108.02167	3.3
109.02975	1.2
111.09145	0.4
113.02458	1.8
114.24525	0.5
119.05010	0.9
121.02965	2.8
122.03738	1.7
123.00879	24.5
124.01659	37.8
125.02453	21.3
131.03481	0.5
133.02942	0.9
134.03732	7.4
135.04539	0.7
135.54491	0.5
137.02438	3.0
146.03720	0.6
149.02443	4.0
149.06064	1.8
149.99573	61.9
150.03200	8.7
151.00366	4.3
151.03940	1.8
152.01144	4.6
153.01501	0.8
154.01628	0.6
161.02405	0.7
161.04538	1.3
161.06093	0.6
163.03960	1.8
164.04744	1.1
165.01961	1.2
165.05548	7.9
166.99838	8.9
167.03453	1.0
168.00626	100.0
169.01347	11.0
175.03928	1.0
177.01855	0.9
178.02655	2.8
179.03488	0.9
179.07147	1.1
179.10742	0.6
180.04245	1.5
180.84039	0.5
193.05031	4.0
194.05571	0.6
195.02998	0.5
195.06595	3.2
204.19704	0.4
213.40767	0.4
221.06525	0.7
225.07762	1.5
239.05508	0.7
246.77219	0.5
283.04465	0.7
285.03836	1.1
299.02121	0.6
301.05554	2.9
314.04312	0.8
329.06564	1.4
361.16357	0.9
373.18655	0.9
415.08853	1.2
447.09406	0.5
509.21573	1.3
553.20648	0.6
757.26947	0.8
789.53351	0.6
805.21832	80.0
806.22137	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.0
59.01380	2.5
61.98825	5.8
67.12250	0.3
69.03448	0.5
71.01370	1.0
71.22028	0.3
71.22367	0.4
75.83122	0.3
78.95901	0.9
80.96529	0.6
83.05042	0.4
89.02450	0.3
93.03441	0.3
95.05006	0.8
97.06600	0.4
101.02467	0.3
108.93826	0.3
109.06601	1.0
111.08153	8.2
113.09728	0.5
137.09703	0.7
141.35304	0.3
149.09666	0.5
167.10741	1.8
171.10313	0.5
177.12819	2.0
179.10800	1.9
179.14372	0.4
195.13870	6.3
203.14363	0.4
209.11639	0.4
223.13382	0.9
241.01106	0.3
247.20602	2.0
253.09259	1.2
273.18588	1.0
277.21689	4.9
278.22092	0.4
291.19635	100.0
292.19980	7.6
387.87827	0.3
452.88937	0.4
539.15790	0.3
805.41028	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.6
59.01380	11.0
61.98829	20.4
62.12266	2.2
71.01373	20.0
71.53679	2.6
73.02946	2.8
80.02679	2.1
80.96516	3.3
81.03476	3.0
83.01376	4.9
83.05014	7.1
87.00853	2.6
89.02428	3.1
94.67134	2.3
96.96017	15.1
97.02947	4.0
97.06638	3.5
100.21957	2.0
101.02457	6.9
109.06581	6.5
113.02427	6.2
125.09715	6.5
149.48793	2.2
155.10803	2.3
163.11324	10.4
165.12874	6.8
167.10754	2.6
171.10286	34.6
181.12299	2.7
183.13747	2.5
185.11784	6.7
195.63770	2.4
197.11774	8.7
199.13251	3.4
201.11334	11.8
201.27339	2.2
207.10222	19.6
209.11810	100.0
210.12119	7.7
211.13365	9.2
225.11327	26.3
227.12846	8.1
235.08235	3.5
245.19110	5.5
253.09181	15.7
289.18112	15.4
291.19659	19.0
292.19913	2.9
307.19232	12.2
309.15070	2.2
309.20685	34.1
461.20251	3.3
549.55054	2.0
753.41089	2.6
803.39172	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	803.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.5
59.01376	4.7
61.98822	6.5
69.30952	4.5
71.01380	3.5
78.95880	1.1
80.96504	0.8
83.05014	0.7
85.02949	1.3
87.00883	0.7
89.02449	2.9
95.05014	0.6
98.20670	0.9
101.02427	3.6
111.08152	8.8
113.02431	1.7
119.03481	1.0
125.02469	0.6
137.09793	0.5
145.04988	0.6
153.09142	0.7
155.66269	0.6
161.04546	1.7
167.10774	1.6
177.12819	2.2
179.10735	2.2
195.13885	11.5
196.14236	1.0
205.15828	0.6
223.13358	5.2
228.13641	0.8
235.08191	2.3
247.20639	2.2
253.09271	14.9
254.09601	0.8
256.13138	0.6
273.18539	1.9
275.20096	3.8
287.95062	0.5
291.19635	100.0
292.20001	8.2
293.21201	74.2
294.21585	7.0
527.28595	9.3
528.28894	1.0
529.30243	1.1
552.16986	0.7
734.42120	0.8
803.50177	0.9
829.82953	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.5
58.00576	0.5
59.01376	10.7
61.98823	8.8
68.99828	0.3
69.03437	1.0
71.01376	9.4
71.52599	0.3
72.99304	0.6
73.02946	1.5
81.03441	0.4
83.01379	1.1
83.05037	0.4
85.02941	2.2
87.00874	2.7
89.02438	7.9
92.47018	0.2
95.01377	0.6
96.96001	2.4
97.02938	1.5
99.00869	0.8
101.02432	7.7
111.04507	0.3
113.01732	0.3
113.02450	3.3
119.03486	2.2
124.72927	0.2
125.02449	3.2
131.03462	0.3
137.73172	0.2
143.03470	1.6
145.05089	0.3
149.04488	0.3
161.04538	2.2
163.11282	0.3
165.12802	0.3
167.10767	0.5
167.14349	0.7
171.10239	0.6
179.05602	2.3
183.13879	7.9
184.14240	0.3
185.04849	0.3
193.12296	1.9
197.11862	0.3
207.10245	0.4
209.11818	1.8
211.13367	100.0
212.13707	4.9
217.07088	0.5
221.06618	0.7
225.11357	0.6
225.14938	0.3
227.12881	0.4
235.08212	2.7
253.09320	0.7
253.14447	0.6
259.08203	0.5
263.07635	0.4
268.03787	0.3
283.06036	0.6
287.07700	1.0
289.68970	0.2
301.09436	0.2
305.08716	1.0
307.23642	0.2
323.09885	0.7
325.20148	0.3
341.23203	0.7
379.12366	4.1
379.16891	0.4
380.12799	0.5
397.13464	20.8
398.13696	1.4
405.26459	0.3
415.14551	4.6
415.19904	0.5
416.15088	0.4
554.81641	0.3
591.26514	5.5
592.26813	0.7
609.27606	5.9
610.27991	1.1
785.39740	2.0
803.43109	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.5
59.01381	10.9
61.98833	9.8
69.03438	0.8
70.67265	1.1
71.01378	10.4
72.99297	0.7
73.02940	1.4
83.01377	0.9
83.05025	0.7
85.02936	2.1
87.00876	3.0
89.02448	8.7
89.02998	0.5
95.01369	1.0
96.95990	2.5
97.02941	1.4
99.00895	0.6
101.02439	7.3
109.02943	0.5
113.02450	3.5
119.03486	2.5
121.02948	0.5
125.02438	2.9
128.45064	0.5
139.04132	0.4
143.03468	1.4
161.04552	1.7
162.06424	0.4
165.12875	0.5
167.14435	0.5
171.10275	1.5
179.05644	1.9
183.13885	7.3
193.12305	1.7
197.11790	0.5
209.11813	3.5
211.13391	100.0
212.13737	5.1
217.06995	0.5
221.06657	0.7
225.11263	0.6
227.12865	0.9
235.08231	2.4
253.09288	0.9
277.71021	0.4
287.07693	0.9
305.08844	0.9
322.70499	0.4
323.09885	0.7
325.20157	0.8
335.34967	0.4
341.22974	0.7
379.12418	4.1
397.13504	19.1
398.13800	1.0
402.42737	0.5
415.14581	4.1
416.15015	0.4
436.61420	0.4
453.90424	0.4
454.25241	0.4
465.24802	0.5
499.21994	0.5
573.54834	0.4
591.26538	5.9
592.26331	0.5
609.27655	6.2
610.27643	0.8
736.56506	0.5
782.22443	0.4
785.40021	1.7
803.42139	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
59.01376	100.0
60.01711	0.8
61.98825	3.6
69.03495	0.2
69.21999	1.8
71.01379	10.6
72.99308	0.3
73.02946	2.9
75.00874	0.2
78.95908	0.3
83.01391	1.1
85.02943	4.8
87.00874	0.5
89.02441	1.3
95.01402	0.7
96.54665	0.2
96.96004	1.8
97.02942	0.3
99.00861	1.5
101.02438	5.9
113.02438	4.3
119.03541	0.3
125.02453	0.6
143.03519	0.3
159.03023	0.7
161.04544	4.2
178.28485	0.2
209.11751	0.3
211.13419	0.6
269.04654	0.4
281.06635	0.2
283.05804	0.4
309.07947	0.2
315.18109	9.4
316.18613	0.9
357.19162	3.2
358.19620	0.5
480.76450	0.3
665.77222	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.5
61.98827	100.0
62.98544	1.0
69.67210	3.7
71.01382	7.8
73.02926	1.1
78.95914	1.5
78.98580	3.0
79.95734	20.4
80.96512	44.3
81.03494	0.8
85.02966	1.9
87.00878	2.0
94.98087	11.0
96.96030	0.8
97.02929	1.9
101.02448	1.7
106.98077	2.7
122.97569	2.3
125.02429	2.0
127.03989	0.8
134.97556	4.5
136.99184	1.0
148.99109	4.1
152.98575	3.9
157.18272	0.8
161.04584	1.0
164.98604	9.1
171.10181	1.0
178.28894	0.8
183.13890	2.5
187.16998	0.7
206.99657	2.7
207.10228	1.8
211.13382	0.9
223.09695	0.7
224.98647	1.4
225.00725	16.8
225.11391	0.7
232.42038	0.7
283.04865	1.6
291.19833	0.7
293.21231	1.4
341.05334	1.2
355.06796	1.0
509.16739	1.1
803.38824	58.6
804.39008	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	801.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
59.01377	5.9
61.98827	30.1
63.96230	1.9
64.79036	0.9
71.01380	9.7
71.01656	0.9
73.02959	1.8
75.00848	1.1
78.98587	8.2
79.95737	13.1
80.96516	86.5
83.01383	1.2
83.05037	1.3
85.02946	3.9
85.75712	0.9
86.00174	0.9
87.00877	3.5
94.98083	20.5
95.01373	1.4
96.96005	3.2
97.02929	2.1
99.04505	1.1
101.02441	3.8
106.98082	3.4
121.02955	1.1
122.97585	2.8
125.02466	3.6
127.04018	1.3
134.97577	6.2
136.99106	2.3
148.99159	8.1
152.98648	7.3
164.98615	15.8
165.05518	0.9
171.10278	1.1
183.13892	2.5
206.99687	2.7
209.11827	13.5
210.12167	2.9
211.13425	2.0
225.00729	28.4
227.12843	2.1
241.14430	1.5
249.96809	1.1
267.06512	1.4
351.71045	1.1
397.13809	1.3
541.19476	3.7
801.35791	100.0
802.36249	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	801.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	3.5
58.00579	2.0
59.01374	52.3
59.22006	1.1
61.98828	21.9
62.49411	1.1
65.03957	2.4
69.03453	5.0
71.01377	48.2
72.99296	5.5
73.02940	5.4
75.00866	2.3
79.95721	1.6
81.03474	1.9
83.01382	5.3
83.05019	7.1
85.02943	11.9
85.06586	2.3
87.00871	12.6
89.02437	36.9
93.03438	1.3
95.01396	2.5
95.04999	1.3
96.96010	3.5
97.02923	4.9
97.06580	5.4
98.20689	2.6
99.00843	3.8
101.02435	29.3
107.04971	1.6
107.08612	1.4
109.02936	1.5
109.06577	4.0
111.08168	5.9
113.02443	16.8
119.02769	1.2
119.03483	7.5
119.04948	2.3
121.02898	2.3
123.08138	2.9
125.02464	10.5
125.09704	17.4
131.03485	1.4
135.08119	2.1
137.09711	3.1
141.01907	1.5
143.03479	4.8
161.04547	5.9
163.11201	1.7
171.10255	41.1
172.10617	2.2
179.05611	9.1
185.11826	2.5
187.09619	1.6
189.16563	2.3
201.12628	1.8
205.15913	4.3
207.13812	2.3
209.11798	14.0
211.13370	16.8
215.14323	7.7
221.06622	6.7
221.15465	1.8
231.13872	6.0
233.15440	48.6
234.15724	3.2
235.08116	4.3
235.16986	1.2
249.14955	23.9
251.16441	3.0
275.16354	1.2
323.23846	1.7
331.26425	3.4
335.19482	1.4
341.24786	5.3
357.24121	2.0
359.25998	2.0
367.22748	3.6
375.25226	2.1
379.12390	4.6
385.23761	19.4
386.24127	1.5
393.26453	3.3
397.13458	22.0
403.24817	40.5
404.25110	2.8
415.14566	4.1
421.25873	17.0
422.26184	1.5
495.29147	1.7
551.23450	1.7
569.24567	1.4
581.76318	1.7
629.27966	3.1
773.39276	2.7
783.38043	100.0
784.38281	24.7
801.39050	85.7
802.39429	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.1
61.59201	0.1
61.98828	100.0
69.56950	0.2
69.57362	0.5
80.96509	0.2
151.82375	0.1
172.87312	0.1
211.13338	0.3
212.13715	0.1
277.21756	0.3
278.22189	0.2
279.22519	0.2
325.81332	0.1
327.49435	0.1
577.35468	0.1
773.70313	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	799.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.5
58.00576	1.3
59.01376	34.5
60.58728	1.2
61.98831	8.6
65.03976	1.3
69.03453	3.0
70.15462	2.7
70.15857	2.1
71.01378	100.0
71.05035	1.5
72.99310	3.8
73.02939	7.8
75.00875	2.2
80.02655	1.3
81.03454	4.4
83.01362	2.1
83.05022	3.7
85.02963	6.9
87.00861	6.8
88.98746	1.5
89.02445	26.0
95.01376	2.3
96.96034	1.4
97.02941	10.3
99.00885	4.4
101.02444	19.6
106.04238	1.3
107.05012	2.0
109.06581	29.5
113.02431	10.6
119.03516	6.9
121.06551	1.7
125.02408	7.1
125.09736	3.4
135.08151	3.1
142.02692	2.5
143.03474	4.2
161.04547	4.8
163.11285	16.3
171.10239	9.9
179.05612	5.3
181.12328	7.4
185.11804	3.7
189.09166	1.4
199.09827	2.4
201.11349	7.7
207.10242	68.2
208.10558	3.5
209.11797	6.8
211.13371	1.7
215.12733	1.5
221.06754	2.6
225.11299	56.9
226.11560	1.9
231.13844	2.6
235.08258	7.2
243.12317	4.7
253.09375	2.6
284.13614	1.3
301.42001	1.5
355.59390	1.4
383.22241	2.8
397.13461	27.6
401.23312	4.2
415.14545	20.5
416.14743	2.1
559.93658	1.5
614.91254	1.4
623.25537	38.7
624.26013	11.9
771.35956	1.4
781.36682	15.4
782.36835	2.0
799.37079	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	799.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	16.4
59.28926	0.8
61.74170	0.9
61.98829	3.9
70.51495	0.7
71.01377	5.4
73.02948	1.4
78.95925	1.9
78.98600	2.3
79.95735	6.9
80.96516	31.6
85.02948	1.1
87.00872	3.0
89.02477	2.2
94.98080	6.3
97.02949	1.2
101.02448	3.0
106.38120	0.8
106.98059	0.9
113.02424	1.8
122.97600	1.5
125.02454	1.9
134.97557	2.6
145.02953	1.3
148.99142	1.8
151.11169	0.9
152.98634	2.4
161.04503	1.0
164.98601	6.0
171.10239	1.1
183.13850	4.6
193.12453	1.1
207.68964	0.9
211.13376	100.0
212.13634	4.3
225.00713	8.9
228.98828	0.9
235.08224	3.1
253.09285	5.3
255.23337	1.4
274.60300	0.9
277.21704	67.3
278.22137	6.1
279.23492	1.0
396.94949	1.0
424.80872	1.0
429.21277	2.1
447.22290	7.8
468.89319	1.0
513.30542	2.4
513.72601	0.9
583.28247	1.0
670.48865	0.9
698.27509	1.2
709.38208	18.2
710.38464	3.6
761.51801	1.6
781.39819	6.1
782.41187	2.0
799.41571	17.5
800.41754	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	800.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.2
61.98827	100.0
62.98533	0.2
71.01391	0.3
71.54099	0.2
72.99329	0.2
73.32757	0.1
85.02969	0.1
88.98820	0.1
89.91525	0.1
96.96022	0.3
99.24672	0.1
101.02461	0.1
106.22311	0.1
125.02455	0.1
125.16638	0.1
209.11853	0.2
219.13953	0.1
220.50012	0.1
225.97153	0.1
352.61847	0.1
460.71881	0.1
571.46735	0.1
668.48889	0.1
722.62128	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	799.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11473	0.4
56.71580	0.4
57.03443	0.7
59.01380	3.8
65.00327	3.7
69.34578	2.9
71.01382	3.6
72.99319	0.5
73.02933	0.7
73.10370	0.4
73.80086	0.3
75.00877	3.0
83.01378	2.1
85.02949	5.0
85.39341	0.4
87.00874	1.5
89.02440	0.8
95.01405	0.5
99.00866	1.0
101.02425	0.7
107.01385	7.4
107.02079	0.8
111.00850	1.0
113.02451	2.7
115.00390	0.7
121.62756	0.4
125.02448	1.5
129.01910	0.9
148.01668	2.8
149.02449	0.7
151.00368	31.2
152.00705	0.8
161.02435	3.1
163.03960	0.6
164.72197	0.4
174.03223	0.5
175.00488	0.6
175.02522	0.7
188.01201	0.6
188.04675	0.5
190.02705	1.2
193.05008	0.6
199.04008	0.5
200.04657	0.6
202.02663	0.8
203.03481	1.0
204.04248	0.8
205.03424	0.7
211.03816	0.5
212.04639	0.5
214.02705	1.2
216.04266	1.0
223.04639	2.1
227.03432	1.2
228.04213	2.9
229.01456	0.5
230.02116	1.3
231.02728	0.7
232.03627	1.0
243.03050	0.9
244.03627	1.0
245.95763	0.4
254.85719	0.4
255.03011	0.6
256.03754	2.5
258.01675	0.5
269.04630	1.2
271.02493	1.5
272.03149	2.1
283.02420	1.4
299.02029	1.9
300.02725	56.3
301.03082	6.1
315.05087	100.0
316.05402	8.0
389.18246	0.9
436.62009	0.4
441.83859	0.5
483.13544	3.6
577.15973	0.6
585.55579	0.5
711.17236	1.3
799.19360	33.3
800.19763	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	799.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.3
59.01375	5.9
65.00328	2.0
69.51822	1.1
69.52233	1.7
71.01379	4.4
72.99309	0.9
73.02939	0.9
75.00854	2.9
81.64058	0.4
83.01388	1.4
85.02953	3.4
87.00867	1.5
89.02441	1.7
95.01386	2.5
98.19902	0.9
99.00867	1.4
101.02434	1.3
107.01388	5.0
113.02444	3.0
115.00373	0.6
119.03462	0.5
121.03068	0.5
123.00881	1.1
124.01656	1.7
125.02425	1.8
128.03528	0.6
137.02373	0.5
140.18805	0.4
148.01663	7.5
149.02429	1.4
150.03203	1.5
151.00360	22.1
151.89081	0.5
152.01175	2.4
163.04008	2.0
163.07658	1.1
164.01103	0.6
165.05571	1.1
165.09222	1.6
177.01898	1.0
179.05626	1.9
183.09613	0.5
188.04840	0.7
188.33641	0.5
190.02673	1.2
192.00764	0.5
193.05098	0.5
200.00972	0.5
200.04840	0.7
202.02678	0.5
205.04994	0.5
212.04774	0.6
214.02708	1.4
216.04205	1.8
227.03462	1.2
228.04060	0.6
231.02983	1.3
232.03749	2.1
243.02890	1.6
247.06056	1.9
255.02931	1.3
256.03757	4.0
258.01675	1.2
271.02505	1.4
272.03229	1.3
273.03909	0.6
282.01743	1.2
283.02368	2.0
284.03156	0.7
299.01837	1.4
300.02728	64.4
301.03107	5.1
315.05081	100.0
316.05408	8.4
320.09161	1.4
346.01895	0.5
354.10965	0.5
372.66681	0.5
387.16223	0.7
461.10715	0.9
483.13516	2.6
623.16278	2.2
799.19360	45.1
800.19635	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	798.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98521	0.1
78.95947	0.1
166.29924	0.1
213.31606	0.1
216.34702	0.1
223.13405	0.2
224.13782	0.1
264.80197	0.1
273.07236	0.1
277.21814	0.1
293.21347	0.1
294.21820	0.1
626.76453	0.1
638.32611	0.1
798.43286	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	798.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98540	0.2
71.01385	0.1
78.95896	0.1
83.05043	0.1
98.19860	0.1
110.14459	0.1
115.13499	0.1
145.03043	0.1
171.10251	0.1
197.11958	0.1
223.13406	0.2
224.13771	0.2
225.11404	0.1
253.09337	0.1
277.21722	0.3
280.61154	0.1
293.21362	0.2
294.21655	0.2
644.40784	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	797.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.8
61.98796	0.5
63.02405	0.3
65.00324	0.3
69.24518	0.2
70.25662	0.6
70.93970	0.2
71.01363	0.8
72.68800	0.2
73.02916	0.5
83.01393	0.2
85.02936	0.4
89.02419	0.4
96.96013	0.2
101.02437	1.2
102.52399	0.2
103.04011	0.4
107.01343	0.3
113.02457	0.3
117.03489	0.2
119.03493	0.2
123.41737	0.2
143.03563	0.2
143.71796	0.2
145.04959	0.3
151.00345	0.5
163.06091	1.7
196.05234	0.3
205.07193	1.5
239.03416	0.6
240.04242	0.9
267.02905	0.4
267.06534	0.4
268.03745	55.5
268.74298	0.2
269.04074	4.0
281.04587	0.6
283.06100	100.0
284.06442	7.3
325.07162	3.3
410.73312	0.2
429.11768	0.6
471.12860	1.7
472.13000	0.4
573.15973	0.3
737.22925	7.3
738.23206	1.3
753.35803	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.0
60.81643	0.4
60.99307	3.2
61.98819	1.4
70.95631	1.3
71.01368	2.2
72.99303	1.0
73.02941	0.7
80.02673	0.8
81.03433	0.7
83.05022	3.2
85.02946	0.6
88.98801	18.2
89.02438	1.9
95.05036	0.6
101.02462	1.0
113.02456	0.7
117.61240	0.5
135.08221	0.5
161.04575	0.7
163.11333	3.2
165.12839	1.8
171.10236	1.0
178.70074	0.5
183.13974	0.6
209.11806	100.0
210.12148	6.3
210.74042	0.5
227.12857	16.0
228.13206	0.7
235.08189	1.7
243.89072	0.6
247.13208	0.9
253.09198	5.0
266.77124	0.6
389.11664	0.5
445.20734	5.0
463.21823	0.7
608.00684	0.6
621.60864	0.6
637.32629	1.6
695.59436	0.6
802.15393	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4353
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
65.01300	12.2
70.90765	14.1
78.95879	17.7
104.56845	12.3
197.21545	16.2
209.11876	82.9
210.12285	14.0
253.09306	26.4
277.21851	65.0
279.19577	44.8
293.21109	33.6
342.67770	12.5
791.42651	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	795.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.7
58.00586	0.7
59.01377	16.5
59.16703	0.6
60.99277	0.7
61.98826	5.2
68.99808	1.4
71.01380	20.1
71.52607	0.9
72.63756	0.5
72.99282	2.6
73.02943	2.9
75.00477	0.7
75.00866	11.5
80.96519	0.7
83.01370	2.5
85.02452	1.1
85.02945	15.3
87.00871	3.0
88.98791	1.2
89.02441	9.0
95.01383	5.4
96.95975	0.6
99.00275	0.8
99.00873	12.2
101.02441	11.1
106.56371	0.6
113.01723	1.0
113.02445	13.6
115.00329	0.7
119.03471	2.9
129.01961	0.9
139.00407	1.3
157.01421	1.5
171.10237	0.6
174.34843	0.6
192.13226	0.6
215.16635	0.6
457.36646	1.0
623.01752	0.6
795.45288	100.0
796.45514	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	791.399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02707	5.9
59.01340	9.6
59.18471	6.0
61.98828	64.4
61.99588	6.2
69.03439	6.2
71.01369	20.3
71.52425	8.4
73.60128	6.7
78.95883	6.3
86.41518	5.7
116.92858	33.5
128.23476	7.1
171.10266	15.2
197.11682	14.5
209.11812	100.0
211.13304	10.6
225.11182	9.2
227.12761	26.6
253.09238	21.4
291.19608	24.3
309.20636	67.9
310.20932	10.5
393.07767	7.0
408.53549	6.7
445.20905	8.4
637.95837	7.2
791.39734	56.7
792.39636	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	8.5
63.03709	1.7
71.01369	9.5
71.52602	2.8
71.89189	1.7
73.02939	3.4
78.95897	3.3
78.98577	5.3
79.95728	17.6
80.96511	93.4
82.00996	1.8
85.02931	4.3
87.00868	3.6
94.98090	18.0
101.02374	2.5
106.98063	4.3
122.97531	5.2
125.02450	4.9
130.52873	1.7
134.97556	5.1
148.99098	7.6
152.98610	10.4
164.98596	17.3
183.13873	2.9
196.89523	4.1
213.01416	2.1
224.77507	1.9
225.00749	26.5
281.25034	2.0
335.19727	2.0
422.89658	2.0
449.77695	1.9
450.14554	2.0
509.17154	2.5
530.07263	1.8
661.65338	2.0
791.42450	100.0
792.42511	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
57.03443	0.4
59.01370	1.6
69.03474	0.6
69.45714	1.2
69.46137	1.1
71.01382	1.3
72.99310	1.5
73.02941	0.4
75.65499	0.3
83.01380	0.4
85.02959	1.7
93.03452	0.9
95.01379	1.2
96.96016	0.9
97.03050	0.4
99.00854	0.4
101.02461	0.3
103.71370	0.3
105.03504	0.3
108.02170	64.8
109.02972	17.6
110.03285	0.8
113.02452	1.2
117.03474	0.8
119.05051	0.7
121.02954	2.5
122.03757	2.2
123.00891	1.1
123.04558	1.8
125.02396	0.5
133.02946	4.3
134.03737	12.0
135.04556	5.5
137.02435	2.5
147.04405	0.4
149.02441	4.3
149.06085	1.8
150.03223	11.7
151.00325	0.4
151.04027	2.8
152.01146	100.0
153.01926	7.0
160.01645	1.4
161.02524	1.8
163.04027	2.9
164.04735	0.7
165.01907	0.5
165.05548	8.8
167.03514	0.7
167.07120	1.7
175.03972	1.6
177.01917	1.9
178.02707	4.1
179.03473	3.9
180.04263	1.2
181.05008	0.9
181.09932	0.3
193.05042	7.1
195.06615	0.9
208.33025	0.3
215.32101	0.3
221.06221	0.3
239.07127	0.3
241.07173	0.4
250.06238	0.4
267.04922	0.7
282.09018	0.9
285.06146	2.1
327.08719	0.4
341.10403	0.9
399.04068	0.7
399.09332	10.7
400.09644	1.1
417.10269	2.1
491.06110	0.3
536.80945	0.4
591.13416	0.8
592.14386	3.3
593.15131	2.2
771.21722	0.4
789.22418	62.3
790.22681	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	789.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.9
61.98821	11.5
71.01378	100.0
73.02943	4.7
83.01363	4.2
83.05025	7.4
85.02976	3.9
87.00879	4.2
89.02452	10.6
95.05022	2.3
96.95998	26.6
97.02960	4.7
97.06601	3.9
99.00794	3.5
101.02433	10.1
101.23302	2.9
105.96408	2.3
109.06578	8.6
111.08169	7.4
113.02442	5.7
116.92849	5.1
125.02364	2.8
125.09698	11.1
127.11259	4.7
135.08083	3.5
137.09683	2.5
161.04620	2.9
163.11285	13.3
165.12852	3.5
171.08813	5.3
171.10265	93.7
172.10645	4.3
181.12334	4.2
185.11774	6.9
197.11813	32.7
199.09793	13.9
201.11304	60.9
202.11693	3.0
207.10248	20.9
209.11804	87.2
209.13800	5.1
210.12260	4.1
211.13399	9.5
215.12935	3.1
225.11354	26.6
227.12871	8.6
235.08179	6.5
243.12329	2.7
245.19019	5.2
253.09212	35.7
261.08087	2.4
263.20016	3.0
285.69702	3.0
289.18115	20.4
291.19702	26.1
292.19879	3.4
307.19077	18.2
309.20795	53.4
310.20926	3.4
327.21713	5.5
461.20120	6.9
753.41699	4.7
789.42053	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	789.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.6
56.56544	0.7
57.03457	1.5
59.01379	14.8
61.98839	1.6
71.01373	8.2
71.53724	0.8
72.99313	1.8
73.02957	2.0
75.00879	2.2
83.01421	1.2
85.02953	4.4
85.58499	0.7
87.00867	1.5
89.02439	2.9
93.03462	1.3
95.01399	1.2
96.96022	1.6
98.22062	0.6
99.00869	1.4
101.02443	1.8
108.02169	54.9
109.02370	0.7
109.02978	11.9
112.93723	1.5
113.02451	3.5
121.02955	2.6
122.03723	2.6
123.00882	1.8
123.04512	3.1
125.02505	1.3
131.07162	1.7
133.02927	3.2
133.05035	5.0
134.03749	15.0
135.04568	3.6
137.02467	2.5
139.07646	1.0
147.04492	0.9
149.02463	3.3
149.06073	2.7
149.99513	0.8
150.03215	12.8
151.04041	3.9
152.01144	100.0
152.03578	3.0
153.01695	4.3
161.02458	1.1
163.04025	3.0
164.04640	1.0
165.05548	9.4
168.00691	1.0
177.01872	1.1
178.02692	4.9
179.03455	2.9
180.04213	1.0
181.04988	1.1
193.05019	8.6
195.06625	1.7
249.05975	3.9
282.08853	1.2
285.06088	1.7
341.10129	0.7
375.50858	0.7
383.11850	2.0
399.04214	0.9
399.09335	18.3
400.09641	1.7
417.10229	1.9
467.08923	0.8
592.14050	2.6
593.14893	1.2
756.21118	0.8
771.20612	1.6
789.22144	56.0
790.22437	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	789.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.7
69.56162	5.1
71.01375	7.6
71.05036	2.0
71.87766	0.9
72.71517	0.7
72.99303	2.7
73.02937	4.9
75.00869	30.1
81.03452	4.4
85.02940	2.1
87.00881	2.9
87.04507	1.6
89.02465	1.0
99.00871	3.4
99.04517	3.6
101.02449	1.0
107.01406	1.3
108.02172	1.4
109.02959	1.0
119.05019	30.4
124.46426	0.8
125.02439	1.4
130.90495	0.9
131.03438	1.0
143.03500	9.6
147.04622	1.2
151.00319	4.1
152.01126	2.8
161.04553	12.1
163.03999	52.1
164.04303	1.6
178.99783	1.8
179.05600	100.0
180.05916	2.8
193.05069	1.3
195.05051	0.8
203.78908	1.1
243.02936	3.8
255.02960	6.7
256.03278	1.0
271.02441	16.9
272.02954	1.9
300.02716	34.0
301.03406	16.4
325.09259	90.0
326.09576	5.8
399.16464	1.5
463.08801	37.3
464.09473	4.2
744.41467	1.1
776.00940	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.3
59.01378	13.3
60.99281	3.7
61.98536	3.1
61.98829	39.4
69.03449	1.9
71.01379	54.5
71.52615	2.6
71.53046	2.3
73.02931	2.6
76.26447	2.3
78.95896	7.9
81.03447	4.2
83.01379	2.1
83.05007	6.2
84.02149	1.8
84.04156	1.9
87.00843	5.3
88.98802	18.9
89.02418	7.3
92.97929	2.0
96.95969	2.5
97.02978	2.8
97.06536	3.0
99.00863	3.1
101.02433	10.6
109.06577	16.3
111.08160	6.0
113.02422	4.4
125.09746	3.5
128.28029	1.8
129.01921	1.7
143.03473	1.9
152.99532	2.2
161.04533	3.3
163.11293	14.7
165.12785	4.3
171.10249	30.4
177.12785	2.1
178.72610	2.0
179.10764	2.9
181.12260	5.9
185.11882	3.8
195.13899	6.8
197.11729	5.0
199.13306	3.4
201.11314	11.0
207.10284	40.2
208.10619	2.8
209.11813	100.0
210.12114	6.6
211.13373	5.7
223.13278	4.0
225.11310	31.2
226.11574	2.4
227.12918	10.8
235.08224	5.0
253.09274	19.5
275.20032	6.4
291.19662	37.2
291.22742	1.3
292.20062	4.5
293.21213	55.1
294.21545	6.1
309.20636	3.4
339.51111	1.9
363.17554	2.2
461.20261	9.9
543.63995	2.2
737.40967	9.7
755.42426	2.8
787.43921	8.4
788.44916	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	789.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.8
59.01366	3.2
61.22465	0.4
63.02364	0.5
65.00302	0.6
70.67981	0.4
71.01376	2.2
71.04998	0.7
71.78817	0.4
72.07910	0.4
72.99287	2.0
73.02946	2.1
75.00871	15.6
79.76869	0.4
81.03437	2.3
83.01364	0.5
84.02155	0.4
87.00869	1.5
92.07468	0.4
93.03458	0.6
94.19562	0.4
99.00842	1.6
99.04550	1.9
101.02408	0.7
107.01366	1.7
108.02151	1.4
109.02941	0.7
113.02377	0.4
119.05022	16.3
121.02926	1.4
125.02416	1.6
135.00766	0.5
135.49556	0.4
143.03455	3.7
145.02908	0.6
145.45540	0.4
148.01643	0.7
151.00360	6.7
152.01056	1.5
161.04555	7.3
161.91527	0.4
163.00343	1.0
163.03996	25.6
164.04401	0.5
169.16264	0.5
178.06261	0.7
178.99834	3.1
179.05598	52.2
180.05910	1.6
180.07512	0.4
187.04083	0.5
193.08684	6.2
195.14883	0.4
209.06602	0.6
211.03882	0.5
226.02687	1.2
227.03482	1.4
229.04932	0.6
243.02969	4.7
244.03487	0.5
245.04472	0.5
254.02132	1.5
255.02953	16.5
256.03366	0.5
265.97702	0.5
271.02451	32.8
272.02884	2.6
273.04126	0.8
283.02350	0.7
285.03983	1.0
285.12189	0.5
299.14072	0.4
300.02710	67.3
301.03445	28.1
302.03873	1.8
312.61276	0.4
316.02133	3.5
317.02982	0.8
325.09259	44.5
326.09601	3.3
385.11191	0.9
463.08786	100.0
464.09073	11.4
789.28796	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.4
57.03452	0.7
59.01375	4.6
61.98830	3.6
69.03453	0.7
69.45886	3.1
71.01383	8.0
73.02932	0.9
80.02673	1.0
81.03442	1.9
83.01386	0.9
83.05018	5.1
84.02174	0.7
85.02956	1.0
87.00867	1.9
89.02450	3.2
95.05019	1.1
96.96004	0.8
97.02945	1.9
97.06554	0.8
101.02424	3.5
102.23624	0.4
109.06568	1.3
111.08154	3.6
113.02454	2.4
119.03477	0.8
125.02400	0.4
125.06075	0.6
125.09717	1.8
131.03499	0.4
133.05067	0.5
135.08165	0.5
137.09682	0.9
145.05109	0.5
151.11255	0.5
153.12813	0.5
161.04536	1.4
163.11273	4.4
165.12831	3.7
169.12334	5.9
171.10249	5.8
181.12373	1.7
183.13890	0.9
185.11818	0.9
187.09746	0.7
191.10818	1.0
197.11818	16.1
198.12152	1.6
199.13405	1.3
201.11308	1.3
207.10219	1.4
209.11812	100.0
210.12152	6.0
211.13429	3.1
213.11240	0.6
215.12637	0.4
223.13428	0.6
225.11298	2.4
227.12868	11.6
228.13075	1.2
235.08205	4.1
247.16911	0.5
247.20821	0.9
249.14799	0.6
253.09279	13.2
263.20200	1.1
265.17810	0.6
289.18069	2.7
291.19659	15.7
292.19934	1.4
307.19064	1.7
309.20688	41.6
310.21078	3.7
392.84280	0.5
405.21216	0.5
426.97366	0.4
445.21158	2.6
490.77463	0.5
527.28064	0.7
545.29529	1.5
741.40753	0.7
759.26752	0.4
759.41614	0.7
769.39636	0.9
787.41327	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.3
57.03447	18.4
59.01376	5.5
60.01716	0.6
61.98849	0.5
67.01884	0.7
68.99814	1.6
71.01375	7.5
71.52824	0.9
72.99296	0.9
73.02943	2.6
75.00873	2.5
83.01379	9.9
84.02162	2.1
85.02949	100.0
86.03296	2.3
87.00878	1.0
89.02450	0.9
99.00880	0.7
99.04510	1.3
101.02428	5.9
110.07774	0.7
111.00883	32.6
112.01222	0.9
113.02449	1.2
117.03439	1.0
119.05027	0.8
123.23839	0.8
125.02428	3.3
129.01941	58.2
130.02255	1.0
134.03743	10.6
135.04486	1.0
137.02380	1.0
137.86420	0.7
149.06070	1.8
151.00360	2.2
152.01173	0.8
160.01639	1.0
161.04550	5.1
163.04065	0.8
173.00893	0.8
177.04010	0.9
178.02737	1.4
179.05644	1.0
187.02461	3.6
193.05032	10.3
194.05389	0.9
195.23442	0.6
205.03519	55.6
206.03848	1.4
209.06630	0.8
223.04579	32.5
224.04924	1.3
244.03336	0.7
271.02328	1.0
285.04138	1.3
301.03500	1.5
302.03720	0.7
314.04227	0.8
315.04956	1.0
316.01981	1.0
381.08459	1.4
385.10687	0.8
387.16714	1.2
399.09308	32.4
400.09610	2.9
474.14362	0.7
516.71759	0.7
624.16718	1.1
625.17035	2.9
782.30548	0.9
787.19983	2.8
788.20587	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18294	5.1
59.01363	6.5
61.47668	4.7
61.98826	100.0
71.01381	8.3
71.08286	12.3
78.95900	11.9
92.51875	5.9
130.73425	5.9
143.32851	6.4
182.34598	5.6
183.13814	5.6
209.11795	12.6
217.50989	5.4
223.13365	19.7
253.09248	6.5
291.19748	6.9
309.20673	14.4
356.58716	5.2
410.75867	6.0
571.68536	5.4
787.41187	22.5
788.41376	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	786.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.3
61.83330	0.1
61.98826	100.0
62.98533	0.1
63.85442	0.1
71.01390	0.2
78.95896	0.2
80.96514	0.3
98.76120	0.1
117.19201	0.1
125.02467	0.1
152.99654	0.2
188.17189	0.1
209.11949	0.3
210.12318	0.1
210.97252	0.1
211.13539	0.1
277.21793	0.4
338.09845	0.1
572.46539	0.1
663.46637	0.1
786.50409	0.1
787.39215	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
57.03444	16.0
59.01375	5.3
69.03452	0.8
69.52823	3.9
71.01370	2.1
72.99316	1.7
73.02946	1.4
75.00865	14.0
83.01390	2.7
84.02163	19.9
85.02943	18.0
86.03288	0.7
87.00874	0.7
93.95187	0.7
97.02943	3.2
99.04513	22.6
101.02429	5.4
103.03998	1.3
111.00864	5.7
113.02408	1.2
113.17400	0.8
119.05020	49.7
120.05340	2.2
125.02436	22.5
125.03185	0.4
129.01927	10.7
134.03796	3.5
135.15103	0.6
143.03459	1.0
145.02965	0.8
151.00366	0.9
161.04594	1.8
163.03999	100.0
164.04330	4.1
191.05605	5.5
193.05060	2.9
203.05559	1.1
205.03520	9.0
209.06639	51.5
210.07027	2.1
223.04590	6.6
228.04846	0.6
287.01962	0.9
301.03522	1.1
316.02194	2.0
329.08755	1.7
344.24353	0.7
355.10294	46.1
356.10449	4.2
399.09323	5.2
400.09375	1.0
409.69577	0.6
431.11932	6.9
576.95074	0.7
719.72156	0.7
731.23090	0.8
787.18829	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	786.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
61.18037	0.0
61.98826	100.0
62.98534	0.2
74.04076	0.0
141.43834	0.1
146.03304	0.1
148.60963	0.0
240.52602	0.0
268.03708	0.4
269.03998	0.4
270.04434	0.1
271.04749	0.1
283.06094	0.9
284.06445	0.6
285.06705	0.4
286.07059	0.1
407.44870	0.0
430.32217	0.1
461.32034	0.1
626.35162	0.1
726.23157	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	786.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.2
61.98828	100.0
62.98518	0.3
63.99245	0.1
69.15807	0.2
69.16209	1.0
71.01409	0.2
79.95728	0.2
80.96524	0.2
82.92080	0.1
85.02918	0.1
92.01258	0.1
96.96008	1.1
125.02448	0.2
136.75323	0.1
140.70499	0.1
171.10326	0.2
171.21059	0.1
199.06126	0.1
209.11894	0.2
225.11220	0.1
484.07895	0.1
786.37939	0.3
792.81775	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	786.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98826	100.0
62.98523	0.2
70.35325	0.4
71.01397	0.3
78.95906	0.9
80.96487	0.3
84.86132	0.1
85.02427	0.1
85.02949	0.1
125.09721	0.2
152.99635	0.4
171.10312	0.4
197.11827	0.2
201.90326	0.1
209.11923	0.4
211.13420	0.2
277.21756	0.5
278.22079	0.2
279.23209	0.2
289.18335	0.1
291.19968	0.2
301.88010	0.1
329.23181	0.2
335.85150	0.1
341.86069	0.1
434.94189	0.2
786.49390	0.5
787.39307	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.1
61.98827	100.0
62.98535	0.2
62.99243	0.1
70.53342	0.2
70.53709	0.1
71.01385	0.2
79.95718	0.1
80.96512	1.0
85.02980	0.1
94.98087	0.2
98.19946	0.1
130.71718	0.1
131.62770	0.1
142.92119	0.1
164.98601	0.2
197.11897	0.1
204.35966	0.1
209.11751	0.6
210.12169	0.3
225.00772	0.3
225.11198	0.1
226.11647	0.1
228.32813	0.1
277.21671	0.7
278.22058	0.5
394.06470	0.1
491.05942	0.1
513.93616	0.1
645.37122	0.1
784.42151	1.1
785.40173	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2143
Annotation	Isorhamnetin 3-(4Rha-galactosylrobinobioside)
Peak:m/z	Relative Intensity
57.03428	0.7
59.01373	7.1
63.02397	1.1
65.00315	1.1
70.53951	1.4
71.01364	2.6
73.02960	1.1
74.20161	0.6
75.00867	2.4
83.01367	2.0
85.02904	1.5
87.00819	0.7
101.02440	1.9
107.01372	3.7
108.02164	2.4
109.02955	1.9
113.02442	0.8
121.02903	0.7
125.02472	0.8
133.02963	0.9
134.03734	1.3
138.09750	0.7
145.02979	0.8
149.02419	0.7
150.03242	0.8
151.00374	13.0
152.01137	3.8
155.05025	1.1
159.04498	1.0
163.03995	1.4
165.05602	1.3
171.04474	1.3
175.02431	0.8
177.01813	0.8
178.99902	2.0
182.61227	0.7
183.04546	3.2
185.02440	0.9
187.03886	1.6
193.04910	1.2
195.06593	0.7
199.04028	7.8
201.01921	0.9
203.03421	1.2
209.06683	3.3
213.01706	0.7
215.03525	3.5
216.04021	0.7
226.02731	0.7
227.03511	7.9
228.03877	0.8
242.02211	5.9
243.02963	37.5
244.03282	3.1
255.02983	14.7
256.03427	2.0
257.04507	6.2
270.01654	6.1
271.02460	49.2
272.03009	4.9
284.03265	8.8
285.03912	15.3
286.04285	7.3
287.05386	2.1
298.01047	0.8
299.02005	82.0
299.05490	9.1
300.02582	23.0
300.05954	7.0
301.03088	2.8
301.06335	5.0
313.03574	3.2
314.04300	75.1
315.05029	36.5
316.05359	1.7
320.09229	0.8
339.05121	1.0
355.10483	0.9
357.06094	0.7
417.10284	3.9
477.38864	0.8
623.16064	1.8
785.21338	100.0
786.21680	20.1
794.12341	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34651	0.8
59.01374	6.4
61.98830	11.0
71.01376	3.4
71.53056	1.2
73.02937	1.6
80.96546	2.1
83.05032	2.0
87.00870	1.1
87.87025	0.8
89.02476	1.3
101.02435	3.2
113.02474	1.3
119.03545	1.2
161.04605	1.4
163.11282	1.5
165.12761	1.3
199.13394	3.8
209.11815	68.5
210.12164	3.8
212.78871	1.0
212.92607	0.9
227.12877	17.0
228.13190	1.3
235.08232	4.8
244.00160	0.9
253.09193	9.5
277.21704	100.0
278.21997	7.0
283.06210	1.4
293.21231	1.9
293.90707	0.9
325.97876	0.9
445.20605	1.7
513.30859	1.3
523.65796	1.1
783.43610	1.6
784.45642	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21991	0.2
59.01379	0.3
61.98830	100.0
71.01395	0.4
71.53729	0.2
73.02960	0.2
78.95933	0.2
89.23521	0.3
96.96006	0.6
101.02504	0.3
117.47449	0.2
196.29927	0.2
209.11867	0.5
211.13416	0.3
256.53394	0.2
280.35724	0.2
283.06107	0.3
284.06525	0.2
519.50488	0.2
785.40009	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.1
61.98827	100.0
62.98535	0.2
62.99243	0.1
70.53342	0.2
70.53709	0.1
71.01385	0.2
79.95718	0.1
80.96512	1.0
85.02980	0.1
94.98087	0.2
98.19946	0.1
130.71718	0.1
131.62770	0.1
142.92119	0.1
164.98601	0.2
197.11897	0.1
204.35966	0.1
209.11751	0.6
210.12169	0.3
225.00772	0.3
225.11198	0.1
226.11647	0.1
228.32813	0.1
277.21671	0.7
278.22058	0.5
394.06470	0.1
491.05942	0.1
513.93616	0.1
645.37122	0.1
784.42151	1.1
785.40173	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4405
Annotation	lugdunin
Peak:m/z	Relative Intensity
57.87967	0.4
59.01381	0.9
63.96232	1.2
69.03458	0.7
71.01379	8.9
72.99271	0.6
73.02942	2.0
78.95914	0.8
78.98589	7.7
79.95734	14.1
80.96513	86.3
81.03457	1.1
81.96468	0.5
82.96085	0.6
85.02943	3.0
87.00875	4.1
94.98083	19.1
96.96014	1.8
97.02952	2.1
99.00838	0.7
99.92602	0.6
100.41085	0.5
101.02438	3.1
106.98093	3.3
113.02428	0.4
122.97575	4.4
125.02447	3.6
127.04021	1.6
134.97583	6.3
136.99121	1.5
146.97624	0.7
148.99146	7.9
152.98622	7.8
152.99754	0.8
158.81488	0.5
161.24579	0.4
164.98619	15.7
171.10291	0.4
188.98627	0.6
206.99655	3.3
211.13388	1.8
211.94020	0.4
225.00726	24.9
226.01100	1.0
231.13928	0.5
255.23305	1.8
283.04889	0.7
307.03342	0.4
413.08975	0.5
493.16949	0.6
525.19763	3.1
526.20557	0.5
531.68378	0.4
537.27533	1.6
763.39404	0.7
781.44043	100.0
782.44434	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	0.1
59.05141	0.1
61.98828	100.0
62.98535	0.1
69.92526	0.4
71.01387	0.1
78.31973	0.1
78.95918	0.4
78.98617	0.2
79.95743	0.4
80.96513	1.6
85.02931	0.1
88.51855	0.1
94.98106	0.4
112.98521	0.1
127.07867	0.1
134.97627	0.2
145.75154	0.1
148.99101	0.1
152.99628	0.1
164.98622	0.3
223.13448	0.3
224.13788	0.1
225.00803	0.4
227.13063	0.1
255.23354	0.1
256.23987	0.1
258.71664	0.1
277.21762	0.1
278.22205	0.2
350.88449	0.1
354.45593	0.1
764.39764	0.1
765.40741	0.1
782.40771	2.4
783.41156	1.0
804.36609	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	783.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73556	0.3
59.01376	2.1
63.02422	0.3
69.68169	0.5
69.68577	1.3
72.99303	0.6
73.02940	0.4
75.00855	1.8
83.01414	0.6
85.02946	2.3
99.00872	1.0
101.02435	0.5
107.01421	0.6
113.02448	1.6
133.02914	0.5
134.03748	0.4
136.06543	0.3
151.00372	1.0
175.02432	0.4
194.74477	0.4
200.04814	0.5
200.36958	0.3
211.03967	0.6
227.03424	0.9
255.02888	0.6
256.03772	2.6
283.02594	0.8
283.96872	0.4
284.03244	84.2
285.03665	8.4
299.05585	100.0
300.05927	8.4
483.13412	2.8
488.01129	0.3
584.54462	0.4
612.77271	0.4
631.61584	0.3
765.18951	0.6
783.19836	23.2
784.20154	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.4
59.01381	2.5
59.79973	0.3
61.15924	0.2
63.02406	0.6
65.00340	0.3
68.99848	0.3
70.51669	0.9
71.92822	0.3
72.99311	0.6
73.02939	0.7
75.00864	2.7
77.74512	0.3
83.01389	0.5
85.02949	2.5
85.94950	0.2
89.02439	0.6
95.01378	0.5
98.19941	0.4
99.00877	1.0
107.01357	0.6
113.02454	1.9
115.00363	0.3
118.26921	0.3
133.02942	0.4
134.03711	0.5
142.95448	0.3
149.99582	0.3
151.00372	1.3
175.02415	0.4
187.03889	0.3
211.04039	0.4
227.03453	0.7
255.02855	0.6
256.03726	2.6
274.49014	0.3
283.02325	0.5
284.03238	100.0
285.03571	8.9
299.05585	72.7
300.05927	5.9
467.68890	0.3
483.13412	2.3
515.17255	0.4
757.05890	0.3
783.19830	32.6
784.20264	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	781.438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.4
61.98832	5.8
63.87470	0.7
68.90411	0.8
68.99577	1.8
71.01393	4.3
71.09488	1.6
73.02953	0.8
78.95916	0.8
78.98566	0.8
79.95721	3.0
80.96513	12.2
85.02938	1.7
89.02422	1.4
94.98096	3.6
97.02943	3.1
99.00880	5.6
101.02444	2.4
106.98046	0.9
112.98557	1.4
113.02441	1.1
125.02446	2.0
125.09720	1.8
132.09048	0.8
134.97617	0.9
142.02667	1.0
148.99133	1.0
152.98549	1.1
163.11282	4.5
164.98599	2.6
181.12347	7.9
207.10233	22.9
213.90173	0.7
225.00723	4.6
225.11305	53.2
226.11656	3.1
235.08281	3.4
243.12300	5.3
253.09184	3.0
277.21704	100.0
278.22098	9.0
290.64453	0.8
443.19135	5.6
461.20419	7.4
577.37482	1.1
647.25781	0.8
721.41669	23.3
722.42206	5.3
781.40472	17.2
782.40741	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	781.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	15.7
61.98847	4.1
66.30995	0.9
67.02234	0.8
69.03446	1.0
71.01377	4.9
73.02926	1.1
78.98602	1.5
79.93159	0.8
79.95736	1.6
80.96524	8.0
85.02937	1.6
87.00897	1.7
89.02441	2.0
94.98082	2.0
97.02951	6.4
99.00874	9.8
101.02465	4.0
108.83540	0.9
109.06570	1.0
110.03723	1.4
112.84158	0.8
113.02448	1.6
125.09692	2.7
135.08246	0.9
136.05283	1.5
142.02704	3.1
148.99106	1.0
152.68230	0.8
152.98564	1.1
161.09598	1.0
163.11292	7.9
164.98572	1.9
179.01643	1.1
181.12318	18.1
186.80220	0.9
199.13322	1.0
207.10249	46.1
208.10542	2.6
225.00725	2.6
225.11305	100.0
226.11595	5.8
235.08134	1.0
243.12387	10.1
253.09230	2.8
277.21695	86.9
278.22064	7.7
293.21277	0.9
293.76459	0.8
299.15164	1.2
328.96704	1.1
374.94452	0.9
443.19131	5.7
461.20224	41.8
462.20474	1.8
514.31287	0.9
555.54797	0.9
721.41602	30.8
722.42090	5.7
781.40405	11.2
782.41449	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	781.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21933	0.3
59.01375	0.7
60.99303	17.3
61.98827	8.2
71.01366	0.8
71.53739	0.4
72.99314	0.4
75.00877	0.4
80.96503	0.3
82.19753	0.3
85.02948	0.4
87.00884	1.0
88.00401	2.9
88.98800	100.0
89.02441	8.4
89.99142	0.7
101.02477	0.5
115.07365	0.3
120.79424	0.3
126.03570	0.3
162.97176	0.3
171.10353	0.4
196.27473	0.3
209.11824	3.6
211.13358	4.2
227.12949	0.6
235.08141	0.3
250.06149	0.3
293.21213	1.5
298.29083	0.3
323.22235	0.6
369.32004	0.3
397.13538	0.6
415.14542	0.8
447.22879	0.3
471.40222	0.4
781.35754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	7.6
63.96224	1.6
69.03490	1.0
69.68824	4.0
69.69231	2.1
71.01380	10.9
72.99305	1.1
73.02946	1.8
78.95889	3.7
78.98586	8.2
79.95734	17.6
80.96511	88.5
85.02931	2.9
87.00872	2.7
94.98090	19.3
96.96929	1.3
97.02991	1.4
99.00871	1.8
101.02454	2.5
106.98068	4.7
121.41239	1.0
122.97569	4.3
125.02437	4.0
134.97572	5.1
136.99146	2.0
148.99127	8.1
152.98631	7.6
164.98627	15.4
173.19460	1.2
206.99628	3.4
225.00717	28.4
225.11377	1.3
255.23203	4.9
287.16580	1.3
379.80600	1.2
417.31937	1.0
480.33176	1.1
525.16711	1.3
537.27246	1.2
737.37189	1.8
763.39142	15.6
764.39972	3.6
781.40405	100.0
782.40698	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	781.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	7.5
60.99294	2.3
61.98833	9.4
71.01388	4.3
83.05019	5.1
84.02168	2.4
85.02975	1.1
88.92067	1.1
88.98798	8.7
89.02450	4.2
96.88658	1.1
101.02450	2.8
113.02454	2.2
119.03465	1.6
151.49593	1.2
161.04562	1.3
163.11281	4.4
165.12849	1.6
181.22081	1.2
182.85625	1.2
183.13878	4.0
193.12286	2.0
195.51088	1.1
209.11821	100.0
210.12143	4.8
211.13393	96.9
212.13753	6.0
227.12900	13.0
235.08194	4.9
253.09349	8.6
286.08453	1.2
323.22293	3.8
397.13379	3.3
429.21063	2.7
445.20636	6.8
447.22305	8.6
449.16196	1.4
479.17087	1.9
621.32196	2.2
626.06116	1.4
639.33722	7.1
640.34406	1.3
657.34894	1.3
776.04810	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98525	0.1
64.13260	0.1
64.45732	0.1
70.34748	0.2
88.64909	0.1
167.39497	0.1
239.42233	0.1
344.09167	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	779.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
58.00588	0.6
59.01377	85.4
60.01706	0.7
60.04291	0.5
61.98832	0.7
65.00326	0.7
69.03452	0.8
69.35844	1.7
69.36243	1.3
70.08170	0.4
71.01380	19.6
72.99318	1.0
73.02941	20.8
75.00869	0.5
75.57906	0.5
83.01377	6.8
85.02943	3.4
87.00890	0.6
89.02443	7.7
94.56358	0.4
95.01379	1.2
97.02988	0.8
99.04510	0.5
101.02438	25.4
107.01393	1.1
113.02451	10.1
117.03507	1.3
119.03501	4.4
122.03758	0.4
125.02406	1.0
131.03481	2.9
140.15843	0.5
143.03476	2.4
147.02994	0.4
149.02467	1.3
149.04552	6.6
150.03143	0.7
151.00383	1.3
152.03542	1.1
155.03534	1.0
160.04012	1.0
161.04544	9.8
165.05550	1.1
166.02667	0.8
172.48433	0.4
179.05605	1.3
181.05060	2.8
182.05411	0.8
185.06161	0.4
195.06648	1.1
200.04909	0.5
203.05623	1.4
211.03934	0.7
219.82225	0.4
221.06683	3.6
239.03560	1.6
240.04291	3.3
261.13443	1.1
267.02975	1.2
267.07120	0.4
268.03738	77.9
269.04459	29.7
270.04941	2.0
281.04407	0.5
283.06107	0.5
303.14517	1.5
311.05542	0.7
349.18646	0.9
418.72110	0.4
431.09787	100.0
432.10141	10.4
692.88538	0.5
735.34027	0.6
779.28638	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
59.01376	20.8
61.98826	11.9
69.03445	2.0
70.26803	1.4
71.01377	3.7
73.02958	0.4
78.95908	2.1
78.98582	0.6
79.95718	1.1
80.96516	5.8
83.01359	0.5
83.05000	0.6
85.02937	1.3
85.06587	0.6
87.00870	0.8
89.02444	2.6
91.29015	0.4
94.98078	1.3
95.01395	0.5
98.89824	0.4
101.02433	3.1
109.06583	0.8
113.02454	1.9
116.92843	1.5
119.03468	0.8
123.08141	0.4
125.02451	0.5
134.97592	0.5
135.11801	0.4
143.03461	0.5
145.05029	0.5
149.09744	0.7
161.04535	1.6
164.98592	0.9
167.10759	3.0
177.12878	0.8
179.05638	1.0
179.10748	1.7
179.14331	2.9
195.13889	10.1
196.14198	0.5
205.12303	9.6
206.12682	0.5
207.10228	0.8
213.91414	0.5
223.13373	100.0
224.13727	6.5
225.00636	1.4
225.11324	0.8
235.08199	2.5
241.01123	0.8
253.09250	8.1
255.23296	1.4
265.14554	0.5
277.21698	76.2
278.22040	6.7
441.21225	2.7
459.22314	16.9
460.22693	1.8
482.70438	0.5
513.30878	0.9
719.43744	2.8
779.39081	7.6
780.39368	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72562	8.3
61.36082	8.0
61.98833	100.0
71.14982	11.0
71.15305	12.8
85.38774	8.2
122.28210	9.4
131.22377	9.7
157.66762	8.8
193.51965	8.8
211.13347	13.9
794.66919	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	773.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
57.02413	0.4
57.03440	1.0
58.00596	0.6
59.01380	5.7
61.98821	2.7
68.67253	0.4
69.03458	0.7
71.01382	5.0
71.53423	0.6
73.02952	1.3
77.49498	0.5
80.02677	0.9
81.03458	0.9
83.01395	1.0
83.05029	4.6
84.02157	1.3
85.02954	4.9
87.00871	1.0
88.98793	0.5
89.02448	3.2
95.05025	1.1
96.96008	3.5
96.98950	0.4
97.02940	1.4
97.06589	1.9
101.02451	4.1
109.06593	0.7
113.02465	2.2
113.09777	0.4
116.92888	0.5
119.03484	1.2
125.02370	0.5
125.09725	1.2
127.11301	1.0
131.38416	0.4
135.08174	0.5
137.09714	1.8
145.05057	0.6
155.10754	0.7
161.04539	1.8
163.11256	3.4
165.12839	3.1
171.10272	15.2
172.10617	0.6
177.12935	0.6
179.05525	0.6
181.12360	0.7
183.13867	1.8
185.11789	0.9
191.10768	1.1
199.13388	0.7
201.11307	0.8
207.10281	1.1
209.11812	100.0
210.12181	6.1
211.13377	9.1
212.13644	0.8
221.11838	1.6
225.11246	0.8
227.12871	12.0
228.13148	1.1
229.14429	6.9
230.14752	0.7
235.08212	8.9
239.12808	1.1
253.09270	20.9
254.09554	0.8
291.19604	4.1
309.20667	8.8
310.21100	0.6
327.21738	58.7
328.22079	5.8
445.20636	2.2
519.33057	1.2
545.29352	0.9
563.30640	3.4
564.31384	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	0.7
59.01376	33.1
59.22228	0.2
60.01704	0.3
70.75518	0.2
70.90071	0.6
71.01375	7.5
72.99302	0.9
73.02940	0.3
75.00866	1.3
83.01377	0.5
84.02159	0.3
85.02946	2.6
87.00874	0.4
89.02440	7.1
95.01402	1.0
97.09750	0.2
101.02438	5.8
107.04993	0.3
113.02431	2.6
119.03474	2.3
119.05016	0.3
124.52203	0.3
134.03735	0.7
137.02481	0.4
143.03485	0.3
147.08150	0.7
161.04544	0.4
163.03915	0.3
163.11272	26.8
164.11642	1.6
179.05589	4.5
179.07036	0.4
193.05063	0.8
194.05453	0.3
205.03563	0.5
207.10219	0.6
209.11809	0.5
223.04599	0.9
225.11392	0.3
325.09229	0.3
326.20770	0.3
369.15344	0.4
386.11746	0.3
387.16562	100.0
388.16876	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	773.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.7
59.01376	8.8
68.99805	0.6
69.03439	0.6
69.43989	2.5
69.44405	1.0
71.01374	8.8
72.99306	2.0
73.02964	0.7
75.00871	17.8
79.23079	0.4
83.01383	1.8
84.02158	1.3
85.02948	19.0
87.00881	5.9
89.02447	2.0
97.02940	0.5
99.00883	3.4
99.04509	1.2
101.02435	2.9
102.14446	0.5
111.00884	5.2
113.02393	0.7
117.03493	0.8
119.05024	21.9
120.05353	1.5
121.02958	0.9
125.02460	2.3
129.01938	13.9
130.02203	0.6
133.06573	0.8
134.03723	2.0
135.04559	0.6
135.92654	0.6
137.06059	1.0
141.01935	1.1
145.02931	4.5
147.03061	0.6
151.00397	1.0
151.03993	0.9
159.02983	4.3
161.04709	0.6
161.06096	1.6
163.04007	27.8
164.04317	1.6
177.04039	33.7
178.04408	1.6
193.05019	2.6
195.05095	41.7
196.05376	1.8
205.03474	6.0
205.05116	0.9
223.04559	12.7
223.06769	0.6
265.06943	0.6
271.05975	0.8
285.03915	1.0
286.04236	0.6
308.88297	0.5
323.07724	1.5
341.08731	100.0
342.09070	7.3
369.08270	3.2
371.09589	0.6
372.13403	0.5
385.11343	1.4
387.16586	1.9
399.09409	0.7
431.11963	1.0
495.81403	0.6
515.16266	0.6
773.20416	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	773.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33305	0.4
55.01883	0.5
58.00579	0.5
59.01379	38.0
60.01703	0.5
62.93922	0.4
69.81177	2.0
71.01376	9.0
72.99301	0.8
73.02940	1.3
75.00883	1.0
83.01372	1.3
84.02171	2.2
85.02937	3.6
87.00897	1.1
89.02444	8.8
90.98237	0.4
95.01386	0.6
99.00909	0.7
99.04511	0.8
101.02450	7.1
107.05008	1.3
108.04568	0.7
113.02431	3.9
117.03448	0.8
119.03502	2.7
119.05013	1.8
129.01941	0.5
134.03737	10.8
135.04294	0.5
137.02425	0.5
137.06078	3.8
138.01942	0.7
140.07166	8.3
144.04520	1.4
146.06155	0.8
147.13666	0.4
149.06071	0.9
151.00400	0.4
161.04604	0.6
163.11296	4.5
164.04788	0.9
179.07278	0.4
180.88832	0.4
190.05051	2.3
191.05630	0.8
193.05040	12.2
194.05360	1.0
199.94171	0.5
207.10228	7.9
208.03740	0.9
209.06618	3.5
223.06126	1.0
224.06448	1.0
225.11397	0.5
249.08813	0.6
277.17410	0.4
285.03976	1.5
286.04358	1.4
287.04620	1.1
369.15750	0.6
385.11322	6.3
386.11649	1.2
387.16574	100.0
388.16974	9.3
461.93701	0.5
492.25134	0.5
651.46344	0.5
773.19202	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	773.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40297	3.6
59.01365	8.7
61.98833	21.4
67.53478	4.0
69.77010	8.2
69.77408	7.9
71.01362	7.4
83.05028	4.4
89.02422	4.2
96.96019	8.9
101.02399	4.5
124.01636	3.6
149.46718	3.2
165.12807	12.4
166.13200	4.3
183.13896	70.0
184.14230	6.9
209.09915	5.7
209.11807	89.6
210.12144	6.9
227.12871	100.0
228.13177	11.5
235.08185	4.7
244.24770	3.5
253.09227	4.5
270.15619	3.3
275.10895	3.4
291.37448	3.6
327.21649	8.2
370.67502	3.9
388.04092	3.9
438.78656	4.1
445.20596	11.2
605.50745	4.3
637.32245	6.0
673.35242	4.7
773.37274	39.1
774.38318	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	771.417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82137	1.7
57.03441	3.9
59.01373	24.2
60.78290	1.8
61.98832	10.5
69.03452	4.9
71.01382	52.6
71.05007	2.3
73.02950	5.3
73.58716	1.7
75.00867	2.0
78.95888	3.7
79.95745	3.3
81.03465	5.7
83.01398	2.0
83.05012	8.8
84.02176	2.1
85.02974	8.1
87.00874	9.0
89.02438	8.5
95.05013	5.2
96.96009	60.1
96.96956	2.3
97.02974	9.7
97.06573	5.7
99.00864	3.9
101.02437	14.1
109.06587	13.9
111.00851	2.1
111.08154	6.1
113.02448	7.1
119.03575	2.6
123.04493	2.7
123.08084	1.9
125.02407	4.6
125.09707	10.6
127.11295	5.8
135.08142	2.6
137.09697	3.9
143.03467	2.6
145.05014	1.6
149.09682	2.2
153.09221	2.1
155.10767	2.9
161.04602	3.6
161.09648	1.8
163.11284	18.2
165.09157	2.4
165.12878	8.1
167.10712	1.8
171.10260	88.5
172.10587	3.6
179.10750	2.5
181.12346	7.9
183.13873	2.6
185.11845	8.4
189.09174	3.1
197.11838	20.3
198.12190	1.9
199.09663	2.6
199.28174	1.7
201.11311	36.3
207.10266	40.4
208.10516	2.5
209.11813	100.0
210.12164	4.9
211.13409	16.5
215.12888	5.6
225.11304	59.4
226.11609	3.0
227.12843	14.6
235.08240	11.2
243.12398	4.6
245.19113	5.3
247.20586	3.0
253.09286	35.1
254.09691	2.8
263.20142	4.2
285.04022	3.7
289.18127	16.6
291.19662	53.6
292.19986	5.3
293.21167	5.8
295.10480	2.2
307.19244	13.7
308.19305	2.1
309.20697	84.6
310.21051	9.0
341.23224	3.9
443.19058	3.2
461.20261	10.9
479.21475	2.6
753.40314	6.2
771.41357	13.2
772.42743	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59000	1.2
54.82486	1.2
59.01381	6.8
61.98829	7.8
69.48554	8.7
69.74651	1.2
71.01382	9.6
72.12545	1.4
78.95892	4.1
81.03461	2.0
83.05006	4.7
87.00877	1.7
89.02441	2.8
94.98085	1.3
96.95960	1.5
101.02417	5.0
105.41974	1.3
109.06618	3.0
113.02464	2.3
119.03477	1.5
125.09723	1.2
147.23376	1.4
151.03860	1.3
152.99590	3.5
161.04510	1.7
163.11385	3.0
165.12790	3.7
169.12286	1.4
171.10213	8.1
181.12334	1.9
183.13876	4.2
189.26216	1.5
195.13907	7.9
197.11852	3.5
201.11226	2.0
207.10283	3.6
209.11824	100.0
210.12152	5.8
211.13411	5.6
223.13374	4.0
225.11205	4.1
227.12881	13.1
235.08127	4.5
253.09280	21.8
275.20099	8.3
276.20520	1.5
289.17975	2.5
291.19528	5.0
293.21213	83.9
294.21634	7.5
307.18954	2.8
309.20645	4.1
310.96484	1.4
327.21732	3.0
333.07980	1.3
445.20981	2.4
463.20978	1.7
771.41217	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	771.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.2
57.03445	18.9
59.01381	6.6
61.00261	0.8
67.01874	1.6
68.99854	0.9
71.01375	13.0
71.52588	1.3
72.99302	2.1
73.02947	3.1
74.02473	7.1
75.00863	11.7
83.01382	11.0
83.84414	0.9
84.02172	1.7
85.02944	100.0
85.63212	0.8
86.03281	4.3
87.00864	2.3
89.02461	1.7
89.03956	1.7
98.02473	1.4
99.00842	4.6
101.02457	7.2
109.02988	1.2
111.00875	30.4
112.01243	1.1
116.03532	3.9
117.03461	3.9
119.05009	2.6
125.02432	7.1
129.01941	61.7
130.02264	2.4
132.04506	1.8
133.03020	1.0
134.03743	52.0
135.04063	2.0
137.02524	1.6
141.02008	1.0
149.06049	5.3
151.00368	3.8
159.02986	4.5
161.04541	4.7
163.04013	3.2
175.03995	1.5
177.01863	1.5
177.02629	1.1
177.04025	9.8
178.02711	4.5
178.99767	1.3
187.02473	3.3
191.01982	1.0
193.05035	54.4
194.05400	3.4
195.05107	28.2
196.05342	1.0
205.03517	51.8
206.03879	4.2
207.04013	1.7
209.03059	1.3
223.04568	35.5
224.04930	3.0
225.04910	1.5
227.03648	1.2
246.47845	0.9
255.02911	1.0
259.06033	1.0
261.08777	8.1
271.02460	14.3
276.53339	1.0
285.03879	6.9
286.04251	2.3
286.73788	1.1
287.05313	1.6
299.01904	21.1
300.02682	8.2
301.03503	9.2
302.03879	1.0
303.05081	7.9
341.08701	1.6
371.09787	68.8
372.10110	7.1
399.09290	28.9
400.09564	4.2
462.07858	2.6
463.08572	1.3
465.10504	2.6
481.18988	2.0
609.14789	7.9
668.27252	1.1
771.19763	17.0
772.20355	3.7
799.02759	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.1
57.03443	4.6
58.00584	1.1
59.01376	45.1
61.98827	97.6
69.03462	2.0
71.01380	35.6
71.53947	0.8
72.01733	0.8
72.99311	2.5
73.02936	7.5
75.00882	1.3
81.03472	1.4
83.01392	6.2
84.02164	0.8
85.02948	16.5
86.03349	0.7
86.24406	0.5
87.00874	4.3
87.04508	0.7
88.98829	1.3
89.02441	10.2
89.02949	0.9
95.01383	4.5
97.02957	2.7
99.00889	4.8
101.02438	25.2
108.02160	1.4
111.00868	4.5
112.01682	1.2
113.02442	17.6
116.92881	0.7
119.03506	2.6
123.08144	1.0
123.16973	0.7
124.01676	1.5
125.02443	5.8
126.33798	0.6
129.01978	0.9
131.03528	0.8
135.04523	0.7
140.20363	0.6
141.09308	0.7
141.12857	1.0
143.03513	2.3
149.04544	1.5
151.00404	0.7
152.07056	0.5
159.03024	1.3
161.04535	2.4
169.12434	0.8
171.13916	2.1
187.13397	1.3
193.05115	0.7
201.14941	0.9
223.16339	0.6
240.04152	0.7
267.07120	0.5
268.03726	14.1
269.04099	9.8
270.04291	6.1
283.06100	28.1
284.06424	19.6
285.06683	13.7
286.06766	1.1
315.25571	1.2
359.16995	0.7
359.28021	2.4
361.29553	13.6
362.29813	1.6
417.36548	0.6
463.09830	0.8
503.32159	0.8
505.33798	5.6
506.34006	1.2
523.34845	10.1
524.35077	2.1
536.11523	0.6
554.57648	0.6
579.16443	0.7
631.37140	0.7
665.38184	0.7
667.39038	100.0
668.39386	19.8
685.40039	42.9
686.40381	8.7
709.19818	0.8
711.20459	4.0
712.21588	0.9
727.41248	39.2
728.41736	8.3
771.21155	0.8
771.37598	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.4
61.98826	100.0
62.98532	0.3
63.99258	0.6
67.62273	0.1
69.36373	0.2
69.36799	0.4
71.01376	0.2
74.14735	0.1
79.95729	0.1
80.96531	0.1
81.01393	0.1
89.02406	0.1
96.96010	0.5
98.19920	0.1
100.17195	0.1
101.02449	0.1
113.02486	0.1
121.03041	0.1
155.85483	0.1
197.11845	0.1
203.71960	0.1
209.11888	0.1
225.00803	0.1
285.04272	0.1
286.04446	0.1
309.20660	0.1
310.21118	0.2
311.21423	0.1
417.14969	0.1
421.21072	0.1
507.31131	0.1
650.34888	0.1
697.26166	0.1
739.60156	0.1
771.34625	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	770.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.6
61.98828	100.0
62.98531	0.2
63.99258	0.1
71.01382	0.3
71.54169	0.1
75.35484	0.1
78.95902	0.1
79.95758	0.1
80.96537	0.2
85.02979	0.2
89.02436	0.2
94.23660	0.1
96.96008	1.0
100.07427	0.1
101.02487	0.1
113.02441	0.1
119.04955	0.1
132.70384	0.1
145.02975	0.4
150.49217	0.1
151.07681	0.1
152.01256	0.1
163.07614	0.1
209.11890	0.1
285.03934	0.2
309.20630	0.2
310.20914	0.2
311.21323	0.2
389.23343	0.2
417.14978	0.1
431.23999	0.2
504.98358	0.1
737.38623	0.1
770.34131	0.2
771.33569	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
67.62485	0.4
69.67712	1.8
69.68133	0.7
78.95921	0.6
98.20071	0.7
116.58216	0.4
197.11734	0.6
199.78465	0.4
220.97992	0.5
272.38181	0.4
279.23196	0.5
291.19489	0.9
295.22717	0.5
311.22137	0.7
375.09250	0.4
379.69867	0.5
388.67068	0.5
469.91397	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.2
57.03445	18.9
59.01381	6.6
61.00261	0.8
67.01874	1.6
68.99854	0.9
71.01375	13.0
71.52588	1.3
72.99302	2.1
73.02947	3.1
74.02473	7.1
75.00863	11.7
83.01382	11.0
83.84414	0.9
84.02172	1.7
85.02944	100.0
85.63212	0.8
86.03281	4.3
87.00864	2.3
89.02461	1.7
89.03956	1.7
98.02473	1.4
99.00842	4.6
101.02457	7.2
109.02988	1.2
111.00875	30.4
112.01243	1.1
116.03532	3.9
117.03461	3.9
119.05009	2.6
125.02432	7.1
129.01941	61.7
130.02264	2.4
132.04506	1.8
133.03020	1.0
134.03743	52.0
135.04063	2.0
137.02524	1.6
141.02008	1.0
149.06049	5.3
151.00368	3.8
159.02986	4.5
161.04541	4.7
163.04013	3.2
175.03995	1.5
177.01863	1.5
177.02629	1.1
177.04025	9.8
178.02711	4.5
178.99767	1.3
187.02473	3.3
191.01982	1.0
193.05035	54.4
194.05400	3.4
195.05107	28.2
196.05342	1.0
205.03517	51.8
206.03879	4.2
207.04013	1.7
209.03059	1.3
223.04568	35.5
224.04930	3.0
225.04910	1.5
227.03648	1.2
246.47845	0.9
255.02911	1.0
259.06033	1.0
261.08777	8.1
271.02460	14.3
276.53339	1.0
285.03879	6.9
286.04251	2.3
286.73788	1.1
287.05313	1.6
299.01904	21.1
300.02682	8.2
301.03503	9.2
302.03879	1.0
303.05081	7.9
341.08701	1.6
371.09787	68.8
372.10110	7.1
399.09290	28.9
400.09564	4.2
462.07858	2.6
463.08572	1.3
465.10504	2.6
481.18988	2.0
609.14789	7.9
668.27252	1.1
771.19763	17.0
772.20355	3.7
799.02759	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.3
61.98828	100.0
62.98522	0.2
67.92737	0.1
71.01380	0.2
85.06688	0.1
96.96007	0.1
101.02437	0.2
109.06557	0.2
112.61000	0.1
113.02474	0.1
116.06706	0.1
125.02413	0.1
163.11281	0.1
170.31990	0.1
171.10237	0.5
197.11888	0.3
201.11295	0.1
207.10225	0.1
209.11800	1.9
211.13448	0.2
225.11331	0.2
227.12840	0.3
235.08253	0.2
241.57416	0.1
253.09354	0.3
285.04092	0.1
291.19724	0.2
298.55545	0.1
307.19437	0.1
309.20749	0.2
313.17773	0.1
325.20200	0.6
651.58496	0.1
734.40845	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	770.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.5
61.98827	100.0
71.01383	0.9
73.02969	0.2
79.39717	0.1
80.96548	0.1
84.04343	0.1
89.02444	0.3
93.70496	0.1
95.05080	0.1
96.96022	0.5
97.02991	0.2
97.22581	0.1
101.02473	0.3
109.06594	0.4
111.08134	0.3
113.02422	0.2
125.02460	0.2
125.09798	0.1
163.11322	0.4
165.12865	0.2
171.10272	4.2
197.11803	1.4
197.24524	0.2
199.13425	0.2
201.11346	0.6
207.10294	1.1
209.11810	1.4
211.13434	0.6
225.11304	2.5
225.13322	0.2
227.12924	0.4
235.08244	0.6
253.09317	1.4
291.19675	1.5
292.36630	0.1
309.20670	3.3
325.20322	0.3
407.19138	0.1
443.19464	0.2
461.20471	0.5
483.90814	0.2
545.29510	0.2
630.36890	0.1
753.40125	0.4
770.40454	0.2
771.42352	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.3
59.01381	4.2
61.33294	0.2
61.98796	0.7
61.99092	0.2
67.31184	0.2
69.15797	1.9
71.01019	0.2
71.01374	3.7
72.99279	0.2
73.02953	1.1
75.00857	0.2
83.01348	0.7
85.02956	1.6
87.00845	0.3
89.02451	2.1
95.01347	0.3
99.00864	0.2
101.02455	2.1
111.00838	0.3
112.40196	0.2
113.02451	1.4
117.03478	0.2
119.03500	0.3
125.02430	0.6
129.01888	0.2
131.03462	0.8
133.02968	0.2
135.24066	0.2
143.03471	0.2
149.04555	1.9
151.00368	0.4
152.01170	0.2
164.50395	0.1
191.05569	0.8
195.06593	0.2
211.04062	0.3
239.03363	0.3
240.04272	0.7
267.03040	0.2
267.06506	0.2
268.03748	53.9
269.04120	4.3
281.04626	0.3
283.06107	100.0
284.06442	9.2
285.04022	1.7
285.06793	0.3
286.04337	0.2
325.07172	1.3
326.07281	0.2
359.28082	0.4
415.10236	0.3
457.11389	0.7
503.32629	0.4
521.33612	0.5
577.15466	1.3
578.15851	0.2
665.37543	5.2
666.38397	0.6
683.38525	2.2
709.19745	8.2
710.19958	1.8
725.40088	1.6
726.39813	0.4
769.18445	0.8
769.34009	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35088	0.7
55.01857	1.1
55.99771	0.7
57.03442	1.6
57.49464	0.6
58.00573	0.8
59.01370	7.8
61.00033	0.7
61.98827	15.8
67.01865	0.7
67.69768	0.8
68.77351	0.7
69.03453	5.0
69.61421	0.8
71.01381	7.0
71.04987	2.2
71.53737	1.1
73.02944	1.3
81.03470	1.0
83.01376	1.2
83.05027	1.9
85.02926	2.5
87.00863	2.4
89.02421	3.0
95.01399	0.8
95.05022	1.7
97.02940	2.0
97.06595	1.9
101.02447	5.3
109.06594	2.1
111.04549	1.0
111.08125	3.1
113.02431	2.3
119.03467	0.9
120.54805	0.8
122.42354	0.7
123.08154	2.1
123.41187	0.8
125.09705	4.4
133.40796	1.0
135.08110	0.9
150.26248	0.8
151.11377	3.8
153.12787	1.9
161.04529	1.5
161.09691	3.2
163.11313	1.0
165.12820	0.9
169.12280	3.4
171.10271	10.0
177.12828	1.0
179.10805	7.3
181.12334	1.8
183.13992	0.9
185.11700	0.9
195.13885	0.9
197.11827	86.2
198.12207	4.7
199.13345	1.5
201.11296	1.8
203.10577	0.8
207.10265	2.6
209.11841	13.5
211.13379	4.2
223.09682	2.1
223.13402	1.6
225.11307	6.5
227.12871	3.5
235.08159	2.0
241.10805	2.6
243.12222	1.1
247.13403	1.4
247.20451	1.0
253.09218	7.6
263.20102	1.3
265.14316	1.0
285.03928	3.0
289.18091	5.8
291.19754	4.8
305.17514	2.3
307.19186	2.8
309.20667	4.5
327.21729	1.4
449.89200	0.9
461.20126	1.2
477.19727	1.8
548.26917	0.7
630.35278	0.9
769.40076	100.0
770.40424	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	769.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
59.01374	6.4
61.98826	14.9
63.96239	0.8
67.01862	0.9
69.03434	3.8
69.16067	8.9
71.01380	7.7
71.05024	1.6
73.02940	2.0
80.91638	0.9
83.01373	1.4
83.04996	1.9
85.02936	2.1
89.02443	2.5
95.05021	1.2
97.02944	2.3
97.06588	2.3
99.00887	4.9
101.02449	4.8
108.02167	0.9
109.06506	1.0
111.08138	4.9
113.02433	2.1
115.24973	0.9
123.08111	2.3
125.09737	4.2
125.10507	1.1
128.41112	0.7
151.11267	2.7
161.04552	1.7
161.09666	3.4
163.11266	3.8
165.12827	0.9
167.10745	0.8
169.12326	2.2
171.10265	13.0
179.05513	1.0
179.10757	8.3
181.12321	5.9
183.13850	1.7
197.11816	68.3
198.12155	3.3
199.13420	5.5
201.11363	1.1
207.10262	9.6
209.11818	9.0
211.13380	4.3
223.09682	1.9
223.13486	1.0
225.11304	16.8
226.11705	1.6
227.12856	1.9
235.08122	1.1
241.10785	2.6
243.12405	6.7
253.09341	4.7
263.20068	1.7
285.04019	3.2
289.18018	2.9
291.19580	2.6
307.18982	3.9
307.63580	1.0
309.20624	6.4
327.21570	0.9
379.72760	1.1
459.18277	1.0
461.20120	3.0
479.21368	2.3
495.49591	0.8
568.31055	1.0
671.33026	1.5
673.77692	0.9
751.39136	2.1
769.40100	100.0
770.40466	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.1
63.02393	1.1
63.85942	0.3
65.00008	0.3
65.00318	0.6
69.59158	2.0
69.59486	0.4
71.01382	1.9
72.99311	0.5
75.00851	1.6
83.01373	0.6
83.82484	0.3
85.02953	2.1
87.00860	0.5
99.00875	0.7
101.02417	0.4
105.03477	0.4
107.01393	1.9
109.02962	0.9
113.02456	1.3
121.02950	0.8
128.28622	0.3
133.02956	5.6
135.04526	0.3
149.02449	1.7
151.00365	3.8
175.03983	2.5
177.01884	0.5
185.06090	0.6
197.06116	0.4
198.03287	0.5
199.03995	2.3
201.01944	0.7
213.05580	0.5
215.03641	0.7
217.05020	1.3
241.05052	0.9
243.02954	0.9
257.04526	0.4
284.03262	3.0
285.04019	100.0
286.04343	5.6
327.04871	0.5
340.24332	0.3
357.05856	0.4
399.78226	0.3
483.13638	0.4
769.18256	31.4
770.18573	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.1
63.02403	1.2
65.00333	0.7
70.05013	0.8
70.05365	0.6
71.01376	2.1
72.99322	0.4
73.02911	0.4
75.00873	1.3
83.01381	0.9
85.02952	2.0
87.00880	0.9
89.02464	0.4
95.01350	0.3
98.19875	0.4
99.00871	1.0
101.02463	0.6
105.03464	0.4
107.01395	1.8
108.37109	0.3
109.02953	1.4
113.02448	1.3
115.00319	0.4
116.18379	0.3
121.02956	0.6
131.01314	0.3
133.02956	6.0
149.02417	1.7
151.00360	3.8
175.03978	2.2
177.01862	0.5
189.05602	0.4
197.06139	0.5
199.03934	2.6
201.01958	0.7
213.05550	0.6
215.03493	0.6
217.05081	1.5
229.05046	0.4
239.03488	0.4
241.04980	0.8
243.02902	0.5
257.04526	0.6
267.02921	0.5
284.03220	3.3
285.04019	100.0
286.04388	7.0
357.05804	0.4
359.14847	0.3
436.38858	0.3
438.50656	0.4
483.13501	1.1
498.72928	0.4
503.19058	0.3
521.20892	0.4
736.01263	0.3
751.16333	0.3
754.61285	0.3
769.18280	37.9
770.18494	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	768.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80967	0.3
59.01374	0.8
61.98827	100.0
67.56578	0.3
69.86600	0.3
71.01390	0.6
71.53137	0.3
71.53507	0.3
75.00876	0.4
76.87762	0.3
80.96514	0.3
81.05528	0.3
89.02457	0.3
93.78534	0.3
125.02448	0.3
128.03526	0.3
141.28368	0.3
171.10236	0.4
209.11873	1.1
211.13483	0.5
225.11461	0.5
243.85745	0.3
253.09280	0.4
283.06235	0.9
284.06610	0.6
285.04211	1.0
289.18210	0.5
381.00476	0.3
501.06598	0.3
736.35992	1.3
737.36676	0.4
769.18652	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
61.98828	100.0
62.98529	0.2
66.30655	0.1
71.01380	0.3
85.02950	0.1
87.00856	0.1
89.02443	0.1
96.95990	0.3
101.02458	0.1
104.23228	0.1
113.02460	0.1
155.09747	0.1
168.58138	0.1
171.10320	0.1
197.11821	0.2
198.97913	0.1
207.10332	0.1
209.11880	0.5
268.03821	0.2
283.06149	0.4
284.06693	0.2
285.03961	0.3
289.18234	0.2
290.18439	0.1
291.18781	0.2
307.19302	0.2
308.19498	0.2
399.13904	0.2
433.80048	0.1
502.52786	0.1
540.02032	0.1
769.18640	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.0
57.03444	17.6
59.01365	3.6
64.44409	0.7
64.98419	0.8
67.01893	1.0
71.01378	7.6
72.99303	1.3
73.02935	2.6
73.26795	0.7
74.02511	0.7
75.00872	2.5
83.01382	9.9
84.02164	2.4
85.02946	100.0
86.03267	1.8
87.00862	1.3
87.18566	0.8
88.01580	0.8
95.01351	1.1
99.00892	0.8
101.02435	6.0
103.84799	0.7
109.02947	1.1
110.56799	0.7
111.00874	34.8
112.01212	1.3
119.05043	3.8
122.71632	0.7
125.02436	4.6
129.01938	57.3
130.02296	1.7
133.02950	1.1
134.03737	4.6
137.02440	1.9
139.00392	1.3
145.02870	1.1
147.03012	1.2
151.00381	1.1
160.01649	1.1
161.04549	5.2
163.03961	5.2
165.01871	1.0
175.04028	1.1
177.05539	0.8
178.02687	1.0
179.03415	0.8
187.02512	3.3
193.05058	5.7
195.05067	0.8
199.02454	1.0
202.06664	0.7
205.03500	55.5
206.03842	1.5
219.06454	0.9
221.04385	0.9
223.04565	62.3
224.04922	2.0
284.03326	0.9
285.04022	26.3
286.04248	1.9
305.06656	8.8
324.00461	0.8
359.14899	1.0
369.08209	12.7
370.08719	0.8
399.04111	1.6
399.09293	22.2
400.09717	1.5
436.36649	0.9
769.18481	11.9
769.32330	1.0
770.18542	2.7
780.58679	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.1
57.57488	0.7
58.00573	1.2
59.01376	37.1
60.08242	0.8
62.87872	0.7
65.73570	0.7
68.99792	1.3
69.03448	1.8
70.73534	1.5
70.73894	2.0
71.01376	21.3
72.99301	4.6
73.02924	2.2
75.00497	0.8
75.00867	18.4
75.24727	0.8
83.01392	1.6
83.05021	1.6
85.02946	22.3
87.00880	9.4
89.02441	7.4
91.03990	1.1
95.01385	5.9
96.95969	1.0
99.00872	10.7
101.02445	2.0
103.00371	2.5
111.00816	1.0
111.04504	1.1
113.02444	27.2
114.02714	1.1
115.00349	1.9
117.01916	2.2
119.03471	1.1
119.05004	2.5
123.04499	0.8
127.03971	1.1
128.03506	1.1
129.02010	1.8
135.04515	0.8
149.04538	1.3
161.04515	1.2
161.09685	2.0
161.13284	1.9
163.04004	3.8
163.11307	1.6
175.02454	1.0
179.05588	6.7
187.11269	3.4
205.07185	1.6
205.12326	1.7
207.05043	1.1
207.10204	2.4
223.13420	1.0
231.05000	1.4
249.06119	13.3
249.11302	0.9
267.07202	23.9
268.07562	1.6
283.06256	1.0
309.11371	1.1
320.09418	2.0
325.09207	3.4
339.12482	1.8
457.17059	1.0
517.19275	1.7
591.22638	2.6
749.25183	3.4
767.26080	100.0
768.26379	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	767.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.1
57.57488	0.7
58.00573	1.2
59.01376	37.1
60.08242	0.8
62.87872	0.7
65.73570	0.7
68.99792	1.3
69.03448	1.8
70.73534	1.5
70.73894	2.0
71.01376	21.3
72.99301	4.6
73.02924	2.2
75.00497	0.8
75.00867	18.4
75.24727	0.8
83.01392	1.6
83.05021	1.6
85.02946	22.3
87.00880	9.4
89.02441	7.4
91.03990	1.1
95.01385	5.9
96.95969	1.0
99.00872	10.7
101.02445	2.0
103.00371	2.5
111.00816	1.0
111.04504	1.1
113.02444	27.2
114.02714	1.1
115.00349	1.9
117.01916	2.2
119.03471	1.1
119.05004	2.5
123.04499	0.8
127.03971	1.1
128.03506	1.1
129.02010	1.8
135.04515	0.8
149.04538	1.3
161.04515	1.2
161.09685	2.0
161.13284	1.9
163.04004	3.8
163.11307	1.6
175.02454	1.0
179.05588	6.7
187.11269	3.4
205.07185	1.6
205.12326	1.7
207.05043	1.1
207.10204	2.4
223.13420	1.0
231.05000	1.4
249.06119	13.3
249.11302	0.9
267.07202	23.9
268.07562	1.6
283.06256	1.0
309.11371	1.1
320.09418	2.0
325.09207	3.4
339.12482	1.8
457.17059	1.0
517.19275	1.7
591.22638	2.6
749.25183	3.4
767.26080	100.0
768.26379	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	767.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.3
58.00592	1.0
59.01378	23.2
61.76046	0.9
61.98829	97.2
69.03458	3.0
71.01379	19.1
72.99295	1.7
73.02939	2.7
75.00868	1.0
79.06111	1.0
81.03468	1.2
83.01385	2.0
85.02954	5.0
87.00893	3.3
87.13864	0.9
89.02436	15.8
94.85016	0.8
95.01376	1.5
97.02944	9.4
99.00869	1.2
101.02445	14.1
109.39524	1.0
111.08160	2.3
113.02469	8.6
119.03510	4.8
119.96436	0.9
125.02402	7.0
137.09676	1.9
143.03528	0.9
161.04565	3.2
163.11333	2.0
165.12791	2.8
167.14374	1.0
171.10286	5.5
179.05655	4.4
183.13852	1.2
193.12254	1.1
197.11873	6.5
209.11845	6.4
210.12209	1.0
211.13432	4.6
218.71132	0.9
221.06711	0.9
223.13359	2.1
227.12897	2.7
235.08199	4.3
247.20647	3.4
253.09134	1.9
268.03748	4.6
273.18674	2.4
283.06091	8.3
284.06204	1.0
287.07733	1.6
288.32864	1.0
291.19650	35.1
292.19989	2.9
305.08759	1.6
309.20688	100.0
310.20963	8.7
397.13495	53.1
398.14136	4.6
415.14545	42.8
416.14816	3.6
707.34961	10.5
708.35480	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76679	0.5
59.01377	0.7
60.41129	0.5
61.98814	0.7
63.96214	1.4
69.03451	0.6
70.74636	1.5
71.01382	7.9
73.02941	1.0
76.16559	0.5
78.95920	1.0
78.98582	5.9
79.95731	11.5
80.96515	67.0
81.03462	1.0
87.00867	1.6
94.98080	15.8
95.01458	0.6
96.96021	0.8
97.02948	1.8
99.00830	0.7
101.02425	2.5
106.98063	2.8
113.02432	0.5
122.97589	3.6
125.02460	3.4
127.04010	1.1
134.97569	5.8
136.99161	1.6
145.19270	0.5
148.11990	0.5
148.99153	5.6
152.98622	6.8
152.99695	0.7
164.98622	13.8
167.00240	0.5
183.13962	2.8
206.99702	3.2
212.51294	0.7
223.13332	0.6
225.00729	21.4
255.23279	1.7
277.21725	1.0
291.19586	1.3
329.13428	0.6
340.75238	0.6
404.37332	0.7
509.17050	2.5
537.27173	1.5
562.82092	0.6
765.40967	100.0
766.41266	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	767.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.3
63.02428	0.3
65.00343	0.3
69.38687	0.8
69.39095	0.2
71.01379	2.0
72.42610	0.1
72.99303	0.4
73.02938	0.3
75.00877	1.6
83.01380	0.2
85.02952	1.7
87.00851	0.7
89.02431	0.3
93.86466	0.1
95.01405	0.3
97.02929	0.2
98.19931	0.3
98.76777	0.1
99.00887	0.7
101.02443	0.3
103.03989	0.1
107.01410	0.2
113.02445	1.4
117.03489	0.3
149.99557	0.2
151.00349	0.6
164.74548	0.2
171.04478	0.3
172.05273	0.2
175.02426	0.2
195.04465	0.2
196.05301	0.2
211.03893	0.3
212.04779	0.2
239.03458	0.8
240.04288	1.5
267.02921	0.4
268.03732	73.2
269.04074	4.3
283.06088	100.0
284.06436	6.6
327.05118	0.2
483.13480	2.8
484.13724	0.3
487.71481	0.2
767.20306	8.6
768.20441	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30072	0.8
55.01863	1.3
57.03447	4.4
57.51619	0.9
59.01376	36.3
61.98826	11.6
63.17538	0.9
68.99791	1.1
69.03448	1.5
69.15425	9.4
71.01378	24.3
72.01746	0.8
72.43855	0.9
72.99302	7.2
73.02926	2.2
75.00868	18.1
83.01381	1.2
83.04989	1.1
84.17430	0.8
85.02459	1.6
85.02943	23.7
86.50285	0.8
87.00873	9.7
89.02428	6.3
91.03999	1.8
93.03438	1.2
95.01385	5.0
99.00887	10.4
101.02444	2.1
103.00354	2.5
113.02440	27.4
113.06017	0.9
114.02738	1.0
115.00337	1.9
117.01948	2.1
125.02429	0.9
129.01935	2.4
131.03499	1.5
135.04520	2.2
146.03702	1.3
149.02490	1.2
150.03191	3.4
157.01373	1.2
161.09595	1.3
161.13304	1.6
163.11209	1.9
165.05505	3.5
174.09764	0.8
175.02415	2.2
179.07063	1.3
187.11252	3.9
195.06648	1.9
200.24985	0.9
201.18161	0.9
204.30743	1.0
205.07080	1.5
205.12347	4.3
207.05092	1.2
207.10222	1.7
213.09363	1.0
213.97879	0.9
216.11453	0.8
223.13443	1.5
231.04829	1.1
249.06122	15.4
267.07172	19.3
268.03641	1.2
283.05994	2.2
303.72076	1.0
309.08185	2.6
387.80771	0.9
457.17029	1.4
499.17987	2.8
517.19287	1.7
591.22998	2.8
749.25012	2.9
767.26080	100.0
768.12671	1.3
768.26477	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	765.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.4
60.99303	17.2
61.98820	1.4
68.76399	0.2
69.85009	0.5
69.85422	0.4
71.01378	0.4
82.12534	0.2
87.00858	0.8
88.00399	2.8
88.39187	0.2
88.98801	100.0
89.02438	10.8
89.03020	0.3
89.99134	0.8
101.02460	0.2
138.52234	0.2
143.34846	0.2
155.54211	0.2
167.56052	0.2
171.10254	0.3
176.52608	0.2
223.13393	0.7
226.39804	0.2
277.21771	0.6
295.42795	0.2
397.13568	1.1
415.14828	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.4
59.60343	0.1
60.99304	17.0
61.98822	1.2
61.99628	0.2
70.37609	0.6
71.01377	0.3
72.99336	0.2
75.49165	0.1
78.59277	0.1
80.96511	0.2
87.00874	1.2
88.00399	2.8
88.98802	100.0
89.02437	13.8
89.17760	0.2
89.99139	1.1
90.02750	0.2
93.32102	0.2
277.21790	0.5
330.17630	0.2
397.13425	1.0
415.14499	0.3
469.57291	0.2
545.82745	0.2
594.59448	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.7
61.98843	0.4
63.96236	1.3
67.03448	0.3
69.03461	1.0
71.01380	7.5
72.59604	0.3
73.02950	1.2
78.98588	5.2
79.95732	10.1
80.96516	65.6
81.03461	0.8
83.01373	0.5
87.00870	2.5
90.81491	0.3
94.98083	15.3
96.96003	1.6
97.02961	1.5
99.00835	0.7
101.02456	2.6
106.98079	3.1
113.02414	0.4
122.97591	3.2
125.02453	2.6
127.04011	0.8
134.97580	5.1
136.99074	1.1
146.97617	0.5
148.99146	5.2
152.98618	5.3
164.98616	12.6
167.00201	0.6
183.13895	2.4
206.99655	2.9
225.00728	21.5
229.44881	0.4
255.23380	1.8
266.06375	0.4
327.48941	0.4
392.08792	0.4
437.71979	0.4
509.16650	2.0
516.43066	0.4
537.27368	1.5
538.27631	0.4
548.72968	0.4
765.40961	100.0
766.41278	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	765.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.4
57.03442	3.3
59.01375	44.1
61.98823	20.9
69.03436	2.5
71.01005	3.3
71.01373	35.8
71.45677	2.4
72.99294	2.6
73.02928	5.1
75.00861	2.5
77.69767	1.8
80.49728	1.7
81.03416	4.0
81.82767	1.6
83.01381	7.1
83.05027	3.7
85.02946	10.1
87.00856	7.2
88.98808	3.4
89.01926	3.0
89.02437	30.4
95.01367	4.2
95.05031	3.0
96.96011	5.2
97.02939	6.9
97.06586	3.7
99.00858	2.8
101.02443	27.7
109.06574	4.9
111.04521	3.1
113.02467	13.6
113.05909	1.7
119.03530	8.7
121.02956	2.0
123.04479	3.7
125.02435	11.5
125.09704	7.2
129.29874	1.6
137.09738	3.6
141.12849	2.4
143.03470	4.8
160.22328	1.7
161.04520	6.9
163.11247	8.3
165.12915	2.9
169.12184	2.8
171.10252	5.6
179.05618	5.8
181.12192	2.2
185.11844	10.3
191.14346	12.8
199.13283	2.8
207.10234	7.0
209.11815	65.7
210.12102	3.7
211.13452	4.4
225.11209	5.8
227.12863	5.4
235.08177	8.0
237.11354	2.1
245.19055	18.4
253.09167	5.7
263.20233	2.0
271.16904	2.6
273.47995	1.7
289.18076	91.3
290.18427	9.2
305.08643	2.4
307.19104	100.0
308.19418	8.8
312.53345	1.9
343.20547	2.1
368.04327	1.8
397.08310	3.2
397.13474	58.9
398.13809	3.2
415.14517	50.1
416.14651	3.5
438.97614	1.9
705.33661	5.6
706.33142	2.7
721.35968	4.9
765.36523	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	765.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.9
59.01375	51.5
61.98829	17.6
69.03454	2.7
71.01377	40.6
72.99295	5.4
73.02936	7.1
73.91300	1.3
75.00872	6.0
76.39554	1.2
80.96505	4.5
81.03448	3.2
83.01397	3.9
83.05008	3.1
85.02947	9.9
87.00865	9.6
88.98813	7.3
89.02441	31.1
95.01388	3.1
95.04995	3.6
97.02947	6.5
97.06594	12.6
99.00861	3.2
101.02441	29.4
107.85129	1.7
109.02940	2.9
111.00868	2.5
111.04474	1.8
111.08156	4.8
113.02437	15.3
119.03487	11.2
125.02464	11.5
125.09715	2.7
137.09764	1.9
141.12897	1.8
143.03458	4.6
151.11310	9.7
153.12875	2.1
155.10757	2.7
158.54037	1.4
161.04553	5.7
163.11287	3.2
164.98653	1.4
165.12845	13.7
167.10785	2.6
169.12241	2.8
171.10234	1.7
177.12816	1.5
179.05550	6.4
179.10732	4.0
181.12315	13.1
183.13817	5.3
191.10786	7.5
191.14374	3.6
191.16042	1.6
204.29654	1.5
205.12352	1.9
207.10297	2.1
209.11804	49.2
210.12158	4.1
211.13406	7.7
221.06581	2.4
227.12859	23.1
235.08195	8.9
237.15169	1.4
243.77798	1.4
245.19127	8.8
253.09219	3.5
263.07721	3.5
263.20129	15.6
264.20276	1.6
271.17035	2.2
279.19672	2.5
287.07758	2.6
289.18057	18.4
305.08905	2.0
307.19122	100.0
308.19431	9.5
323.09552	1.6
397.13470	59.4
398.13831	7.0
415.14542	44.6
416.14709	3.1
445.20563	1.9
463.21893	1.6
593.23822	1.6
607.26013	63.1
608.26428	9.3
622.24396	4.7
687.32825	2.7
705.33447	31.5
706.33740	5.8
765.33575	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	762.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45057	0.2
59.01376	0.2
60.56010	0.2
60.99314	0.4
61.98829	100.0
62.98523	0.2
71.53324	0.3
87.00889	0.3
88.00431	0.3
88.98803	2.0
89.02459	0.3
96.58150	0.2
143.76468	0.2
171.10286	1.1
172.10567	0.3
183.27904	0.2
188.53329	0.2
207.77451	0.2
209.11931	0.2
309.20813	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35361	0.4
54.89409	0.5
55.01903	0.4
57.03435	1.5
59.01377	6.3
61.98823	1.2
67.01891	0.5
67.30213	0.4
69.03452	0.9
69.22373	1.6
69.22797	2.7
71.01378	8.1
72.99306	2.8
73.02946	0.8
75.00874	6.4
83.01373	0.7
84.55410	0.4
85.02948	8.4
87.00882	3.0
89.02444	1.8
91.03999	0.5
95.01392	2.1
98.20640	1.1
99.00895	5.0
100.04469	0.4
101.02425	1.0
103.00318	0.6
109.02946	0.4
111.00851	0.8
111.08169	0.9
113.02441	9.7
115.00346	1.0
117.01904	1.1
129.01915	0.9
133.02896	0.7
156.20515	0.5
165.12843	9.7
166.13103	0.7
171.06622	0.9
175.02461	1.5
183.13889	34.0
184.14221	1.9
192.14099	0.5
209.11810	1.4
227.12811	3.9
247.01926	0.5
249.06082	6.2
267.07196	10.1
268.03729	4.1
283.06076	11.1
284.06503	0.6
285.03992	4.8
296.37106	0.5
301.16559	0.8
381.71777	0.4
415.19531	0.8
459.18698	1.0
477.19742	100.0
478.20047	11.8
510.10699	0.5
704.48364	0.6
763.34399	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56888	0.1
61.98827	100.0
71.01398	0.1
71.31680	0.1
88.98807	0.3
89.02493	0.1
96.95969	0.1
98.19874	0.3
115.71191	0.1
125.02453	0.1
135.27884	0.1
148.96451	0.1
156.56403	0.1
169.26855	0.1
178.88448	0.1
196.31668	0.1
209.11821	0.3
210.12178	0.1
211.13405	0.4
218.33098	0.1
224.13715	0.2
229.52661	0.1
300.72708	0.1
348.26334	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	765.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.3
57.03450	2.1
59.01377	36.4
61.98826	16.5
68.61574	1.6
69.03460	3.1
71.00514	3.5
71.01383	32.3
72.99300	2.2
73.02930	3.7
75.00875	5.4
80.02668	1.5
81.03446	5.2
83.01373	4.9
83.05001	1.7
85.02943	5.6
87.00852	4.6
88.98801	5.5
89.02444	28.0
95.01362	2.9
95.05013	2.4
97.02935	7.6
97.06572	4.6
99.00855	2.3
101.02440	21.3
109.06586	2.7
113.02452	11.0
119.03508	6.8
123.04472	3.8
123.08183	3.1
125.02426	8.0
125.09711	6.0
137.09705	4.5
141.12802	1.9
143.03487	3.5
161.04529	6.5
163.11296	8.8
171.10278	6.0
179.05629	5.5
181.12486	2.0
185.11797	7.4
190.18892	1.6
191.10780	2.0
191.14386	10.7
207.10228	6.4
209.11806	37.6
211.13432	9.0
212.13644	2.8
225.11180	5.7
227.12865	4.9
235.08144	7.9
237.11369	2.0
245.19040	18.9
253.09225	4.6
263.20004	2.6
267.21924	1.7
271.16953	2.8
281.21201	2.8
289.18073	88.8
290.18341	8.0
290.41269	1.6
305.09027	1.9
307.19116	100.0
308.19522	10.1
353.61832	2.0
397.08273	3.7
397.13455	62.1
398.13647	4.5
415.14563	51.3
416.14764	3.5
705.33875	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	761.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	0.2
59.01376	2.9
69.17563	1.8
71.01369	0.6
89.02443	0.5
91.04009	0.5
97.06584	0.3
97.23412	0.2
101.02425	0.3
104.83150	0.2
111.08155	0.4
113.02453	0.2
165.12825	4.4
167.51547	0.2
171.10313	0.3
183.13882	100.0
184.14224	5.5
209.11813	2.5
227.12866	4.7
271.16180	0.2
301.16537	59.1
302.16870	4.4
355.53577	0.2
394.73416	0.2
415.23218	0.4
761.35822	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73551	0.5
57.03431	0.6
59.01376	6.2
61.98827	3.1
63.03191	0.5
69.03450	1.4
69.16421	4.8
69.16833	1.2
71.01379	3.5
71.05039	0.5
73.02931	0.7
80.02680	0.7
81.03447	0.8
83.01385	0.7
83.05022	4.2
84.02164	0.7
85.02943	1.2
87.00868	0.9
88.98789	1.0
89.02446	2.5
93.03426	0.9
101.02433	2.4
109.06583	1.1
113.02446	1.4
119.03493	0.7
125.02405	0.9
128.74409	0.5
154.40160	0.5
161.04497	1.0
163.11238	3.1
165.12819	1.9
167.10725	2.3
171.10266	2.6
179.05681	0.8
179.10721	0.9
179.14400	2.5
181.12308	1.1
195.13843	6.5
205.12317	7.7
209.11809	100.0
210.12152	4.8
223.13382	70.9
224.13678	5.0
227.12863	16.1
229.35677	0.6
235.08244	2.8
253.09277	8.1
261.14899	2.0
368.46426	0.6
416.42444	0.6
441.21201	1.7
445.20926	4.2
459.22363	10.2
460.22708	1.5
633.32898	1.7
651.33899	5.9
652.34503	1.2
669.34845	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42176	1.0
61.98800	1.5
63.96242	1.6
64.37777	1.0
69.99232	2.7
69.99628	1.8
71.01386	8.6
73.02930	1.3
78.95902	1.1
78.98598	6.7
79.95738	13.6
80.96516	81.1
85.02946	3.2
87.00864	2.6
94.98083	17.5
96.95982	1.3
97.02975	1.9
99.00834	1.1
101.02424	2.8
106.98093	2.8
108.26871	1.1
122.97550	5.0
125.02444	2.5
134.97588	5.8
143.03497	1.2
148.99156	7.7
152.98624	5.8
164.98619	14.8
169.79361	1.0
206.99583	3.5
225.00719	22.6
255.23198	2.7
283.04831	1.1
439.52795	1.2
505.17450	3.5
537.27356	2.9
694.84875	1.3
761.41437	100.0
762.41803	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	761.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.8
61.98815	1.1
63.26440	0.4
63.96245	1.9
65.27625	0.3
69.03450	0.8
71.01374	6.9
73.02938	1.7
78.95920	0.4
78.98584	6.3
79.95736	12.1
80.96514	71.6
81.03442	1.0
81.96426	0.4
85.02964	2.4
87.00864	2.9
93.86113	0.3
94.98083	16.3
95.01343	0.5
96.96007	1.4
97.02932	1.8
98.19883	0.9
99.00799	0.4
101.02467	2.6
106.98088	3.5
113.02421	0.6
122.97572	2.9
125.02446	3.4
127.04031	1.0
134.97574	5.0
136.99142	1.5
143.03331	0.4
146.97569	0.5
148.99136	6.1
149.00272	0.3
152.98633	6.0
154.64178	0.4
164.98627	10.4
167.00037	0.5
176.39206	0.3
183.91605	0.4
195.14029	0.4
206.99643	2.4
223.13411	1.0
225.00729	20.4
226.01009	0.8
255.23311	2.3
269.88812	0.4
505.17487	2.6
537.27490	1.6
541.06934	0.4
576.96191	0.4
761.41437	100.0
762.41724	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	759.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.3
61.98823	3.0
69.03447	0.5
69.26297	2.5
69.26710	1.0
71.01373	2.6
71.07081	0.4
72.17956	0.4
73.02928	0.7
73.75646	0.4
73.78509	0.4
78.95893	0.4
83.05034	0.5
85.02937	0.7
87.00882	0.8
89.02431	1.5
97.02967	1.0
101.02437	2.9
111.08159	3.2
113.02453	1.6
119.03490	0.7
125.09684	0.8
127.11278	1.6
143.03441	0.5
161.04544	1.4
165.12903	1.0
169.12347	1.3
171.10265	100.0
172.10629	4.7
172.40218	0.5
179.05621	0.5
181.12253	0.5
197.11821	11.2
199.13391	0.7
206.05876	0.4
209.11838	1.3
211.13411	2.2
223.13272	0.5
227.12866	0.9
235.08205	5.9
247.20689	1.2
253.09279	11.1
254.09702	0.8
263.20261	0.6
265.18140	0.4
273.18286	0.4
291.19632	16.7
292.20087	1.0
309.20685	32.6
310.21051	2.7
311.22720	0.5
340.49515	0.4
356.99619	0.4
407.19199	4.2
408.19650	0.4
463.30936	1.3
527.28510	1.2
545.29694	1.5
768.96967	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18117	3.4
59.05542	3.6
61.98829	100.0
71.52686	4.6
78.95903	52.4
81.90013	4.7
83.09956	3.6
96.98193	4.0
105.73615	4.1
152.66438	3.4
152.99553	24.5
161.98843	4.2
171.10324	5.1
209.11804	33.9
211.13356	5.2
227.12885	15.6
235.08273	5.9
253.09441	6.0
277.21716	64.4
278.21899	4.8
282.88449	3.9
293.21143	6.6
311.22382	9.8
391.17944	5.2
427.27365	4.1
437.05826	4.3
447.21521	20.9
465.22174	6.1
621.69574	3.9
632.60736	4.3
759.44165	37.6
760.43213	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.393
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38689	8.5
61.98827	100.0
70.39809	10.0
71.16203	13.4
95.95352	9.4
108.80573	9.5
118.98309	9.0
287.88229	9.6
757.39667	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	70.1
75.76768	4.5
78.95912	11.5
93.75064	3.8
105.94114	4.1
165.12927	4.6
177.07054	4.4
207.60590	5.3
209.11833	100.0
210.12187	6.3
226.31866	4.5
227.12875	18.2
253.09279	9.6
277.21735	63.6
368.57770	5.5
447.21371	6.1
488.34940	4.4
759.40918	35.0
760.41699	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	757.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07134	3.5
56.97152	3.5
59.01382	20.5
61.98824	100.0
71.01390	5.5
71.67538	4.3
78.95914	5.1
85.05504	4.0
96.96043	9.0
98.19849	8.0
137.00847	4.1
139.99590	3.7
146.20790	4.1
148.61166	4.5
171.10298	8.4
176.82454	4.3
197.11856	7.1
209.11836	28.5
210.12213	6.5
211.13432	34.6
227.12885	7.0
276.17575	3.9
327.22003	10.0
410.33142	4.1
438.35519	4.5
445.21133	6.0
447.22153	5.0
473.29150	3.9
550.54370	4.6
639.33179	5.0
757.38959	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	757.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.5
57.03444	8.2
59.01378	5.9
67.42660	0.5
69.41019	0.4
71.01381	5.3
71.52576	0.5
71.52913	0.5
72.99303	1.0
73.02942	2.0
75.00865	2.5
83.01377	4.7
84.02164	1.3
84.19296	0.4
85.02946	39.7
85.22578	0.5
86.03287	1.6
87.00871	1.9
88.01705	0.4
88.53137	0.4
89.02462	0.6
96.96014	1.1
97.71378	0.4
99.00870	0.8
101.02454	5.3
108.02173	0.4
111.00875	20.0
112.01214	0.7
113.02431	0.8
119.05029	2.5
121.02973	1.0
123.00768	0.6
123.04523	1.4
125.02469	1.4
129.01938	19.1
130.02225	0.6
134.03697	1.1
137.02470	0.6
143.03569	0.5
147.02968	1.5
147.04486	0.9
149.04520	0.5
149.06071	0.5
151.00352	0.5
152.01109	0.9
153.05562	0.5
159.03006	0.7
161.04533	1.8
163.03996	1.8
167.03551	0.7
177.04115	0.8
179.03534	0.5
187.02444	2.0
190.05107	4.1
191.01891	0.6
191.05409	0.7
193.05034	1.1
195.04997	1.0
205.03514	27.8
206.03909	0.9
209.06624	1.1
223.04567	100.0
224.04936	5.6
225.04977	1.1
269.87469	0.5
285.03958	1.3
286.04398	1.1
287.04843	0.6
327.10706	0.6
341.08575	1.1
369.08206	11.2
370.08554	1.1
371.09482	1.0
387.10867	1.4
387.16638	1.1
471.81317	0.5
472.09479	0.5
595.15741	0.8
757.19739	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	757.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28033	0.4
57.03440	4.3
59.01374	3.1
60.30918	0.4
71.01369	2.0
71.05003	0.5
71.53040	0.4
72.99304	1.8
73.02929	2.0
75.00867	21.7
75.65995	0.4
81.03455	1.4
83.01373	0.9
84.02158	0.4
85.02937	8.8
87.00866	1.6
87.01328	0.4
89.02412	0.5
90.25481	0.4
97.02943	1.3
99.04490	2.9
101.02426	1.4
105.94010	0.4
111.00877	3.2
119.05013	12.6
120.05318	0.5
125.02425	6.2
129.01929	4.1
134.03738	0.5
143.03477	2.3
145.02982	0.5
153.03046	1.5
161.04523	4.1
163.03983	11.2
164.04306	0.6
179.05589	100.0
179.26352	0.5
180.05969	3.2
191.05661	0.5
193.05098	0.7
195.04094	1.9
205.03513	4.2
209.06650	0.9
223.04553	16.0
224.04834	0.5
325.09183	8.8
326.09421	0.6
355.10345	0.8
369.08203	1.7
387.11069	0.5
387.16385	0.4
413.95822	0.4
431.11783	2.6
757.20319	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91391	0.6
57.03431	1.2
59.01381	9.7
61.98830	19.4
69.03452	1.8
70.49693	1.7
71.01369	8.1
71.17368	0.6
72.93256	0.6
72.99297	0.7
73.02950	1.9
78.91879	3.8
78.95866	0.8
80.91670	0.8
83.01389	1.7
83.05026	2.4
85.02953	2.5
87.00874	2.3
89.02425	3.3
95.01364	1.0
95.05019	1.8
97.02951	2.6
97.06606	1.3
101.02450	6.6
105.08112	0.6
108.64536	0.6
109.06569	1.6
111.08164	6.5
113.02431	3.5
115.04061	0.7
119.03523	1.0
125.02421	1.2
125.09721	1.7
137.09729	1.1
143.92081	0.7
145.05043	0.7
149.09607	0.7
161.04535	2.6
163.11276	2.7
165.12833	10.6
169.12329	4.1
171.10237	8.2
181.12312	1.5
183.13884	91.4
184.14149	5.6
185.11795	0.8
193.12460	0.8
195.13893	1.2
197.09999	1.2
197.11824	24.3
198.12125	1.6
199.09735	0.8
199.13435	5.2
201.11446	1.7
207.10158	3.5
209.11806	20.5
210.12187	7.2
211.13496	4.3
212.13771	1.0
223.13385	1.2
225.11273	4.7
227.12886	14.7
228.13268	1.5
231.16570	0.6
235.08173	4.2
247.20605	1.3
253.09271	9.9
254.09610	0.9
263.20215	1.6
273.18579	1.4
275.20203	0.9
289.18054	2.2
290.18417	2.3
291.19635	12.5
292.20099	1.3
293.21204	8.6
294.21606	1.2
295.22525	0.8
302.62613	0.6
307.19147	2.6
308.19485	1.3
309.20700	20.8
309.24240	1.4
310.21127	2.2
311.22455	0.7
327.21582	0.7
337.18222	0.6
359.71826	0.7
445.20917	2.7
463.21683	4.3
611.54517	0.7
735.81274	0.8
737.41211	1.4
755.42194	100.0
756.42438	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.3
57.03453	0.3
58.00582	0.3
59.01377	4.0
61.98827	2.7
69.03453	0.8
69.45127	0.2
69.45443	1.2
71.01371	3.5
71.05020	0.3
72.58293	0.2
72.63804	0.2
72.99310	0.3
73.02930	0.8
74.30775	0.2
79.95734	0.2
80.02667	1.4
80.96528	0.4
81.03461	1.2
83.01397	0.5
83.05022	4.3
84.02160	0.9
84.05364	0.2
85.02924	1.0
87.00871	0.7
89.02441	2.0
92.09930	0.2
93.03452	0.2
95.01385	0.3
95.05018	0.7
97.02937	1.6
97.06597	0.4
97.18751	0.2
99.00881	0.3
101.02439	3.2
109.06568	0.7
111.08155	3.0
113.02432	1.5
119.03468	0.6
123.08154	0.2
123.43011	0.2
125.02402	0.2
125.06087	0.4
125.09695	0.4
127.07672	0.2
131.52145	0.2
133.05092	0.3
135.08163	0.6
137.09703	0.5
145.05087	0.3
147.11804	0.3
151.11275	0.2
153.09187	0.4
153.12817	0.2
161.04558	1.6
162.10515	0.2
163.10066	0.2
163.11276	3.8
165.12823	3.0
169.12309	1.8
171.10257	2.5
177.12831	0.2
179.05550	0.3
179.10886	0.2
181.12341	1.3
183.13828	0.3
185.11839	0.4
191.10823	1.1
193.12262	0.3
197.11810	17.8
197.33014	0.2
198.12170	1.0
199.13374	1.5
200.13689	0.2
201.11295	0.2
207.10182	0.5
209.11801	100.0
210.12146	6.4
211.13377	3.4
223.13431	0.4
225.11331	0.9
227.12865	13.3
228.13232	0.8
235.08182	3.3
236.08531	0.2
247.20613	0.8
253.09254	12.0
254.09592	0.6
263.20129	0.8
265.18082	0.6
273.18613	0.6
275.19949	0.2
291.19626	14.7
292.19894	1.3
293.21149	1.8
309.20673	36.1
310.21039	3.6
366.04825	0.2
433.20795	0.2
445.20663	1.4
463.21765	0.3
501.31915	0.5
519.33044	0.3
545.29834	0.9
546.29816	0.2
564.22583	0.2
665.28778	0.2
755.42523	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.3
58.51327	2.5
59.01377	23.5
61.98827	89.3
65.83531	2.2
70.46660	9.1
71.01379	10.1
78.95921	4.9
85.02954	2.7
87.00877	4.4
89.02441	5.8
89.16904	2.4
101.02423	6.7
111.08170	12.3
113.02466	3.6
119.03516	2.2
131.03647	2.2
152.99590	2.6
161.04623	3.3
163.11220	3.3
165.12863	13.7
169.12274	3.0
171.10231	5.1
179.10730	2.7
181.12152	2.2
183.13881	100.0
184.14217	5.8
185.11801	4.7
195.13869	7.0
195.69322	2.2
197.11790	7.2
199.13422	14.2
203.52615	2.3
207.10274	3.3
209.11850	19.4
211.13373	43.3
217.16638	2.2
223.13333	22.9
227.12868	35.0
235.08138	7.3
253.09288	23.1
289.18036	8.2
291.19632	88.8
291.84024	2.4
292.20041	5.9
293.21237	5.9
307.19211	4.9
309.20697	22.9
310.20944	5.5
445.20740	3.3
463.21640	9.9
464.21817	3.2
669.34900	18.5
670.35400	3.6
737.41028	21.2
738.41693	4.6
755.42065	15.3
756.42188	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18732	4.1
59.01401	4.8
61.98827	78.3
70.35030	12.6
70.35360	4.3
78.95898	64.5
82.03711	4.6
95.05022	5.7
110.38096	4.0
110.98513	22.9
152.99582	13.5
167.01132	8.8
171.10255	15.6
184.52783	4.2
195.13881	11.4
197.11862	15.3
211.13351	10.0
223.13362	9.9
277.21683	70.1
278.22183	7.4
291.19598	17.9
293.21164	12.8
295.22937	25.7
309.20752	9.0
311.22229	12.3
327.21603	12.6
526.99585	4.5
755.44916	100.0
756.45020	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	755.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
59.01379	5.2
63.02375	0.9
65.00320	1.6
69.35872	5.3
71.01374	3.0
72.99341	1.1
73.02917	0.6
74.02454	2.3
75.00845	1.1
83.01374	1.3
85.02942	2.1
89.02423	2.0
98.20612	1.0
101.02452	1.5
107.01374	1.9
109.70250	0.7
113.02428	1.0
115.79130	0.6
116.05024	1.1
119.04995	0.8
121.06499	0.7
125.02453	4.1
129.37030	0.7
133.02943	0.7
134.03716	0.8
145.02930	0.9
151.00372	7.3
151.03958	1.9
152.01088	1.1
158.03761	0.7
159.04454	0.9
165.05563	1.6
167.05009	0.6
171.04460	1.2
172.75964	0.7
178.99782	2.2
183.04468	1.9
187.03935	1.6
191.02184	0.7
199.03934	6.0
201.01910	0.7
202.02663	4.4
203.03448	1.8
203.08243	2.1
211.04015	1.5
214.02608	0.8
215.03438	2.1
217.04951	0.7
222.17961	0.8
223.04512	0.9
227.03528	7.5
242.02159	5.0
243.02959	33.9
244.03253	2.7
245.09219	3.8
254.02098	0.8
255.02979	13.0
256.03488	1.4
257.04547	5.4
259.06079	0.9
269.04419	1.6
270.01630	5.4
270.04669	1.2
271.02457	43.1
272.02966	4.2
284.03235	1.0
285.04041	12.6
286.04730	4.6
287.05396	1.5
299.01944	74.5
300.02588	18.5
301.03000	1.0
313.03400	2.4
314.04303	72.6
315.04962	25.6
316.05502	2.0
357.06052	0.8
365.08734	4.2
403.19684	3.8
405.59537	0.9
418.67999	0.9
465.10245	6.3
527.46460	0.7
605.15167	1.2
755.20325	100.0
756.20673	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.9
63.02402	1.6
65.00333	2.0
66.58900	0.6
69.86092	1.2
69.86485	1.0
83.01389	1.2
85.02981	1.3
86.50880	0.5
93.03456	0.7
98.19987	0.9
101.02448	0.8
107.01394	3.9
109.02941	0.7
113.02421	0.7
117.03500	0.9
119.05043	2.7
121.02982	0.8
125.02461	0.5
132.02127	0.6
133.02957	4.6
134.03693	0.7
149.02412	1.6
151.00360	11.6
163.00409	0.8
168.04147	0.5
171.04440	0.7
175.04034	2.3
177.01932	0.6
184.65109	0.5
187.03976	1.0
199.03952	2.4
201.01851	1.0
206.86662	0.5
209.06709	1.0
211.03976	1.3
213.05614	1.1
217.05125	1.2
227.03491	14.8
228.04024	0.8
229.04979	1.7
239.03450	0.9
240.04343	0.7
241.05083	1.4
255.02969	29.5
256.03598	5.1
257.04538	1.6
269.04480	6.0
270.04807	4.8
271.06100	8.7
272.06467	1.0
283.02405	1.4
284.03244	71.2
285.03995	100.0
286.04388	8.7
309.04080	1.2
327.05023	0.6
447.09619	0.7
483.13480	0.6
528.84277	0.6
575.14490	0.8
593.14795	2.8
645.30200	0.6
755.20306	92.5
756.20636	17.0
766.22900	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.4
59.01369	2.0
63.02409	0.6
65.00335	0.6
70.15843	1.0
71.01382	0.9
73.02930	0.3
75.00887	0.6
83.01393	0.6
85.02953	1.5
89.02452	0.3
93.03475	0.3
96.96089	0.2
98.20559	0.3
99.04526	0.3
101.02429	0.6
105.03445	0.3
107.01388	1.2
108.02200	0.5
109.02959	0.9
111.00861	0.5
113.02418	0.5
119.05014	1.6
121.02956	0.4
125.02423	0.4
129.01941	0.4
133.02934	2.8
134.03709	1.0
137.02405	0.3
145.02925	0.3
149.02415	0.8
151.00363	4.1
152.01154	1.3
153.01878	0.3
163.04045	0.5
175.04008	1.3
177.01877	0.5
179.03487	0.3
185.06126	0.3
187.03961	0.4
191.05609	0.3
193.05080	0.8
199.03947	1.0
201.01984	0.3
205.03497	0.5
209.06618	1.0
211.04071	0.2
217.04980	0.9
223.04486	1.1
227.03473	0.6
229.04950	0.4
239.03261	0.3
241.05020	0.6
243.02966	0.6
255.03027	1.8
256.03699	1.0
257.04507	0.5
267.02771	0.3
269.04456	1.5
270.04800	0.7
271.06079	3.8
272.06393	0.3
283.02475	0.4
284.03241	16.3
285.04010	100.0
286.04361	7.3
291.60040	0.3
297.04016	0.3
327.05069	0.6
389.17960	0.4
399.09439	0.3
447.09171	1.0
508.99536	0.3
554.63123	0.2
593.15051	47.4
594.15356	6.6
594.24829	0.4
755.20276	17.2
756.20776	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2032
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
57.03444	0.8
59.01361	1.6
63.02388	0.6
69.29713	1.3
69.30139	2.5
73.02956	0.7
75.00861	1.2
83.01379	0.9
85.02941	2.9
87.00879	0.6
89.02401	0.6
93.03436	0.5
96.95998	0.4
99.00841	0.5
100.81096	0.5
101.02460	0.5
106.88103	0.4
107.01389	1.7
111.00862	1.3
117.03457	0.9
117.30172	0.4
117.43948	0.4
119.05007	1.3
125.02421	1.3
129.01926	1.1
132.02202	0.5
134.03766	0.5
135.00862	0.6
137.02385	0.6
143.59290	0.4
151.00372	2.4
152.00996	0.5
163.00378	0.7
163.03951	1.4
165.05557	0.5
167.04941	0.4
175.04036	0.5
177.01797	0.5
179.05716	0.5
183.04497	1.2
185.05960	0.7
187.04002	0.7
191.01947	0.6
193.05055	0.5
195.05034	1.1
198.47653	0.4
205.03479	1.1
209.06606	1.0
211.03946	1.6
213.05579	0.5
223.04602	2.5
227.01329	0.8
227.03488	12.3
228.03929	1.1
229.05060	1.6
234.51454	0.4
239.03465	0.6
241.05083	0.5
255.02980	40.4
256.03543	4.9
257.04501	1.9
260.27054	0.4
269.04382	0.5
271.02557	0.7
283.02472	50.2
284.03226	47.8
285.04004	45.7
286.04407	4.0
297.04071	0.9
315.12802	0.6
326.04117	0.6
327.05017	1.5
341.08716	2.4
357.09949	1.0
399.09866	0.5
446.08633	3.5
447.09262	8.5
448.09406	1.0
593.15070	100.0
594.15399	14.8
635.16064	0.7
709.54126	0.6
755.20300	7.9
756.20490	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28881	0.5
55.01865	2.1
57.03158	0.7
57.03447	13.4
59.01374	5.8
64.07425	0.5
68.99806	1.0
70.67401	1.2
71.01370	5.2
72.99309	1.8
73.02962	1.0
75.00861	1.9
80.60698	0.6
81.63843	0.5
83.01368	2.9
84.02162	2.7
85.02947	100.0
86.03296	2.1
87.00880	1.5
101.02432	2.0
103.00363	1.1
106.83194	0.5
108.04517	0.6
111.00871	8.8
119.04988	0.8
125.02425	1.1
129.01929	12.3
133.01437	0.6
134.03741	2.6
145.01414	0.6
145.99109	0.6
147.02992	11.8
161.04623	0.6
163.03992	1.1
173.00864	2.5
173.04123	0.5
177.01862	0.9
178.02786	0.6
191.01967	59.4
192.02293	1.8
193.05022	2.2
195.67821	0.6
205.03497	9.3
206.03889	0.5
209.03004	33.8
210.03404	1.1
223.04578	26.3
224.04996	0.8
283.02710	0.7
284.03268	0.7
305.06747	0.6
307.47235	0.5
355.06671	5.3
367.06702	1.8
369.08185	5.3
370.08994	0.8
385.07690	21.1
385.12619	1.0
386.08264	1.3
399.09314	1.0
417.34909	0.6
437.39301	0.5
593.14899	1.3
594.15289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91314	0.1
59.01378	0.2
61.98827	100.0
62.98520	0.2
62.99250	0.1
71.01403	0.1
71.53936	0.1
80.96516	0.1
85.61040	0.1
89.02454	0.1
113.02503	0.1
117.03444	0.2
119.05038	0.2
121.02892	0.1
138.74806	0.0
145.02942	0.9
145.03996	0.1
148.90240	0.0
163.03992	0.2
209.11725	0.1
221.98642	0.1
252.89813	0.1
293.21283	0.2
294.21640	0.3
295.21939	0.1
339.23322	0.1
363.69818	0.1
378.17148	0.1
388.78693	0.1
398.13956	0.1
415.24860	0.2
417.15118	0.1
418.14987	0.1
433.25900	0.1
485.11066	0.1
507.29529	0.6
549.30908	0.1
754.34766	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.2
61.98826	100.0
62.98543	0.2
62.99256	0.1
63.99235	0.2
66.80490	0.1
68.13600	0.1
71.01397	0.2
80.96510	0.2
89.02435	0.1
93.65795	0.1
94.36474	0.1
94.54411	0.1
96.96021	0.2
97.91845	0.1
98.20651	0.2
101.02438	0.1
125.02437	0.1
159.54327	0.1
163.96764	0.1
171.10291	0.1
195.88237	0.1
209.11858	0.4
210.12189	0.1
211.13443	0.1
227.12827	0.1
293.21231	0.2
294.21640	0.3
295.22009	0.1
297.74844	0.1
303.34314	0.1
309.20822	0.1
335.89191	0.1
349.48550	0.1
397.13617	0.1
417.15076	0.1
477.80637	0.1
754.35028	0.2
755.34943	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	753.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.2
59.01374	12.2
60.91206	1.9
61.98829	37.4
69.03455	3.2
70.08896	8.9
71.01392	10.3
73.02932	2.0
75.00892	2.2
78.75531	1.7
78.95915	1.9
80.02592	1.7
83.01331	1.8
83.05017	3.4
85.02930	3.2
87.00874	3.4
89.02439	4.8
96.96001	2.4
97.06581	3.6
99.00909	2.1
101.02431	8.4
109.06562	1.8
111.08165	1.9
113.02478	3.6
125.02473	2.1
125.09707	2.5
126.95008	1.9
151.11255	2.4
153.12811	3.0
160.89178	1.9
161.04509	2.7
161.09775	2.8
163.11269	6.3
165.12820	6.5
169.12332	2.1
169.61032	1.7
171.10246	7.2
179.10735	4.3
181.12334	6.0
185.11789	2.8
191.10706	4.0
191.14439	2.5
194.50169	2.1
195.13945	2.3
197.11818	53.6
198.12126	3.2
207.10269	5.9
209.11812	100.0
210.12163	5.9
211.13385	10.5
225.11293	11.9
227.12863	20.9
228.13249	2.1
245.19055	4.1
253.09294	14.3
263.20056	5.5
269.04575	3.1
275.20224	2.3
283.06192	2.5
289.18051	19.9
290.18408	2.2
291.19589	7.3
293.21094	9.7
307.19135	35.3
308.19556	4.3
309.20685	3.7
326.86191	1.8
368.88412	2.3
430.32959	2.1
445.20831	5.9
456.93427	2.0
461.20224	3.6
516.65240	1.9
543.28149	3.9
753.40613	85.1
754.22174	2.7
754.41107	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	753.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.2
58.18714	1.5
59.01387	14.7
61.98829	100.0
70.78242	2.7
70.78594	3.7
71.01380	59.3
71.01780	3.4
73.02946	3.6
79.95757	2.6
80.02660	2.6
80.96530	3.4
81.03461	2.4
83.05007	4.6
85.02955	3.2
89.02435	2.8
94.98078	2.2
96.96019	5.2
97.02931	2.5
97.06593	2.2
99.00887	4.2
101.02439	5.2
109.06593	7.9
113.02423	2.4
125.02455	2.4
135.08145	2.6
158.69458	1.9
163.11264	10.4
165.12875	2.6
171.10242	15.6
181.12413	3.3
181.30940	1.6
185.11819	1.9
199.13304	2.4
201.11316	4.5
207.10231	27.0
209.11812	83.6
210.12169	5.1
218.71094	1.6
225.00795	3.0
225.11305	27.3
227.12875	9.9
235.08302	4.3
244.82526	1.7
249.11119	2.7
253.09343	6.3
268.99005	1.7
269.04584	2.9
283.06134	2.4
399.21762	3.2
417.22958	1.7
461.20148	5.5
635.30664	3.2
653.31958	3.9
671.33093	5.5
721.36304	2.9
753.33630	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	753.391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	15.0
61.98828	82.2
71.01379	74.0
71.53314	2.5
72.99322	2.1
73.02943	3.0
79.67635	1.6
79.95736	1.8
80.96494	7.7
81.03438	3.2
82.48587	1.6
83.01390	1.9
83.05032	5.8
84.02153	1.7
85.02945	4.6
87.00893	2.1
89.02447	2.7
89.19217	1.8
92.98955	1.7
93.03452	1.8
94.98077	1.9
95.04989	2.0
96.96008	7.5
97.02943	5.4
99.00877	2.7
99.87135	1.7
101.02440	7.7
109.06584	15.5
113.02498	2.5
125.02440	4.0
128.39694	1.6
135.08148	3.5
146.69722	1.6
161.04568	2.5
161.09706	2.4
163.11293	15.0
165.12851	3.9
167.03596	1.7
171.10275	17.5
181.12366	5.0
185.11842	2.2
191.10674	2.2
199.09801	1.9
199.13400	4.5
201.11348	6.0
207.10240	40.6
208.10686	1.9
209.11815	100.0
210.12114	6.5
225.00697	2.5
225.11316	29.9
226.11617	2.1
227.12889	13.9
228.13368	2.8
235.08208	4.2
243.12358	4.6
253.09258	10.2
269.04483	3.2
399.21805	3.5
436.69284	1.8
461.20233	7.1
462.21240	1.7
555.94476	1.8
609.29657	1.9
635.30640	5.2
653.31183	2.8
671.32703	10.3
672.32898	3.6
721.36072	4.4
753.32745	11.5
754.34021	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	753.2235
Annotation	Acacetin 7-O-[2'''-O-rhamnosyl-2''-O-glucosylglucoside
Peak:m/z	Relative Intensity
55.39034	0.0
57.03429	0.1
58.00577	0.1
59.01376	1.3
62.19645	0.0
63.02121	0.1
63.02388	0.2
65.00341	0.3
68.99796	0.1
69.35840	0.3
69.36263	0.2
71.01375	0.9
72.99281	0.1
73.02936	0.3
73.46551	0.0
83.01371	0.1
83.60758	0.0
85.02936	0.3
87.00859	0.1
89.02438	0.6
95.01336	0.1
101.01806	0.1
101.02441	0.9
101.82962	0.1
103.03963	0.2
107.01390	0.3
113.02410	0.2
117.03486	0.2
119.03485	0.6
125.02399	0.2
130.17732	0.0
131.03458	0.1
143.03470	0.1
148.01689	0.1
149.99553	0.1
151.00339	0.5
161.04509	0.1
163.06119	0.5
171.04489	0.2
172.05247	0.2
179.05502	0.1
184.05173	0.1
195.04489	0.2
196.05258	0.1
199.03918	0.1
200.04712	0.2
205.07254	0.3
211.03940	0.4
212.04709	0.2
221.06731	0.4
224.04710	0.1
239.03433	0.8
240.04263	1.5
241.04668	0.1
252.04358	0.1
267.02930	0.6
268.03735	59.3
269.04080	4.9
269.07144	0.1
281.04520	0.2
282.05157	0.1
283.06094	100.0
284.06421	8.7
289.09515	0.1
290.05783	0.1
305.08136	0.3
325.07172	1.0
326.07535	0.1
338.92078	0.1
349.07404	0.3
367.08353	0.4
434.26001	0.1
445.11517	0.1
487.12744	0.2
753.22351	1.2
754.22723	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.7
63.02391	1.4
65.00328	0.7
71.01390	1.0
72.99287	0.2
75.00877	0.9
85.02949	1.0
87.00885	0.5
88.68476	0.2
93.03452	0.4
95.01385	0.2
98.20666	0.4
99.00900	0.3
107.00749	0.2
107.01364	1.3
108.66706	0.2
113.02457	0.7
116.40112	0.2
117.03470	3.0
135.04500	0.2
145.37468	0.2
146.43289	0.2
147.99664	0.2
149.02420	0.8
151.00354	0.7
159.04507	0.9
159.05681	0.2
161.02432	0.6
169.06602	0.4
181.06546	0.3
183.04498	0.7
187.99147	0.2
196.05327	0.2
197.06076	0.7
201.05586	0.4
224.04799	0.6
225.05508	1.2
227.03424	0.5
268.03677	0.2
269.04532	100.0
270.04865	7.1
289.19370	0.2
318.63147	0.2
325.94016	0.2
483.13525	1.7
506.90018	0.2
753.18781	8.0
754.19031	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
57.03437	2.5
58.00587	1.0
59.01377	14.7
61.98829	7.5
65.08612	0.7
68.34922	0.8
69.03453	4.8
70.37442	2.4
71.01370	11.8
71.05006	1.0
72.99292	0.7
73.02929	3.5
80.02675	0.9
81.03455	2.4
81.62969	0.7
83.01374	1.1
83.05029	8.0
84.02200	0.8
85.02950	5.8
85.26050	0.7
87.00864	2.4
89.02447	7.3
93.03466	1.0
95.01364	1.3
95.05016	5.0
97.02948	2.8
97.06602	1.0
99.00851	1.0
99.04510	0.9
101.02439	7.7
109.06590	2.7
110.03725	1.3
111.04503	1.0
111.08158	10.3
113.02445	6.9
113.09730	0.9
119.03495	1.9
123.04498	1.1
123.08157	2.1
125.02432	1.2
125.11816	0.7
135.11784	1.1
137.09708	1.1
139.11319	0.8
143.03477	0.9
145.05063	1.1
149.04015	0.6
149.09721	2.3
153.12865	1.1
158.18138	0.7
161.04520	4.6
167.10777	7.3
168.11201	0.9
171.10237	2.9
175.11256	2.5
177.12831	9.7
179.05670	2.0
179.10851	3.4
179.12183	0.7
179.14417	3.9
181.12262	1.1
183.13860	1.5
193.12302	2.3
195.12076	1.3
195.13890	27.7
197.11794	5.1
203.10742	2.4
205.12318	10.9
211.13368	9.3
221.11807	56.0
221.69431	0.7
222.12198	4.1
223.13374	100.0
224.13693	6.3
231.21078	1.2
235.08183	8.7
239.12866	85.3
240.13080	5.0
247.20589	1.7
253.09264	29.9
254.09624	1.7
256.13077	1.3
273.18610	2.1
275.20157	7.3
276.20178	0.8
291.19638	94.1
292.19962	8.9
293.21204	88.0
294.21490	9.2
309.20709	1.0
457.20685	4.2
459.22473	3.8
475.21777	10.0
476.22290	1.4
497.32718	1.1
527.28717	1.2
682.34607	0.8
733.42139	1.2
751.42419	10.2
752.42780	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	752.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.0
61.98829	100.0
68.70713	0.2
71.01385	0.7
72.68050	0.2
73.02957	0.2
78.73547	0.2
78.95886	0.2
80.96508	0.3
84.36374	0.2
89.02448	0.4
96.96033	0.3
98.19791	0.4
101.02436	0.3
109.06627	0.3
113.02443	0.3
125.02416	0.2
126.19366	0.2
171.10246	0.3
185.11841	0.2
202.70174	0.2
207.10266	0.3
209.11891	0.9
210.12236	0.3
211.13422	0.6
211.15512	0.2
212.13701	0.3
225.11383	0.5
269.04538	0.3
272.22256	0.2
291.19891	0.3
292.20001	0.3
293.21130	1.4
294.21622	1.1
378.25473	0.2
397.13489	0.6
398.13678	0.3
410.91690	0.2
415.14655	0.4
416.15082	0.4
584.07825	0.2
607.19257	0.2
633.40112	0.2
753.33502	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08517	0.3
56.45104	0.3
57.03443	1.1
59.01373	6.1
61.79671	0.3
61.98835	1.1
69.03463	3.0
71.01378	4.7
71.05025	0.6
73.02938	0.9
80.65884	0.3
81.03480	0.5
83.01377	0.6
83.05028	1.1
85.02952	1.5
85.06602	0.4
87.00867	0.8
89.02446	3.5
95.01386	0.5
95.05005	0.8
97.02952	1.7
97.06606	0.7
98.20341	0.4
99.00864	0.5
101.02457	3.6
109.06597	0.9
111.08150	5.8
113.02454	1.5
116.10752	0.3
119.03487	1.0
120.69449	0.4
123.08151	0.4
125.02514	0.3
125.09694	1.2
137.09702	0.6
145.05107	0.5
149.09691	0.4
153.09196	0.5
161.04570	2.2
161.13367	0.4
163.11295	0.7
165.12828	1.5
167.10745	2.5
169.12315	2.7
171.10239	1.8
177.12776	0.8
179.05537	0.9
179.10767	1.4
179.14391	4.4
181.12311	0.6
187.11226	0.4
193.12282	0.5
195.13896	9.0
196.14270	0.7
197.11816	31.8
198.12175	2.0
198.31746	0.3
199.13326	1.4
205.12321	8.4
206.12721	0.5
207.10327	0.6
209.11832	1.2
211.13376	4.2
221.09801	0.3
221.11848	0.5
221.14983	0.4
223.13376	100.0
224.13719	6.5
225.11395	0.7
227.12871	1.0
235.08200	4.7
247.20651	0.8
253.09261	15.2
254.09549	0.8
263.20145	1.3
265.18085	1.0
273.18591	0.6
291.19629	20.2
292.19980	1.7
293.21277	0.4
307.19095	0.4
309.20682	55.4
310.21005	6.3
314.03305	0.5
405.20334	0.4
433.20917	1.0
441.21301	1.0
459.22354	11.5
460.22604	1.3
515.33679	0.9
527.28125	0.7
545.29614	2.2
702.76239	0.4
741.31018	0.4
751.42712	1.5
752.42371	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	15.6
61.98830	100.0
69.95919	5.0
71.01385	14.4
73.02960	2.0
76.82095	1.2
83.01348	1.5
85.02950	3.4
87.00883	1.9
88.98804	1.3
89.02439	10.8
96.96015	3.1
99.00831	1.1
101.02439	7.9
105.71754	1.3
106.75339	1.1
113.02443	5.9
119.03524	3.0
125.02442	4.0
136.64146	1.2
142.62253	1.1
143.03433	2.1
161.04614	1.7
179.05548	2.2
195.13884	6.8
209.11838	6.9
211.13390	5.8
223.13351	4.7
227.12849	2.2
235.08177	2.8
253.09154	1.8
275.20175	4.8
293.21225	95.6
294.21564	8.7
309.17139	1.3
397.13486	30.5
398.13776	3.4
415.14551	35.7
416.14743	2.8
497.52890	1.4
501.51599	1.4
691.35663	5.3
707.38513	3.6
711.09747	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13282	0.2
58.53296	0.2
59.01382	1.9
61.98827	3.3
65.80254	0.2
69.22198	1.9
69.64330	0.2
70.02174	0.2
71.01369	1.6
72.99303	2.8
75.00869	100.0
76.01213	1.1
76.94435	0.2
83.01364	0.3
85.02946	0.3
87.00883	0.3
89.02450	1.3
89.26505	0.2
90.73550	0.2
101.02459	1.1
113.02448	0.4
121.80289	0.2
125.02451	0.3
143.03499	0.2
147.01801	0.2
161.04555	0.3
167.91322	0.2
171.10269	0.9
179.05627	0.5
207.10234	0.2
211.13278	0.3
223.13449	0.3
225.11301	0.5
235.08238	0.7
247.48314	0.2
253.09296	0.3
277.21716	3.2
278.21988	0.3
287.07693	0.2
293.21152	1.2
305.08847	0.4
309.20703	0.2
330.01810	0.2
390.47058	0.2
397.13452	7.3
397.18497	0.4
398.13898	0.5
415.14551	2.4
416.14581	0.3
492.17551	0.2
510.73676	0.2
538.69513	0.2
585.16766	0.2
606.15631	0.2
633.51477	0.2
723.78558	0.2
728.87128	0.2
751.39221	0.3
752.25623	0.3
752.39929	0.2
759.94360	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29843	0.3
57.90577	0.3
59.01374	2.2
61.98830	1.8
71.01385	1.9
71.19725	0.5
71.99450	0.3
72.99310	2.8
75.00870	100.0
76.01208	0.8
80.64114	0.3
85.02950	0.5
87.00874	0.3
89.02438	1.5
95.01408	0.3
101.02436	1.5
109.06606	0.3
113.02448	0.7
119.03498	0.5
125.02390	0.4
143.03542	0.3
161.04623	0.4
172.31474	0.2
179.05551	0.5
190.89204	0.3
197.11844	1.3
207.10287	0.5
211.13455	0.4
223.13347	1.7
225.11354	0.7
235.08276	0.9
251.16472	0.3
253.09325	0.8
277.21719	4.1
278.22086	0.4
289.18106	1.1
290.18668	0.4
291.19614	1.3
293.21161	1.5
309.20755	0.7
330.40002	0.4
397.13486	9.6
397.18500	0.7
398.13907	0.8
415.14590	3.4
443.44788	0.3
675.35211	0.5
724.04358	0.3
751.39063	2.1
752.39746	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.9
57.03162	1.0
57.03444	15.5
59.01372	2.4
67.01871	1.1
71.01375	9.8
72.99304	2.2
73.02938	2.7
75.00863	2.3
83.01388	10.8
84.02166	2.0
85.02944	100.0
86.03281	1.6
87.00881	1.3
96.66197	0.9
101.02438	7.7
111.00878	36.6
112.01218	1.1
114.31647	0.8
119.05014	8.4
125.02382	0.9
129.01941	45.8
145.02924	1.6
146.08194	3.3
147.03014	1.7
161.04568	3.9
163.04031	7.7
187.02472	3.9
191.01894	2.0
205.03506	49.9
206.03792	2.5
209.03192	1.0
218.10185	0.8
223.04570	96.4
224.04927	3.5
287.91364	0.8
291.73123	0.9
369.08224	57.1
370.08508	4.5
380.15631	10.8
388.91745	0.9
515.97278	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98017	0.7
61.98838	0.9
63.96233	1.7
71.01385	8.9
71.27126	1.1
71.27480	0.9
73.02945	1.8
78.95893	2.4
78.98588	7.4
79.95277	1.5
79.95731	16.5
80.96516	87.0
85.02937	3.5
87.00868	2.7
94.97491	1.1
94.98088	17.9
96.96019	1.4
97.02945	1.8
101.02423	2.7
106.98074	4.0
108.33043	0.7
116.92786	0.8
120.11725	1.0
122.97592	6.4
125.02452	3.9
127.36910	0.8
134.97597	5.4
136.99104	1.8
148.99115	7.1
150.84030	0.7
152.98601	6.4
152.99611	1.0
164.98608	12.7
190.92947	0.7
197.36212	0.8
206.99609	2.4
209.11758	0.8
211.13345	1.8
225.00720	22.0
226.00899	1.0
230.57884	0.8
255.23285	5.0
277.21774	4.3
293.21185	0.7
493.17502	3.2
537.27502	1.0
544.63599	0.9
749.41455	100.0
750.41571	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	749.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97955	0.7
55.01874	0.8
57.03432	1.2
58.00599	1.2
59.01379	24.9
60.59930	0.6
61.98830	14.4
64.78893	0.7
67.65456	0.8
69.03445	1.4
69.88580	4.0
71.01382	19.3
72.99317	1.2
73.02949	3.5
75.00861	1.3
77.34830	0.7
77.89597	0.7
81.03436	1.0
83.01394	2.1
83.05010	1.2
85.02937	3.3
87.00905	3.8
88.98807	0.9
89.02440	14.0
89.58820	0.8
95.01421	1.0
97.02948	2.3
99.00883	1.6
101.02434	13.4
101.95455	0.8
111.08145	7.5
113.02438	7.0
115.49050	0.7
118.83563	0.7
119.03510	4.0
121.02984	0.9
125.02467	5.1
137.09708	0.8
139.72292	0.7
143.03477	2.0
159.18768	0.8
161.04536	2.5
163.11298	1.2
167.10753	1.8
169.12314	0.9
171.10320	1.3
177.12817	1.1
179.05559	2.6
179.10754	2.0
184.36589	0.7
195.13893	5.1
197.11832	5.0
199.13336	0.8
207.10262	1.6
209.11813	15.1
210.11980	1.1
211.13362	11.3
219.94263	0.9
225.11359	1.7
227.12862	5.7
235.08182	5.5
235.55829	0.9
247.20607	2.3
253.09253	2.9
263.20123	0.9
273.18692	2.6
287.07639	1.2
290.85199	0.7
291.19644	100.0
292.19977	9.9
305.08698	0.7
397.13480	49.7
398.13901	4.4
415.08954	1.3
415.14551	25.3
416.15021	2.2
417.23456	1.1
445.20255	0.9
447.21725	0.9
652.95911	0.9
689.33820	17.4
690.34387	3.1
749.29755	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07499	0.9
57.03436	3.5
58.59798	1.1
59.01371	9.7
71.01377	7.8
71.52863	1.3
72.99289	1.6
75.00867	22.2
78.46298	1.0
83.01392	2.4
85.02951	9.0
87.00872	6.9
87.42809	0.8
89.02431	3.5
99.00864	3.3
101.02435	2.2
111.00890	1.3
113.02396	1.6
119.05032	21.2
125.02464	1.1
129.01949	15.3
135.04494	1.4
145.03004	4.9
153.47462	0.9
159.03030	5.2
160.04024	4.8
161.06029	2.0
163.03999	31.4
164.04301	1.5
167.03453	2.3
177.04030	38.0
179.05623	4.8
193.51971	1.0
195.05086	73.0
196.05333	2.7
205.05103	1.7
259.31406	1.0
300.98544	1.1
323.07632	2.0
341.08716	100.0
342.09122	10.4
364.10483	3.2
430.76337	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	21.6
61.98843	6.3
63.46394	2.8
70.69905	3.6
70.70239	5.7
71.01363	16.8
85.02937	3.9
89.02431	16.3
101.02422	11.9
102.54867	3.0
113.02419	8.3
119.03486	12.5
147.78694	2.9
179.05556	8.1
223.49654	3.1
225.22250	3.5
239.01546	3.0
255.23277	3.9
532.46924	15.0
533.48206	3.4
550.48523	7.3
712.53558	100.0
713.53986	25.2
748.51605	34.2
749.51422	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	747.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16102	3.7
59.01392	17.1
71.01373	18.4
71.52075	3.6
72.99315	5.7
75.00874	24.1
85.02940	23.4
87.00874	5.7
89.02454	4.2
91.67561	3.5
99.00876	11.6
113.02481	20.9
116.34844	3.3
117.01958	5.3
157.57742	3.3
163.11243	4.3
200.94075	2.9
209.11801	39.0
255.23268	100.0
256.23633	10.1
635.24561	4.1
715.42773	89.3
716.42896	16.3
747.45270	79.3
748.45477	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.5
60.21130	0.3
61.98827	100.0
70.89637	0.5
75.00871	1.1
78.95933	0.5
96.96001	0.3
109.91924	0.3
125.02439	0.6
211.13435	0.6
223.13364	0.7
317.66428	0.4
322.26440	0.3
337.84000	0.3
400.21484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03454	0.5
59.01376	100.0
60.01717	1.3
69.77331	1.3
69.85108	0.3
71.01376	10.8
72.99306	0.4
73.02946	4.7
75.00867	1.8
83.01373	2.3
84.02171	0.6
85.02940	4.8
87.00866	0.6
89.02448	1.3
94.38071	0.2
95.01397	0.9
97.02988	0.3
99.00878	1.5
99.04531	0.6
101.02440	8.7
107.65566	0.2
113.02442	5.0
114.02811	0.3
116.37336	0.2
119.03455	0.3
119.05025	1.1
123.04640	0.2
125.02447	0.4
129.01979	0.5
135.56593	0.2
143.03508	0.5
145.03004	0.3
149.04518	0.4
151.00459	0.3
159.03033	0.8
161.04546	5.1
163.04024	1.0
179.05502	0.3
191.05585	1.4
202.55084	0.3
209.06616	3.8
229.04953	2.0
269.10272	9.9
270.10635	0.7
287.15033	0.3
305.16086	0.9
311.11328	8.8
311.14896	0.5
312.11752	0.9
347.17075	1.5
355.10315	4.7
356.10522	0.4
391.10480	0.5
391.23279	1.7
516.97375	0.3
537.21814	0.3
694.84558	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
57.03445	0.9
59.01377	100.0
59.28234	0.3
60.01719	1.1
61.40646	0.3
65.36433	0.3
69.28955	2.3
69.29359	0.5
71.01381	10.6
71.01784	0.5
73.02943	3.6
75.00880	0.5
83.01382	1.5
85.02946	5.3
85.03411	0.5
87.00905	0.8
89.02460	1.1
95.01400	1.0
99.00861	1.7
101.02440	7.8
102.07229	0.3
113.02448	4.0
119.03529	0.4
119.04958	0.3
125.02443	0.5
143.03490	0.7
157.78053	0.3
159.02997	0.7
161.04552	4.9
163.03972	0.5
209.06660	0.5
231.08914	0.3
269.10291	11.1
270.10718	0.6
311.11325	10.4
312.11862	0.7
336.84106	0.3
355.10413	1.5
379.96820	0.4
389.21799	5.0
390.21887	0.5
480.98520	0.3
522.57031	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05223	0.6
57.03439	0.8
59.01375	16.5
59.74113	0.5
61.98819	3.6
66.93516	0.5
69.03439	2.0
71.01377	2.9
73.02950	0.6
85.02950	0.9
87.00872	0.7
89.02426	2.3
95.01421	0.6
101.02430	2.5
113.02432	1.0
119.03484	0.6
125.02438	1.3
148.45206	0.5
159.10196	0.8
161.04541	1.3
165.12798	0.9
167.10770	1.8
169.64503	0.6
171.10330	0.9
177.12837	0.7
179.05605	0.9
179.10736	1.0
179.14377	2.1
183.13849	5.8
193.12344	1.6
195.13884	8.5
205.12337	8.7
206.12822	0.7
211.13379	100.0
212.13687	5.5
223.13379	79.7
224.13736	5.1
231.64960	0.5
235.08180	4.0
253.09282	6.4
281.24945	0.8
399.25253	1.2
417.26468	1.5
429.21304	1.1
441.21219	3.7
447.22290	8.4
448.22797	1.1
459.22339	15.7
460.22534	1.6
509.29105	0.9
609.33051	1.3
635.34259	6.0
636.34479	1.6
653.35303	9.0
654.35535	1.9
710.23572	0.7
775.68817	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.7
61.98825	3.3
69.41795	2.0
69.42207	1.4
71.01379	7.6
72.99309	0.7
73.02938	0.7
85.02937	1.8
87.00902	0.6
89.02430	6.6
93.03463	3.8
95.01372	0.9
101.02438	3.7
105.40569	0.6
108.02153	0.8
109.02962	0.9
113.02438	2.9
119.03480	2.9
121.02935	5.9
122.03736	11.4
122.15414	0.5
123.00870	0.9
124.01611	0.8
125.02449	1.0
131.03519	0.9
133.02994	1.1
135.04555	0.8
136.01654	10.7
137.02505	2.3
143.03490	0.8
145.02962	1.0
149.02431	16.1
149.04422	0.6
150.03215	88.3
151.00395	3.2
151.04015	13.0
152.01175	0.8
161.02449	1.2
161.04570	0.7
162.03177	2.5
163.03928	0.6
164.04803	2.9
165.05551	97.1
166.02708	8.3
166.05917	4.6
167.03484	0.7
175.03944	0.8
177.05576	2.0
179.05600	1.6
180.04272	6.5
181.05023	11.6
189.05576	0.7
190.06262	1.3
195.06609	100.0
196.06937	6.6
290.25754	0.6
342.10880	0.8
357.09592	2.7
357.13351	7.9
358.13751	0.9
372.12015	1.8
387.14441	30.0
388.14804	3.0
497.34534	0.5
535.19757	3.2
536.20203	0.7
553.20667	1.6
565.20575	0.7
583.21808	25.3
584.22052	5.5
642.66193	0.6
656.24329	0.5
773.58490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.8
59.01379	6.9
61.71503	0.6
61.98827	6.6
71.01376	5.0
72.99310	1.0
75.00880	0.7
78.95942	0.9
85.02969	2.4
87.00816	0.7
89.02441	5.7
93.03445	3.9
93.86816	0.6
95.01414	1.6
101.02451	2.2
105.03492	1.0
108.02192	1.5
109.02950	1.6
113.02472	3.1
117.40269	0.8
119.03487	3.0
120.01234	1.0
121.02939	11.9
121.03748	0.8
121.06605	1.2
122.03738	15.5
123.00866	1.3
123.04544	1.9
124.01668	1.6
125.02462	1.0
133.02942	2.6
134.03758	1.4
135.04518	8.4
136.01663	19.5
137.02457	4.6
139.04004	1.2
145.02948	1.1
147.04509	1.1
149.02428	29.8
149.03636	1.5
149.06012	1.2
150.03221	97.7
151.00372	4.0
151.04018	22.9
152.01143	2.8
153.05608	0.8
160.01732	0.8
160.05280	1.3
161.02440	1.0
161.05952	1.4
162.03214	1.2
163.04044	4.2
164.01060	0.7
164.04785	7.8
165.05557	100.0
166.02695	16.0
166.05826	4.8
167.03484	4.6
168.03911	0.7
172.05247	1.7
173.06078	0.6
174.03139	0.8
175.03996	5.4
175.07607	1.1
177.01921	1.4
177.05565	2.6
179.05591	1.0
179.07117	0.9
180.04240	6.5
181.05048	20.1
182.05414	1.1
187.07558	0.8
189.05548	4.2
190.06326	6.3
191.03465	0.9
195.06613	63.4
196.06958	4.1
205.08644	1.6
221.08035	1.1
268.03714	1.1
281.08188	0.8
282.05219	1.5
283.06116	5.4
297.07614	1.2
309.07706	0.9
315.08624	2.4
324.09976	0.7
325.07047	1.4
325.10443	1.0
329.10214	3.0
329.13696	0.7
339.08530	1.3
340.12924	1.0
342.10828	2.1
355.11658	1.6
356.03436	0.7
356.12500	2.4
357.09531	5.5
357.13300	8.7
369.13126	2.9
372.11850	3.7
373.12479	2.1
385.12558	0.9
386.13470	2.6
387.14456	50.8
388.14691	7.9
490.16022	1.4
505.19003	3.9
517.18414	1.1
535.19684	64.5
536.20117	12.0
553.19696	2.3
565.20679	3.8
583.21808	52.7
584.13696	1.1
584.22034	12.6
685.40479	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	8.1
61.98824	10.1
68.99579	1.4
71.01382	2.5
81.54608	0.9
89.02453	2.4
101.02444	2.3
113.02444	1.2
116.92805	1.2
125.02370	0.9
127.11217	1.1
163.13000	0.8
171.10251	100.0
172.10631	4.7
195.13847	5.1
209.11803	1.0
223.13380	3.4
235.08257	4.7
253.09254	14.2
275.20163	8.0
293.21207	60.1
294.21466	5.8
407.19095	4.5
447.30887	0.9
501.52594	1.0
506.02850	0.9
529.30127	2.8
553.19482	1.3
563.42651	0.8
622.03412	0.9
627.21130	0.9
629.20831	6.0
630.21637	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01714	0.9
61.98831	0.6
64.20198	0.3
71.01375	5.5
72.99315	0.8
73.02957	1.3
75.00867	9.0
83.01387	1.6
84.02161	1.6
85.02943	3.2
87.00897	1.0
89.02450	1.9
93.03475	0.4
95.01415	0.4
99.00913	0.8
99.04509	1.6
101.02452	4.4
111.00914	0.9
113.02446	2.7
119.03461	0.7
119.05066	1.0
125.02503	0.3
134.03757	1.2
138.01991	0.7
151.00400	1.0
159.02966	0.4
161.04590	2.3
163.04065	1.4
163.11279	1.5
163.20384	0.4
179.05653	1.0
181.04953	0.3
191.05641	0.9
193.05008	1.7
209.06641	22.7
210.07068	1.1
258.37537	0.4
269.10281	2.5
311.11407	6.1
355.10217	3.0
356.10733	0.5
356.20953	0.4
376.55057	0.3
387.11606	1.0
387.16559	18.7
388.16843	1.9
437.03680	0.4
513.73077	0.4
591.15839	0.7
743.22192	1.2
744.20245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72873	0.6
55.01868	0.8
57.03443	3.0
59.01378	19.3
69.93115	2.5
71.01380	5.9
72.99301	1.8
73.02911	0.7
75.00470	1.3
75.00869	16.9
83.01391	1.1
84.02162	20.6
85.02946	8.3
87.00883	1.7
89.02431	4.3
95.01399	0.7
99.04517	10.9
101.02429	5.0
101.58056	0.6
111.00861	2.5
113.02450	2.6
117.02504	0.6
117.88566	0.7
119.03564	2.1
119.05022	60.8
120.05358	1.8
125.02449	4.3
129.01952	4.6
134.03743	2.3
135.04472	0.8
137.02473	0.7
143.03543	0.7
145.02919	0.8
149.04543	0.8
153.03033	2.2
161.04520	1.3
163.03995	100.0
163.11270	12.5
164.04332	5.6
165.04065	2.0
173.04489	0.8
177.04071	1.6
179.05576	2.1
191.05589	7.2
193.05022	5.0
195.05080	4.0
196.05443	0.8
205.03458	3.2
209.06638	52.7
210.07025	2.4
223.04573	7.5
285.04022	0.8
311.07629	1.7
341.08478	1.5
342.08844	1.4
343.08960	0.9
355.10291	46.0
356.10623	3.7
369.08264	1.0
371.09518	0.8
387.16571	59.1
388.16965	6.3
726.54700	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.5
59.01113	0.7
59.01377	6.8
71.01379	8.7
71.53139	0.8
72.99307	1.9
73.12555	0.5
75.00874	15.8
83.01363	0.7
84.02140	1.1
85.02950	7.3
86.45345	0.5
87.00875	5.7
89.02447	2.1
97.02944	1.1
99.00337	0.5
99.00896	3.3
101.02429	1.5
111.00885	1.2
113.02407	0.7
115.71312	0.5
117.03444	2.2
119.05032	1.2
119.20731	0.6
125.02419	1.1
129.01939	11.0
134.03737	29.8
135.04106	1.7
138.03223	1.3
141.01938	1.1
149.06078	2.7
153.05579	0.7
159.03043	3.2
159.04222	0.8
160.01657	1.2
163.03979	1.0
167.53799	0.6
175.03949	2.9
176.04828	1.0
177.04036	33.4
178.02664	1.2
178.04417	1.0
191.07118	1.1
193.05038	29.5
194.05373	1.1
195.05087	26.6
196.05377	0.7
197.32477	0.5
209.06648	2.6
221.04486	0.5
235.06119	0.7
258.97665	0.5
259.06168	0.6
295.08350	0.7
297.63110	0.5
353.08807	1.6
371.09796	100.0
372.10159	8.0
385.11530	0.9
387.16638	0.9
616.29694	0.6
743.20306	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95728	1.1
57.03453	1.9
59.01379	7.5
61.98827	7.5
69.03446	1.2
71.01376	4.4
71.53961	2.0
72.04595	1.1
77.50055	1.2
78.95905	1.6
83.05025	1.3
87.00881	1.6
88.98767	1.2
89.02449	2.9
97.02938	1.8
97.06614	6.0
101.02437	4.1
111.08112	2.3
113.02444	3.8
119.03517	1.2
137.25638	1.1
141.72537	1.1
143.26752	1.2
151.00310	1.6
151.04015	3.2
151.11278	15.2
165.12779	1.4
167.10738	1.1
169.12334	67.2
170.12584	2.4
171.10303	2.6
181.12183	1.1
192.29164	1.3
195.10201	2.2
197.11830	9.4
209.11824	1.7
211.13348	3.3
213.11302	8.7
253.09222	3.0
291.19730	6.6
309.20676	6.1
431.19498	2.7
449.20313	4.1
723.39581	1.4
741.40710	100.0
742.40979	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.9
61.98834	12.1
69.19455	12.2
69.19875	4.9
71.01375	5.3
72.49760	1.8
77.32571	1.7
78.72379	1.6
79.95705	2.1
80.96524	4.6
85.02942	3.6
94.98120	2.1
96.96048	3.1
99.00877	3.0
101.02435	3.0
108.63812	1.7
119.03491	1.7
140.16460	1.9
150.06833	8.4
163.07651	2.2
163.11259	1.8
170.43620	1.7
188.45940	2.0
207.10345	1.8
209.11816	100.0
210.12164	7.4
225.00847	2.0
225.11002	2.1
227.12865	24.5
235.08368	2.1
236.08574	2.2
253.09253	3.7
313.07208	2.4
395.02240	2.2
445.20779	9.8
463.22287	2.4
493.35406	11.2
494.35443	2.4
637.31738	2.7
655.32880	2.1
737.91187	1.9
741.34253	36.8
742.34021	9.7
753.23792	2.3
771.23358	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	741.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.6
59.01374	8.2
61.98819	6.2
63.52332	0.9
68.92136	1.0
71.01373	4.8
71.03159	0.9
71.53407	1.2
73.02926	1.4
76.31709	1.0
78.95872	1.4
85.02939	3.3
87.91686	0.9
89.02428	2.2
96.95995	1.1
97.06583	6.5
101.02419	3.8
102.12354	1.0
111.08147	4.9
113.02402	2.3
132.95096	1.1
151.11269	13.1
161.04468	1.5
169.12331	69.0
170.12686	3.0
183.13870	1.7
185.11815	1.5
195.10155	2.3
195.85539	1.2
197.11810	22.0
198.12137	1.7
199.13251	1.8
209.11850	2.2
211.13365	4.3
213.11293	9.0
217.89012	1.1
227.12984	1.5
253.09232	4.5
253.21765	1.1
263.20056	2.1
277.21756	2.2
277.86368	1.0
291.19553	3.2
293.21225	1.7
294.21652	1.6
295.21725	1.2
309.20624	6.6
372.75684	1.1
383.60065	1.3
431.19183	2.0
449.20297	3.4
505.25665	2.3
741.40576	100.0
742.40887	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	741.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	75.6
60.10224	9.7
61.98825	100.0
71.01362	36.9
71.03878	9.5
71.53227	12.4
72.99278	11.4
78.95898	16.3
83.04992	8.9
84.17136	9.3
86.83161	10.8
89.02475	23.3
96.95996	22.8
99.00903	11.6
101.02436	20.8
120.25520	10.0
121.02810	10.9
124.33772	8.7
130.95596	9.0
163.07605	13.4
175.04036	10.2
209.11772	30.6
211.13440	24.4
225.11137	12.1
238.30270	11.4
257.75876	11.7
263.20135	12.4
275.79257	13.0
307.19159	59.6
397.13327	44.9
406.85468	8.9
415.14456	31.9
537.30554	26.1
568.20190	12.4
607.25897	49.3
705.33466	39.1
741.31024	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.2
57.03447	11.6
59.01384	4.1
68.99812	1.3
71.01380	7.5
71.53274	1.0
72.99299	1.7
73.02937	1.0
75.00869	7.3
83.01379	6.8
84.02169	1.8
85.02946	72.3
86.03294	1.5
87.00885	1.7
96.96003	5.8
98.51109	0.7
99.00894	1.9
101.02433	6.1
103.03985	0.8
105.59310	0.8
111.00875	28.6
117.03480	1.2
119.05026	7.6
125.02445	2.4
129.00972	1.6
129.01939	31.7
130.02284	0.8
134.03740	8.4
137.02463	0.8
143.03403	0.9
145.03032	1.0
147.02968	3.0
149.06046	0.8
159.02992	1.8
159.71103	0.8
161.04562	3.3
163.04018	5.8
164.04218	0.8
177.03996	2.5
178.02730	1.3
179.05629	0.8
187.02475	1.9
191.01917	6.4
193.05049	9.7
195.05104	14.2
203.14957	0.7
205.03513	39.3
206.03897	2.5
209.02975	3.8
209.06636	0.9
209.51495	0.7
223.04573	100.0
224.04839	6.0
225.05142	1.6
341.08789	5.8
357.09641	2.0
369.08243	19.8
370.08600	2.8
371.09723	7.8
397.80386	0.8
399.09277	4.8
478.50146	0.8
535.14508	1.4
570.57446	0.7
657.58765	0.8
741.19244	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.3
57.03443	12.5
59.01378	8.3
61.98816	0.8
67.01893	1.1
68.99777	1.4
69.56454	6.0
71.01382	12.8
72.99305	2.7
73.02940	2.8
75.00867	13.8
77.96944	0.8
83.01391	7.5
84.02155	3.1
85.02947	81.6
86.03308	1.5
87.00395	0.7
87.00870	3.9
89.02439	2.4
89.50389	0.8
90.05747	1.0
93.03424	1.2
96.96004	3.1
99.00870	2.4
101.02420	7.9
109.02907	1.4
111.00873	31.8
112.01196	1.3
113.02450	1.8
119.05013	7.1
123.04557	1.2
129.01935	45.0
130.02231	0.9
134.03740	10.2
137.02475	1.8
143.05019	1.0
145.02989	1.4
145.95236	0.8
147.02974	3.2
149.06024	1.3
152.01132	1.2
159.02968	3.8
161.04526	2.9
163.04001	9.0
177.01813	1.0
177.04013	9.3
179.05551	1.2
187.02438	2.5
191.01993	1.8
193.05028	6.1
195.05087	32.9
196.05334	1.2
205.03511	48.1
206.03775	1.3
209.06700	3.3
223.04575	100.0
224.04814	3.5
226.06287	1.0
241.08678	1.4
337.14856	1.2
341.08722	21.7
342.09012	1.7
357.09695	9.2
371.09720	1.9
399.09302	20.0
400.09848	1.4
535.14484	3.5
741.18231	6.4
742.20007	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48208	1.3
55.01873	2.0
57.03442	17.7
59.01372	7.0
71.01380	12.5
72.64647	1.3
72.99312	2.7
73.02945	2.5
75.00867	31.0
83.01382	7.4
84.02162	2.5
85.02946	70.6
86.03294	2.2
87.00862	4.7
89.02441	3.4
99.00857	8.1
101.02427	5.7
111.00871	24.7
117.03432	2.2
119.05022	39.0
120.05365	2.2
129.00981	3.0
129.01936	54.4
134.03743	14.8
141.01926	1.7
159.03004	8.9
161.04559	2.4
163.04007	55.9
164.04350	3.1
177.04031	13.1
187.02466	2.1
193.05040	19.1
193.09215	1.4
195.05087	100.0
196.05449	3.0
205.03506	35.7
206.03825	2.5
223.04570	29.4
224.04962	2.1
340.10590	1.5
341.08734	93.8
342.08978	8.4
357.09833	2.1
369.08105	4.6
371.09793	18.5
372.10123	3.3
399.09357	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	741.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.9
56.88233	0.5
57.03445	11.4
57.86570	0.5
59.01379	6.4
62.11724	0.5
68.99802	1.5
71.01382	5.7
71.23924	1.0
72.99317	1.0
73.02930	0.6
75.00861	3.0
75.02799	0.5
80.66377	0.5
83.01392	3.4
84.02154	3.1
85.02948	100.0
86.03262	1.3
87.00871	2.1
89.02448	1.4
96.96035	1.1
99.00871	0.8
101.02431	2.0
103.00349	1.7
111.00880	8.7
115.00384	0.8
116.40213	0.5
117.03456	0.5
119.04993	3.1
129.01947	12.8
133.01404	2.8
134.03757	3.7
147.02998	9.2
159.03119	0.6
163.03978	2.9
173.00937	2.0
191.01967	50.2
192.02322	1.1
193.05048	3.0
195.05063	3.4
205.03511	7.3
206.03827	0.8
209.03014	67.8
210.03397	1.9
223.04550	11.1
224.04950	0.9
225.05055	0.6
341.08560	2.5
355.06656	17.0
355.10876	0.9
356.07025	1.2
357.09628	1.1
367.06619	0.7
369.08209	2.2
370.08484	0.8
371.09763	1.8
385.07721	8.4
386.07858	0.7
399.09201	1.9
463.40240	0.6
559.02991	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.2
61.98828	14.4
63.99246	1.3
65.00662	0.8
68.99543	0.8
69.99652	3.3
71.01373	1.4
75.00874	3.4
77.03970	2.2
81.03463	0.7
83.05034	2.2
89.02467	1.0
98.20030	1.2
101.02467	1.3
105.11359	0.8
117.31991	0.7
121.02959	100.0
122.03298	2.9
127.66804	0.8
163.11256	1.4
165.01927	71.3
166.02240	2.7
171.10379	1.0
181.06567	2.5
191.03563	1.8
195.13937	1.7
196.14125	1.0
197.11839	1.4
209.11816	32.0
210.12170	15.6
211.13492	1.6
223.13516	1.0
225.05626	1.6
227.12796	3.7
228.13226	1.6
253.09198	4.4
254.09651	1.3
275.20053	1.6
276.20514	1.3
277.21729	1.2
291.19363	0.8
293.21252	15.9
294.21515	13.4
295.21741	1.6
309.20795	2.9
313.07220	1.3
357.06244	11.0
741.14636	6.9
742.15118	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54559	0.1
59.01376	0.5
61.98827	100.0
62.98536	0.1
68.93397	0.1
69.49323	0.6
83.05025	0.2
85.02969	0.1
101.02469	0.1
101.23879	0.1
113.02406	0.1
119.05079	0.1
191.37958	0.1
214.40042	0.1
225.15909	0.1
343.43140	0.1
428.95135	0.1
550.16785	0.1
568.35773	0.1
678.50488	0.2
679.50018	0.6
680.50598	1.1
740.49170	2.2
741.49152	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
61.98828	100.0
66.92342	0.2
71.01379	0.3
71.53591	0.2
71.54009	0.2
74.78162	0.2
80.67703	0.2
84.89584	0.2
85.02995	0.2
87.00910	0.2
87.26913	0.2
88.98793	0.2
89.02464	0.2
89.22798	0.2
97.66162	0.2
101.02464	0.2
129.19571	0.2
171.10320	0.5
172.94658	0.2
183.13959	0.2
209.11876	0.5
210.12251	0.2
211.13432	0.7
212.13762	0.2
279.23294	0.2
291.19727	0.3
293.21158	0.3
293.55023	0.2
294.21613	0.3
309.20721	0.4
358.34998	0.2
398.14099	0.2
558.50293	0.2
716.60260	0.2
737.84912	0.2
740.43744	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90159	0.1
59.01373	0.7
61.98828	100.0
62.98542	0.2
65.25975	0.1
66.48489	0.1
71.01403	0.3
71.53333	0.2
73.94241	0.1
78.95930	0.1
87.00900	0.2
89.02409	0.3
101.02441	0.3
110.63737	0.1
111.08172	0.2
116.92892	0.5
125.97594	0.1
156.28365	0.1
161.04605	0.2
169.12347	0.2
171.10236	0.2
183.13972	0.4
184.14381	0.2
197.11815	1.0
198.12199	0.4
199.13420	0.4
209.11847	0.5
211.13376	5.2
212.13728	2.5
212.15616	0.2
227.12912	0.7
228.13249	0.3
235.08284	0.4
253.09224	0.8
260.88956	0.1
279.23398	0.2
280.23624	0.2
285.63626	0.1
291.19617	0.7
292.20068	0.4
293.21268	0.7
294.21561	0.5
309.20685	1.2
310.21051	0.8
338.46600	0.1
399.14078	0.3
448.23270	0.2
510.74734	0.1
546.30481	0.2
604.45044	0.1
662.44733	0.1
740.42181	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	739.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	9.1
61.98830	47.0
66.57761	1.2
71.01382	7.7
71.53388	1.8
76.90834	1.2
80.86597	1.5
83.05015	1.4
85.02959	1.6
87.00859	2.1
88.98822	1.5
89.02429	5.5
89.88506	1.3
90.10349	1.2
97.06578	2.2
101.02403	6.3
113.02429	1.7
143.03482	1.5
157.76405	1.3
161.04517	1.5
165.12822	9.1
171.10312	1.4
183.13890	77.2
184.14157	3.3
195.13876	7.5
197.11700	1.7
197.50673	1.4
209.11841	8.2
211.13403	10.0
223.13295	4.5
227.12860	5.1
228.13387	1.5
235.08202	2.6
253.09308	8.2
275.20087	4.7
279.23297	3.0
280.23694	1.8
291.19730	1.9
293.21191	53.9
294.21487	3.9
309.20679	3.2
445.20740	2.4
463.21765	1.8
739.42688	100.0
740.43121	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53517	1.1
57.03431	1.8
59.01376	10.3
61.98829	67.2
70.07628	5.1
71.01376	10.0
71.05029	1.3
72.66118	1.1
73.02982	1.2
74.24606	1.0
78.95898	2.7
81.03488	1.5
85.02952	2.5
86.72790	1.4
89.02445	5.0
95.05006	1.4
96.96021	7.8
97.02953	3.1
97.06590	2.5
99.00889	13.9
101.02441	6.0
101.93578	1.0
104.45558	1.2
109.06604	2.7
113.02444	3.8
125.09710	4.5
127.11335	1.4
137.09659	1.2
147.17862	1.1
161.04526	2.2
163.11263	8.5
171.10260	32.8
181.12329	15.3
183.13879	2.2
189.09157	1.2
197.11826	1.8
199.13393	29.4
201.11304	2.6
207.08353	2.2
207.10258	33.3
208.10727	2.0
209.11885	3.8
211.13362	19.2
225.11308	71.4
226.11632	4.4
227.12843	7.1
235.08165	3.3
243.12347	14.4
253.09329	10.8
277.21716	71.1
278.22003	7.0
279.23230	1.8
291.19675	6.0
293.21185	8.7
295.21613	1.5
408.00262	1.4
437.00146	1.2
443.19067	2.5
461.20294	9.0
463.21973	1.3
479.21603	2.3
721.41467	5.7
739.42670	100.0
740.42950	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.6
58.00597	0.3
59.01370	5.1
59.32235	0.3
61.98826	22.5
62.98576	0.3
69.03465	0.4
71.01380	4.2
71.52848	0.4
73.02922	0.7
78.95894	1.6
80.02658	0.8
81.03446	0.9
83.01394	0.6
83.05022	4.0
84.02186	0.7
85.02951	1.2
87.00861	1.0
89.02431	2.5
95.05028	0.9
96.56576	0.3
97.06597	0.4
101.02426	3.5
111.08122	0.7
113.02441	2.0
115.89017	0.3
119.03501	0.8
125.02429	0.5
125.06107	0.4
134.26628	0.3
135.08127	0.8
143.03502	0.6
145.05025	0.4
147.11818	0.6
152.99611	0.7
161.04565	1.8
163.11273	3.2
165.12825	2.1
167.10692	0.4
169.12323	0.7
171.10257	1.8
173.60886	0.3
179.05545	0.4
179.14397	0.6
181.12357	0.6
181.75015	0.3
183.13922	0.9
185.11807	0.4
191.10812	0.5
193.12419	0.3
195.13882	6.7
196.14420	0.6
197.11763	2.5
199.13361	1.1
205.12321	0.6
205.15999	0.4
209.11809	100.0
210.12157	6.0
211.13388	15.3
211.15453	0.6
212.13733	1.3
223.13347	4.5
225.11201	0.3
227.12859	14.1
228.13365	1.0
235.08167	3.5
247.10431	0.3
253.09264	18.7
254.09633	1.1
256.13058	0.9
275.20099	7.2
276.20407	0.6
279.23245	0.6
291.19589	3.1
292.20016	0.6
293.21204	83.4
294.21527	7.1
297.83090	0.3
309.20694	5.3
360.44971	0.3
445.20636	1.1
447.22354	0.9
485.32269	0.6
503.33691	0.4
529.29718	0.6
590.74139	0.4
670.35742	0.6
739.41028	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3211
Annotation	Thalmelatidine
Peak:m/z	Relative Intensity
52.81022	1.0
53.15328	1.1
55.63630	1.2
59.01371	3.8
60.44623	1.0
61.59443	1.1
61.98827	19.7
65.12619	1.2
71.01373	8.8
73.02901	1.5
78.95886	2.8
78.98601	6.2
79.95733	9.5
80.96514	66.8
85.02930	2.8
86.76199	1.1
87.00861	3.0
89.69855	1.1
94.98083	14.0
96.96008	3.5
97.02912	1.7
98.19823	2.6
101.02450	2.6
106.98083	2.4
111.02603	1.1
113.02435	1.4
120.75572	1.3
122.97632	2.7
125.02409	3.6
134.91937	1.3
134.97548	5.0
148.99171	6.5
152.98584	5.1
164.98634	13.7
183.13846	2.6
206.99623	2.5
209.11789	3.4
211.13322	6.2
223.13345	2.0
225.00700	23.7
229.14467	1.4
279.23132	1.7
399.88763	1.7
448.58191	1.2
459.10284	1.3
496.47046	1.3
509.16718	1.9
739.32074	100.0
740.32391	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	739.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
58.82787	0.8
59.01383	12.0
61.98534	1.4
61.98829	17.7
62.02276	0.8
71.01388	8.1
71.05022	2.5
73.02930	1.9
77.51310	0.8
78.95900	3.4
85.02959	1.8
87.00843	1.2
89.02427	3.6
95.01421	0.9
97.02953	3.1
97.06596	2.3
99.00883	11.3
101.02429	3.9
109.06554	2.2
113.02436	3.1
114.66602	0.9
123.08144	1.2
125.09698	5.0
127.11277	1.6
142.02657	1.1
144.07391	0.9
149.27223	0.9
152.99596	2.3
161.04524	2.3
163.11296	6.7
171.10281	14.0
181.12344	11.8
183.13855	1.3
197.11852	1.2
199.13396	11.7
201.11273	2.8
207.10258	26.8
208.10565	1.2
209.11755	2.0
211.13412	7.3
212.13687	1.3
225.11308	41.4
226.11620	1.9
227.12859	4.2
235.08200	2.8
243.12335	4.9
253.09308	6.6
275.20090	1.7
277.21713	76.6
278.21997	8.1
279.23303	2.2
280.23694	1.2
291.19510	6.0
293.21237	10.5
443.18994	2.5
461.20410	4.4
479.21432	1.8
679.20502	1.0
721.41675	5.3
722.42438	1.5
739.42651	100.0
740.43011	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	26.0
59.01387	2.8
64.90723	0.5
68.76810	0.4
69.45671	3.0
69.46068	1.0
71.01382	1.0
72.38943	0.5
73.55752	0.5
73.72276	0.5
81.03477	0.7
82.24972	0.5
83.01377	1.0
85.02955	0.6
85.17843	0.5
89.02468	0.6
91.82198	0.4
97.02947	1.1
98.20599	1.1
99.04515	12.4
99.80132	0.5
101.02441	9.2
113.02483	0.5
117.03459	19.6
118.03765	0.9
119.05026	35.6
120.05354	1.3
121.02993	0.5
125.02452	12.4
143.05043	0.8
145.02948	100.0
146.03259	4.0
163.03998	27.5
164.04350	1.9
183.08282	0.6
185.05988	0.6
187.04012	1.4
205.05055	1.4
230.62947	0.5
307.08179	3.5
308.08295	0.6
349.09195	4.2
389.12354	2.0
431.11874	1.8
433.11319	14.6
434.11548	1.1
442.77591	0.5
475.12421	31.0
476.12564	3.7
515.15552	35.1
516.16034	4.4
517.13684	1.5
577.15509	6.8
578.15759	1.9
739.21143	7.9
740.21619	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	739.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.5
59.01375	1.4
62.59625	0.3
63.02405	0.3
65.00342	0.3
69.72487	0.5
69.72897	1.0
73.02981	0.3
83.01394	0.4
92.06005	0.2
98.20628	0.4
99.04479	0.2
101.02452	0.4
107.01385	0.5
117.03471	0.4
119.05006	1.5
125.02452	0.4
132.02127	0.3
133.02954	0.3
134.03708	0.6
145.02942	3.7
145.04002	0.3
151.00377	1.0
160.04022	0.7
161.04364	0.3
163.04010	0.9
211.04060	0.4
227.03453	0.7
255.02986	1.5
256.03751	2.4
257.04141	0.3
269.04572	0.5
280.86954	0.2
283.02563	0.6
283.05780	0.3
284.03238	100.0
285.03604	8.6
297.04156	0.4
299.05582	69.2
300.05914	5.6
307.08096	0.6
341.06561	0.4
349.09174	0.5
433.11362	0.9
473.10849	0.3
475.12296	0.8
505.50040	0.3
593.15210	0.4
607.16687	2.6
608.17078	0.6
619.18488	0.3
739.20831	37.6
740.21149	8.1
768.92950	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82662	0.6
57.03446	17.5
58.47035	0.7
59.01375	3.9
59.25936	0.6
70.16124	3.1
71.01366	2.2
73.02946	0.8
75.89819	0.7
85.02968	1.0
97.02962	1.5
99.04515	7.1
101.02431	6.0
113.02493	0.7
117.03462	19.6
119.05025	38.3
120.05357	2.1
121.22138	0.7
123.02191	0.6
125.02442	9.5
133.00714	0.7
145.02946	100.0
146.03275	3.9
150.31136	0.7
159.04533	1.2
163.04004	30.5
164.04347	1.9
187.04030	1.7
225.11316	0.8
241.14377	1.1
242.14809	0.7
243.06569	1.5
256.03683	1.0
259.54407	0.7
269.04547	0.9
284.03244	23.0
285.03555	1.6
299.05588	16.8
300.06006	1.1
307.08212	18.6
308.08472	1.4
317.47873	0.7
325.09201	2.1
349.09256	7.6
350.09607	0.7
389.12454	3.1
433.11392	25.2
434.11758	3.3
451.18912	0.8
469.13480	1.0
475.12424	31.5
476.12549	3.3
515.15576	10.5
516.15594	1.7
566.38068	0.7
577.15332	1.1
607.16730	0.8
658.81836	0.8
739.20758	16.2
739.33118	1.3
740.21069	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	739.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74778	0.6
57.03447	22.5
58.03769	0.6
59.01372	2.3
69.42103	3.8
85.02963	0.9
93.03426	0.8
97.02952	1.3
99.04524	5.1
101.02443	7.9
117.03459	17.7
118.03784	0.9
119.05023	36.3
120.05347	1.7
121.02987	0.6
123.04536	0.6
125.02451	9.0
145.02948	100.0
146.03273	5.7
159.04436	0.6
161.06076	0.6
163.04002	29.1
164.04333	1.8
187.03992	0.6
209.82761	0.7
241.17769	0.5
244.78464	0.5
253.90384	0.5
294.16583	0.5
307.08218	10.2
308.08533	0.6
325.09216	1.4
349.09268	13.3
350.09567	1.8
389.12390	7.7
431.12247	1.0
433.05508	1.1
433.11368	16.1
434.11630	1.9
475.12433	26.0
476.12625	3.8
515.15509	14.6
516.15973	2.4
517.13599	1.1
548.74438	0.6
577.15497	3.3
580.44537	0.6
635.36871	0.6
739.20825	13.1
740.21039	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	738.443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64800	0.2
59.01372	2.0
61.98829	100.0
71.52756	0.3
78.95881	1.4
86.47289	0.3
101.12775	0.3
112.75179	0.3
131.40591	0.3
152.99519	1.3
158.30630	0.3
262.24615	0.3
279.23483	1.1
293.21060	0.4
311.22379	0.5
318.22061	0.3
336.76074	0.3
370.22302	0.3
385.39188	0.3
595.91772	0.3
739.40460	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53784	0.1
59.01381	0.3
61.98827	100.0
62.98539	0.1
71.01390	0.2
89.02451	0.2
101.02425	0.2
125.02419	0.1
126.80785	0.1
130.26282	0.1
161.04533	0.1
165.12740	0.1
174.79909	0.1
195.13881	0.1
209.11810	1.7
211.13412	0.2
227.12944	0.2
227.98927	0.1
235.08470	0.1
253.09337	0.2
275.20193	0.1
277.21838	0.2
278.22174	0.3
279.22711	0.1
291.19696	0.1
293.21252	0.7
397.13794	0.1
398.14148	0.2
399.13965	0.4
400.14322	0.2
417.15204	0.1
418.15881	0.1
458.86929	0.1
623.18854	0.1
760.63995	0.1
764.68304	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	738.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01408	0.1
61.98827	100.0
62.98539	0.2
64.84163	0.1
69.86023	0.2
69.86426	0.2
70.53625	0.1
70.99794	0.1
75.05885	0.1
80.08836	0.1
97.10317	0.1
98.19883	0.1
101.02487	0.1
102.96855	0.1
125.91864	0.1
171.00681	0.1
277.21835	0.2
278.22159	0.2
279.22406	0.1
287.88071	0.1
398.13931	0.1
399.14215	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04477	0.2
59.01376	13.9
68.61759	0.2
69.50030	0.6
69.50432	0.6
73.23296	0.2
81.03453	4.2
82.49058	0.2
83.05019	12.4
84.05362	0.4
100.07677	0.3
107.06178	0.2
108.04559	0.4
123.20781	0.2
125.02490	0.3
125.07199	0.8
143.08212	0.6
177.01939	0.5
207.15042	0.9
224.17685	1.7
224.63142	0.2
225.16075	10.9
226.16428	0.7
242.18768	0.5
309.21732	0.6
324.26450	0.2
333.22702	0.3
341.29169	0.8
367.27127	1.1
383.36221	0.2
433.31747	0.8
450.34479	0.9
451.26593	0.4
451.32828	6.8
452.33203	1.1
457.02777	0.2
550.43298	0.8
565.44354	0.3
593.43542	0.6
659.48608	1.8
660.49048	0.5
677.49640	100.0
678.49957	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	737.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.6
57.88938	0.5
59.01377	7.2
61.98829	28.3
67.01886	0.6
69.03453	4.2
69.23378	4.8
71.01378	4.0
71.05001	1.4
72.99308	0.5
73.02950	0.9
78.95895	0.9
83.04983	0.6
84.85458	0.5
85.02937	0.9
87.00854	0.6
89.02440	2.4
95.01399	0.7
97.02938	0.7
101.02432	2.9
113.02430	2.1
123.08109	0.7
125.09683	2.1
150.77974	0.7
151.11252	2.8
153.12836	1.5
161.04594	0.7
161.09731	3.4
169.12257	2.3
179.10788	5.7
180.11115	0.7
197.11823	41.1
198.12170	2.2
211.13387	0.7
223.09723	1.3
235.08044	0.5
241.10832	1.7
249.09303	0.5
253.09241	3.1
277.21707	51.8
278.22064	5.5
279.73987	0.5
293.21030	0.7
352.38495	0.5
429.61874	0.6
459.18539	1.0
477.19583	1.4
719.39240	0.9
737.41119	100.0
738.41278	20.7
738.53345	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.8
57.03444	0.8
58.00612	0.5
58.23341	0.4
59.01373	5.9
61.98827	24.6
65.25067	0.4
69.03458	4.1
71.01378	5.6
71.05018	1.2
71.41759	0.8
72.99280	0.5
73.02960	1.1
78.95900	0.7
83.04985	0.5
85.02949	1.5
89.02465	2.0
90.22464	0.5
92.84925	0.4
95.01461	0.6
97.02931	0.7
97.06544	0.7
101.02436	3.3
113.02470	1.8
119.03474	0.6
123.08166	1.2
125.09714	1.8
151.11276	1.8
153.12868	1.8
161.01080	0.4
161.04573	1.3
161.09738	3.0
169.12337	0.7
179.10760	6.2
197.11823	81.1
198.12175	4.6
207.10320	0.6
223.09694	1.5
225.11343	0.7
241.10849	4.2
253.09317	2.5
266.98764	0.5
277.21713	26.5
278.22174	2.3
293.26367	0.5
411.53134	0.5
433.21442	0.5
459.18863	1.1
477.19632	2.3
575.35272	0.6
719.40900	0.8
737.41125	100.0
738.41498	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	737.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.1
58.00572	1.8
59.01377	31.5
60.57211	0.8
61.98832	6.2
62.39129	0.6
62.90105	0.8
63.82684	0.7
69.03447	2.0
71.01379	28.1
72.99306	3.0
73.02942	5.4
78.45557	0.7
81.03430	1.4
83.01395	3.4
85.02950	6.2
85.26202	0.8
87.00871	6.1
89.02444	22.4
95.01386	1.7
95.04984	1.2
97.02947	3.9
98.19858	1.5
99.00874	1.6
101.02444	20.7
113.02447	10.7
119.03490	5.9
125.02444	8.6
125.91307	0.8
130.02782	0.8
131.03561	1.5
139.04013	1.3
141.01743	0.7
143.03471	4.4
161.04581	4.6
171.10286	2.8
179.05641	6.3
199.13248	0.9
207.10246	1.5
209.11865	3.0
211.13420	8.5
217.07285	1.1
221.06621	1.2
223.13383	1.4
225.11328	3.0
227.12888	2.3
230.50003	0.8
235.08232	11.7
236.08521	0.9
253.09329	4.0
263.07617	1.1
279.23282	78.1
280.23636	7.9
287.07758	4.0
291.19608	4.6
293.21249	3.4
305.08755	3.5
307.19269	1.8
323.09686	1.0
397.13467	100.0
398.13895	8.0
415.14548	31.1
416.15115	1.9
499.25528	0.9
527.28210	1.2
677.37213	4.5
678.37091	1.2
737.40936	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	737.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
56.88017	0.6
57.01598	0.5
57.03428	0.8
58.00603	1.2
59.01379	30.7
61.98827	4.9
65.23322	0.5
66.49013	0.5
68.99551	1.0
69.03432	1.6
71.01376	26.4
71.42415	0.9
72.99304	1.5
73.02943	4.5
75.00848	0.8
77.14814	0.5
78.73438	0.5
81.03429	1.5
83.01377	2.4
83.05039	1.0
83.41862	0.5
85.02948	5.9
87.00867	6.0
87.28868	0.5
89.02440	22.4
89.06490	0.7
91.04023	1.2
95.01360	1.7
97.02946	4.8
99.00871	2.2
101.02440	20.9
109.02946	0.5
109.06594	1.0
111.04514	1.3
112.98541	0.7
113.02455	9.2
119.03493	6.3
123.01014	0.5
124.01633	0.5
125.02450	8.7
129.85089	0.5
131.03496	0.7
133.04999	0.6
133.70816	0.6
143.03496	4.1
161.04558	4.9
163.11275	1.3
167.03329	0.6
179.05583	4.6
207.10249	3.7
209.11810	7.4
211.13368	3.2
217.07149	0.6
221.06622	1.4
225.11314	3.8
227.12886	2.5
235.08205	11.4
253.09239	3.7
254.80324	0.6
263.07672	1.2
268.03812	0.7
277.09189	0.8
279.23267	79.8
280.23560	8.4
287.07724	2.9
289.18079	0.7
291.19696	5.7
293.21326	5.0
305.08783	5.5
307.18954	0.7
323.09827	1.0
379.12326	0.7
397.13467	100.0
398.13858	9.1
415.14523	31.4
416.14914	2.5
538.29169	0.6
586.13245	0.6
677.37836	3.3
737.40869	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	737.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.2
61.98827	100.0
71.01382	6.3
71.53848	2.6
72.73277	1.8
78.95935	2.3
79.95739	8.7
80.96519	22.6
94.98037	2.1
96.96027	2.5
101.02438	2.7
109.17899	1.7
113.02422	3.2
122.51962	2.1
164.98743	2.1
197.11783	13.5
207.10263	2.5
209.11836	16.8
211.13329	8.0
223.13371	9.1
225.00766	2.2
227.12854	2.8
227.36549	2.3
244.13564	2.3
259.02310	2.1
279.23282	2.6
291.19537	2.9
309.20670	2.3
459.22214	3.9
651.33752	2.8
665.28644	4.3
669.37097	2.6
737.35980	31.8
738.35175	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	737.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.3
59.01375	2.7
60.79036	0.2
61.98827	13.1
62.98499	0.3
69.30919	0.4
69.31330	2.1
71.01376	2.4
71.05045	0.4
73.02938	0.5
79.95759	0.5
80.02677	1.1
80.96518	0.9
81.03447	1.2
83.01373	0.5
83.05022	3.4
84.02146	0.6
85.02930	0.7
87.00887	0.9
89.02429	1.2
95.05007	0.6
97.02977	0.5
98.78819	0.3
99.00886	0.3
101.02431	1.6
109.06611	0.4
113.02449	1.3
119.03486	0.7
121.95638	0.3
125.02510	0.3
125.06084	0.4
125.09714	0.4
135.08092	0.8
145.02931	0.5
161.04556	0.9
163.11276	3.0
165.12830	2.2
171.10269	1.1
181.12340	0.5
191.10780	0.9
197.11879	0.4
209.11812	100.0
210.12154	6.3
225.00862	0.3
225.94560	0.3
227.12878	13.2
228.13193	0.9
235.08202	1.8
253.09241	4.5
268.03732	0.8
273.19528	0.3
283.06033	0.8
298.62903	0.3
418.61426	0.3
445.20605	2.9
453.13779	0.4
637.32135	0.8
737.32013	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85677	0.5
59.01376	1.2
61.98814	2.4
63.96218	1.3
69.03471	0.8
71.01376	6.6
71.52505	1.1
71.52856	0.6
73.02942	2.7
78.98579	5.9
79.95729	11.4
80.35505	0.6
80.96511	72.0
81.03465	0.6
83.85157	0.5
85.02953	3.1
87.00871	2.7
87.63863	0.6
94.98083	17.8
95.58498	0.5
96.95992	0.8
97.02953	1.6
99.00816	0.7
101.02451	2.8
106.98073	2.6
113.02370	1.0
122.97561	3.2
125.02430	2.8
127.03986	0.9
134.97581	7.0
136.99098	2.2
146.97552	0.8
148.99130	6.9
152.98640	6.5
164.98624	14.2
165.12839	1.5
183.13881	7.1
188.98572	0.6
206.99680	3.0
209.11864	0.7
225.00723	26.2
226.00955	0.9
227.12805	0.8
246.54842	0.6
365.62018	0.6
509.16849	3.2
529.59912	0.7
594.66241	0.6
737.30554	100.0
738.30878	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	736.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.1
61.95609	0.1
61.98827	100.0
62.98523	0.2
71.01374	0.2
71.70174	0.1
73.99262	0.1
78.03889	0.1
98.20857	0.2
140.33302	0.1
207.10243	0.1
209.11879	0.3
211.13435	0.4
212.13708	0.1
222.86879	0.1
225.11354	0.2
227.12999	0.1
229.16150	0.1
251.61699	0.1
253.09392	0.1
293.21313	0.2
737.41827	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	737.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.5
61.98826	8.2
63.96227	1.3
69.03478	0.6
70.38792	1.3
71.01376	7.4
73.02946	1.7
75.20638	0.4
78.98585	6.8
79.95733	12.3
80.96514	68.9
81.03461	1.0
81.13435	0.5
85.02952	2.5
87.00870	2.8
94.98080	15.4
96.96011	10.7
97.02946	1.6
99.00874	0.8
99.70387	0.5
101.02450	2.9
106.62584	0.4
106.98099	3.8
122.97582	3.1
125.02443	3.1
127.03950	1.1
134.97586	6.3
136.99117	1.6
148.99120	6.3
152.98619	6.4
164.98611	15.4
165.12845	1.0
167.00212	0.6
167.19351	0.5
179.81969	0.5
183.13895	7.5
188.98566	0.9
206.99606	2.4
209.11763	0.9
225.00722	24.5
226.00995	0.8
227.12827	0.7
244.37326	0.5
254.25803	0.5
293.21185	1.4
371.49326	0.5
509.17175	3.3
541.39203	0.5
632.30823	0.5
719.29114	0.8
735.72992	0.5
737.30548	100.0
738.30804	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
56.87185	0.5
57.03448	11.1
59.01373	5.9
68.99812	0.8
69.98845	1.1
69.99239	0.9
71.01370	4.4
72.99303	1.6
73.02912	0.6
75.00863	1.9
79.23172	0.5
83.01369	2.5
84.02148	2.5
85.02946	100.0
86.03282	2.4
87.00890	1.2
89.02435	0.9
91.10957	0.5
99.00828	0.8
103.00388	1.1
108.04550	1.7
111.00887	4.3
119.05019	2.3
121.04237	0.6
129.01935	9.3
133.01443	1.1
146.08244	0.9
147.02997	13.6
150.05605	1.6
163.02751	0.5
163.03964	3.0
173.00873	2.4
191.01962	61.5
192.02325	1.4
209.03015	41.7
210.03363	0.9
279.59229	0.5
337.05646	2.3
355.06671	41.4
356.06702	2.9
380.15686	3.0
386.11212	0.5
627.72034	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49210	0.2
56.27888	0.2
57.03438	0.5
58.00594	0.3
59.01379	4.6
61.98827	1.8
63.65045	0.2
69.03450	1.9
70.37971	0.2
70.38332	0.6
71.01379	3.6
71.05035	0.4
72.72585	0.2
72.99326	0.3
73.02945	0.7
81.03463	0.2
81.48614	0.2
83.01394	0.5
83.05031	0.4
85.02944	0.9
85.06582	0.2
87.00874	0.7
89.02443	2.3
93.03442	0.3
95.05055	0.4
97.02969	0.2
97.06592	0.3
99.00880	0.3
100.21747	0.2
101.02438	3.6
109.06567	0.6
111.08167	0.4
113.02425	2.0
113.09689	0.3
119.03503	0.8
125.02393	0.2
125.09734	0.4
131.03491	0.3
136.46718	0.2
141.09174	0.3
143.03447	0.4
145.05026	0.5
146.51094	0.2
149.09697	0.6
161.04541	1.7
161.13335	0.4
167.10765	2.7
167.54378	0.2
177.12828	0.7
179.05576	0.6
179.10771	1.4
179.14398	3.1
195.13887	14.7
196.14310	1.2
205.12318	9.6
205.15846	0.3
206.12659	0.8
211.13362	0.5
223.13377	100.0
224.13718	6.8
225.14919	0.4
228.13647	0.6
231.21118	0.3
235.08214	3.7
236.08560	0.2
253.09271	16.5
254.09584	0.7
256.13165	0.8
257.49365	0.2
275.20148	5.1
276.12479	0.2
276.20554	0.4
277.21460	0.2
293.21207	80.2
294.21536	7.7
441.20975	0.5
459.22348	12.5
460.22595	1.7
492.22076	0.3
499.34457	0.9
500.34589	0.3
511.29214	0.3
529.30225	1.6
530.30060	0.2
698.35126	0.3
735.43427	1.4
736.43323	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86535	0.2
57.03445	0.6
59.01375	5.1
61.98825	0.8
69.03451	2.0
71.01376	3.5
71.05004	0.5
71.52662	0.3
73.02946	0.9
81.03477	0.3
83.01381	0.5
83.05006	0.4
85.02972	1.1
85.06561	0.3
85.82749	0.2
87.00873	0.7
89.02436	2.4
95.01359	0.3
95.05011	0.4
97.06555	0.4
101.02436	3.5
109.06570	0.5
113.02461	1.9
113.09758	0.2
115.80590	0.2
119.03492	0.6
125.02489	0.4
125.09716	0.6
135.11731	0.3
145.05031	0.4
149.09717	0.3
153.09158	0.3
161.04558	1.7
161.13364	0.3
167.10741	3.2
171.10237	0.3
177.12796	0.8
179.05611	0.4
179.10782	1.3
179.14371	3.3
187.11241	0.3
195.13885	14.7
196.14409	0.8
205.12320	9.4
205.15399	0.2
206.12672	0.6
209.11812	0.3
211.13412	0.6
223.13373	100.0
224.13713	6.6
225.14993	0.7
228.13612	0.6
235.08221	3.7
253.09265	16.3
254.09607	0.7
256.13123	0.9
265.21655	0.5
275.20135	4.4
276.20370	0.5
288.49881	0.2
289.18158	0.3
293.21204	81.1
294.21542	7.3
326.66379	0.2
441.21255	0.6
459.22324	13.2
460.22647	1.4
492.22198	0.3
499.34238	0.8
504.73859	0.3
529.30243	1.8
735.43036	2.0
736.44177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	4.1
63.96214	1.9
65.33480	1.7
71.01366	4.9
75.79393	1.8
78.95891	4.7
78.98570	4.8
79.95734	11.1
80.96519	49.3
85.02920	2.5
86.50746	1.6
94.98074	11.9
96.95971	3.0
106.98052	3.4
110.98502	3.4
122.97529	4.5
134.97525	4.2
148.99115	4.6
152.98566	5.5
163.89536	1.7
164.98547	5.5
167.52773	1.8
171.10233	2.2
193.80360	1.7
206.99677	2.3
208.31483	1.7
225.00772	9.2
255.23203	4.3
256.23520	2.6
277.21777	8.7
289.18024	5.0
327.21414	2.5
328.22113	1.9
454.08978	1.9
531.64441	2.2
709.43805	2.0
734.47668	4.2
735.39703	100.0
736.40326	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15510	0.3
56.02190	0.3
57.03436	0.8
59.01373	1.1
65.31234	0.3
68.47751	0.2
69.03472	0.5
69.52438	1.9
71.01381	1.1
71.05013	0.7
72.99329	0.5
73.02948	2.2
75.00865	16.9
81.03447	3.3
84.02171	0.5
84.08789	0.3
85.02966	0.6
85.31357	0.3
87.00871	14.8
89.02416	0.3
93.03455	1.2
97.02956	0.3
99.04494	3.4
110.43032	0.3
110.93686	0.3
113.02472	0.4
115.03980	0.3
117.03439	1.3
117.05555	0.3
119.05018	49.7
120.05360	2.9
121.02919	0.3
125.02445	1.0
135.04498	0.7
143.03491	0.3
145.02913	4.1
160.04030	0.5
161.04539	20.2
162.04860	0.8
163.03993	100.0
164.04330	5.0
165.04459	0.6
179.05583	10.5
180.05945	0.6
193.05101	0.5
195.04991	0.4
223.04541	0.4
308.39087	0.3
325.09247	30.1
326.09573	2.7
327.10120	0.4
391.11450	0.5
549.26874	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
59.01377	24.6
61.98834	3.3
62.11148	0.6
66.35518	0.6
67.58470	0.6
69.03471	0.8
69.95390	3.0
71.01379	42.9
72.99306	0.8
73.02940	2.0
73.27821	0.6
75.00881	0.6
81.03445	1.2
83.05021	2.6
84.68840	0.8
85.02937	2.4
87.00878	2.8
89.02442	3.7
95.05006	0.9
97.02950	2.9
97.06611	1.1
99.00878	1.1
101.02431	5.8
109.06585	10.6
110.03751	1.0
113.02438	3.7
119.03522	1.1
125.09717	1.6
127.11278	0.7
135.08150	1.6
137.09645	1.0
145.05026	1.3
155.10757	1.3
161.04532	2.3
161.09659	1.2
163.11278	7.3
165.12866	1.5
171.10262	9.0
181.08710	1.0
181.12375	2.5
183.13901	9.3
184.14214	1.0
185.11807	2.0
193.12396	0.9
199.09738	11.8
199.13417	2.5
201.11252	3.4
207.10249	30.4
208.10565	1.8
209.11836	17.5
211.13379	100.0
212.13731	6.0
215.12895	0.9
225.11302	20.8
226.11824	0.9
227.12856	11.7
228.13121	0.7
235.08253	6.1
243.12320	0.7
253.09259	10.8
339.23331	1.0
373.23856	1.9
375.21667	1.8
383.22287	2.8
391.24850	2.4
393.22778	0.9
401.23257	6.3
419.24274	3.8
435.18741	2.1
443.19156	1.9
447.22443	4.1
461.20212	6.0
463.21835	1.1
520.28979	0.7
593.30042	1.0
609.32684	1.2
611.30902	1.1
629.32428	0.8
637.31964	6.8
638.32745	1.3
655.33313	10.5
656.33984	2.6
673.34497	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	49.6
61.98831	35.4
64.26001	1.8
68.67349	1.7
71.01395	11.4
71.45301	2.6
75.00865	3.1
86.58514	2.0
101.02417	2.4
109.06567	2.1
167.04816	2.3
171.10233	4.5
176.17671	2.3
183.13960	2.9
196.80527	2.3
207.10249	7.1
209.11839	17.6
211.13426	11.9
221.59410	2.1
225.11313	3.5
227.12895	5.5
253.09279	1.9
325.83429	2.0
453.15945	2.1
469.15094	2.2
481.15231	8.1
482.15753	3.9
495.16376	3.9
496.17487	3.7
497.18152	4.8
523.16010	3.4
537.17505	3.0
555.19025	5.6
581.20129	2.1
582.21368	2.4
583.20880	2.4
586.20416	5.7
587.21472	37.6
588.21442	7.1
609.20477	3.5
611.18787	4.4
632.21027	3.7
641.22491	100.0
642.22955	27.6
643.24243	3.2
646.22729	6.6
659.23724	13.4
673.25085	57.5
674.25623	15.7
705.27545	3.9
721.75665	2.8
733.26648	16.1
734.27173	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	731.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15998	8.9
54.17543	6.6
56.04200	7.4
61.98825	41.3
70.63425	20.0
71.01353	7.1
78.95896	59.0
83.20586	7.1
85.02930	12.9
110.98532	29.0
167.01144	23.6
171.10265	38.8
181.76807	7.9
211.13322	23.5
229.14381	14.5
253.21742	33.1
255.23242	8.0
264.54822	7.6
285.84970	7.1
327.21777	46.4
360.72409	9.6
495.23602	100.0
496.23877	15.7
731.30872	11.8
731.44873	63.0
732.45850	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94400	0.5
60.99306	20.1
61.98821	1.7
70.59032	1.2
71.01355	0.5
87.00884	6.0
88.00407	0.5
88.98804	100.0
89.02444	29.6
89.99135	1.0
97.55403	0.5
101.01315	0.5
121.54969	0.5
160.82912	0.6
167.84569	0.5
175.37904	0.5
179.77423	0.5
185.25963	0.5
438.13269	1.6
439.13937	1.3
467.13730	2.2
468.13788	0.7
470.12433	0.7
481.15158	15.4
482.15695	6.8
483.16412	1.5
495.16867	1.5
497.18289	4.0
513.22064	0.6
514.14886	8.5
515.15247	2.3
540.16400	4.6
541.16968	1.4
548.83722	0.5
555.18872	39.1
556.19135	9.2
572.15570	6.2
573.15759	1.4
627.21680	0.7
641.13049	0.6
641.22791	1.7
659.23560	28.8
660.23785	7.1
703.22333	0.7
731.25256	5.1
732.25598	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.1
58.00609	1.1
59.01371	5.4
61.98822	16.9
69.03454	2.3
70.21306	2.1
70.21693	3.1
71.01369	3.3
73.02943	4.4
80.91634	1.4
83.01360	1.4
85.02946	1.6
96.95968	1.1
97.06632	1.5
99.82119	1.2
101.02441	2.3
106.10992	1.1
108.02161	1.8
111.08144	4.7
113.02453	1.7
121.02955	4.3
122.03702	2.6
123.04561	1.1
125.06056	1.4
137.02390	1.7
147.04533	3.5
149.02431	1.6
150.03235	6.7
158.03738	3.3
159.04495	14.2
160.05281	38.7
161.06078	12.1
163.03966	7.4
163.11275	2.0
164.04778	9.3
165.12827	28.0
166.13170	2.0
171.10136	1.2
173.06123	5.0
175.07634	32.2
177.05554	8.5
178.06377	7.1
179.14383	1.2
181.12369	1.2
183.13881	28.1
184.14275	2.0
189.12804	1.8
191.10713	1.1
193.08667	4.1
203.14378	1.6
207.13899	3.5
209.11823	7.5
211.13344	1.8
213.14948	2.5
221.15492	2.4
223.13475	1.3
225.14923	1.1
227.12865	20.0
228.13235	1.9
231.13792	1.6
233.11740	5.4
249.14915	2.6
251.12891	10.5
265.14423	6.2
269.13882	2.3
275.12802	6.1
293.13910	33.7
294.14194	2.4
311.15005	1.0
315.12341	7.4
329.13901	100.0
330.14243	11.3
345.13339	3.6
359.14920	13.8
360.15598	1.3
371.17032	19.9
372.17398	1.6
521.20209	3.8
731.32855	63.8
732.33081	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	730.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24021	0.1
61.49994	0.1
61.98827	100.0
62.98524	0.2
66.74269	0.1
71.01415	0.2
80.96508	0.3
83.40416	0.1
94.98083	0.2
99.00854	0.1
107.18993	0.1
123.46072	0.1
164.98730	0.1
171.10362	0.3
172.10628	0.2
179.36371	0.1
225.00552	0.2
229.29764	0.2
255.23245	0.2
278.21994	0.1
377.78757	0.1
731.37445	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62811	0.1
61.98827	100.0
69.86084	0.2
69.86497	0.4
71.01392	0.2
72.38464	0.1
79.95729	0.1
80.96529	0.5
85.11823	0.1
134.36748	0.1
171.02032	0.1
171.10214	0.3
214.03931	0.1
248.90396	0.1
255.23384	0.3
277.21701	0.2
278.22128	0.3
279.22678	0.1
355.25488	0.1
651.19940	0.2
660.72119	0.1
731.36505	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
57.03433	0.7
58.00581	0.4
59.01380	100.0
60.01704	1.0
61.98832	3.3
69.03454	0.4
70.67430	0.8
71.01380	11.7
71.99628	0.3
72.01758	0.4
72.99345	0.3
73.02957	3.3
75.00858	0.4
78.76943	0.3
83.01401	1.3
85.02950	5.3
87.00886	0.5
89.02459	1.5
95.01405	1.3
96.96039	0.6
99.00897	2.2
101.02440	6.6
113.02448	5.2
120.75410	0.3
125.02445	1.0
136.05276	0.4
142.27811	0.4
144.31078	0.3
159.03006	0.7
161.04543	4.0
171.10333	0.6
172.01254	0.3
176.69917	0.3
199.13206	0.4
209.11916	0.9
210.49866	0.4
211.13533	0.8
227.12698	0.5
227.73349	0.4
229.14534	0.5
268.68445	0.4
293.08746	0.7
315.18146	10.2
315.21667	0.6
316.18396	0.8
327.21704	3.0
328.21890	0.4
357.19153	4.4
358.19571	0.5
427.15945	0.5
680.82037	0.6
729.34888	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36400	2.2
53.89730	2.6
54.19617	2.1
56.25415	2.6
57.03424	5.2
59.01369	10.8
61.98822	15.9
69.03455	4.0
70.30099	6.5
70.30421	2.5
71.01381	7.3
71.63663	2.6
73.02932	7.1
80.96538	4.0
83.01356	3.1
83.05008	2.8
83.38735	2.4
85.02967	4.9
101.02444	8.8
109.02972	2.7
111.08154	7.2
113.02431	4.9
117.91102	2.7
121.02945	5.7
145.02890	3.7
165.12817	68.4
166.13243	2.7
175.03954	6.7
181.04370	2.5
182.76500	2.4
183.13875	61.8
184.14226	5.7
189.12744	3.8
205.15837	3.0
206.11418	2.4
207.13821	7.7
209.11786	15.0
221.15372	10.1
222.05269	4.5
227.12871	75.9
228.13126	5.0
231.13794	6.6
233.11763	8.4
237.14850	3.2
249.14931	6.0
251.07077	3.6
251.12796	27.8
263.07028	3.1
263.12848	4.0
265.14478	12.6
269.08127	8.5
269.13840	9.3
275.12833	15.9
279.06531	8.4
280.07056	3.1
281.08173	14.2
283.09604	5.0
291.06653	6.0
293.08588	4.0
293.13907	100.0
294.08896	5.5
294.14194	6.0
296.10687	3.5
297.07623	34.7
297.10950	3.5
298.08109	3.7
308.10535	3.7
309.07620	54.9
309.11267	13.8
310.08124	6.3
311.09314	5.2
311.14844	6.8
311.39529	2.7
312.10001	32.9
313.10535	8.2
323.09134	11.4
324.09961	35.3
325.10559	8.0
327.12338	91.9
328.12601	9.4
335.14828	3.7
339.12317	80.7
340.12555	7.6
344.64194	2.7
371.17068	56.9
372.17648	5.9
663.91888	2.9
729.31073	62.7
730.30994	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	729.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28970	0.5
55.01883	0.7
57.03439	4.7
59.01377	8.1
61.08002	0.5
71.01377	7.6
71.11436	1.2
72.99312	1.5
73.02944	0.6
75.00869	20.3
75.01305	1.0
83.01400	0.9
84.02160	1.6
85.02953	9.0
86.03330	0.6
87.00874	6.7
87.04540	0.8
89.02445	2.7
97.02957	1.0
97.63090	0.6
99.00872	2.6
101.02425	2.2
103.32610	0.5
108.02169	2.1
109.02959	1.2
111.00867	1.8
119.05028	19.9
120.05354	1.3
121.51288	0.6
123.04552	0.6
125.02447	1.6
129.01955	13.1
130.02229	0.7
133.06610	0.7
135.04485	0.9
137.02399	0.7
141.01917	0.9
145.02956	4.7
148.01657	0.6
149.04515	0.8
152.01134	4.5
153.01920	1.5
159.02989	3.8
161.06079	1.7
163.04001	29.8
163.11304	0.7
164.04350	1.9
165.01962	1.1
167.03488	1.6
177.04042	36.4
178.04390	1.5
179.03349	0.6
179.05606	7.3
195.05089	48.4
196.05428	1.8
205.05052	1.6
206.17670	0.6
209.06511	1.0
223.04590	0.7
319.08173	0.7
323.07614	2.0
341.08734	100.0
342.09088	10.4
343.09314	0.9
387.16721	2.6
399.09372	0.8
481.13147	2.4
481.19162	0.6
567.13593	2.3
590.06805	0.7
710.99432	0.5
729.19678	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92689	0.6
53.53464	0.7
55.01862	2.4
57.03447	14.5
57.30980	0.6
59.01374	8.2
67.01872	0.8
70.92104	0.7
71.01376	8.9
71.53417	1.4
72.99300	2.4
73.02929	1.9
75.00869	5.0
83.01385	8.1
84.02157	2.4
84.46354	0.7
85.02947	80.3
86.03281	2.2
87.00863	2.7
92.73671	0.7
99.00877	2.0
101.02428	5.6
103.00393	0.7
108.02158	4.6
109.02960	2.4
111.00871	31.8
112.01214	1.4
113.02425	1.5
119.05025	3.5
123.04486	2.0
125.02406	1.1
129.01939	43.3
130.02196	1.1
134.03728	7.7
137.02417	2.0
145.02869	0.7
147.03011	1.7
148.01694	1.0
152.01147	6.7
153.01877	2.0
159.02950	0.8
161.04575	4.8
163.04004	5.0
165.01917	2.7
167.03525	5.0
175.03978	0.7
176.01102	1.6
177.04033	5.6
178.02670	0.8
178.89799	0.6
179.05530	1.7
187.02446	3.5
191.03455	1.8
193.05074	5.8
193.08707	0.9
195.05067	6.5
205.03508	53.7
206.03798	2.1
213.09218	0.8
223.04568	100.0
224.04910	4.2
238.62656	0.7
281.14099	0.8
286.04819	1.0
301.06818	1.4
319.08176	2.0
341.08746	13.5
342.09048	1.0
368.19592	0.7
399.09274	28.6
399.14444	1.5
400.09631	2.1
481.13403	5.8
567.13568	5.1
650.50513	0.8
680.93414	0.7
729.19208	3.1
729.31305	3.1
730.19855	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37083	0.9
55.46707	0.6
57.03449	1.2
59.01376	9.4
65.38733	0.8
67.99409	0.8
71.01385	2.7
72.99294	1.6
75.00879	2.7
77.06281	0.7
85.02956	1.9
87.00894	1.1
89.02415	1.7
91.01911	2.2
95.01378	1.1
96.75246	0.8
99.00867	1.4
101.02415	1.0
108.02171	57.1
109.02969	18.6
111.00846	0.8
113.02441	1.6
119.05014	3.4
121.02956	2.1
123.00894	1.3
123.04519	11.4
124.04797	0.8
125.02394	1.4
129.01958	1.4
135.04539	1.7
137.02483	1.5
148.11084	0.7
149.02432	2.8
151.04007	1.0
152.01143	100.0
153.01941	19.5
159.49335	0.7
161.67935	1.1
163.03984	9.9
163.11298	4.0
165.05568	0.7
166.02682	1.4
167.03481	32.5
168.03868	2.2
177.01811	1.2
177.04044	2.7
179.03479	2.6
179.05563	2.7
179.07069	1.0
181.05037	1.1
191.03409	1.0
193.05035	1.2
194.44746	0.7
195.05060	4.4
209.04736	0.9
209.06621	3.2
223.04480	1.6
229.01773	0.8
238.33501	0.9
321.78262	0.7
341.08673	8.6
355.10330	2.1
387.16647	12.2
399.09351	15.1
400.09470	1.6
413.10886	0.9
417.10159	5.8
441.10413	2.6
481.13336	2.0
567.13477	56.2
568.13702	8.0
609.14984	4.3
729.18756	40.7
730.18933	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	727.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34032	0.3
59.01377	18.8
59.86286	0.3
61.98820	1.3
63.57576	0.3
63.85217	0.3
68.79630	0.3
71.01381	2.1
73.02917	0.4
74.26525	0.4
78.95923	0.4
82.17999	0.4
83.17626	0.4
85.02955	0.4
87.00883	0.8
89.02451	1.0
89.26426	0.3
101.02454	1.5
111.46087	0.3
113.02437	1.0
125.09754	0.7
127.11303	1.8
143.03647	0.5
152.99564	0.6
153.09306	0.4
157.21985	0.4
161.04544	0.9
164.11249	0.4
171.10257	90.7
172.10570	3.5
179.05534	0.5
182.32576	0.4
209.11897	0.9
235.08168	3.3
253.09297	7.9
255.23248	0.8
261.53433	0.4
275.20093	0.5
277.21695	100.0
278.22046	10.6
281.25101	0.8
307.40512	0.4
407.19174	1.4
513.30737	1.9
709.39478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.3
61.98829	100.0
71.07944	0.3
75.74989	0.1
78.95937	0.1
95.95578	0.1
116.92777	0.2
160.76289	0.1
222.26593	0.2
223.13423	0.4
224.06010	0.2
224.13829	0.4
298.80972	0.2
309.95081	0.1
340.95831	0.1
378.33926	0.1
456.43393	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03693	0.1
59.01361	0.4
61.98804	0.4
63.02385	0.4
65.00031	0.1
65.00334	0.3
71.53491	0.2
83.01374	0.2
95.86384	0.1
107.01377	0.6
108.47156	0.1
117.03465	0.2
120.02128	0.1
125.02384	0.1
132.08244	0.1
148.01643	0.2
149.99542	0.3
151.00357	1.0
158.03760	0.1
161.02411	0.1
169.01474	0.1
171.04483	0.4
172.05240	0.4
184.05190	0.1
195.04420	0.2
196.05217	0.3
199.04047	0.1
200.04677	0.2
209.11787	0.1
211.04015	0.8
212.04643	0.4
223.04147	0.1
224.04604	0.1
239.03432	1.3
240.04234	2.3
241.04681	0.2
267.02966	0.9
268.03738	70.2
269.04083	5.9
269.06290	0.1
283.06088	100.0
284.06433	8.2
291.12827	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	727.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05674	0.4
59.01379	13.4
61.98825	1.1
70.01981	1.7
71.01384	1.2
78.95914	0.6
79.60545	0.4
89.02476	0.7
98.20013	0.7
101.02428	1.9
106.46380	0.4
113.02470	1.0
125.09776	0.5
127.11293	1.3
128.11720	0.5
131.38675	0.4
142.07019	0.3
151.85062	0.4
161.04623	0.7
171.10262	100.0
172.10599	4.6
172.15521	0.4
179.05595	0.5
234.64372	0.4
235.08170	1.7
249.95340	0.4
253.09297	5.3
255.23370	0.6
277.21707	50.3
278.22037	4.5
407.19299	3.1
426.33282	0.5
481.36334	0.4
513.30658	0.5
536.23163	0.5
695.69659	0.4
703.07867	0.4
709.39410	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
57.03446	3.5
59.01376	13.1
62.10197	0.5
67.01877	0.9
68.99816	1.3
69.03451	1.4
71.01377	20.0
71.04965	0.4
72.99304	6.7
73.02936	1.2
75.00870	14.6
75.35271	0.5
81.03474	0.5
83.01376	0.9
83.05017	0.9
85.02943	19.5
87.00864	6.5
89.02443	5.0
91.04024	0.8
91.76205	0.5
93.03448	1.0
95.01379	5.1
98.20745	1.1
99.00275	0.8
99.00876	10.0
101.02415	1.2
103.00360	2.2
111.00854	1.1
111.08130	3.0
113.02448	20.3
114.02761	0.7
115.00357	2.8
117.01938	1.8
129.01900	1.5
149.04524	0.5
150.52783	0.5
150.90796	0.6
165.12837	19.5
166.13133	1.4
175.02466	1.4
182.79930	0.5
183.13884	46.1
184.14227	2.9
205.07149	1.4
207.04994	0.8
209.11752	2.6
220.79352	0.5
227.12852	4.1
231.04999	0.9
249.06145	7.0
267.07193	14.0
268.07388	1.1
301.16495	0.5
415.19626	5.0
459.18539	0.9
477.19437	1.2
551.23297	4.4
599.91589	0.6
656.26465	0.6
665.26483	0.7
683.38416	0.6
698.32483	1.7
709.25104	1.8
727.26569	100.0
728.26892	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	727.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	17.7
61.98809	6.9
70.06277	4.8
70.06668	3.5
71.01376	12.0
71.66140	2.0
72.40919	1.9
72.99303	3.8
73.02942	3.8
75.85640	2.0
85.02972	2.7
87.00874	6.1
89.02433	10.5
101.02435	6.6
105.93421	2.2
113.02431	5.1
116.92857	5.0
119.03472	2.7
121.02884	2.5
125.02434	3.2
133.96248	2.2
165.02002	2.9
171.10289	3.0
177.70326	2.4
179.05588	3.0
195.13927	2.9
199.09726	4.7
201.11305	3.0
207.10220	2.6
209.11792	3.8
211.13387	11.8
223.13368	3.5
235.08145	3.6
275.20148	3.7
287.07553	2.8
289.18399	2.1
291.19754	4.5
293.21216	100.0
294.21548	10.8
350.87372	2.4
362.34875	2.7
397.13443	39.7
415.14536	46.7
460.43958	2.2
598.49152	2.0
637.33240	2.1
691.35559	21.1
692.36584	5.5
727.33136	74.8
727.98114	2.5
728.33203	19.8
755.24146	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	727.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31035	1.3
54.73629	1.0
55.01869	3.7
57.03438	8.7
59.01374	41.7
64.64606	1.2
67.01887	2.5
68.99799	2.3
69.03446	9.4
69.44341	7.6
71.01008	1.9
71.01376	20.8
72.99319	2.9
73.02942	14.8
75.00857	2.9
79.13879	1.2
81.03455	5.2
83.01380	4.9
83.05016	4.0
85.02943	80.6
86.03286	3.3
87.00872	100.0
88.01228	1.7
89.02428	2.0
93.03448	5.3
95.01385	21.1
96.01726	1.4
97.02943	32.4
98.03308	1.6
98.20689	2.2
99.00863	2.9
99.04506	5.0
101.02428	2.3
103.03998	8.4
109.02945	8.4
111.00877	11.0
111.04553	1.6
113.02442	18.9
113.60851	1.3
115.00378	11.9
115.04032	2.5
119.05026	2.4
123.04485	2.5
125.02415	4.0
127.04018	14.2
129.01907	6.0
137.02422	3.9
139.00359	13.4
139.04005	2.1
141.05556	1.3
145.05054	6.7
147.02959	2.3
150.05568	1.5
151.03925	1.2
153.01923	1.8
155.03493	3.4
157.01411	9.6
159.04222	1.3
163.04018	1.6
169.04962	2.4
171.02937	1.9
173.04619	2.3
175.02464	58.7
176.02815	1.6
191.01945	9.3
193.05003	1.8
195.05060	4.6
199.02461	37.2
200.02809	2.8
209.02985	6.8
217.03514	20.0
223.04333	2.0
303.07193	22.8
304.07309	1.6
321.08289	8.6
323.13730	1.4
341.08472	1.5
345.08228	10.7
355.06506	1.3
385.07407	2.6
387.09293	20.9
388.09760	1.7
405.10422	9.3
562.26312	1.2
563.12775	2.7
583.97345	1.3
623.14532	7.9
624.14716	2.6
685.18048	2.6
709.18353	19.1
710.18304	2.3
727.19458	29.1
728.20331	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	727.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00326	0.6
55.01865	1.9
55.27717	0.6
57.03448	12.9
59.01384	7.6
69.71635	3.5
71.01380	8.2
71.67632	0.6
72.99300	2.6
73.02947	0.7
75.00876	7.2
77.43698	0.7
78.95885	1.9
83.01367	4.3
84.02177	1.7
85.02946	100.0
86.03287	2.8
87.00893	2.5
89.02447	1.8
95.01378	1.3
96.96028	0.9
98.19845	0.6
99.00883	1.9
101.02451	1.8
103.00343	1.2
108.04566	6.2
109.02908	0.9
109.04871	0.7
111.00868	8.0
113.02441	1.7
115.00401	0.7
119.05026	6.8
121.02901	0.8
125.02451	1.2
129.01932	15.5
130.02219	0.7
133.01399	1.9
134.03728	4.7
135.04489	0.9
139.00397	1.3
139.32249	0.7
147.02994	11.2
149.06007	1.0
150.05579	6.6
151.05902	0.7
154.42165	0.6
159.02995	1.1
163.03999	8.1
165.04140	0.7
173.00894	2.0
177.04018	1.1
191.01968	56.8
192.02316	1.9
193.05060	2.9
195.05089	18.2
205.03542	5.4
209.03026	38.0
210.03325	1.7
223.04576	12.7
224.04955	1.6
225.91679	0.7
261.08905	0.9
289.07391	0.7
317.06540	1.0
331.85733	0.7
341.08795	8.2
355.06662	2.3
356.10117	0.9
357.08813	3.0
369.08301	2.9
371.09848	1.4
385.07721	18.3
386.07986	0.9
479.11966	1.8
517.14532	0.7
521.12451	1.1
535.14496	1.6
727.18097	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.2
57.03163	0.8
57.03447	17.0
59.01378	4.9
67.01881	1.3
70.38175	2.2
71.01376	8.1
72.99315	1.6
73.02932	2.2
75.00866	3.6
83.01381	8.6
83.18697	0.7
84.01678	0.7
84.02168	1.4
85.02946	93.6
86.03285	4.1
87.00873	1.2
89.02431	0.8
96.95998	1.2
99.00865	1.0
101.02433	6.3
108.04553	100.0
109.04890	2.9
111.00882	28.1
119.05029	10.5
122.71852	0.7
125.02441	1.0
129.01936	41.9
130.02292	0.6
133.01436	1.5
134.03752	0.7
137.02429	0.9
138.29822	0.6
145.02975	0.9
147.03000	2.2
150.05598	99.5
151.05954	3.6
159.02962	0.9
161.04575	5.0
163.04008	10.2
177.04041	1.2
178.28253	0.6
187.02475	2.3
191.01988	11.2
192.02357	1.6
195.05075	7.2
205.03513	38.7
206.03793	1.5
209.03000	16.3
210.03348	3.7
223.04573	56.2
224.04971	1.8
237.46327	0.7
312.10931	2.5
317.06543	0.9
341.08688	1.7
355.06631	3.2
356.05917	0.9
356.10162	9.3
357.08398	2.0
369.08243	34.6
370.08533	3.8
385.07977	1.2
479.11887	1.1
580.15063	0.7
636.23511	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.0
61.98824	9.9
69.99319	4.2
71.01362	5.7
85.02959	1.3
86.34780	1.2
89.02448	2.8
92.06414	1.1
94.71955	1.1
96.95972	1.7
97.06564	3.5
98.12284	1.1
99.38380	1.0
101.02451	3.2
113.02457	2.6
121.02959	2.3
135.04483	1.4
151.11284	11.3
151.58282	1.0
161.04488	1.6
169.12337	74.0
170.12729	2.2
195.10226	1.4
195.14023	2.5
213.11285	8.9
223.13344	2.1
235.08289	1.9
253.09203	2.5
271.09659	3.1
275.20041	1.8
293.21228	9.6
449.20245	4.8
725.41168	100.0
726.41364	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	725.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.8
59.01376	12.1
59.74340	0.4
60.97605	0.4
61.98822	1.6
69.03451	2.3
69.38269	3.0
71.01382	3.1
71.05008	0.9
73.02940	0.9
76.30877	0.4
78.95894	1.6
83.01451	0.4
83.04997	0.4
85.02932	0.5
85.06585	0.7
87.00882	0.5
89.02425	1.9
95.05007	0.6
97.02973	0.5
101.02442	3.0
109.02934	0.6
109.06616	0.9
111.08114	0.7
112.61300	0.4
113.02415	1.1
119.03499	0.7
121.02930	1.8
122.03684	0.5
125.09712	0.6
135.04535	1.1
135.11819	0.4
143.03485	0.4
150.43896	0.4
152.99611	0.5
161.04498	1.2
161.13272	0.5
167.10773	3.2
169.12381	0.6
171.10237	0.6
179.05614	0.8
179.10773	1.4
179.14394	3.7
184.09236	0.4
195.13899	10.8
196.14211	0.6
197.11816	12.2
198.12134	0.7
205.12323	10.1
209.11792	0.7
211.13535	0.5
223.13382	100.0
224.13716	7.3
225.11403	0.5
235.08224	3.8
253.09261	6.5
254.15793	0.4
271.09781	5.5
272.10098	0.5
291.19583	1.3
293.21127	0.5
309.20703	4.0
411.25482	1.1
420.96042	0.5
429.26459	0.8
441.21246	2.1
459.22284	16.9
460.22729	2.0
517.60052	0.5
572.47778	0.4
621.33392	0.9
647.34662	2.7
665.35229	3.8
666.36029	0.9
691.46698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1929
Annotation	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.11576	0.5
59.01366	1.9
63.02397	1.1
65.00337	1.3
70.20451	0.8
70.20834	0.7
75.00887	0.5
83.01389	0.8
85.02938	0.5
98.20534	0.5
107.01385	2.0
109.02931	1.0
111.12347	0.3
113.02516	0.4
119.04986	0.4
132.02129	0.6
133.02940	4.5
134.03720	0.4
146.67691	0.4
149.02435	1.0
151.00345	4.9
163.00360	0.7
163.03911	0.6
175.04016	2.0
175.35478	0.4
177.01900	0.5
178.99789	0.7
183.04538	0.6
185.06039	0.5
199.04010	2.6
200.04691	0.4
201.01935	0.8
211.04031	1.3
212.04468	0.4
215.03465	0.5
217.05070	1.4
227.03474	10.9
228.03935	0.9
229.04930	0.6
239.03731	0.4
241.05058	0.9
243.02869	0.8
245.09256	0.6
255.02969	19.0
256.03598	4.4
257.04575	1.1
283.02515	0.9
284.03247	69.9
285.04004	95.3
286.04385	6.8
299.01886	0.7
309.04053	1.1
314.04416	0.5
315.05112	1.4
327.05002	1.0
552.72437	0.5
575.14502	0.5
579.13605	0.6
593.14984	0.9
725.19275	100.0
726.19574	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	725.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.4
63.02400	1.0
64.34254	0.4
64.90958	0.4
65.00329	1.1
70.17397	1.2
73.02919	0.4
74.02455	0.7
74.63334	0.3
75.00879	0.5
80.79055	0.4
83.01402	1.3
85.02937	0.9
89.23962	0.4
96.96017	0.4
98.15160	0.3
107.01374	2.6
109.02949	0.9
113.02441	0.7
119.05028	0.5
121.02995	0.5
123.04469	0.4
125.02414	0.5
133.02960	4.2
134.03712	0.6
135.00850	0.6
137.02435	0.5
149.02458	1.4
150.03218	0.5
151.00368	5.4
152.01166	0.5
161.64114	0.4
163.00301	0.6
163.03993	0.7
167.04820	0.4
171.04597	0.5
175.03964	2.5
177.02069	0.6
183.04544	0.6
185.06039	0.6
187.03923	0.5
199.03975	1.8
200.04825	0.6
201.01996	0.6
211.03972	0.7
213.05586	0.4
215.03545	0.7
217.05081	0.9
227.03477	13.5
227.05760	0.7
228.03874	0.6
229.05072	0.6
239.03514	1.1
240.04189	0.6
241.04980	1.0
243.02989	0.9
245.09283	1.1
255.02979	22.0
256.03665	5.0
257.04553	1.5
272.79889	0.4
276.69925	0.4
283.02524	1.5
284.03253	70.1
285.04001	95.0
286.04425	6.3
291.86945	0.4
297.04083	0.5
309.04092	0.9
315.05103	0.7
327.05075	0.8
475.99182	0.4
575.14331	0.5
593.15100	1.2
598.03455	0.4
639.13336	0.4
725.19299	100.0
726.19598	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40177	0.7
59.01378	1.8
64.86597	0.7
71.01370	1.4
75.00861	3.6
75.19787	0.7
79.09052	0.8
83.01387	1.7
85.02929	1.7
96.96030	0.9
99.04545	1.0
107.01369	1.1
107.41274	0.7
108.02169	3.2
113.82246	0.9
119.05019	2.6
125.02454	1.0
129.01927	1.9
134.03746	1.2
137.02443	1.1
148.01773	0.8
151.00366	5.4
152.01134	4.1
163.00404	1.7
163.03963	2.2
164.01227	1.2
186.03139	1.3
191.05679	1.1
193.04977	1.0
199.03923	1.2
199.31789	1.0
205.03499	1.3
209.06650	6.5
211.07620	0.8
214.02747	1.2
215.06686	0.7
225.34892	0.8
227.03474	2.8
238.42186	0.8
241.01500	1.1
242.02144	14.7
243.02950	19.0
244.03363	2.2
245.00873	2.0
245.09344	1.4
255.02922	1.6
257.04364	5.5
270.01685	22.3
270.04605	1.5
271.02426	20.3
272.02744	1.4
283.02182	1.2
285.04019	16.7
286.04745	4.0
298.01169	5.1
299.02054	8.5
299.05362	1.6
300.02747	22.9
301.03207	1.7
301.07162	0.8
312.02979	0.9
313.03516	64.5
314.04245	41.0
315.05066	60.8
316.05450	4.6
327.05045	1.7
327.08701	2.6
339.04858	1.0
356.05371	2.0
357.06226	6.1
369.89401	1.0
381.05942	1.0
402.84879	0.9
456.40881	0.9
461.07220	2.1
476.09457	6.7
477.10272	17.2
478.10580	2.0
519.11365	100.0
520.11682	17.4
561.12537	12.5
562.12671	1.8
585.12183	1.4
639.15326	1.2
681.16644	46.5
682.16876	8.1
725.19366	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	724.464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45119	0.5
61.98830	100.0
71.52727	0.4
78.95911	1.0
84.86486	0.4
171.10268	0.9
221.59738	0.4
255.23276	1.1
279.23465	0.5
535.50482	0.5
725.39844	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.4
55.22076	0.5
57.03447	13.1
59.01381	6.8
60.09691	0.6
61.29019	0.5
62.04507	0.5
68.99802	1.5
70.01115	1.5
70.01509	1.1
71.01373	8.1
72.99300	1.9
73.02930	1.1
75.00863	2.6
83.01384	4.7
84.02158	2.1
85.02946	100.0
86.03277	1.3
87.00883	1.8
89.02450	2.2
90.52498	0.5
96.95993	0.9
98.19987	0.7
99.00870	0.7
101.02441	2.6
103.00371	1.7
103.94842	0.6
108.04556	16.8
111.00158	1.0
111.00873	11.3
115.00378	0.8
117.81897	0.6
119.05045	4.0
129.01935	16.7
133.00520	0.8
133.01411	4.7
145.02852	0.6
147.02977	9.0
150.05594	18.2
161.04572	1.4
163.04016	3.7
173.00882	2.2
187.02455	0.9
191.01958	48.1
192.02298	1.9
205.03523	11.8
209.03011	83.1
210.03346	2.1
223.04561	19.3
302.63965	0.7
327.08716	0.9
337.05774	1.0
355.06665	27.0
356.06903	2.1
356.10535	1.1
369.08218	9.4
383.49121	0.6
465.28647	0.7
724.11426	0.7
725.15802	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07009	0.3
57.91066	0.3
61.98828	100.0
69.46161	0.5
69.46573	1.7
78.95918	1.5
80.96530	0.8
83.64967	0.3
86.18118	0.3
90.00555	0.3
92.86465	0.3
110.72978	0.3
141.76225	0.3
152.99632	1.2
171.10310	0.7
209.11839	0.7
210.12054	0.7
225.00702	0.4
227.13187	0.3
241.01131	0.4
255.23419	0.5
458.58606	0.3
487.19727	0.4
488.19916	0.7
606.36035	0.3
618.06317	0.3
724.41418	1.3
725.38049	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	723.4319
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
57.03453	0.9
59.01159	0.6
59.01381	7.0
61.98831	24.9
67.10473	0.6
68.33650	0.6
70.58266	0.9
70.58622	1.4
70.72099	0.6
71.01379	5.3
73.02937	1.9
78.95898	0.8
83.01372	0.7
85.02960	1.6
87.00847	1.0
89.02454	3.0
97.06577	1.1
101.02428	5.0
106.21155	0.6
111.08157	1.7
113.02451	2.7
119.03513	1.1
120.57556	0.7
133.05063	0.6
143.03510	0.8
145.05045	0.7
152.99472	0.8
161.04543	1.9
165.12833	8.8
173.92366	0.7
179.05649	0.7
183.13889	72.6
184.14290	4.3
190.91431	0.7
209.11816	4.2
227.12894	4.7
235.08182	1.5
253.09291	5.0
275.20062	0.9
277.21704	97.0
278.22061	10.3
279.10147	0.8
445.20822	1.8
463.21716	2.0
513.30902	0.9
705.36060	1.3
723.43231	100.0
724.43524	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	723.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36904	0.5
59.01384	4.8
61.98830	8.8
70.58580	1.2
71.01388	5.8
73.02950	1.7
78.95907	0.9
83.01414	0.7
85.02942	1.1
87.00883	1.1
89.02442	3.6
97.06583	0.5
99.00911	0.5
100.00501	0.7
101.02421	3.8
105.53174	0.5
110.94521	0.6
113.02454	1.8
119.03496	1.2
129.30698	0.6
152.21527	0.5
153.34447	0.5
161.04520	1.5
165.12820	6.1
183.13893	100.0
184.14244	5.7
209.11902	3.0
227.12894	6.0
235.08186	2.1
253.09274	4.7
277.21716	34.4
278.22153	2.5
281.40634	0.5
301.10580	0.7
419.22748	0.9
445.20535	0.8
463.21725	4.1
723.43219	61.6
724.43549	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42541	0.2
55.43304	0.3
59.01375	4.0
61.98827	1.3
71.01379	3.7
71.53068	0.4
73.02943	0.7
78.95887	0.3
80.02687	0.8
81.03461	0.9
83.01383	0.7
83.05022	4.6
84.02173	0.5
85.02954	0.9
87.00871	0.9
89.02428	2.0
95.05031	0.5
101.02432	2.6
113.02450	1.4
115.59864	0.3
119.03519	0.7
121.50431	0.3
125.06075	0.5
131.03490	0.3
135.08141	0.6
143.03477	0.3
145.04997	0.4
161.04536	1.4
163.11290	3.2
165.12830	1.9
167.10661	0.2
179.05580	0.3
181.12389	0.5
185.12067	0.3
191.10757	0.9
194.77707	0.3
199.13376	0.8
202.34543	0.3
206.33276	0.3
207.10197	0.3
209.11816	100.0
210.12148	6.0
227.12886	12.1
227.14877	0.3
228.13162	1.0
233.22716	0.4
235.08211	4.1
253.09291	9.9
254.09691	0.4
259.20688	0.4
275.19998	0.3
277.21704	84.1
278.22055	8.3
445.20905	1.3
463.21564	0.4
723.43066	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
59.01381	5.7
61.98822	1.6
71.01380	4.4
73.02929	1.3
75.00861	0.8
80.02663	0.9
80.96527	0.6
81.03454	1.1
83.01404	1.0
83.05025	4.2
84.02145	0.9
85.02950	1.4
87.00852	0.6
89.02434	1.5
95.05048	0.8
96.95998	1.0
101.02430	2.4
113.02444	2.5
114.54189	0.4
119.03503	0.6
125.02397	1.2
125.06100	0.7
125.09734	1.5
127.11294	1.2
135.08119	1.0
161.04602	1.6
163.11305	3.3
165.09235	1.0
165.12881	1.7
171.10287	3.5
172.10526	0.6
181.12323	0.8
195.06505	0.7
199.13362	0.6
201.11319	22.5
202.11592	1.0
209.11819	100.0
210.12126	6.5
227.12868	14.3
235.08351	3.3
238.67259	0.5
253.09302	8.1
268.03735	4.5
269.03790	0.6
283.06055	7.5
284.06351	1.2
325.20316	0.9
437.20169	0.8
445.20682	3.8
446.20935	0.6
454.14264	0.5
531.05786	0.5
629.32172	1.5
637.32990	0.7
679.34283	0.6
723.36707	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.6
57.03441	6.6
58.00581	3.6
59.01376	68.1
61.98816	4.2
67.01910	1.1
69.03454	5.6
70.78967	3.3
71.01376	72.3
72.01721	1.3
72.99297	5.1
73.02940	8.1
75.00851	1.1
80.02685	1.6
81.03454	6.7
83.01384	12.6
83.05006	3.6
85.02952	14.7
87.00874	11.1
89.02438	50.3
89.88540	1.2
91.04002	1.5
93.03468	1.5
95.01350	3.6
95.05008	4.4
97.02953	12.9
97.06572	11.5
99.00879	3.7
99.04501	1.5
101.02433	47.2
102.02745	1.2
103.06379	1.1
107.05006	1.2
109.02938	1.6
109.06560	3.3
111.04510	1.7
111.08124	1.4
113.02445	24.4
115.03976	1.0
119.03487	18.3
119.08644	1.6
121.06587	3.1
122.12605	1.1
123.04511	5.9
123.08126	3.5
125.02434	12.2
125.06017	1.4
125.09725	17.8
126.30924	1.1
131.03539	1.4
135.08160	3.0
136.05295	1.7
137.05989	1.7
137.09689	6.4
141.09239	1.1
141.12868	1.5
143.03502	7.0
149.04529	2.2
149.06084	2.0
151.11250	1.9
161.04553	7.8
163.07651	1.0
163.11298	14.2
165.12791	4.1
166.13258	1.1
167.10767	4.9
169.95996	1.1
171.10254	6.2
179.05644	9.0
179.10780	2.2
181.12302	3.2
183.13722	1.2
185.11804	18.5
191.10719	3.6
191.14392	16.3
197.11856	1.8
199.13403	1.8
207.10237	9.6
209.11806	47.4
210.12082	5.3
211.13412	6.2
212.13689	1.2
217.16031	2.0
221.06584	3.9
225.11269	8.4
226.11456	1.2
227.12871	14.5
228.13214	1.4
235.08162	12.1
237.11269	4.3
237.37056	1.2
245.19073	30.1
246.19437	3.6
253.09198	4.3
263.07755	1.9
263.20126	6.6
268.03735	4.4
271.17007	2.8
281.21204	2.7
283.06052	7.4
287.07584	1.5
289.18066	100.0
290.18451	9.0
307.19131	76.5
308.19418	6.5
309.20554	2.0
319.20303	1.3
325.20135	3.2
397.13498	20.2
415.14496	23.4
416.14609	2.2
481.35281	1.2
607.25848	4.5
691.34521	1.6
705.34991	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85254	1.0
59.01379	29.5
59.49008	1.2
61.98829	19.9
66.91959	1.2
69.03453	1.5
70.08464	2.5
70.08855	2.6
71.01373	10.8
73.02938	2.4
78.95901	2.0
78.98586	4.5
79.95735	11.0
80.96516	61.8
83.01426	1.2
85.02928	4.6
87.00879	1.9
88.98820	1.2
94.98076	16.7
96.95985	3.2
97.02972	1.2
101.02423	4.8
106.98074	2.7
113.02436	1.5
122.97572	2.0
125.02436	1.9
134.97554	4.0
136.99123	1.9
148.99153	5.7
152.98615	3.8
164.98634	13.5
171.10283	1.7
183.13869	4.4
189.12323	1.0
194.81041	1.1
206.99687	3.0
207.10219	1.4
209.11758	4.1
209.36008	1.1
211.13467	1.9
223.13431	1.4
224.98703	1.5
225.00740	22.8
227.12720	1.1
240.39209	1.1
268.03671	3.0
283.06042	7.7
476.43292	1.2
509.16638	2.1
581.40369	1.9
623.41534	3.6
723.32660	100.0
724.32800	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08274	0.2
59.01381	0.4
59.93779	0.2
61.98829	100.0
62.19077	0.2
62.98531	0.4
67.26181	0.2
71.21825	0.5
78.95909	0.5
85.04900	0.2
103.62939	0.2
119.90288	0.2
209.11871	0.3
227.12971	0.3
277.21909	0.3
277.44543	0.3
313.82220	0.3
344.53918	0.2
372.12643	0.3
464.77719	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95431	0.2
59.01371	0.4
61.98830	100.0
70.07149	0.8
77.51254	0.2
78.95924	0.4
98.20671	0.2
152.99622	0.4
164.80603	0.2
175.81993	0.2
198.66469	0.2
206.70258	0.2
209.11853	0.5
277.21646	0.3
278.22067	0.3
472.01901	0.2
557.26660	0.2
617.61908	0.2
723.41058	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
59.46490	0.0
61.98787	0.1
63.02370	0.3
65.00002	0.1
65.00349	0.2
71.01061	0.0
71.01379	0.5
72.99290	0.1
73.02941	0.3
83.01364	0.2
83.47850	0.0
85.02913	0.2
87.00858	0.1
89.02031	0.0
89.02438	0.5
96.95978	0.2
101.01893	0.0
101.02444	0.6
103.03958	0.2
107.01411	0.3
113.02385	0.1
115.04016	0.1
115.91745	0.0
116.24378	0.0
117.03485	0.2
119.03491	0.1
125.02399	0.1
131.03534	0.2
143.03485	0.3
145.05069	0.1
148.01649	0.1
149.99509	0.1
151.00343	0.5
163.06140	0.5
167.04961	0.1
171.04500	0.2
172.05276	0.1
184.05339	0.1
184.92043	0.1
191.05566	0.1
195.04483	0.1
196.05260	0.2
199.03917	0.1
200.04703	0.1
205.07182	0.7
211.03957	0.3
212.04776	0.2
224.04630	0.1
239.03438	0.8
240.04260	1.2
241.04713	0.1
267.02982	0.5
267.06519	0.1
268.03748	56.0
269.04092	4.1
269.07156	0.1
281.04517	0.3
283.06100	100.0
284.06430	7.8
290.05707	0.1
297.07516	0.1
305.08176	0.2
311.05499	0.1
325.07175	1.2
326.07529	0.1
332.07327	0.0
349.07111	0.2
367.08228	0.2
444.24472	0.1
457.11459	0.5
458.11710	0.1
551.51971	0.0
573.15826	0.1
577.15533	0.1
723.21252	0.9
724.22101	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57246	0.6
57.03448	3.2
59.01381	10.4
71.01382	18.8
71.05016	2.8
71.52541	0.8
72.99303	2.0
73.02942	1.1
75.00869	22.4
78.20100	0.6
78.81049	0.7
81.86915	0.6
83.01389	2.1
84.02165	0.7
85.02953	13.4
87.00878	3.6
88.04050	1.7
89.02451	6.2
93.03407	0.8
96.95998	1.2
99.00868	5.2
101.02437	4.3
111.00865	3.4
113.02427	2.1
119.03596	1.3
119.05025	45.4
120.05378	1.6
125.02404	3.2
128.07152	0.9
129.01947	18.2
137.02449	1.9
141.01906	1.7
145.02948	0.9
146.08231	24.5
149.04503	0.7
159.03038	6.0
161.04523	1.1
163.03999	71.9
164.04337	3.6
177.01955	0.9
177.02406	1.0
177.04033	9.0
180.50186	0.7
195.05087	100.0
196.05435	3.8
200.09312	0.8
204.50108	0.7
205.03438	1.3
209.03023	0.7
223.04605	2.0
308.13483	3.6
341.04498	1.7
341.08749	70.8
342.09119	6.4
380.15601	80.3
381.15976	4.9
399.09558	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92928	0.2
53.16824	0.1
59.01383	0.2
61.98829	100.0
63.38057	0.1
63.80269	0.1
70.37053	0.2
70.37396	0.4
70.79271	0.1
78.95919	0.3
107.41708	0.2
113.05334	0.1
147.32970	0.2
152.99576	0.2
176.25473	0.1
197.38007	0.2
209.11913	0.5
233.23457	0.1
235.42943	0.1
296.79767	0.2
401.33270	0.1
472.27060	0.2
723.41138	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16811	0.7
54.36163	0.8
55.01859	0.8
57.03433	2.5
59.01376	10.2
61.15794	0.9
61.98827	33.2
69.03445	1.6
70.14169	1.8
70.14534	1.5
71.01374	7.8
71.05002	2.2
72.99287	0.8
73.02946	1.6
74.72470	0.8
74.96461	0.7
80.96502	4.7
81.03440	1.9
83.01359	1.4
83.05013	3.3
85.02937	3.0
87.00857	1.3
89.02439	3.4
94.98066	1.4
95.05030	1.1
96.95983	1.1
97.02930	3.7
97.06580	3.0
99.00879	14.1
99.01482	0.6
101.02460	4.2
109.06581	1.4
113.02442	4.0
117.63768	0.7
119.03485	1.2
123.08144	1.6
125.02421	1.3
125.09700	6.1
127.11337	1.0
142.02687	1.4
161.04514	1.2
162.02760	0.9
163.10068	1.0
163.11287	12.9
165.12819	2.1
171.10252	16.2
179.05516	1.1
181.12334	15.5
182.12718	0.9
191.10666	0.9
197.11739	1.4
199.13385	8.7
203.63892	0.8
207.10258	21.1
208.10576	1.5
209.11807	50.1
210.12115	3.3
210.52710	0.8
211.13367	1.4
225.00679	2.2
225.11302	33.6
226.11636	2.4
227.12865	5.3
235.08223	1.3
243.12331	15.9
253.09335	3.8
445.20834	1.3
461.20099	3.2
479.21475	4.3
497.27725	1.1
515.28723	0.9
671.32843	1.9
677.34705	1.3
689.33820	100.0
690.34192	19.6
696.23383	0.8
721.32526	6.7
722.32660	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	10.4
61.98828	27.5
69.18844	9.1
69.19245	3.0
71.01381	79.9
71.92438	1.1
73.02937	2.9
75.00852	1.3
80.02686	2.0
80.96511	1.8
81.03433	2.5
83.05013	4.9
85.02933	3.5
87.00846	1.8
89.02443	3.7
95.04992	1.7
97.02962	4.0
99.00878	3.5
101.02418	6.5
109.06605	10.8
113.02419	1.9
121.03136	1.2
122.74506	1.4
125.09660	1.7
135.08112	1.4
139.07642	1.4
142.02711	1.9
151.15201	1.1
161.04541	1.9
161.09767	2.1
161.65228	1.3
163.11284	12.3
165.12776	2.7
171.10277	19.8
181.12347	6.8
185.11798	2.7
186.09502	1.3
191.10751	1.4
199.09792	1.6
199.13399	3.1
201.11296	7.8
207.10240	34.8
208.10506	2.7
209.11815	100.0
210.12105	5.9
211.13451	2.8
215.12865	2.3
225.11296	30.9
226.11725	2.6
227.12901	13.3
228.13231	1.4
235.08170	3.3
243.12306	2.9
253.09283	10.4
399.21817	1.9
417.23090	1.4
461.20096	7.1
500.62085	1.3
635.30878	1.9
653.31934	3.1
671.32623	4.4
672.33624	2.6
689.34235	7.6
690.34186	2.1
721.35168	6.4
722.35931	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87037	1.6
57.03461	2.5
59.01379	17.4
61.98827	13.4
70.41118	1.3
71.01407	16.3
71.05034	3.5
73.02940	2.2
75.00858	1.7
80.96517	3.8
81.03490	2.4
81.77522	1.4
83.01427	2.3
83.05005	7.4
85.02988	4.6
87.00915	1.7
89.02431	7.4
94.98079	1.5
96.96012	3.7
97.02961	4.1
97.06622	2.4
99.00875	19.7
101.02456	8.9
109.06644	2.6
113.02475	4.9
119.03488	2.6
123.08186	1.9
125.02479	2.6
125.09745	6.4
132.09941	1.6
135.08246	1.4
136.14873	1.4
161.04570	2.4
163.11275	16.5
165.12895	3.7
167.86806	1.5
171.10313	6.7
181.12321	18.0
187.71034	1.6
191.10797	1.6
197.11877	2.1
199.13367	25.1
207.10255	34.3
208.10683	1.8
209.11807	91.3
210.12228	5.7
210.25856	1.5
225.00928	1.7
225.11301	68.8
226.11700	4.6
227.12868	10.6
243.12321	19.8
253.09372	4.8
266.61304	1.6
268.03751	1.7
275.20822	1.6
284.03329	2.7
285.04105	2.4
285.57538	1.5
299.05618	5.8
461.20120	7.7
479.21600	3.5
515.29016	3.2
653.32269	3.4
671.33063	5.3
689.33850	100.0
690.34070	16.2
721.36890	55.7
722.37592	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	721.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
55.82452	0.7
57.03452	0.9
58.00595	1.2
59.01379	31.4
61.53646	0.7
61.98832	8.5
69.03455	1.4
69.22856	7.1
71.01379	29.0
72.99307	2.1
73.02939	4.5
78.95889	1.3
81.03450	0.9
83.01371	2.3
85.02941	7.6
87.00888	5.2
89.02446	23.7
95.01385	2.2
97.02942	4.8
101.02447	20.7
103.28323	0.8
104.57309	0.7
111.04473	1.1
113.02436	11.7
118.42915	0.7
119.03479	6.8
125.02427	8.4
131.03535	1.4
133.05086	0.7
139.03983	1.1
143.03493	3.6
152.99559	1.3
161.04591	4.1
179.05640	3.3
209.11768	2.1
232.94922	0.8
235.08208	10.5
253.09250	2.7
263.20135	60.2
264.20389	5.0
287.07623	2.7
305.08734	4.8
379.12076	1.2
397.13470	100.0
398.13742	8.7
415.14536	29.3
416.14789	3.1
661.34369	2.8
662.34351	1.0
748.57019	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	32.4
61.98828	40.0
69.03452	1.9
71.01017	2.1
71.01380	29.5
71.53787	3.1
72.04646	1.8
73.02929	4.0
78.95901	13.9
83.01395	2.3
85.02965	9.3
87.00861	8.5
89.02441	22.4
97.02917	6.3
101.02441	24.1
113.02431	10.2
119.03465	6.5
125.02419	13.2
143.03445	3.2
152.99582	4.6
155.51874	2.2
161.04507	4.7
174.98572	1.8
179.05612	4.4
190.73222	2.0
209.11728	10.7
211.13412	2.6
225.11305	2.3
235.08189	8.3
248.30440	2.3
263.17505	3.6
263.20142	60.5
264.20529	6.8
269.04395	2.7
287.07681	3.1
322.22122	2.2
397.13458	100.0
398.13809	7.2
415.14639	27.2
538.38708	2.4
575.17792	2.0
630.27167	2.4
661.33893	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.3
57.03436	0.5
58.00595	0.4
59.01378	100.0
60.01714	1.2
69.24315	0.7
69.24714	1.9
71.01376	10.4
72.99304	2.5
73.02943	3.0
75.00879	0.8
78.47994	0.3
79.95740	0.4
83.01385	1.4
85.02946	3.3
87.00898	0.6
89.02443	6.5
95.01405	0.9
96.96007	10.9
97.02917	0.3
97.06577	0.7
99.00883	1.9
101.01392	0.3
101.02437	7.1
108.02213	0.3
109.06559	0.4
111.00900	0.3
112.98801	0.9
113.02444	4.0
117.01976	1.6
119.03477	2.0
119.05026	0.4
121.06591	0.4
125.02414	1.6
125.06110	0.8
133.06575	0.4
135.03021	0.3
135.04567	0.4
137.02490	0.5
139.07648	0.8
142.99861	4.7
143.00902	0.4
143.03456	0.5
149.06139	1.1
153.05524	1.8
159.03001	0.6
161.04552	3.5
167.07152	1.6
169.12375	0.5
171.06667	0.3
173.00974	1.4
174.01714	1.8
179.05708	0.3
181.08739	0.7
193.05051	0.9
211.06157	0.4
223.94351	0.3
225.07608	1.7
271.08401	1.3
289.07166	1.3
303.05038	0.3
303.10666	0.3
308.07080	0.3
313.16660	1.2
331.17590	8.9
332.17947	0.6
373.18655	19.5
374.19058	1.8
405.39517	0.3
445.93149	0.3
548.31622	0.3
641.21027	0.3
724.16327	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69354	0.2
59.01379	2.7
61.98829	100.0
69.54686	1.6
69.55044	0.3
71.01381	0.5
81.99856	0.3
83.96303	0.2
89.02451	0.3
98.19878	0.4
101.02436	0.2
113.02416	0.3
123.71279	0.2
125.93605	0.2
142.63104	0.3
167.10780	0.4
182.26430	0.2
183.11975	0.3
193.72121	0.2
195.13942	1.0
205.12378	0.5
209.12088	0.4
223.13374	7.0
224.13760	3.1
235.08078	0.3
253.09373	0.9
274.23593	0.2
276.49298	0.3
277.21722	4.8
278.22021	3.0
281.24844	0.3
459.22485	0.7
460.22574	0.6
623.27576	0.4
627.12616	0.3
720.44800	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	81.9
57.36432	0.9
58.03787	1.0
59.01377	19.1
69.03447	2.1
71.01380	7.5
71.53036	1.1
73.02949	2.8
74.02463	3.3
75.75778	0.9
76.13526	0.9
79.66153	0.9
81.03455	2.0
83.01373	2.0
84.46240	1.0
85.02949	5.1
89.02477	1.0
95.01419	1.0
97.02946	15.2
99.04515	76.4
100.04851	1.3
101.02435	22.1
107.55750	1.0
109.02961	1.3
113.02422	2.9
123.04551	2.0
125.02443	100.0
126.02779	2.2
129.01984	1.2
131.57697	1.0
132.04483	1.7
137.02383	1.9
143.03479	6.9
161.04573	5.7
163.04018	1.6
167.03493	1.2
203.05580	6.6
203.07179	1.5
205.03505	1.4
223.04552	1.2
243.08702	3.3
245.08139	1.2
261.08847	1.7
287.07874	1.7
289.07135	7.7
299.54651	1.1
329.08694	9.3
359.08398	1.0
364.22571	1.2
369.11829	4.4
431.11942	41.0
432.12323	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	720.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33940	0.2
55.22233	0.2
55.91878	0.2
57.34633	0.2
59.01370	1.0
60.01728	0.4
60.86540	0.3
61.98829	100.0
62.10663	0.2
69.29948	0.6
69.30359	1.6
78.95912	0.3
315.65259	0.3
360.71970	0.3
602.21912	0.4
614.33228	0.3
720.22192	3.2
721.22772	0.8
743.85272	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.216
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35223	0.1
59.01377	1.5
60.01706	0.2
61.98829	100.0
62.98547	0.1
63.70589	0.1
64.68121	0.1
68.00548	0.1
69.26454	0.1
78.95913	0.1
90.35201	0.1
95.78733	0.1
110.33537	0.1
120.80713	0.1
137.53456	0.1
171.10196	0.1
181.37445	0.1
201.48244	0.1
211.13397	0.1
225.11482	0.2
250.26343	0.1
277.21707	0.2
291.19781	0.1
301.32413	0.1
485.43356	0.1
499.14185	0.2
513.16089	0.1
514.15485	0.1
547.15820	0.1
574.18658	0.2
601.21698	0.2
602.21942	0.4
660.21906	0.3
684.79822	0.1
720.22729	3.3
721.22101	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13145	0.2
61.98827	100.0
62.98542	0.3
69.30814	2.0
89.11932	0.3
98.20690	0.5
156.20029	0.2
207.10246	0.5
209.11896	0.3
225.11371	0.4
255.23296	0.2
277.21811	0.6
280.23694	0.3
418.02954	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52202	1.0
59.01386	8.1
69.41370	7.1
71.01376	4.9
75.14831	0.9
85.02946	2.2
89.02452	8.0
93.32906	1.0
96.96014	1.1
101.02420	2.7
111.82224	1.0
113.02440	2.7
119.03478	2.8
124.67367	1.1
131.03561	1.3
154.08614	1.1
161.04494	1.4
179.05582	3.5
197.02193	1.4
215.03261	3.9
279.96658	1.3
341.10876	20.8
342.11145	2.3
377.08527	100.0
378.08951	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	719.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
57.03432	1.5
58.61922	0.6
59.01376	8.1
61.98829	56.6
62.98545	0.7
62.99798	0.7
69.03431	4.1
69.34235	5.6
71.01385	6.9
71.05005	1.9
73.02933	1.1
80.02664	1.6
80.96483	1.7
81.03427	2.0
81.52319	0.6
83.01379	2.1
83.05026	6.7
84.02145	1.0
85.02947	2.3
87.00862	1.5
89.02454	3.5
95.01344	0.9
95.05001	0.8
96.95998	2.1
97.06580	1.3
99.00876	1.4
101.02438	4.7
108.02184	0.7
109.02921	0.9
113.02476	4.2
116.17218	0.6
119.03462	1.1
123.08118	1.8
125.02410	2.7
125.06091	1.1
125.09693	3.0
135.08144	1.0
137.09686	0.8
151.00359	0.8
151.11267	2.7
153.12831	1.9
161.04514	1.9
161.09679	3.4
163.11285	3.7
165.12802	1.9
171.10197	1.0
179.10738	7.7
181.12383	1.2
185.11806	0.9
191.10695	0.8
197.11810	70.4
198.12155	4.3
207.46846	0.7
209.11809	65.7
210.12129	4.1
211.13350	1.1
223.09622	0.8
225.96217	0.6
227.12851	5.5
241.10707	3.0
253.09273	1.9
319.08221	2.4
345.88153	0.7
347.07590	3.4
403.11386	0.7
474.16693	1.0
477.19827	1.7
643.27661	3.6
655.24127	1.0
687.32263	100.0
688.20538	1.4
688.32660	22.4
719.34949	28.6
720.36053	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	718.329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.6
61.98830	100.0
71.01392	0.4
71.53181	0.2
71.70244	0.2
78.95894	0.2
101.02416	0.2
118.95813	0.2
143.85133	0.2
157.08162	0.2
171.10245	0.3
183.14043	0.2
209.11797	2.0
210.12213	0.9
211.13409	2.8
212.13727	1.2
227.12924	0.4
253.09291	0.2
507.13232	0.3
719.39258	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.6
64.16108	0.7
69.55682	4.8
71.01370	5.3
89.02443	8.3
96.96039	0.9
98.19897	1.6
101.02441	2.6
113.02469	2.5
119.03495	2.4
131.03497	0.7
161.04538	1.2
179.05612	4.0
215.03253	4.3
308.54416	0.8
341.10818	19.3
342.11105	2.2
377.08539	100.0
378.08911	8.9
647.97266	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71469	0.8
57.99439	0.7
58.00597	0.9
59.01107	1.5
59.01379	18.1
60.96152	0.7
61.98838	1.4
62.42264	0.9
71.01386	12.7
71.53700	1.2
72.99300	1.6
73.02943	1.0
75.00887	0.9
80.02695	0.9
81.03455	1.5
83.01398	1.2
83.05029	5.2
84.02197	1.2
85.02957	3.3
87.00867	3.4
89.02451	13.4
89.02950	1.2
97.02945	1.8
101.02436	8.7
102.45520	0.8
109.06580	0.9
111.04473	0.8
113.02422	5.0
119.03505	3.7
125.02439	4.1
135.08153	1.4
143.03506	1.6
143.37782	0.8
149.02402	1.2
150.03209	2.5
150.91994	0.8
161.04504	2.7
163.03925	0.9
163.11287	5.3
165.05565	1.4
165.12836	2.7
179.05591	4.0
180.04230	0.8
181.12329	1.0
195.06697	1.1
209.11809	100.0
210.12161	5.5
221.06744	1.1
227.12852	17.5
228.13333	1.1
235.08321	4.6
253.09332	1.5
287.07596	2.0
305.08667	2.0
325.09201	1.9
329.13998	1.1
397.13477	67.5
398.13876	4.3
412.31931	0.9
415.14587	24.7
416.15048	1.6
477.18942	1.5
525.21124	1.4
555.22321	1.7
583.26697	0.9
607.26062	9.9
608.26587	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98825	29.7
69.17509	12.3
69.17927	2.8
83.87064	1.7
118.96080	1.5
152.99640	2.0
171.10211	1.6
364.82654	1.6
411.01349	1.4
453.11734	2.1
481.11096	3.6
496.13876	13.0
497.14355	7.0
498.15103	1.9
509.14117	1.7
510.15170	4.1
511.15854	7.3
512.16644	3.1
513.17810	3.6
530.14093	2.0
538.14569	1.8
544.15936	4.2
545.16064	2.2
551.16046	3.3
567.18799	10.0
570.17615	2.3
571.18121	6.6
583.18317	1.7
597.19672	2.8
598.20642	3.4
599.21490	33.1
600.21600	5.0
602.16418	2.3
625.19617	2.9
630.19788	3.0
643.20599	2.4
657.21881	18.7
658.22314	3.3
717.24097	92.4
718.24341	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.9
61.98827	100.0
62.96114	0.1
62.98536	0.2
64.29377	0.1
70.38416	0.2
71.01393	0.2
89.02461	0.1
95.53815	0.1
98.19965	0.1
101.02503	0.1
113.02442	0.1
126.58823	0.1
128.19205	0.1
148.41104	0.1
156.13347	0.1
234.35127	0.1
250.43320	0.1
255.23276	0.1
256.23724	0.2
257.24097	0.1
307.86249	0.1
383.03680	0.1
398.13797	0.2
399.14178	0.3
400.14343	0.2
417.15210	0.1
448.07245	0.1
496.13568	0.1
508.43646	0.1
511.16815	0.1
567.18945	0.1
599.22015	0.3
657.21838	0.1
717.23877	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88952	0.1
58.10550	0.1
59.01372	0.1
61.98826	100.0
62.98521	0.2
71.01373	0.2
83.20882	0.1
83.31966	0.1
89.02444	0.2
100.19962	0.1
139.78844	0.1
222.25861	0.1
250.94455	0.1
255.23337	0.2
256.23688	0.2
257.24039	0.1
388.98340	0.1
398.13962	0.2
399.14069	0.1
400.14255	0.2
500.83200	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	717.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63445	0.7
54.65614	0.6
59.01377	100.0
60.01705	1.1
61.98827	16.4
68.15266	0.7
70.52859	1.7
71.01374	0.8
78.95916	1.2
85.72134	0.7
209.11887	1.8
249.60205	0.8
256.23404	0.8
312.39166	0.7
438.09732	2.0
441.15768	1.0
453.11838	2.0
457.18930	1.4
459.16669	1.5
459.72867	0.7
467.13513	1.6
480.14304	1.0
481.11554	2.4
481.16272	0.7
482.11749	1.1
495.17154	1.3
496.13882	14.4
497.14258	9.4
498.15103	3.2
510.15237	5.0
511.15973	7.8
512.16547	3.7
513.17303	3.7
515.06378	0.8
526.14453	0.9
530.14056	0.8
538.14642	0.9
539.19373	2.3
544.16077	5.8
545.16040	2.1
553.16809	0.8
567.18860	10.4
568.19122	3.1
570.17548	1.7
571.18262	12.1
572.18799	2.9
583.18329	1.5
589.19281	1.2
597.19824	2.0
598.21045	3.7
599.21387	37.6
600.21600	9.8
602.16437	1.8
625.19775	1.3
630.19611	2.3
631.20081	1.5
657.22095	16.7
658.22253	6.2
717.24127	93.2
718.11755	1.5
718.24359	30.0
720.12262	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69333	0.3
59.01376	0.4
62.01781	0.4
69.26540	3.4
83.05003	0.4
95.34564	0.4
101.90960	0.4
225.16096	0.6
281.22708	0.4
523.13788	0.5
677.49933	1.9
713.47327	100.0
714.47668	23.8
714.57635	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87253	0.9
57.03426	1.4
59.01380	7.0
61.98813	3.4
69.85494	2.1
69.85889	1.6
71.01383	9.9
72.99294	3.7
75.00870	10.6
85.02943	11.0
87.00838	3.1
89.02440	2.6
95.01381	2.9
98.19955	1.7
99.00887	7.5
103.00348	1.5
113.02445	8.3
115.00308	1.3
117.01930	1.1
165.12871	4.7
175.02460	1.5
183.13893	35.9
184.14156	1.6
184.86868	1.0
190.41519	0.9
193.29669	1.1
209.47166	0.9
227.12834	1.4
255.23277	56.3
256.23584	5.9
311.10696	0.9
324.24908	0.9
397.48709	1.0
505.29974	1.4
539.39331	2.0
653.42072	3.5
697.41132	1.8
715.42676	100.0
716.42999	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26457	1.8
61.98832	12.2
66.81701	1.9
70.07587	7.5
70.07932	2.3
76.76485	2.3
78.95900	26.5
81.15826	2.0
110.98524	21.6
111.08157	4.6
152.99754	1.9
162.13477	2.1
165.12798	2.5
167.01140	17.4
169.12349	2.3
171.10318	2.7
185.02164	3.4
193.12680	1.9
193.14737	1.9
197.11815	24.2
198.12347	1.9
211.13336	5.4
214.76773	1.9
247.20589	2.7
253.21672	24.6
255.23250	15.0
263.20029	4.0
279.23251	2.9
289.18015	8.6
291.19672	14.2
309.20651	12.8
451.26477	2.3
477.22552	100.0
478.23239	10.9
713.43854	20.4
714.43262	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	713.4396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76338	1.4
53.08276	1.4
56.89685	1.7
57.36546	1.7
61.98834	13.4
78.95897	33.0
98.20654	6.1
109.06593	3.4
110.98532	22.3
111.08136	6.7
112.43367	1.5
118.90211	1.6
140.95003	1.6
167.01131	15.4
171.10211	1.8
185.02129	2.4
197.11833	23.0
211.13327	5.4
237.88089	1.7
253.21735	24.9
254.22018	2.1
255.23314	23.9
255.69717	1.8
289.15143	1.9
289.18112	20.1
290.18384	3.5
291.19644	7.3
307.18994	2.0
309.20660	14.3
309.86447	2.0
363.46671	1.9
423.25302	2.0
477.22562	100.0
478.22864	13.0
713.44098	30.3
714.44427	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	713.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	15.2
61.98827	100.0
71.01371	8.5
71.08345	9.0
77.39825	4.9
89.02438	11.7
95.18389	4.2
100.51225	3.9
101.02434	5.8
112.62412	4.3
113.02406	4.8
116.92876	7.8
119.03465	6.8
125.02414	8.7
137.11761	4.2
223.13567	4.7
235.08046	4.6
255.23230	9.8
279.23199	33.0
280.23697	5.2
302.69983	4.7
370.22064	5.0
380.85522	4.6
397.13428	60.0
398.13660	9.8
415.14240	22.1
677.37628	6.6
713.34949	43.9
714.34912	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	713.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	16.4
60.99297	6.3
61.98817	40.5
63.99706	5.4
71.01369	11.9
79.95673	6.2
87.00893	7.6
87.71079	5.0
88.98807	30.7
89.02446	16.4
99.75385	5.4
101.02431	12.1
113.02470	6.8
116.82632	5.1
125.02422	6.3
164.90025	5.2
279.23334	46.6
347.41006	6.2
397.13400	100.0
415.14575	26.3
574.93787	6.2
639.74786	5.3
677.37256	17.2
713.34937	69.7
714.35315	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	713.396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18832	0.4
55.01859	0.8
57.03440	1.1
58.00576	1.5
59.01378	31.9
61.98824	1.4
68.99827	0.6
69.03444	1.7
69.23822	0.6
69.99731	1.0
70.00124	1.0
71.01381	26.9
72.99305	2.3
73.02934	3.5
75.00862	0.6
81.03437	0.7
81.67915	0.4
83.01385	3.4
85.02950	5.4
85.37849	0.5
87.00877	5.4
87.04525	0.6
89.02440	25.0
90.21043	0.4
91.04008	1.0
95.01381	1.7
95.61443	0.5
97.02950	4.6
99.00864	1.9
101.02435	21.3
103.00275	0.5
103.04040	0.6
111.04522	1.0
113.02444	9.6
119.03496	6.8
125.02446	9.2
131.03477	1.2
133.05009	0.7
139.03983	0.8
140.01924	0.5
143.03503	4.3
149.04546	0.5
158.90805	0.5
161.04553	4.9
167.03517	0.8
179.05602	4.9
183.68964	0.5
203.05524	0.8
217.07130	0.7
221.06636	1.4
235.08199	9.3
236.08565	0.7
253.09297	1.7
255.23271	77.7
256.23639	6.4
263.07773	1.0
277.09256	0.7
287.07776	2.7
305.08731	3.9
323.10031	0.9
379.12439	1.1
381.39157	0.6
397.13477	100.0
398.13785	9.5
415.14557	29.4
416.14832	2.3
431.42407	0.5
573.18951	0.6
619.46930	0.6
653.37415	6.8
654.38092	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34339	0.2
56.04511	0.2
57.03436	0.4
57.07158	0.2
58.00571	0.3
59.01377	5.4
68.23055	0.2
68.99828	0.3
71.01382	2.3
71.05012	0.6
71.53191	0.3
71.53596	0.4
72.99303	1.8
73.02958	1.7
75.00871	25.8
75.10498	0.2
76.01218	0.4
81.03443	1.3
84.02190	0.3
85.02956	1.6
87.00868	2.3
87.04533	0.2
89.02428	1.7
93.03459	0.4
96.95984	0.2
97.02941	0.5
99.00888	0.8
99.04517	0.6
101.02444	0.7
113.02429	0.6
116.92838	0.6
119.03529	0.6
119.05025	5.1
124.02252	0.3
125.02421	1.2
129.01924	0.7
129.88795	0.2
134.03725	1.0
143.03499	2.3
143.05061	0.3
145.02924	0.4
149.06067	0.2
151.04124	0.3
152.01871	0.3
161.04558	5.0
163.04002	6.8
163.11279	2.7
164.04369	0.4
164.11595	0.2
177.03978	1.1
179.05603	100.0
180.05951	3.0
193.05023	0.8
195.05093	2.0
197.05577	0.3
223.04579	0.6
224.04781	0.2
233.92670	0.3
241.08658	0.4
325.09290	6.4
326.09552	0.5
341.08713	2.4
342.09048	0.4
343.09250	0.5
344.52081	0.2
357.09735	0.6
371.09827	0.3
387.16605	11.0
388.17056	1.2
535.14514	0.3
636.74768	0.3
713.19019	1.4
714.20026	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17918	0.2
51.77959	0.2
57.03448	0.5
59.01376	6.3
59.34318	0.3
62.58221	0.3
64.06628	0.3
66.39009	0.2
70.00717	0.3
71.01373	2.3
71.05020	0.7
71.07800	0.6
71.23471	0.2
72.99299	1.8
73.02948	1.2
75.00868	25.6
81.03448	1.2
83.01381	0.4
85.02933	2.0
85.40933	0.3
87.00866	2.8
89.02461	1.3
97.02970	0.3
98.57210	0.3
99.00861	1.0
99.04517	0.8
101.02441	1.0
111.00849	0.5
113.02514	0.4
116.92861	0.3
119.03527	0.3
119.05025	4.9
120.05346	0.5
125.02425	1.1
129.01932	1.2
134.03703	0.7
137.02383	0.3
143.03471	2.3
145.02986	0.4
159.03015	0.3
161.04555	4.8
163.04001	6.6
163.11296	3.2
164.04337	0.4
177.04030	1.3
179.05598	100.0
180.05975	3.2
193.05029	0.9
195.05101	2.4
196.05507	0.4
223.04576	1.0
224.04907	0.3
225.04965	0.3
226.06168	0.3
226.37451	0.3
240.49683	0.3
305.63013	0.3
311.65057	0.3
325.09259	6.3
326.09570	0.6
327.08670	0.7
328.09088	0.6
328.56097	0.3
329.09323	0.6
341.08752	1.8
342.09088	1.3
343.09344	1.1
357.09894	0.8
381.96268	0.3
387.16592	11.6
388.16928	1.2
535.14880	0.3
713.19122	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
56.96422	1.1
57.03440	5.1
57.66970	1.4
59.01375	14.4
63.91547	1.1
64.90083	1.2
69.96071	5.6
71.01376	10.2
72.99309	3.6
73.02914	1.2
75.00871	38.8
80.01788	1.0
83.01384	2.0
83.89609	1.1
85.02942	16.7
86.03266	1.5
87.00858	8.8
89.02428	5.4
99.00883	7.2
99.04472	1.3
101.02435	3.2
111.00850	4.8
117.03498	2.1
119.05016	16.4
120.05364	2.0
125.02408	2.5
129.01944	23.0
134.03737	37.3
135.04108	1.6
141.01936	2.0
145.02983	2.9
149.06039	3.0
149.76575	1.2
150.03131	1.3
159.02980	7.8
161.04567	1.9
163.03983	17.4
164.04259	2.0
177.04028	25.4
178.02736	3.0
178.04259	2.0
178.57179	1.1
179.05602	42.3
180.05872	1.7
191.05652	1.2
193.05038	41.1
194.05304	1.6
195.05080	100.0
196.05420	4.4
205.03410	2.2
209.06622	1.9
223.04553	9.9
225.05025	1.8
241.08716	1.9
251.06992	1.7
253.73454	1.3
325.09293	3.5
328.09006	2.0
341.08725	37.8
342.09000	3.7
357.09601	5.5
371.09778	58.0
372.09976	4.5
387.16544	3.5
465.10538	2.4
535.14459	2.5
713.19208	9.3
714.20325	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.2
57.03444	5.6
59.01382	5.8
65.23909	0.7
71.01382	6.7
72.85934	0.7
72.99294	1.4
75.00870	20.8
83.01376	2.4
84.02160	1.4
85.02459	1.4
85.02952	18.1
87.00890	4.7
89.02442	2.3
89.18256	0.8
98.20689	1.7
99.00866	3.6
101.02414	2.0
103.83091	0.6
103.88994	0.7
104.24002	0.7
111.00890	8.3
117.05975	0.7
119.04255	1.4
119.05030	16.3
120.05255	0.8
129.01944	16.4
136.86118	0.9
141.01949	1.8
145.02979	5.4
147.03044	1.0
159.02988	4.3
161.06041	1.3
163.03999	19.2
164.04327	1.0
177.04039	26.7
178.04308	0.9
187.02493	1.1
195.05089	52.4
196.05421	1.6
205.03476	6.6
205.05089	1.1
209.06642	2.3
223.04590	21.1
224.04892	1.9
257.73569	1.5
268.35480	0.7
271.02463	1.3
299.01807	1.5
321.41144	0.7
323.07718	2.3
327.08707	2.4
332.99890	0.9
341.08743	100.0
342.09088	8.7
369.08185	3.0
667.15228	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65693	1.1
54.56440	1.1
57.03443	5.3
57.65622	1.1
59.01379	9.5
59.60817	1.3
66.47166	1.1
67.75352	1.1
68.99818	1.8
69.45921	8.5
70.02972	5.3
70.38651	1.2
71.01378	12.3
72.04562	1.3
72.99309	4.5
74.02472	61.5
75.00869	33.2
85.02953	21.3
86.03318	1.3
87.00874	5.2
89.02446	2.9
97.02941	2.0
98.02481	14.8
99.00881	8.5
99.61822	1.1
101.02480	1.6
111.00890	3.4
116.03544	28.4
117.03497	4.5
119.05019	8.4
128.03528	2.8
129.01944	24.6
130.02208	1.3
132.04562	16.1
134.03737	63.7
135.04083	3.1
141.01947	1.4
144.04532	3.4
149.06088	5.9
159.02957	7.3
163.04022	14.3
177.04042	18.1
178.02727	5.4
193.05054	69.2
194.05392	3.5
195.05092	100.0
196.05424	4.9
201.05074	1.5
201.06665	9.1
205.03592	3.0
219.07768	3.2
223.04555	3.8
261.08771	72.2
262.09045	3.0
292.03085	1.3
293.80838	1.1
341.08710	19.3
342.09219	1.7
357.09888	3.4
358.10422	1.2
371.09802	95.1
372.10086	7.1
383.66382	1.2
550.93262	1.2
625.79956	1.2
695.16974	1.4
713.19147	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	711.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45890	0.9
55.01861	1.7
57.03446	13.3
59.01373	6.1
60.15079	1.0
71.01382	9.4
72.99316	2.8
74.02453	2.0
75.00871	31.5
83.01372	6.2
84.02157	2.2
85.02947	56.2
87.00861	5.2
89.02431	3.6
93.03419	2.0
98.20667	2.5
99.00877	5.6
101.02436	3.8
104.91659	1.0
111.00864	19.4
119.05022	40.9
120.05325	1.4
124.24310	1.0
129.00964	2.4
129.01939	43.1
130.02196	1.4
141.01891	2.5
143.05038	1.5
145.02968	3.1
147.03094	1.3
159.02979	8.3
161.04561	1.6
161.13295	0.9
163.04001	54.2
164.04350	2.3
177.04030	12.5
187.02484	2.4
195.05087	100.0
196.05482	2.1
205.03516	22.9
209.06619	3.2
211.07722	2.9
223.04576	40.8
260.79770	1.0
261.08789	4.8
265.08627	1.5
271.02460	2.1
299.01968	1.4
327.08664	7.8
328.08902	1.2
341.08737	84.7
342.09125	6.1
357.08508	1.0
369.08301	16.2
395.75583	1.0
505.13354	4.5
519.15149	1.4
667.15076	1.8
711.17529	2.3
712.20752	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50443	1.0
55.01868	2.6
57.03445	18.8
59.01370	6.9
64.47096	1.0
67.01870	1.2
68.85743	0.9
69.64743	4.9
70.95773	1.0
71.01379	10.9
72.99301	3.2
73.02929	2.8
75.00874	8.9
77.87183	1.0
77.98811	1.3
83.01383	10.0
84.02142	2.7
85.02946	100.0
86.03285	2.4
87.00851	2.0
89.02428	1.5
99.00858	3.0
101.02450	6.8
102.61428	1.1
111.00875	28.2
113.02435	1.2
119.05024	26.2
120.58959	1.0
129.01938	50.0
130.02206	1.4
144.92259	1.1
145.02940	2.8
147.02917	2.0
159.02962	3.5
161.04506	3.9
163.02597	1.5
163.03996	29.8
177.04103	5.5
187.02448	3.5
191.01949	3.9
195.05074	28.0
205.03519	44.3
205.05444	2.4
209.03001	3.2
223.04570	74.4
224.04906	3.6
241.07481	1.2
271.02472	4.3
299.01831	5.6
300.02197	1.1
301.03448	1.5
308.26578	1.0
327.08704	4.3
341.08716	27.2
342.09198	1.5
355.06772	2.5
369.08188	38.5
370.08618	4.1
505.13596	1.5
667.15039	5.2
711.18231	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.2
57.03443	8.5
57.96427	0.9
59.01376	5.3
60.97148	0.9
64.22221	0.8
65.08047	0.9
68.99807	1.3
71.01379	7.7
72.99282	1.8
75.00870	12.3
83.01389	3.7
84.02171	2.2
85.02946	45.7
86.03325	0.8
87.00857	2.9
89.02431	1.3
93.03449	2.7
98.20692	1.5
99.00854	1.3
101.02433	5.1
111.00169	1.4
111.00877	19.7
119.05011	9.0
125.82223	0.8
129.00964	1.3
129.01927	23.0
143.03465	0.9
143.04987	1.6
147.02971	2.4
159.02936	2.5
161.04503	2.6
163.04012	7.1
177.04036	6.7
179.05663	2.0
187.02408	1.4
191.01785	1.1
194.15939	1.0
195.05075	18.3
205.03532	25.7
206.03755	1.2
209.06671	4.4
211.07651	2.9
223.04570	100.0
224.04927	3.4
229.00580	1.2
243.03197	1.0
265.08643	3.0
271.02463	9.8
299.01947	17.4
300.02521	3.5
300.93280	0.9
301.03455	6.1
327.08771	11.0
341.08694	10.6
369.08255	11.0
462.07767	1.7
463.08878	1.3
505.13165	3.3
519.14941	1.6
625.15106	1.1
667.15137	17.0
668.14984	1.4
696.35632	0.9
711.18488	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	711.141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.9
57.03443	4.9
59.01377	4.0
60.08107	0.6
65.00322	0.8
71.01379	4.6
71.27820	0.7
71.29752	0.8
72.99303	1.4
73.02966	0.6
75.00871	14.0
83.01392	2.5
84.02165	0.7
85.02949	22.5
85.03468	1.2
85.82111	0.6
87.00880	2.1
89.02448	1.7
93.03436	2.0
95.01392	0.7
96.99261	0.8
99.00893	0.8
101.02438	2.6
107.01363	0.9
109.02954	1.1
111.00870	7.6
119.05012	7.2
129.01933	16.1
141.01929	0.8
143.05019	2.1
145.02908	0.7
147.00844	0.7
147.03046	0.7
151.00357	7.7
152.38573	0.6
159.02968	2.7
161.04581	0.6
163.00369	0.7
163.04005	7.1
164.04417	0.7
171.04451	0.8
175.00354	0.8
175.04028	0.8
177.04033	5.3
178.99883	1.6
193.04810	0.5
195.05084	39.5
196.05379	1.1
199.03998	2.8
201.01892	1.0
205.03505	10.1
209.06514	0.7
211.07603	3.0
215.03464	1.9
223.04573	29.0
224.05092	0.9
226.02548	0.7
227.03410	3.7
243.02881	3.6
255.02885	1.9
265.08640	2.4
271.02463	57.0
272.02823	4.1
299.01935	100.0
300.02533	17.6
301.03494	34.3
302.03867	2.2
313.03583	1.0
327.08688	14.4
328.09088	1.2
341.08725	10.3
342.09109	1.4
343.04434	1.4
369.08188	4.5
377.98340	0.7
462.07944	19.2
463.08640	11.6
505.10095	9.0
506.10370	0.9
511.01541	0.6
625.13824	1.8
667.15094	96.9
668.15424	15.8
668.26740	0.8
693.17090	0.9
711.17407	3.8
712.18085	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1407
Annotation	Quercetin 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
57.03440	6.8
59.01372	4.5
63.13764	0.8
69.35802	6.8
69.76091	0.8
71.01384	6.7
72.99286	1.6
73.02935	1.3
75.00863	12.5
76.17857	0.9
83.01376	4.3
84.02173	1.9
85.02947	44.1
86.03298	1.1
87.00889	1.8
89.02480	0.8
93.03462	1.4
98.20676	1.5
99.00862	1.3
101.02445	3.8
103.00366	1.1
108.74624	0.8
109.02986	1.2
111.00877	20.7
119.05022	8.5
129.01941	25.0
129.02858	1.8
130.02197	1.1
133.03004	1.2
143.04999	2.3
145.02943	1.4
147.02969	1.0
151.00351	7.0
159.02988	2.5
161.04556	2.8
162.90099	0.8
163.04013	9.3
171.04483	1.2
171.90620	1.0
177.04028	6.4
178.99811	1.7
179.05669	1.3
187.02454	1.9
195.05092	27.3
196.05382	1.3
199.04027	2.5
205.03502	21.2
209.06567	1.8
211.07610	2.9
215.03490	1.2
223.04572	83.4
224.04967	3.2
226.02608	1.0
227.03465	2.6
243.02950	4.7
254.02222	1.4
255.03008	2.6
265.08615	2.1
271.02463	56.0
272.02875	5.1
299.01962	100.0
300.02551	19.9
301.03482	31.9
302.03793	2.6
327.08731	12.0
341.08774	12.1
342.09000	1.8
369.08267	8.8
439.99811	1.1
462.08020	17.5
463.08585	9.4
486.37546	1.0
505.10156	9.6
506.10306	1.3
515.07483	1.0
625.14185	2.0
667.15106	92.0
668.15540	13.7
682.32086	1.0
711.17975	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.1
59.01381	7.0
61.98829	7.7
71.01377	6.0
71.52895	1.1
78.95888	4.4
79.39563	0.8
85.02943	1.5
89.02442	5.2
95.05019	1.0
97.06577	3.5
101.02442	4.1
113.02468	3.4
119.03472	2.0
135.04480	1.0
151.11282	15.4
152.99605	7.8
161.04573	1.2
169.12334	95.1
170.12683	5.0
179.05649	0.9
182.86703	1.0
195.10255	3.1
200.19571	1.0
201.11372	5.4
209.11819	6.0
213.11293	11.4
253.09259	3.0
277.21738	23.0
278.22107	2.6
279.23248	2.2
287.09055	1.7
431.19244	2.5
431.26251	0.9
443.20444	1.0
449.20355	4.9
473.17776	4.5
709.41492	100.0
710.41840	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.2
58.14591	1.0
59.01368	6.0
60.56113	1.0
61.98829	11.3
71.01389	5.3
73.02935	2.0
77.09550	0.9
78.95898	7.8
83.01389	1.2
83.05050	1.2
85.02975	1.4
87.00878	1.7
89.02451	2.6
95.05045	1.6
95.22282	1.1
97.06588	7.0
98.20708	1.6
101.02449	3.4
102.31245	1.0
113.02430	2.9
151.11287	16.3
152.99583	9.0
169.12338	46.3
170.12666	2.7
195.10266	3.0
201.11328	9.0
209.11839	10.0
213.11302	4.1
253.09247	2.3
277.21707	51.9
278.22137	4.7
287.09317	1.2
431.19266	1.6
448.86346	1.1
449.20142	1.8
455.16751	1.3
473.17847	5.8
505.20709	1.0
652.24731	1.0
675.58734	1.1
709.41418	100.0
710.41760	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	709.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	15.4
63.96236	1.4
69.03447	0.8
71.01376	7.9
71.38829	1.0
73.02944	1.2
78.98592	5.8
79.95731	11.0
80.96513	62.0
85.02959	2.7
87.00872	1.2
94.98080	15.2
96.90206	0.4
96.96003	1.3
97.02937	1.5
99.00858	0.6
101.02435	2.3
106.98087	3.2
122.97576	2.7
125.02426	2.1
127.04001	0.9
134.97557	3.6
136.99117	1.3
148.99156	4.9
152.98613	5.5
164.98618	10.7
170.75308	0.6
171.10254	1.2
206.99672	2.6
215.78813	0.6
225.00725	16.3
226.01048	0.7
255.23235	0.8
279.23206	1.3
302.11737	0.5
453.14337	3.0
537.27325	1.1
709.38324	100.0
710.38666	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	709.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55223	3.2
56.92469	3.1
58.80048	3.4
59.01381	32.1
61.98815	15.9
69.26445	22.8
69.26859	5.6
70.84079	3.8
71.01369	10.4
73.02957	6.6
78.95909	6.4
81.03451	4.1
89.02448	7.2
96.95976	4.0
97.02964	3.6
101.02452	9.1
109.06572	8.0
125.09682	4.4
155.10779	4.3
160.02371	3.3
163.11255	6.9
171.10292	20.5
181.08611	7.1
181.12297	5.6
183.13818	10.3
193.72710	3.2
199.09744	80.7
200.10100	5.0
207.10272	31.9
209.11804	12.1
211.13380	100.0
212.13747	6.5
225.11290	24.4
226.11667	3.3
227.12927	4.8
235.08218	10.7
253.09225	15.0
279.23236	4.2
375.21680	9.7
383.22119	4.2
401.23331	6.5
417.17947	4.2
423.14389	5.7
435.18710	14.1
447.22070	6.5
461.20367	12.7
570.84613	3.4
593.29456	11.6
594.29553	3.9
611.30695	11.3
629.31708	11.0
637.32281	9.1
655.33313	15.1
673.34344	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	709.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
59.01376	11.0
61.98825	6.6
69.41563	0.9
69.57655	6.5
71.01363	6.7
72.99268	1.1
73.02938	2.3
75.00831	1.2
83.05011	3.4
85.02947	1.4
87.00887	1.2
89.02431	3.2
96.95990	2.4
101.02441	5.3
109.06635	1.6
113.02422	2.6
116.92852	1.8
119.03532	1.4
125.09698	1.1
148.59125	1.0
161.04578	1.9
163.11287	2.6
165.12767	1.8
168.53362	1.0
171.10258	100.0
172.10620	5.3
179.05508	1.2
207.10179	1.8
209.11809	89.3
210.12186	7.5
211.13332	4.4
216.84447	1.1
227.12860	12.2
235.08302	3.2
249.06390	0.9
253.09201	8.4
255.82851	1.2
272.51254	0.9
311.22272	7.6
397.13379	1.4
407.19000	6.1
415.14630	1.9
445.20764	5.1
655.34021	1.0
709.32867	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	708.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06831	0.2
55.50745	0.2
61.98828	100.0
68.99561	0.3
69.15342	1.2
69.15768	1.0
71.01352	0.2
79.95734	0.5
80.96513	3.0
85.02987	0.3
94.98104	0.7
98.20605	0.4
164.98680	0.4
191.16800	0.2
225.00729	1.3
279.23511	0.3
378.71570	0.2
394.57278	0.2
517.51190	0.2
709.38257	5.6
709.49725	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04861	1.4
53.47089	1.6
59.01376	17.7
61.98833	10.6
70.05183	6.1
71.01367	7.1
73.02936	5.1
78.95902	4.7
87.00870	1.6
89.02433	5.8
96.96011	2.0
101.02428	7.1
105.72071	1.7
109.06570	6.0
113.02437	2.3
116.92910	1.6
118.04699	1.6
119.03461	1.7
125.09708	3.1
132.48279	1.6
137.09631	1.8
152.99539	2.3
155.10730	2.6
161.04622	3.4
163.11325	2.7
171.10219	7.7
181.08661	2.1
183.13934	13.7
193.56339	1.4
197.11887	2.3
197.81465	1.7
199.07991	3.1
199.09753	42.9
200.10030	2.6
207.10231	16.1
209.11804	6.2
211.13376	100.0
212.13708	4.9
225.11304	14.0
226.11626	1.8
227.12773	2.5
235.08250	8.4
253.09241	12.5
279.23312	2.0
320.19543	1.7
375.21704	6.0
393.22693	2.4
401.23239	4.6
409.79147	1.7
417.17572	3.7
419.24756	2.2
435.18558	7.2
447.22400	7.7
461.20081	4.0
512.72833	1.8
530.11755	1.8
543.29993	1.5
584.38843	1.6
593.29608	6.5
611.30426	8.2
629.31586	6.0
632.47321	1.8
637.32190	8.7
655.33228	9.0
677.35431	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	707.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94800	0.6
53.81317	0.5
55.01875	0.6
57.03435	1.3
58.00576	1.3
59.01374	19.5
60.46367	0.5
61.98817	2.4
62.10537	0.5
68.99799	0.5
69.03445	1.3
71.01376	17.5
71.52910	0.8
72.01708	0.5
72.99313	0.9
73.02946	3.2
81.03450	1.0
83.01366	1.5
83.05012	0.7
85.02940	3.5
87.00854	2.7
88.98800	1.6
89.02435	14.5
90.78876	0.5
95.01385	1.0
97.02947	3.0
99.00903	1.0
101.02444	12.2
109.06585	2.2
111.08144	8.7
113.02454	5.5
119.03505	4.5
125.02452	3.5
125.09696	0.8
127.07650	0.6
139.03998	0.6
143.03516	1.8
149.04562	0.8
150.13853	0.7
151.11276	1.2
161.04549	1.9
163.11266	1.6
165.12828	1.0
169.12341	4.8
171.10229	2.2
179.05602	3.4
181.12357	1.3
183.13875	2.5
185.11826	2.4
185.30278	0.5
193.12234	1.0
197.11810	44.4
198.12158	2.6
199.13409	4.1
201.11305	1.7
207.10262	2.1
209.11807	11.8
210.12148	1.6
211.13428	11.7
221.06731	0.6
225.11330	1.3
227.12859	3.7
228.13173	0.7
235.08211	3.5
247.20630	0.6
253.09239	3.0
263.07712	0.6
263.20163	2.7
265.18121	1.0
267.07516	0.7
273.18536	0.8
290.18677	0.7
291.19644	14.4
305.08728	1.0
309.20667	100.0
310.21063	8.3
323.09595	0.8
335.54565	0.6
335.59296	0.7
397.13467	18.7
398.13916	1.3
415.14554	33.1
416.14691	3.0
433.55151	0.6
611.58759	0.6
707.35156	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	707.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.9
57.03435	1.6
58.00580	1.4
59.01378	26.4
60.01697	0.5
61.35299	0.4
67.91742	0.3
69.03453	3.0
71.01379	21.8
71.05026	0.3
72.07214	0.3
72.99297	1.5
73.02937	3.5
75.00877	0.4
76.11259	0.3
80.02679	0.3
81.03458	1.7
83.01387	2.1
83.05008	1.3
83.40400	0.3
84.02180	0.5
85.02947	4.6
87.00868	3.6
89.02440	22.8
90.02771	0.7
93.03473	0.8
95.01360	1.3
95.04992	0.8
97.02948	9.3
97.03577	0.5
97.06581	0.9
97.48634	0.4
99.00861	1.1
101.02438	15.7
102.02787	0.4
107.05076	0.5
109.02866	0.3
109.06557	1.0
111.00888	0.5
111.04517	0.8
111.08150	2.8
113.02441	8.6
114.02731	0.4
119.03497	5.9
119.08632	0.8
123.04449	0.4
123.08180	0.6
125.02435	5.2
125.05970	0.4
125.09689	1.8
127.07649	0.6
131.03496	0.8
133.05029	0.4
135.08130	0.5
137.09731	1.8
143.03500	2.5
149.04517	0.7
151.11194	0.4
153.12929	0.5
155.10751	0.5
161.04547	3.3
163.11273	2.1
165.09328	0.3
165.12823	5.4
166.09940	0.4
169.12320	1.4
171.10265	5.2
179.05586	4.5
179.14388	0.9
181.12279	1.8
183.13855	1.5
185.11800	1.1
193.12303	1.3
193.15948	1.0
195.56097	0.4
197.11815	14.0
198.12108	0.9
199.13365	0.9
201.11296	0.4
207.10258	1.8
209.11806	7.9
210.12172	2.6
211.13470	3.5
213.42444	0.4
217.07156	0.5
221.06697	1.7
223.13321	0.6
225.11278	0.6
227.12871	3.9
228.13173	1.0
229.19682	0.5
235.08186	6.0
236.08755	0.6
247.20670	3.6
253.09340	2.3
263.07562	0.7
263.20123	1.2
273.18646	1.3
287.07755	1.6
291.19638	34.6
292.19943	4.6
305.08823	1.4
309.20679	100.0
310.21051	10.8
323.09814	1.2
397.13461	39.1
398.13837	3.9
415.14532	37.7
416.14914	3.6
707.34790	3.3
708.35187	0.5
711.35004	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03447	1.3
58.00600	1.6
59.01376	22.7
60.01741	0.3
69.03448	1.7
70.08207	1.3
71.01377	16.5
72.01726	0.4
72.99296	1.0
73.02942	2.7
75.00878	0.6
81.03448	0.7
83.01392	1.4
83.05024	1.0
85.02946	3.5
87.00875	3.5
89.02441	18.6
90.02763	0.4
93.03456	0.4
93.07095	0.4
95.01395	1.3
95.05015	0.4
97.02950	2.1
99.00887	0.7
101.02433	14.2
102.69631	0.3
109.06581	0.6
111.04546	0.4
111.08150	13.5
112.08491	0.4
113.02446	6.5
115.04019	0.5
119.00017	0.3
119.03493	4.3
125.02438	4.9
126.02865	0.3
127.03961	0.3
127.07632	0.9
131.03479	0.8
133.05011	0.4
139.03944	0.5
141.07037	0.3
142.30969	0.3
143.03519	2.8
149.04565	0.7
151.11266	0.8
153.09210	0.8
153.12836	1.0
161.04549	3.4
163.11258	0.5
165.12862	0.7
169.10921	0.2
169.12341	5.5
171.10352	0.3
179.05582	4.9
181.12346	1.0
183.13893	0.5
193.12306	0.5
197.11813	57.3
198.12140	3.2
199.13364	3.1
201.11356	0.3
207.10266	0.5
209.11856	1.7
211.13391	6.8
212.13774	0.6
214.05396	0.3
221.06622	1.2
225.14914	0.5
227.12895	1.8
230.11475	0.4
235.08241	4.0
247.20801	0.4
253.09271	2.4
263.07663	1.0
263.20142	2.8
264.20477	0.3
265.18060	2.1
273.18512	1.1
287.07672	0.8
291.19638	13.6
292.19839	1.5
305.08734	1.1
309.20679	100.0
310.21054	10.1
312.69119	0.3
323.09833	0.4
397.13458	25.3
398.13708	2.0
410.44601	0.3
415.14514	36.7
416.14850	3.0
595.26306	0.4
707.34906	2.1
708.34668	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15898	0.4
55.01870	0.9
55.55763	0.3
57.03437	2.6
58.00579	1.6
59.01379	29.7
61.22330	0.3
61.98827	3.6
67.01873	0.4
69.03456	2.4
71.01381	22.0
72.99308	1.8
73.02946	3.6
75.00864	0.6
78.41402	0.4
78.95910	0.7
80.02724	0.4
81.03427	1.2
83.01395	2.8
83.05019	1.0
85.02947	4.3
87.00878	4.7
89.02442	26.8
91.03984	0.4
93.03448	0.5
95.01384	1.7
95.05023	0.8
96.96021	0.4
97.02947	3.9
99.00867	1.1
101.02439	20.8
102.02781	0.4
103.03941	0.5
109.02952	0.5
109.06586	0.8
110.15467	0.4
111.00889	0.5
111.04493	0.9
111.08159	10.4
113.02443	10.0
115.04023	0.5
119.03490	9.8
123.08109	0.4
125.02449	6.3
126.89597	0.4
131.03506	1.1
133.05055	0.7
135.08122	0.4
137.09709	0.9
139.04005	1.0
141.01971	0.6
143.03477	3.0
149.04504	0.5
149.09668	0.8
161.04524	3.5
167.03520	0.5
167.10780	2.5
169.12274	0.5
171.10213	0.7
177.12790	2.4
179.05591	5.0
179.10791	1.9
185.04494	0.9
195.13890	7.3
196.13919	0.4
197.11873	0.6
209.11806	0.4
217.07156	0.8
221.06665	1.4
235.08194	5.2
236.08607	0.4
245.06691	0.5
247.20688	2.2
248.75038	0.4
253.09241	1.5
263.07858	1.1
273.18512	1.2
275.20160	0.7
277.09241	0.8
287.07755	1.2
291.19647	100.0
292.19995	9.6
296.62125	0.4
305.08768	1.3
309.20764	1.1
323.09805	0.6
397.13495	17.9
398.13937	1.0
415.14551	15.3
416.14786	1.3
451.13757	0.4
675.05383	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.9
57.03455	2.2
57.10175	0.3
58.00581	1.1
59.01377	31.3
60.01696	0.5
61.98823	1.3
67.01892	0.6
69.03445	1.3
71.01379	23.3
71.53371	0.3
72.99311	1.3
73.02940	3.8
73.15114	0.3
75.00864	0.7
81.03445	0.9
83.01381	2.7
83.05009	1.1
85.02948	5.0
86.00069	0.3
87.00414	0.3
87.00880	4.2
89.02441	26.9
90.02773	0.5
91.04007	0.7
93.03448	0.8
95.01395	1.9
95.05015	1.2
97.02940	3.7
97.06601	0.3
99.00897	1.7
101.02439	19.8
102.02795	0.4
109.06577	0.8
111.00857	0.5
111.04480	0.5
111.08161	10.1
113.02452	9.3
113.09714	0.5
115.03983	0.5
119.03506	9.0
121.02831	0.3
125.02446	6.1
125.17976	0.3
129.50693	0.3
131.03484	1.2
133.05074	0.6
133.25627	0.3
135.11823	0.5
137.09718	0.9
139.03967	0.7
141.01828	0.4
143.03491	3.0
149.04556	1.0
149.09665	0.7
151.11156	0.3
161.04565	3.9
167.03441	0.5
167.10760	1.9
169.12218	0.4
177.12877	2.3
179.05606	4.8
179.10811	1.5
185.04498	0.5
195.13895	7.6
197.11894	0.5
203.14406	0.4
217.07103	0.5
221.06615	1.6
235.08228	6.3
247.20576	2.4
248.20996	0.4
253.09258	1.7
263.07693	0.9
268.87253	0.3
273.18594	1.4
275.20108	1.0
277.09390	0.6
287.07715	0.7
291.19638	100.0
292.20010	9.7
305.08847	0.6
309.20694	1.0
323.09723	0.5
397.13483	17.1
398.13885	1.8
407.44086	0.3
415.14551	16.4
416.15115	1.6
522.14758	0.4
682.73871	0.3
707.33856	0.3
708.58313	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
70.35560	0.4
71.93599	0.1
75.48627	0.1
78.95943	0.1
100.27310	0.1
209.65326	0.1
229.16257	0.1
230.74615	0.1
247.51978	0.1
247.59026	0.1
277.21777	0.4
278.22180	0.2
342.87317	0.1
372.96817	0.1
378.21310	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	705.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.8
57.21038	0.7
58.00580	1.0
59.01106	1.2
59.01376	15.0
61.98826	23.4
68.44151	0.7
69.03470	1.0
69.46818	5.2
71.01382	16.1
72.99287	1.1
73.02934	2.0
75.00842	0.9
80.00962	0.7
80.02659	1.1
81.03445	2.9
83.01381	2.7
83.05016	7.9
84.02161	1.5
85.02940	3.1
87.00867	3.1
88.98808	1.3
89.02439	10.0
95.01381	1.5
95.05029	0.9
96.96010	1.5
97.02929	1.8
97.06586	1.9
99.00865	2.1
101.02428	9.5
109.06597	1.4
111.08159	1.4
113.02438	4.3
115.03963	0.7
119.03497	3.1
123.04506	1.0
123.81145	0.8
125.02441	2.5
125.06049	1.0
125.09669	1.1
132.84335	0.8
135.08128	0.9
137.62904	0.9
143.03430	1.6
151.11302	1.1
161.04535	3.4
163.11273	6.5
165.12860	10.0
171.10223	2.8
177.13025	0.7
179.05542	2.4
179.10713	0.8
181.12340	3.4
183.13885	57.8
184.14253	3.9
186.06377	0.7
191.10733	1.9
191.14418	1.2
197.11804	1.5
199.13347	1.8
201.11322	1.0
203.00111	0.8
207.10272	4.3
209.11809	100.0
210.12112	7.0
211.13388	5.8
219.01189	0.7
225.11372	5.2
227.12862	13.6
228.13329	1.0
235.08240	3.9
243.12376	0.9
245.19131	2.2
253.09253	6.3
263.20090	1.2
269.04449	1.1
289.18063	11.6
290.18527	1.1
300.49789	0.9
307.19122	14.6
308.19583	1.9
333.77814	0.7
397.13397	7.4
415.14728	5.6
445.20645	1.8
463.21561	1.3
532.75330	0.9
591.00983	0.8
607.26416	2.4
655.33185	1.9
661.33160	1.2
673.34338	84.6
674.34668	16.6
705.37378	9.1
706.37213	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08118	0.2
56.39510	0.2
59.01376	2.9
61.98818	0.9
71.01378	2.6
72.99306	0.2
73.02931	0.4
80.02662	1.2
80.68671	0.2
81.03459	1.0
83.01389	0.4
83.05022	4.5
84.02176	0.6
85.02945	0.6
87.00887	0.8
89.02444	1.5
93.03479	0.2
95.01326	0.2
95.05029	0.6
97.02957	0.2
97.06595	0.3
98.19830	0.3
99.04551	0.3
101.02431	1.9
103.55542	0.2
109.06625	0.2
111.08167	0.3
113.02448	0.8
119.03491	0.5
122.97355	0.2
125.06053	0.5
125.09666	0.2
135.08134	0.5
161.04573	0.7
163.11282	3.3
165.12851	1.9
169.12299	0.9
171.09013	0.2
171.10284	1.1
179.05603	0.2
181.12323	0.6
185.11827	0.2
191.10818	0.9
197.11859	0.3
199.13373	0.3
207.10144	0.2
209.11807	100.0
210.12143	6.3
211.13445	0.4
213.47418	0.2
225.11345	0.6
227.12869	16.0
228.13155	0.7
235.08200	1.7
247.13286	0.4
253.09244	6.0
257.39044	0.2
259.15695	0.3
265.14371	0.3
282.80884	0.3
284.21973	0.2
285.03952	0.3
289.18033	0.5
307.19171	0.4
397.13278	0.4
399.56760	0.2
434.38840	0.2
445.20844	1.7
524.23926	0.2
637.32062	0.9
655.33295	0.4
687.32593	0.3
705.33136	1.0
706.34143	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
57.03432	0.3
58.00550	0.3
59.01373	4.0
61.98820	1.4
68.90402	0.2
69.03422	0.3
71.01379	3.8
71.54060	0.3
73.02940	0.6
75.00858	0.4
77.07684	0.2
80.02663	1.0
81.03458	1.4
83.01379	0.6
83.05019	3.9
84.02161	0.7
84.22434	0.2
85.02930	1.1
87.00860	1.1
89.02438	2.7
93.03456	0.2
95.01394	0.4
95.05026	0.9
96.95974	0.3
97.02922	0.3
97.06574	0.4
99.00868	0.5
101.02449	2.8
108.02143	0.3
109.06573	0.6
113.02473	1.5
119.03480	0.6
121.02985	0.4
123.04543	0.2
125.02425	0.5
127.81690	0.2
131.03790	0.2
135.08144	0.7
145.05089	0.5
161.04539	0.8
163.11288	3.5
165.12830	2.5
169.12286	0.6
171.10262	2.0
179.05609	0.2
181.12352	0.8
183.13869	0.4
185.11797	0.3
191.10741	1.0
197.11794	0.4
199.13361	0.8
207.10223	0.9
209.11807	100.0
210.12138	6.2
211.13431	0.5
213.11261	0.3
225.11334	0.8
227.12865	14.9
228.13116	0.8
235.08189	1.9
247.13344	0.4
252.52856	0.2
253.09273	5.5
307.19113	1.4
327.25714	0.3
359.84229	0.3
397.13498	0.7
415.14471	0.4
445.20810	1.9
446.21384	0.3
463.21725	0.4
569.73181	0.3
607.25690	0.4
622.43042	0.3
637.32605	0.8
638.32526	0.3
655.33789	0.4
673.33954	0.3
687.32416	0.4
705.33087	2.7
706.33014	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24175	0.5
55.01873	0.8
57.03446	3.5
58.00575	1.8
59.01376	40.3
61.98810	1.8
67.01875	0.5
69.03447	2.9
70.81882	0.9
71.01378	36.5
71.05008	0.6
72.01682	0.5
72.99305	4.0
73.02940	6.0
75.00868	0.9
80.02668	1.0
81.03442	4.3
83.01378	5.3
83.05006	2.0
85.02946	7.0
85.17615	0.4
87.00871	7.1
87.41658	0.5
89.02441	36.8
90.02740	0.6
91.04024	0.7
92.03820	0.4
93.03449	0.7
95.01379	2.9
95.05014	2.0
97.02357	0.6
97.02950	8.2
97.06582	5.9
99.00878	2.5
101.02435	27.0
102.02767	1.0
102.60368	0.4
106.04228	1.2
107.05016	1.2
109.02905	0.9
109.06568	1.9
110.03752	0.6
111.00861	1.0
111.04530	1.0
111.08125	0.9
113.02442	13.9
113.11511	0.4
115.03989	1.0
119.03497	11.6
119.04926	0.8
119.08659	0.8
121.02931	1.0
121.06587	1.8
123.04517	4.4
123.08171	2.7
125.02443	9.7
125.09708	7.3
129.01886	0.8
131.03476	1.2
132.36389	0.4
133.04977	0.9
135.08118	1.5
137.06055	0.8
137.08955	0.4
137.09749	4.7
139.04068	0.8
141.01938	1.1
141.09134	0.6
141.12807	1.3
142.02689	1.1
143.03508	5.2
145.02893	0.7
145.06577	0.5
145.20934	0.4
145.56071	0.5
148.09012	0.7
149.04539	1.3
149.06006	0.7
149.09665	0.8
151.11288	2.0
155.10690	0.6
161.04558	6.1
161.09674	0.9
162.10599	0.5
163.07602	0.9
163.11275	9.2
164.08247	0.4
165.09138	0.6
165.12846	4.0
167.10698	1.2
169.05098	0.5
169.12303	0.8
171.10233	3.6
175.11224	0.7
177.09198	0.4
177.12791	0.7
179.05598	7.8
179.10780	1.5
181.12317	3.3
183.13858	1.3
185.04549	0.6
185.11795	8.0
189.19939	0.4
191.10814	2.3
191.14392	9.3
197.11707	0.8
199.06157	0.5
199.13364	1.7
207.10228	7.4
209.11815	29.2
210.12125	1.4
211.13354	8.3
217.15865	1.1
221.06578	2.5
225.11285	7.7
226.11711	0.9
227.12830	4.6
227.18092	0.5
235.08191	9.7
237.11310	5.9
243.12364	1.6
243.17566	0.7
245.19075	16.7
246.19446	1.5
247.16927	0.6
253.09212	3.8
263.07684	1.8
263.20151	5.4
271.16931	2.9
277.09244	0.6
279.19504	0.8
281.21188	1.4
284.72052	0.5
287.07666	1.3
289.18069	79.9
290.18381	5.4
305.08774	2.5
307.19122	100.0
308.19476	8.5
309.20770	0.9
321.08514	0.5
323.09866	1.8
325.20114	1.0
379.12473	0.6
397.13470	51.8
398.13849	3.3
415.14511	44.0
416.14743	3.4
461.20129	0.6
507.29556	0.7
607.25867	6.0
608.26099	0.7
655.33282	0.6
673.34338	4.2
674.34644	0.7
687.32471	1.9
705.33246	11.1
706.34143	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.4
57.03445	19.6
59.01381	1.3
67.01886	1.5
71.01378	8.7
72.99310	1.2
73.02940	2.3
74.02473	5.6
75.00864	2.9
78.87452	1.1
83.01387	11.2
84.02154	2.0
85.02947	100.0
87.70934	0.9
96.95997	1.1
98.02444	2.4
101.02438	6.1
103.03942	1.1
109.02950	2.5
111.00880	33.5
116.03529	3.6
119.05022	2.2
125.02428	15.6
129.01939	60.4
130.02283	2.6
132.04541	1.6
134.03752	9.4
137.01437	1.1
137.02451	4.4
139.04045	2.5
145.02800	1.1
147.02971	1.6
149.02435	1.1
149.06122	1.3
161.04596	5.7
163.00372	2.0
163.04028	3.4
164.01147	1.3
165.01917	4.3
167.03528	3.4
175.04004	1.6
177.01927	6.7
177.04018	1.2
178.02716	1.5
179.03456	2.6
187.02449	3.2
191.01953	1.1
193.05038	11.0
195.05087	2.7
205.03517	62.4
206.03850	1.7
213.39348	1.1
219.06493	2.0
223.04572	34.3
224.05019	1.8
257.04733	1.4
261.08710	3.3
305.06616	20.1
306.07040	1.6
341.08780	1.8
353.10190	1.2
381.09683	5.2
399.09296	32.1
400.09674	3.7
423.07062	3.4
537.13831	1.7
705.18213	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.08
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27180	0.4
57.03400	1.5
59.01371	3.5
61.98803	0.9
63.02350	1.5
65.00321	9.4
71.01333	0.8
71.53001	0.5
74.02417	2.2
81.03415	0.7
83.01392	4.4
85.02905	0.8
95.01276	0.6
96.96014	2.3
97.02895	0.6
98.02460	0.6
101.02435	0.8
107.01387	13.7
109.01111	0.5
109.02892	0.6
110.99009	0.5
116.03448	0.6
116.05021	0.7
119.04945	0.8
121.02885	0.9
123.04459	0.7
125.02424	4.0
137.00632	0.9
137.02377	1.3
138.01866	1.6
149.02393	0.8
151.00363	42.4
152.00726	1.3
161.04480	0.6
163.03922	0.9
163.99304	2.1
164.01131	0.5
165.00134	21.3
165.01579	0.9
166.00404	0.7
167.03456	3.1
175.00310	1.2
177.01753	0.9
179.05562	1.2
191.03389	0.5
193.01433	1.1
203.08299	2.3
207.01152	0.9
209.11682	0.5
211.03937	0.8
215.03323	0.7
230.00264	1.0
231.01111	1.6
232.99062	0.6
239.03311	1.0
240.04166	0.5
245.02640	1.1
245.09305	5.1
246.09528	0.9
255.03030	4.0
256.03473	0.9
257.04486	2.3
273.02209	7.6
283.02478	5.7
284.03226	3.3
285.03894	0.7
287.00192	0.9
288.00769	0.5
299.00092	1.9
305.06378	1.6
314.99448	1.4
316.00513	2.7
317.01199	45.8
318.01572	3.2
325.09152	1.0
359.02197	0.9
371.09698	1.4
389.03278	1.1
417.80627	0.6
625.12268	100.0
626.12518	16.4
705.07990	32.4
705.19928	1.3
706.08264	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	703.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
67.95178	17.4
71.12132	19.8
71.53277	17.6
75.58086	15.3
104.42960	16.7
113.50600	17.4
144.41251	17.8
166.83284	17.4
255.23224	32.8
703.37762	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98135	0.1
56.59329	0.1
59.01375	1.8
60.01706	0.2
61.01802	0.1
61.98827	100.0
62.98532	0.2
71.00482	0.1
71.00800	0.1
111.03149	0.1
154.09442	0.1
240.71790	0.1
483.15225	0.2
484.15277	0.4
497.16296	0.1
498.16867	0.2
500.18878	0.1
542.16351	0.1
555.18713	0.1
556.18854	0.2
557.19080	0.3
558.18970	0.8
574.15503	0.1
575.15558	0.2
589.17523	0.1
641.22278	0.1
643.22369	0.1
644.22595	0.5
703.24609	0.1
704.23138	2.8
705.22705	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.6
61.98828	100.0
71.52526	0.3
95.46040	0.2
136.15945	0.2
161.30544	0.3
209.11896	0.6
210.87471	0.2
213.23885	0.3
218.66147	0.2
260.52579	0.2
277.21930	0.3
336.01794	0.3
351.90265	0.2
357.01678	0.2
386.53204	0.2
483.15018	0.3
484.15564	0.4
516.96600	0.3
557.19366	0.4
558.19568	0.9
575.15686	0.4
644.23218	0.6
704.23444	2.8
705.22687	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46928	0.1
61.98830	100.0
69.51852	0.7
71.01371	0.4
78.95896	0.2
93.39993	0.1
106.35612	0.1
171.10234	0.2
177.99361	0.1
207.10193	0.2
209.11909	0.3
211.13432	0.5
212.13815	0.2
225.11369	0.1
324.50726	0.1
480.73709	0.1
566.40607	0.2
704.37146	0.1
709.26776	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	702.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69727	0.1
59.01375	0.3
61.98827	100.0
71.01387	0.5
77.86140	0.1
80.96537	0.1
93.49051	0.1
96.96049	0.1
101.02438	0.1
111.52684	0.1
113.02390	0.1
116.92868	0.2
125.02473	0.1
126.04951	0.1
171.10300	0.3
195.46754	0.1
197.11942	0.4
209.11827	0.4
210.06326	0.1
211.13383	0.3
223.13370	0.3
237.15051	0.1
282.94791	0.1
624.33722	0.1
642.34320	0.1
718.23639	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	703.354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
57.03428	0.6
59.01378	100.0
60.01712	0.9
61.98827	0.8
70.53880	1.1
71.01380	10.1
71.72305	0.3
73.02940	3.8
83.01402	1.4
85.02948	4.8
86.95713	0.4
87.00884	0.6
89.02434	2.9
95.01376	1.1
96.95983	2.7
97.02978	0.4
99.00885	1.1
101.02439	8.0
113.02447	3.9
119.03494	0.9
125.02489	0.5
137.02477	0.3
159.02988	0.6
161.04530	4.2
165.12820	0.4
183.13887	7.4
184.14236	0.8
205.03531	0.3
209.11771	0.8
221.16913	0.4
301.16556	4.9
302.13327	0.4
315.18103	11.5
315.21616	0.7
316.18362	0.7
357.19193	6.6
358.19815	1.0
372.69263	0.4
398.28693	0.4
505.83090	0.4
685.31781	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34281	9.3
54.08976	9.3
60.94619	10.9
61.52530	10.4
61.98828	100.0
67.89712	9.5
68.14604	10.0
69.24597	79.0
78.95913	28.7
98.20670	19.4
110.98511	11.5
123.40182	10.7
171.10251	43.1
191.09830	12.5
211.13318	21.8
218.91734	12.1
223.13347	28.4
242.18719	10.8
255.23238	41.6
295.22784	31.9
311.22333	16.5
411.43085	11.1
524.58521	12.6
701.34326	21.9
701.47516	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.448
Annotation	Kulomo'opunalide-2
Peak:m/z	Relative Intensity
59.01372	3.5
61.98813	4.1
67.21311	1.1
70.18954	4.4
71.01369	3.9
74.69826	1.1
78.95893	2.3
80.98591	1.3
85.02934	1.2
88.72437	1.2
89.02452	1.7
96.60869	1.1
101.02411	3.2
110.98524	1.8
111.08151	1.2
113.02399	1.3
113.50850	1.1
114.92757	1.1
148.18428	1.2
159.58704	1.1
161.04620	2.0
161.77744	1.3
165.12811	5.7
183.13904	43.6
184.14194	1.8
195.13879	1.7
199.59702	1.3
209.11804	1.7
224.69873	1.2
227.12743	1.5
253.09244	4.9
255.23289	100.0
256.23654	6.5
277.21600	1.8
295.22729	9.5
296.22913	1.2
368.15799	1.2
701.44879	80.4
702.45282	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	701.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
57.03439	0.9
58.00589	0.9
59.01379	24.1
61.98810	1.4
69.03445	1.6
71.01383	18.1
72.99307	1.9
73.02963	3.6
73.64050	0.5
75.00893	0.8
83.01380	2.0
83.05017	0.8
85.02950	4.5
87.00883	3.7
89.02444	20.7
93.03474	0.9
95.01392	1.4
96.95965	0.9
97.02943	2.3
99.00884	2.2
101.02438	17.9
106.32504	0.5
111.04526	0.7
113.02450	8.5
115.04050	0.8
117.72421	0.5
119.03490	5.3
119.04978	0.9
125.02443	7.5
131.03517	0.9
143.03462	2.7
149.02460	0.8
161.02478	0.9
161.04530	3.0
163.04005	1.5
165.01935	0.7
165.05481	1.1
167.03482	1.1
167.14409	0.7
179.05649	4.1
179.07085	0.9
183.13905	7.8
193.12370	2.0
201.90556	0.6
211.13383	100.0
212.13710	5.5
221.06654	0.8
235.08197	5.6
251.55792	0.6
253.09348	1.5
287.07736	2.1
293.08298	0.6
305.08752	2.8
397.13480	71.2
398.13919	4.5
415.14545	25.6
416.15088	2.3
446.18073	0.6
503.17276	0.9
521.21716	3.3
609.27557	29.9
610.27747	3.8
635.04907	0.5
641.39209	0.9
701.29474	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98825	13.0
70.27570	1.3
71.23015	2.4
78.95884	1.6
104.67887	1.1
117.43204	1.2
152.99599	1.5
159.05258	1.3
255.23267	2.1
289.77100	1.2
292.50836	1.3
295.86032	1.4
325.87753	1.3
333.02982	1.6
432.87247	1.4
433.88278	1.3
438.13345	5.1
452.15198	1.7
455.10059	1.7
481.15179	41.5
482.15588	10.4
495.16824	12.4
496.16800	1.8
497.18265	3.7
498.18478	1.5
514.14679	1.7
539.15314	1.7
540.16376	10.7
541.16827	1.8
554.18335	1.9
555.18817	69.9
556.19214	14.3
567.18701	3.7
572.15485	20.9
573.15656	5.7
586.17438	6.7
600.19006	2.6
609.19635	2.4
627.21075	1.6
641.22455	34.8
642.22943	9.7
701.24640	83.4
702.24719	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23259	0.7
57.21962	0.8
59.01371	1.7
61.98835	10.3
65.99845	3.5
71.88900	0.9
72.84770	0.8
74.64000	0.8
78.95900	1.7
82.02989	12.6
83.01390	2.0
98.20641	3.6
106.06605	1.3
108.08183	1.7
110.02448	1.3
136.04008	3.2
152.03545	21.8
166.05092	1.4
166.08684	1.2
171.10240	0.9
177.03142	1.3
191.00388	0.9
194.08292	4.5
212.05742	1.1
220.09840	1.5
223.12331	1.3
225.13747	0.9
229.84839	1.0
231.07658	1.2
239.08177	1.1
243.07687	1.3
250.40317	0.9
252.90720	1.0
255.23283	2.1
267.07724	1.6
295.22714	2.1
330.12494	1.0
348.13354	1.1
370.12064	2.1
434.16727	0.9
437.16135	1.1
451.17242	1.6
452.18701	1.0
453.19049	1.3
461.16095	1.3
467.20938	1.4
468.21552	1.0
475.17801	2.5
489.19455	1.3
491.20313	1.1
539.19312	0.9
540.19757	2.0
555.22583	1.0
563.19214	1.1
591.22266	1.6
619.21967	3.2
625.23932	0.9
627.24982	2.0
641.26294	3.4
651.24640	33.0
652.25201	5.8
669.25269	4.4
670.25818	1.3
683.26825	2.5
701.28253	100.0
702.28485	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28674	0.5
57.02097	0.4
60.05951	0.4
61.98829	100.0
71.52703	0.7
78.95914	0.5
86.57482	0.5
120.59248	0.6
198.79976	0.4
209.11847	1.0
255.23344	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01714	1.1
65.18575	0.4
78.95860	0.3
86.47602	0.4
142.57521	0.4
255.23209	0.6
295.22757	0.6
437.12436	0.7
438.13202	3.4
451.14282	0.7
452.14691	2.0
453.15656	0.5
455.09900	0.7
466.12784	1.0
467.13892	0.5
469.11612	0.4
470.12183	0.7
480.14365	0.8
481.15134	29.8
482.15424	8.2
495.16779	12.7
496.17188	3.2
497.18353	6.0
498.18622	1.1
509.18466	0.3
511.15665	0.5
514.14868	2.9
515.15039	0.8
523.16315	1.0
525.14221	1.0
528.16833	0.6
539.15558	2.7
540.16479	8.8
541.16821	2.1
553.17426	0.7
554.17828	2.7
555.18829	61.8
556.19037	12.8
567.18726	1.4
568.19012	0.4
572.15442	17.2
573.15546	3.5
583.47906	0.4
586.17010	6.7
587.17194	1.4
599.21063	0.7
609.19818	1.2
627.20984	1.9
641.22498	30.0
642.22736	8.5
701.24609	81.7
702.24786	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	699.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.6
58.00580	0.9
59.01376	44.8
59.07631	0.5
61.98827	0.8
67.01896	0.8
68.53246	0.5
68.99813	1.1
69.14460	0.7
69.14809	5.8
71.01379	20.8
72.99313	4.0
73.02947	1.9
75.00867	10.9
81.03429	1.0
83.01372	1.7
85.02948	16.6
87.00867	5.5
89.02444	11.2
91.04018	0.6
93.03443	0.7
95.01385	3.3
95.05049	0.6
97.02950	0.7
98.19914	1.1
99.00864	6.9
99.04525	4.7
101.02446	5.1
103.00361	1.5
109.02930	0.7
109.06654	0.5
111.00880	1.2
111.04530	0.7
113.02443	17.7
115.00356	1.7
117.01936	1.3
119.03496	1.5
120.88493	0.5
121.02966	1.1
129.01932	2.2
131.03511	0.6
134.03741	0.6
137.02422	0.8
143.03578	0.6
146.60847	0.5
149.04561	0.6
152.01166	0.6
156.42726	0.6
157.55516	0.5
162.08990	0.5
163.03987	1.1
165.01894	0.8
165.05507	0.7
165.12846	1.2
175.02440	1.3
189.12856	3.6
203.13939	0.6
205.07207	0.6
205.16566	0.6
207.13895	3.9
209.11804	9.2
223.04462	0.8
225.14960	1.0
227.07388	0.5
231.05063	1.7
249.06128	13.9
250.06570	0.6
251.12883	1.8
267.07230	9.0
269.13904	4.4
273.05014	0.6
285.03809	0.8
309.08310	2.4
315.51419	0.5
475.21982	0.6
501.19760	1.5
519.20764	16.8
520.21350	1.5
523.22437	0.6
681.26404	1.0
699.27124	100.0
700.27496	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09416	0.3
57.03435	0.9
58.00581	1.3
59.01378	43.9
71.01379	17.0
71.52205	0.5
72.99313	1.2
73.02944	0.6
75.00877	0.6
77.43997	0.3
79.64294	0.4
83.01391	1.0
85.02938	4.6
87.00871	1.3
89.02441	24.7
90.02750	0.4
93.03469	1.0
95.01406	1.3
96.95987	0.9
101.02438	11.5
108.02171	1.5
109.02977	1.1
112.87479	0.3
113.02443	8.1
119.03500	10.9
119.04977	0.7
125.02470	0.9
129.01926	0.5
131.03481	0.7
137.02451	0.7
143.03506	1.3
143.07147	2.4
149.04568	0.7
152.01143	2.2
161.04552	0.9
163.03983	0.9
166.05722	0.4
179.05632	2.4
191.01936	0.8
195.05080	1.7
293.12570	0.3
323.13443	100.0
324.13721	5.5
351.62033	0.4
377.05179	0.5
385.77371	0.3
399.09256	0.5
417.10449	0.5
537.12500	0.9
582.94684	0.4
699.18115	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98822	1.8
64.87511	1.1
71.53042	0.9
78.95899	8.8
134.78824	0.9
137.73660	0.9
178.56647	1.0
205.15952	1.5
361.63901	1.0
426.25668	1.0
695.31085	34.9
695.43030	2.1
696.31415	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	697.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35234	0.5
59.01377	100.0
60.01714	1.2
61.98833	1.9
63.64699	0.5
70.00047	2.0
74.51239	0.5
79.93790	0.5
97.26286	0.5
98.20608	0.6
121.02936	2.5
171.10258	4.3
191.03453	0.9
193.33389	0.5
209.04575	1.3
289.18243	1.9
309.17218	0.6
450.74716	0.5
575.11450	0.7
593.13318	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86050	0.8
59.01380	100.0
60.01711	0.9
65.82729	0.9
69.77295	4.4
71.01382	91.7
72.01750	1.0
72.99298	7.8
73.02943	1.9
74.06030	1.0
75.00874	3.0
78.68390	0.9
85.02940	1.7
85.06599	11.2
88.98781	3.6
89.02470	4.3
97.06570	1.2
98.20559	1.4
99.00895	2.1
101.02425	2.1
101.03106	1.0
107.04988	0.9
109.77225	1.2
112.98814	7.5
113.02424	1.9
117.01933	1.5
119.04969	0.9
123.08137	0.9
125.02448	1.2
125.06085	2.4
127.07574	1.0
128.98380	1.0
131.07141	51.5
132.07492	1.4
135.02983	2.4
135.04543	1.1
139.07652	3.2
142.99867	5.6
149.06059	1.6
151.04036	1.6
153.05562	5.2
162.31514	1.1
167.07098	4.1
171.06575	1.3
173.00916	5.2
174.01666	12.2
185.08188	22.7
185.36989	0.9
186.08548	1.3
193.05067	2.6
211.06120	2.3
271.08121	4.6
275.11362	36.4
276.11722	1.3
303.05191	1.1
317.12369	19.3
697.36700	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81931	0.2
53.71479	0.2
57.03455	0.2
59.01389	0.8
61.98840	0.3
68.24856	0.2
69.81963	0.6
69.82372	0.4
71.01379	0.4
71.05025	0.3
80.02684	1.2
81.03441	1.5
83.01391	0.3
83.05022	5.9
84.02161	1.8
85.11597	0.2
89.43555	0.2
91.05564	0.3
93.03448	0.4
95.05042	0.8
96.74023	0.2
97.05782	0.2
97.06611	0.3
98.19984	0.3
99.00900	0.3
108.02168	0.3
109.02948	2.2
116.75213	0.2
121.02950	3.4
121.03769	0.3
122.03735	1.1
123.04548	0.5
125.06106	0.6
127.11287	0.2
134.03758	0.6
135.04527	4.2
135.08179	0.8
136.04874	0.2
147.04535	0.7
147.11795	0.3
149.06091	1.1
153.12798	0.2
163.11285	4.4
164.11589	0.2
165.12846	3.1
175.81537	0.2
179.45633	0.2
181.12349	0.6
183.51740	0.2
191.10786	1.3
209.11816	100.0
210.12143	5.7
224.33855	0.2
227.12875	53.8
228.13168	2.8
229.08611	0.3
241.05110	0.2
249.11060	0.5
256.07455	0.5
259.15475	3.4
268.03757	0.3
271.09741	19.9
272.10004	1.4
283.06088	0.5
326.67648	0.2
433.14966	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38031	1.6
59.01380	12.9
66.55559	1.4
69.57339	4.6
69.57746	6.6
71.01379	12.3
83.01381	2.1
85.02950	9.6
87.00885	4.1
89.02444	5.0
95.01394	2.3
96.96004	6.8
98.19905	2.9
98.95575	4.9
101.02444	2.4
113.02460	13.2
117.51748	1.6
122.06094	5.2
134.03717	3.4
134.87926	1.7
135.04506	1.5
144.04552	2.7
160.01689	2.8
161.13309	6.6
166.02654	1.7
172.04004	1.9
175.03996	3.6
178.02692	2.3
181.05034	10.8
187.11366	3.6
193.05020	7.3
204.06607	3.0
205.12366	2.6
209.11861	2.3
212.05872	2.3
226.07420	1.8
238.07327	2.1
239.08147	4.5
249.11336	1.8
251.11888	2.2
253.09760	6.5
263.07721	3.0
265.06097	2.6
266.06891	5.2
267.07669	7.0
267.11322	3.9
268.08429	3.3
279.07635	3.2
280.08548	5.8
281.08951	12.3
282.09610	2.4
283.10834	5.5
284.31271	1.8
293.09329	2.2
295.10825	27.3
296.11438	6.8
297.08984	2.1
297.12366	3.0
298.09546	3.6
299.10468	2.0
300.11234	3.1
311.10349	7.0
312.11157	2.7
313.11841	3.9
320.10355	2.1
327.09756	3.5
327.13458	3.5
334.11777	2.9
336.09900	3.0
339.09668	2.2
341.11469	2.9
342.12076	2.0
343.12894	2.9
346.15475	4.2
348.13718	3.1
351.12097	4.2
362.11249	2.4
362.15240	3.7
372.13293	2.3
376.12784	2.8
376.16766	2.8
388.12903	3.7
390.14505	11.6
392.12454	3.1
402.14621	4.5
404.16122	7.2
406.13766	8.7
407.14401	8.1
408.15030	2.1
418.17892	2.0
420.15637	13.0
424.15259	3.7
434.17609	3.2
435.17819	7.7
436.18689	2.3
438.16806	5.5
439.17319	4.1
446.13696	2.1
448.15247	2.9
452.18256	3.2
453.18692	1.9
464.14761	4.7
466.15939	3.3
469.20773	3.7
478.16464	2.4
479.16901	7.9
480.17459	3.8
496.16992	7.7
510.18839	2.2
511.19553	45.2
512.20135	13.7
513.19708	18.5
531.15155	5.2
543.18579	3.7
599.24634	3.0
601.23651	1.8
633.25482	8.3
643.24335	11.5
661.25012	13.3
662.25342	3.7
675.14844	3.0
675.17419	1.9
675.26569	85.1
676.27039	17.7
693.27264	100.0
694.27753	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76381	1.8
53.41166	1.4
57.03433	4.3
58.00588	2.4
59.01376	38.2
65.03678	1.3
67.01879	2.7
68.99810	2.0
70.72456	1.4
71.01379	36.7
71.54142	2.1
72.99277	3.1
73.02932	2.2
75.00849	2.8
82.02952	1.5
83.01383	3.5
83.02515	2.2
85.02953	25.4
87.00871	8.6
89.02441	12.8
91.03978	2.1
95.01381	5.8
99.00880	1.7
99.04484	2.5
101.02441	9.1
103.00340	1.9
111.00903	2.1
113.02445	32.8
129.01898	2.4
132.13855	1.4
135.04521	2.8
143.03366	1.4
149.03549	3.9
157.01450	1.5
161.13336	13.3
187.11299	11.5
205.07127	6.7
205.12311	15.4
211.03574	2.5
249.06091	5.1
249.11285	3.1
255.06044	1.8
263.07684	7.0
276.59402	1.5
281.08801	26.3
405.45126	1.4
437.17828	1.9
447.40411	1.8
469.20807	17.5
470.20728	2.3
481.16904	3.5
495.18787	1.9
513.19739	51.6
514.19720	5.3
661.23450	3.1
675.29553	4.1
676.28809	2.0
693.25916	100.0
694.26080	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.4
57.03445	18.1
57.55825	1.8
59.01376	7.8
69.77226	2.0
71.01382	12.1
71.52158	2.5
73.02925	2.3
73.48591	2.1
75.00866	4.9
83.01399	8.8
84.02161	3.0
85.02946	97.8
86.03265	2.7
96.96007	8.4
98.95583	4.0
101.02448	7.7
111.00887	31.2
119.05010	9.6
125.02419	4.2
129.01936	49.6
130.92526	2.1
145.02959	3.2
159.90504	2.0
161.04564	3.4
163.04015	9.7
172.90152	1.9
187.02448	3.6
195.05089	2.6
197.32777	1.9
205.03526	49.2
209.02992	2.8
223.04581	100.0
224.05055	3.8
323.13428	5.7
358.93573	1.9
369.08218	37.6
370.08627	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	693.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24777	0.8
55.01873	1.4
57.03445	3.0
59.01381	30.5
67.01884	1.2
68.99802	3.3
69.03443	2.4
69.25095	7.3
69.25411	1.8
71.01378	31.5
72.01710	0.9
72.99296	1.8
73.02934	1.4
79.05476	1.0
81.13828	0.9
83.01391	2.6
85.02945	25.5
87.00874	7.2
89.02448	10.9
91.04037	1.0
95.01384	5.9
96.95961	1.2
97.02955	1.3
99.00853	1.0
99.04514	2.1
101.02437	5.0
103.00378	1.8
106.60072	0.8
111.00878	2.3
112.01637	1.7
113.02451	34.5
119.03475	2.1
124.05219	0.9
125.02390	1.0
129.01907	3.2
131.03552	1.1
139.00354	1.5
157.01367	1.1
159.11694	0.9
160.03964	0.9
161.09717	1.0
161.13373	15.0
162.13631	1.4
187.11263	8.6
205.07120	3.7
205.12317	13.3
206.12685	1.1
249.06152	3.9
249.11247	3.2
253.09578	1.0
263.07776	5.9
269.04535	2.0
281.08768	31.3
284.03256	2.3
285.04016	3.9
295.10901	4.0
311.10272	1.2
313.12003	1.3
348.13895	0.9
404.16037	1.0
420.15442	2.2
435.17783	1.0
437.18466	0.9
438.16714	1.1
447.09280	3.3
461.86646	0.9
469.20737	19.9
470.21088	1.6
479.17435	1.4
496.17310	1.2
511.19406	3.9
512.19592	1.3
513.19769	30.0
514.20062	3.5
601.21674	1.1
643.23895	2.1
661.24457	3.8
662.24731	1.3
675.26373	9.3
676.26648	2.4
693.26147	100.0
694.26501	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	18.8
63.01321	5.4
71.11209	5.7
71.52702	5.6
78.95902	71.6
96.96999	6.8
99.92919	5.4
100.84470	6.0
136.62761	5.5
152.99570	100.0
165.12843	26.1
171.00632	9.6
183.13901	88.3
209.11842	13.9
227.12920	23.8
240.12744	6.3
240.97063	6.2
245.04309	5.6
245.26355	6.0
437.15744	16.6
455.16904	59.0
470.78622	6.5
629.29169	7.0
691.38019	95.2
692.38788	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	691.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
58.00588	0.3
59.01370	2.9
60.99355	0.2
61.98827	0.4
70.67369	0.5
71.01367	2.6
73.02940	0.8
75.00839	0.3
80.02671	0.7
81.03444	1.5
83.01383	0.5
83.05021	4.0
84.02151	0.6
85.02934	0.8
87.00874	0.6
89.02438	1.9
95.01384	0.3
95.05042	0.5
95.71890	0.2
96.96004	0.7
99.00870	0.4
101.02428	2.2
113.02406	1.5
119.03525	0.5
119.05024	0.4
125.02426	0.8
125.06047	0.5
125.09702	1.0
127.11285	1.2
131.06346	0.2
135.08168	0.6
137.09688	0.3
143.03508	0.3
148.57613	0.2
155.10764	0.6
161.04579	1.1
163.04012	0.5
163.11276	3.2
165.01903	0.4
165.09198	0.5
165.12839	2.0
171.10249	2.0
172.10645	0.5
177.01854	0.3
178.81267	0.3
178.99832	0.5
179.05550	0.5
181.12315	0.5
185.11722	0.4
191.10782	0.8
193.01338	0.8
195.06660	0.3
199.09792	0.5
199.13312	0.5
201.11302	23.8
202.11655	1.3
207.10246	0.3
209.11801	100.0
210.12154	7.1
211.12128	0.2
211.13348	0.3
225.11287	0.9
227.12868	14.8
228.13202	1.0
229.14354	0.3
235.08142	2.8
247.13344	0.3
253.09276	8.6
254.09538	0.3
268.03735	0.3
285.03989	0.3
319.04672	0.3
344.99387	0.3
375.21860	0.6
393.22650	0.4
437.20294	1.1
445.20801	3.1
446.21127	0.5
463.21991	0.5
611.30823	0.4
629.31622	0.4
637.32361	0.7
655.33167	0.5
673.34796	0.3
691.35150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
57.03429	0.4
58.00580	0.6
59.01376	15.3
59.40243	0.3
61.98815	1.0
69.03450	0.9
69.60940	1.4
69.61341	0.5
71.01377	14.4
71.49105	0.3
72.99301	1.0
73.02951	2.4
75.00883	0.3
78.95905	0.4
81.03461	0.5
83.01408	1.4
85.02945	2.7
87.00879	2.6
89.02440	10.1
95.01402	0.5
95.05040	0.6
95.08597	0.3
96.95972	0.3
97.02932	2.2
98.20627	0.6
99.00879	0.7
101.02439	9.5
109.02932	0.3
109.06599	1.1
109.91527	0.3
111.00895	0.4
111.04506	0.5
113.02442	4.9
119.03510	2.8
125.02435	3.2
125.09557	0.4
131.03499	0.6
132.41742	0.3
136.63776	0.3
137.02383	0.3
143.03551	1.6
146.76831	0.2
149.04488	0.4
161.04546	2.1
163.11270	0.7
171.10257	1.2
177.12837	0.4
179.05605	3.0
179.14456	0.6
181.12315	0.5
183.13808	0.4
195.13876	7.1
196.14519	0.6
199.09689	0.4
205.12193	0.5
205.15858	0.4
207.10229	2.2
209.11832	1.1
211.13393	2.7
212.13930	0.3
221.06653	0.9
223.13374	4.9
224.13710	0.4
225.11241	1.2
227.12802	0.4
228.13647	0.6
235.08199	3.0
253.09352	1.4
256.13168	1.1
263.07596	0.4
275.20157	4.9
276.20157	0.3
287.07700	0.8
293.21210	100.0
294.21545	8.1
305.08661	0.8
323.09753	0.7
344.28488	0.3
397.13474	24.2
398.13834	1.5
415.14532	26.3
416.14807	2.1
654.27368	0.6
691.35120	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
57.03446	1.6
59.01377	8.8
59.77449	0.6
61.98815	3.3
69.03457	0.7
70.47015	0.6
71.01380	13.8
71.20348	1.2
71.67063	0.6
72.99274	0.7
73.02945	1.8
80.02650	1.2
81.03474	1.3
83.01390	1.0
83.05026	4.1
84.02135	0.9
85.02936	2.5
87.00867	1.6
89.02455	4.7
93.03426	0.8
95.05027	1.5
96.96001	1.8
97.02931	1.1
97.06591	4.9
99.00840	1.3
100.50459	0.7
101.02426	7.3
109.06645	1.0
113.02399	3.2
114.34381	0.6
119.03478	1.4
123.08112	0.6
125.02370	0.8
125.09710	0.7
126.82746	0.7
135.04518	0.8
135.08220	1.1
137.61421	0.6
143.03452	0.9
144.50098	0.7
150.03197	1.5
151.11272	13.8
152.99454	0.6
161.02478	0.7
161.04549	2.0
163.11302	3.2
165.05511	1.1
165.12839	2.0
169.12326	67.7
170.12657	2.8
171.10297	3.9
179.03532	1.0
181.12300	0.9
183.13768	0.8
191.10646	0.7
191.54561	0.7
194.05940	0.7
195.06580	0.7
195.10219	1.5
197.11725	0.8
201.11339	1.3
207.10216	2.3
209.08267	2.2
209.11812	52.4
210.12154	3.4
211.13417	7.1
213.11307	7.4
214.11386	0.8
223.17039	2.7
225.11313	1.3
227.12825	4.3
235.08217	1.9
253.09242	4.2
275.20056	0.8
287.09277	0.9
293.21201	10.3
294.21600	1.0
397.13519	3.6
415.14438	2.8
431.18985	2.1
449.20218	3.5
487.65277	0.6
637.32642	0.9
641.31226	1.4
655.32172	0.9
659.32782	100.0
660.33069	15.7
673.34467	0.9
691.35443	11.6
692.36304	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
57.03435	0.6
58.00592	0.7
59.01377	16.0
61.98819	0.4
68.99818	0.3
69.03463	0.8
71.01379	12.6
72.99312	1.0
73.02946	1.7
75.00852	0.4
77.89713	0.1
81.03458	0.5
83.01378	1.0
83.05026	0.3
85.02934	2.6
86.88581	0.2
87.00878	2.8
87.68897	0.1
89.02440	11.0
91.03996	0.2
95.01387	0.6
95.05001	0.3
96.29445	0.2
97.02939	1.8
97.06594	0.3
99.00874	0.9
101.02439	9.0
109.02950	0.3
111.00883	0.3
111.04486	0.3
111.08113	0.3
113.02444	5.1
113.03073	0.2
113.09695	0.4
115.03947	0.2
119.03489	2.8
119.22864	0.1
121.02895	0.1
124.01638	0.2
125.02437	3.3
131.03493	0.5
133.05037	0.4
141.01961	0.2
143.03491	1.7
149.04529	0.3
161.04559	2.0
162.43018	0.2
167.03500	0.3
167.10774	0.5
170.28996	0.1
171.10265	0.4
179.05620	3.2
179.10733	0.2
179.14355	0.9
181.12288	0.3
185.04500	0.3
195.13882	7.7
196.14490	0.9
199.06146	0.2
205.12341	0.6
205.15981	0.3
209.11806	1.5
211.13470	0.8
217.07288	0.2
221.06575	1.0
223.13387	5.6
224.13708	0.3
228.13748	0.7
231.21072	0.4
235.06064	0.3
235.08240	3.1
249.22147	0.3
253.09209	0.9
256.13147	0.7
263.07703	0.6
265.21750	0.5
275.20129	3.6
276.20370	0.4
287.07797	0.6
293.21201	100.0
294.21530	9.3
305.08759	0.8
323.09875	0.6
379.12479	0.3
397.13467	23.6
398.13922	1.9
415.14526	26.3
416.14929	2.3
512.10376	0.2
654.27368	0.5
691.35284	1.2
692.35547	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
60.50745	0.5
61.98830	22.7
62.10807	0.4
69.50682	3.0
71.01368	0.5
73.02952	1.0
78.95899	1.0
79.63036	0.4
87.32744	0.4
88.00391	0.7
88.98817	2.4
143.57704	0.4
165.52740	0.4
182.17599	0.4
193.95772	0.5
209.11754	1.0
210.12085	0.6
227.90956	0.4
257.04260	0.5
452.14764	2.2
467.16843	0.5
469.11542	0.5
479.17569	0.5
480.13516	0.9
481.14825	4.7
482.15549	1.6
493.15558	1.1
494.15842	0.7
495.16782	12.1
496.17038	2.8
507.16354	0.8
508.17163	1.6
509.18219	0.8
512.13000	0.7
521.14301	0.7
523.15936	0.6
523.20306	0.4
526.14459	0.9
533.18378	0.7
535.16217	1.6
536.16754	2.5
539.15961	0.5
540.17090	2.8
541.16693	0.7
551.19373	33.5
552.19623	7.5
553.18658	0.5
554.18689	2.6
555.19000	0.9
567.18970	0.4
568.16449	0.9
572.15594	3.1
573.15552	0.4
586.17035	2.6
587.17780	0.8
595.18121	3.2
596.18536	0.8
627.20935	100.0
628.21161	23.3
629.21124	0.5
630.21265	2.7
690.23315	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29574	3.1
59.01382	19.1
61.90442	3.1
61.98829	70.1
69.17762	2.6
71.01385	13.3
71.56883	3.0
72.99289	2.9
78.95919	4.3
79.51244	2.8
89.02457	10.8
96.35717	3.3
97.02955	2.9
98.19862	7.9
101.02468	11.3
102.95535	2.8
105.60683	2.7
113.02438	6.5
113.87847	3.2
114.36635	2.7
119.91290	2.9
125.02407	6.4
175.35957	3.3
209.11768	7.5
229.24666	4.1
235.08180	6.6
249.75505	3.1
255.23239	39.2
256.23779	5.0
260.57480	3.2
305.08563	3.2
344.44153	3.1
374.44290	3.6
397.08282	5.9
397.13474	100.0
398.13602	10.9
415.14539	25.1
432.42865	3.3
645.94336	3.8
653.37469	17.9
654.37939	4.8
689.35199	90.6
690.35706	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	689.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.7
57.03447	18.7
59.01375	4.5
64.43169	1.5
69.41518	11.0
71.01377	8.1
75.00870	3.4
78.11185	1.4
78.23190	1.3
83.01373	10.1
84.02164	2.7
85.02945	100.0
86.03268	1.5
96.95974	1.5
101.02436	6.2
111.00889	31.5
117.03519	2.0
119.05017	18.6
125.02438	3.0
129.01938	57.5
130.02380	1.7
132.04672	1.5
134.03757	10.8
135.37024	1.7
137.02461	2.8
153.86826	1.4
161.04538	5.8
163.03984	18.7
175.03979	2.3
187.02478	4.6
193.05006	12.6
195.05092	4.4
195.19411	1.6
195.90804	1.6
205.03506	60.9
206.03813	2.3
223.04568	31.0
223.06537	2.8
237.78099	1.6
289.07169	6.4
325.09259	3.0
341.08633	2.1
381.09808	3.5
399.09280	39.4
400.09467	2.2
626.14142	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	689.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07632	0.3
55.01868	0.8
57.03445	1.8
58.00584	0.9
59.01379	19.2
60.01704	0.3
61.98816	1.4
64.83176	0.3
67.24344	0.3
69.03451	1.3
71.01382	20.7
72.99303	1.9
73.02945	2.9
73.29491	0.3
78.95918	0.4
79.91634	0.3
81.03445	1.0
83.01382	2.0
83.05022	1.3
85.02957	4.3
87.00878	3.3
89.02446	15.9
91.04059	0.5
95.01420	0.7
95.05016	0.9
96.95989	0.9
97.02942	2.8
97.06572	0.6
99.00851	1.3
101.02444	14.5
108.02143	0.4
109.02980	0.5
109.06551	1.1
111.00837	0.5
111.04501	0.5
111.08162	8.9
113.02444	7.3
113.09754	0.7
115.03988	0.5
119.03499	3.7
121.02910	0.4
123.08205	0.5
125.02444	5.8
131.03477	0.5
133.05132	0.4
135.11726	0.5
137.02394	0.3
137.09753	0.6
139.11356	0.4
143.03487	2.2
143.64136	0.4
149.09639	0.6
161.04546	2.9
163.11285	0.9
165.12851	0.5
167.03517	0.7
167.10747	1.8
171.10266	3.1
177.12822	1.8
179.05608	3.5
179.10789	1.8
181.12375	0.4
183.13898	0.9
185.11940	0.4
195.13904	6.0
196.14297	0.4
197.11839	1.7
199.06117	0.3
199.13333	0.9
201.11272	0.9
207.10240	2.2
209.11824	12.4
210.12067	0.6
211.13406	4.6
215.12794	0.6
217.07103	0.5
221.06631	0.9
225.11357	3.2
227.12880	3.6
229.03786	0.4
235.08215	4.7
247.20648	2.5
253.09282	2.6
263.07666	0.7
273.18573	1.8
287.07822	1.4
291.19650	100.0
292.19983	8.4
305.08847	1.5
323.09912	0.7
326.15070	0.3
361.10645	0.4
366.73434	0.3
372.80954	0.4
379.12286	0.4
397.13483	45.4
398.13934	3.2
415.14557	25.0
416.14929	1.7
510.73361	0.3
689.33923	8.8
690.34515	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46791	0.9
55.01891	0.8
57.03444	1.1
59.01375	12.9
61.98825	70.9
68.71680	0.8
69.15461	6.3
69.15865	2.0
70.27023	0.9
71.01381	11.2
73.02975	1.2
75.00877	1.2
83.01397	1.1
85.02966	2.6
87.00874	2.3
89.02432	8.7
92.03865	0.8
95.01447	1.4
96.96034	1.8
97.02958	1.3
98.20664	2.1
99.00887	1.0
99.32575	0.8
101.02419	7.3
110.85841	0.8
113.02454	4.1
119.03512	2.2
125.02441	3.0
135.89896	0.9
145.02921	0.9
152.01117	1.1
161.04594	1.2
165.12846	5.8
166.05080	8.8
179.20923	0.8
183.13881	43.5
184.14226	2.0
221.06578	1.9
227.12952	5.6
235.08128	1.3
397.13394	1.9
415.14615	1.0
421.48801	0.9
437.16855	0.8
461.59070	0.8
569.40930	1.1
625.27081	100.0
626.27356	14.2
689.20551	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
59.01377	100.0
60.01713	1.2
61.98846	0.5
71.01377	9.8
71.52708	0.6
71.53103	0.8
73.02938	3.5
75.00912	0.7
83.01394	1.6
84.02185	0.6
85.02949	5.2
89.02429	0.8
95.01381	0.8
99.00900	1.5
101.02445	7.4
104.80071	0.5
113.02444	3.9
119.05044	0.6
158.32814	0.5
159.03075	0.5
161.04587	4.8
198.01865	0.5
209.06715	0.6
225.31326	0.5
238.42061	0.5
250.06265	0.6
269.10278	10.8
270.10553	1.1
311.11365	9.1
312.11761	1.1
313.75229	0.5
331.17532	0.7
355.10318	1.2
593.09009	0.6
658.00684	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.3
57.03447	1.9
59.01377	5.9
61.78870	0.3
61.98831	1.3
63.95862	0.3
69.03459	0.5
70.56549	0.9
70.56913	0.7
71.01382	10.6
72.99306	2.8
73.02946	0.9
74.98921	0.3
75.00862	7.7
79.66821	0.4
83.01379	0.5
83.05044	0.6
85.02945	10.2
87.00877	4.3
89.02435	1.7
95.01381	2.3
97.02932	0.5
97.06606	0.8
99.00873	7.1
101.02428	0.8
103.00380	1.2
109.06543	0.9
111.00896	0.5
111.08171	1.6
113.02444	8.3
115.00373	1.2
117.01942	1.0
129.01944	1.1
157.01393	0.8
163.11244	0.8
165.12831	12.0
171.10260	1.4
175.02449	1.4
183.13884	86.1
184.14220	4.2
207.10205	1.4
209.09943	0.4
209.11839	5.6
211.13321	1.7
223.09677	0.9
225.11331	1.2
227.12849	5.2
240.56256	0.4
249.06189	1.1
301.16553	0.6
327.37381	0.4
350.82614	0.4
356.48633	0.4
415.19684	0.8
459.18900	0.7
477.19800	1.4
511.28998	4.1
512.29077	0.5
625.32050	3.7
626.32861	0.7
643.33185	0.8
669.31287	2.9
670.31323	0.6
687.32263	100.0
688.32587	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	686.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24868	0.2
59.01381	0.3
61.98827	100.0
62.12332	0.2
71.01384	0.3
72.01711	0.2
78.95908	0.3
89.37549	0.2
96.01089	0.2
98.19839	0.3
115.98980	0.2
119.86109	0.2
127.90341	0.2
152.99678	0.2
159.92384	0.2
171.10251	0.2
209.11905	0.7
225.95158	0.2
255.23488	0.2
395.39093	0.2
445.98688	0.2
626.34894	0.4
641.87372	0.2
687.32629	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59336	0.8
50.64523	1.1
58.72527	0.9
59.01344	1.6
61.98835	9.6
63.88291	1.0
65.99838	4.1
71.01366	1.1
78.95901	2.0
82.02531	1.6
82.02979	13.7
83.01370	1.9
91.06416	1.0
94.02971	1.2
101.27052	0.8
102.31940	0.8
106.02983	1.6
106.06615	1.6
110.42738	1.1
113.65154	1.0
136.03110	1.1
136.04056	6.1
150.01883	1.2
164.03531	10.0
166.08694	1.1
171.10316	1.3
179.35027	0.9
194.04564	3.0
194.08212	2.2
196.06111	5.3
213.06680	2.0
215.08226	1.5
225.13826	1.3
241.06200	2.0
243.07550	1.1
253.13496	1.0
253.16179	0.9
254.06938	1.3
255.07742	4.0
255.23280	2.5
279.23181	3.7
281.24991	1.0
298.11789	1.0
311.14185	2.2
333.49472	1.0
341.11279	1.8
431.10040	1.0
435.17963	1.4
436.18854	1.1
479.20569	1.7
481.19296	1.3
490.23462	1.7
523.19623	1.0
551.19421	10.2
561.21350	1.7
566.21863	3.1
581.27710	3.1
583.22119	2.7
600.90424	1.2
609.26599	1.2
621.23895	2.3
653.26074	23.3
654.26758	5.4
685.28729	100.0
686.29071	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	686.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.1
61.98827	42.9
65.00301	0.6
70.78109	1.4
71.01368	1.4
72.99300	0.5
75.00852	1.5
81.83227	0.6
85.02938	0.7
89.02469	0.8
104.85195	0.6
107.01408	1.0
125.02460	1.0
151.00366	2.8
151.45929	0.6
177.01834	0.5
181.05086	2.0
183.04561	0.8
199.03957	1.6
209.11737	1.0
227.03563	2.6
239.65178	0.6
242.02206	1.2
243.02971	13.5
244.03389	1.0
255.02985	6.3
257.04517	2.3
270.01715	1.5
271.02454	19.4
272.03036	1.8
285.04053	4.8
286.04733	1.8
287.05423	1.1
299.01947	28.3
300.02649	12.4
301.03091	1.0
314.04300	39.3
315.05038	27.0
315.07907	0.6
316.05399	2.2
374.28897	0.6
397.13345	0.6
506.18845	0.6
623.16107	100.0
624.16425	13.7
648.93188	0.6
709.32007	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.9
59.01379	6.2
61.98838	4.2
70.59326	2.8
71.01373	4.7
74.96634	0.8
82.39487	0.9
85.02949	1.0
86.17206	0.9
89.02438	4.7
97.06588	12.8
97.16479	0.8
101.02418	3.6
106.75079	1.0
113.02425	2.2
123.08163	6.5
125.09715	97.8
126.10032	3.7
143.10785	1.7
169.08592	1.6
187.09746	69.4
188.10042	3.6
192.96939	0.9
223.13452	1.1
253.09335	1.7
255.23228	2.6
261.13358	1.0
272.93619	0.9
277.21689	17.4
278.22104	1.8
368.56204	1.0
405.17700	4.4
423.18640	14.1
424.19016	1.3
634.72430	1.1
683.40002	100.0
684.40320	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19341	1.0
57.03435	4.0
58.06189	1.0
59.01357	4.3
60.29848	1.2
61.98829	13.2
70.17359	1.1
71.01376	2.9
71.52946	1.2
71.53393	1.9
78.45732	1.2
78.95863	1.9
85.02939	1.3
87.00877	2.3
89.02424	1.8
95.27628	1.0
97.06599	11.9
101.02418	3.1
113.02420	1.2
123.08152	7.0
125.09719	75.3
126.10057	2.8
145.05113	1.9
153.40625	1.1
161.04520	1.9
169.08723	1.2
187.09738	25.4
188.10088	1.6
223.13268	1.4
233.22650	1.2
237.75931	1.1
253.09201	2.2
255.23232	3.3
277.21719	41.1
278.22006	3.7
291.82156	1.1
405.17474	4.5
423.18637	4.3
683.40021	100.0
684.40247	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59307	1.6
59.01377	36.4
61.98830	8.5
69.68597	5.0
69.69012	4.0
71.01389	11.4
73.02944	2.8
78.95912	2.3
83.01364	1.6
85.02964	2.9
87.00879	3.7
89.02437	5.9
98.19897	2.7
99.00759	1.7
101.02433	5.5
109.06593	2.4
113.02452	5.0
119.03416	1.9
145.04993	1.8
171.10280	19.1
179.05522	1.7
179.85683	1.5
195.13884	1.9
213.14880	1.8
226.13062	1.6
235.08170	6.3
248.09775	1.7
253.09315	2.0
255.23383	2.5
275.16516	2.4
275.20169	2.2
277.21640	7.0
293.21292	9.1
315.26889	3.2
325.25293	5.7
341.24698	2.9
343.26340	4.7
359.25815	6.1
369.24374	8.9
387.25409	25.9
405.26404	19.5
406.26813	2.1
483.08932	1.8
623.34290	100.0
624.34613	14.8
683.48236	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77343	0.4
57.03445	3.7
59.01373	7.1
61.67493	0.4
69.47332	0.4
69.49088	3.0
71.01374	10.0
72.99299	1.6
73.02964	0.4
75.00867	22.5
75.32959	0.4
83.01363	0.9
85.02944	9.2
87.00864	7.4
88.71112	0.5
89.02435	2.8
93.03409	0.8
97.02960	1.1
99.00865	4.0
101.02454	1.2
111.00867	1.8
113.02434	0.8
117.03477	0.5
119.05021	24.4
120.05366	0.6
129.01935	15.4
133.06615	0.8
141.01930	1.8
145.02956	4.1
149.04482	0.5
159.02977	5.3
161.06075	1.7
163.03995	32.1
164.04240	0.7
175.05316	0.4
177.04027	40.8
178.04382	1.4
195.05078	57.7
196.05438	1.7
205.05038	1.5
211.07605	7.9
212.07932	0.6
221.34898	0.5
323.07687	1.9
327.08673	1.5
341.08734	100.0
342.09088	7.6
386.90463	0.5
505.13116	0.6
665.17242	1.9
683.18292	7.9
684.18390	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.1
59.01370	5.3
59.72532	0.7
68.99778	0.7
69.86399	3.8
71.01381	7.4
72.99294	2.8
75.00472	1.3
75.00871	21.0
83.01418	0.7
84.02129	0.7
85.02950	10.6
87.00873	3.5
89.02438	2.6
89.45526	0.8
93.03420	1.4
95.98666	0.7
97.02945	1.0
99.00873	7.3
101.02451	0.8
111.00910	1.6
117.03436	0.9
119.05018	55.0
120.05345	2.3
122.30025	0.8
129.01941	19.9
141.01958	0.9
145.02921	1.7
159.03008	6.9
163.04002	84.5
164.04350	3.3
177.04042	16.4
195.05084	85.2
196.05449	2.1
211.07617	2.5
237.09050	1.2
246.10056	0.8
265.08694	1.0
323.07590	1.0
327.08722	5.0
333.62122	0.7
341.08737	100.0
342.09085	7.1
487.12274	0.7
488.95358	0.7
505.13449	3.0
553.00940	0.9
554.76642	0.8
665.17285	2.0
683.18372	10.0
684.18610	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18860	0.5
51.81006	0.5
53.35160	0.5
61.98829	100.0
78.41922	0.5
78.95903	1.3
79.95740	0.5
110.98503	0.6
120.00638	0.5
122.22742	0.5
122.97663	0.9
193.81104	0.5
203.95688	0.5
255.23323	3.0
277.21710	5.5
278.22125	0.7
281.48740	0.6
446.24063	1.5
459.97833	0.6
682.39709	1.4
683.47217	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95327	0.3
59.01381	2.0
60.99306	2.7
63.02404	0.5
64.08215	0.4
65.00318	0.4
71.10221	0.8
71.39066	0.4
81.79258	0.4
88.98805	9.7
107.01391	0.9
109.02975	0.7
118.75584	0.3
133.02954	2.2
149.02435	1.1
151.00404	2.4
151.01407	0.4
154.58257	0.3
171.04475	0.4
175.04025	1.9
199.04028	1.3
213.05902	0.3
217.05042	0.7
225.07611	0.4
227.03424	0.6
241.04974	0.7
243.02977	0.6
256.03650	0.5
262.30176	0.3
284.03238	13.1
285.04022	100.0
286.04407	7.6
327.05035	1.1
327.08624	0.4
344.68283	0.4
407.62259	0.4
593.15057	76.6
594.15320	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	681.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.2
58.00579	2.5
59.01377	35.0
60.99302	5.7
61.98829	11.0
62.27425	1.3
69.03446	5.4
71.01378	26.0
71.53306	1.7
72.99306	2.5
73.02587	1.6
73.02947	6.7
75.00867	4.1
78.95908	2.0
83.01390	3.7
85.02942	7.4
87.00858	7.0
88.98801	33.1
89.02441	23.1
95.01395	2.6
97.02939	3.3
99.00934	1.7
101.02431	20.2
113.02446	12.7
119.03496	4.5
125.02412	8.0
131.03497	1.5
136.17615	1.5
143.03493	4.3
161.04518	4.0
165.01741	1.4
167.10796	4.5
171.12158	1.5
179.05661	3.2
179.14412	6.0
195.13818	11.4
205.12257	16.3
221.06635	2.6
223.13367	100.0
224.13620	6.8
235.08266	8.5
268.03607	8.5
269.04071	10.4
270.04361	4.8
283.06137	20.9
284.06464	16.6
285.06711	11.4
397.13470	75.0
398.13669	7.0
402.60596	1.7
415.14523	35.3
416.14978	3.3
439.09647	1.6
499.67252	1.6
504.57825	1.7
518.93091	1.4
621.17822	1.8
621.27448	33.8
622.28009	5.6
638.82642	1.6
638.96320	1.5
663.69202	1.8
681.37024	6.2
690.65527	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	4.1
59.01378	8.0
66.72741	0.7
71.01379	2.8
71.44369	1.1
72.00890	1.1
75.00874	8.4
84.02168	2.7
85.02938	2.0
89.02441	1.4
92.05057	2.6
93.03444	1.5
99.04509	1.3
109.03003	1.0
116.05041	2.3
118.06621	14.2
119.04995	4.7
128.04094	1.2
128.05060	18.3
128.45232	0.8
129.01927	1.2
129.05450	1.5
129.64954	0.8
129.65944	0.9
131.03763	11.6
134.06287	0.8
143.05017	1.9
144.04547	89.7
145.02930	1.2
145.04878	3.1
146.06116	52.4
147.06406	2.3
152.01042	0.8
163.04004	4.6
172.04016	10.4
179.05609	5.8
190.05089	100.0
191.05513	7.9
193.04973	1.0
207.07703	4.6
207.09959	1.0
209.06670	8.0
211.07600	2.0
223.04622	0.9
237.09077	1.1
249.08795	56.2
250.09036	2.8
265.08588	2.8
313.03458	1.4
327.08688	10.1
387.16589	13.2
434.82068	0.9
489.14050	1.0
519.15326	5.5
681.19830	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	681.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.3
59.01382	2.5
61.98818	0.9
71.01380	1.9
71.21648	0.3
71.21996	0.2
72.45482	0.2
72.99302	0.4
73.02925	0.5
75.00869	0.4
83.01390	0.3
85.02926	1.0
87.00879	0.4
88.98808	0.3
89.02451	0.9
93.03451	0.2
94.06595	0.2
95.01411	0.3
96.96015	0.2
99.00867	0.3
101.02466	1.0
108.02190	0.4
109.02946	0.6
113.02458	1.3
119.03496	0.3
121.02952	0.3
125.02470	0.5
129.02016	0.2
130.99139	0.2
133.02867	0.2
134.03758	0.3
135.04500	0.6
149.05962	0.3
152.01157	0.6
161.04524	0.2
161.05867	0.2
163.04079	0.2
165.05565	0.2
177.15700	0.2
179.05466	0.2
190.02498	0.2
255.02945	9.5
256.03302	0.6
262.30420	0.2
267.02893	0.3
267.07230	0.2
268.03757	1.2
269.04541	8.2
270.04962	0.6
271.09729	2.3
280.29895	0.2
281.04596	0.4
283.02454	13.1
284.02802	1.0
297.04019	16.1
298.04776	22.6
299.05176	1.4
313.07156	100.0
314.07526	7.5
325.26050	0.2
403.17722	0.7
433.15073	0.5
475.16068	0.2
637.30981	0.9
681.26843	0.2
681.37402	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	681.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41260	0.2
60.99306	15.5
61.60855	0.2
71.53878	0.2
87.00871	0.5
88.00418	0.4
88.98804	100.0
89.02444	3.3
89.99139	1.1
109.49216	0.2
120.38763	0.2
140.30101	0.2
220.33386	0.2
235.68237	0.2
268.03763	0.4
283.06207	1.4
313.15182	0.2
345.13889	0.2
518.90558	0.2
595.27844	0.2
638.84656	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.5
59.01372	4.7
71.01373	2.7
71.05029	0.5
71.53192	0.5
72.99306	1.5
73.02930	1.9
75.00868	33.3
81.03451	1.1
84.02164	2.4
85.02922	0.9
87.00857	2.6
89.02443	1.3
93.02943	0.4
93.03431	2.1
96.96037	0.5
99.00901	1.0
99.04520	3.2
101.02441	1.3
106.80685	0.4
113.02480	0.9
119.03551	0.6
119.05022	9.8
123.04451	0.4
125.02455	1.3
129.01956	0.5
129.65875	0.4
133.02950	0.4
134.03723	0.7
143.03502	3.7
143.05006	1.4
145.03001	1.1
152.01170	0.5
161.04565	5.6
163.03996	12.1
164.04234	0.5
177.05655	0.4
179.05600	100.0
180.05933	2.1
191.05652	1.9
193.05084	0.9
209.06641	26.5
210.07040	1.1
211.07660	2.6
230.29860	0.4
237.09239	1.1
265.08588	2.0
309.07642	1.0
325.09253	14.5
326.09604	1.0
327.08734	9.5
355.10165	3.8
357.09775	0.7
519.14996	2.8
663.19482	0.6
681.20142	5.3
682.20117	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80398	0.3
58.96408	0.3
59.01375	0.8
61.98819	0.8
67.97539	0.4
69.66470	2.2
70.04377	0.4
78.95901	0.5
95.05028	0.4
97.06604	0.4
115.35686	0.4
175.41475	0.4
179.14420	0.8
195.13875	7.5
196.14670	0.9
205.12262	0.4
211.13316	0.9
223.13377	5.7
224.13921	1.0
227.07030	0.5
228.13524	0.5
231.21167	0.5
256.13147	0.9
265.21735	0.4
275.20154	4.2
276.20398	0.7
293.21210	100.0
294.21506	7.2
454.67465	0.4
508.00989	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	679.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06876	0.4
53.53525	0.3
55.01867	1.1
57.03445	2.0
58.00592	0.9
59.01376	27.5
60.11749	0.4
67.01880	0.7
68.99808	0.8
69.03432	0.8
69.26678	0.8
69.27087	2.9
71.01379	24.9
72.99310	4.4
73.02932	1.4
75.00867	12.0
78.12368	0.4
81.03441	0.9
82.66939	0.4
83.01383	1.2
85.02949	18.8
87.00876	7.6
89.02447	7.9
95.01379	4.3
97.02942	0.6
99.00877	7.3
99.04501	0.8
101.02424	3.7
103.00352	1.9
108.02171	0.7
109.02964	0.8
111.00820	0.6
112.01633	0.6
113.02444	25.8
114.02782	0.5
115.00372	1.2
117.01925	1.7
119.03462	1.1
129.01921	1.3
131.03426	0.7
152.01123	1.9
157.01442	0.6
161.13345	6.5
165.01881	0.4
171.17731	0.5
175.02472	1.6
187.11320	3.4
205.07118	1.1
205.10519	0.8
205.12306	7.8
206.12663	0.5
207.05034	1.3
228.59174	0.4
231.05107	1.4
249.06140	12.3
249.11281	1.3
267.07187	32.7
268.07611	1.5
276.84265	0.4
323.15018	0.6
353.65936	0.5
417.10590	0.5
437.18146	0.6
455.19098	6.4
456.19244	0.5
467.23758	0.5
481.17056	0.6
499.18179	29.2
500.18167	2.6
517.19330	2.5
589.55804	0.5
589.71503	0.6
661.23737	0.5
679.24457	100.0
680.24829	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	679.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46812	0.7
55.01869	1.1
57.03434	2.7
58.00588	1.2
59.01377	32.2
63.59211	0.6
65.80810	0.7
69.03461	1.0
69.69159	3.8
71.01378	28.7
72.99323	3.6
73.02955	1.6
75.00474	0.8
75.00872	13.4
83.01350	1.5
85.02948	22.5
87.00873	7.5
87.05711	0.6
89.02450	12.1
91.03970	0.8
95.01383	5.4
98.20564	0.9
99.00877	6.9
99.04501	0.9
100.01176	0.6
101.02433	4.4
103.00352	2.9
111.00867	0.8
113.02448	31.0
114.02769	0.8
115.00367	1.6
117.01931	1.8
119.03469	1.5
128.91174	0.7
129.01927	1.3
131.03487	1.1
149.04564	0.8
157.01463	1.0
161.13347	7.1
175.02443	2.4
187.11195	4.0
193.52467	0.7
205.07141	1.2
205.12335	7.4
207.05028	1.3
227.35100	0.7
231.05081	1.2
249.06142	12.8
249.11349	1.7
267.07196	42.2
268.07510	1.1
289.91995	0.8
455.19235	8.3
499.18198	21.3
500.18445	2.6
661.24384	0.8
679.24487	100.0
680.24866	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
58.00582	1.9
59.01379	41.7
60.01680	0.7
60.69333	0.7
61.91455	0.7
61.98822	4.8
69.03444	1.9
70.00865	2.2
70.01277	1.1
71.01379	32.7
72.99301	2.4
73.02953	4.0
75.00860	0.8
75.33080	0.7
78.95903	0.8
81.03456	1.6
83.01379	3.0
85.02956	7.8
86.33645	0.8
87.00877	7.9
87.34440	0.7
89.02438	25.3
95.01401	2.3
97.02943	4.7
98.20544	0.9
99.00885	1.9
101.01795	1.5
101.02436	25.8
104.17608	0.7
111.04523	1.2
113.02446	13.7
119.03495	8.9
125.02438	9.2
131.03487	1.1
139.04022	1.0
143.03484	6.4
145.02911	1.6
149.04497	1.0
161.04547	5.5
179.05595	5.8
219.05174	0.7
221.06654	2.4
235.08209	12.8
253.09163	3.4
263.07745	1.2
277.09311	1.0
279.23270	100.0
280.23569	8.8
287.07755	3.3
305.08905	3.7
323.09793	1.7
358.12421	0.7
361.11493	0.8
379.12445	0.8
397.13464	81.9
398.13770	5.9
415.14514	34.9
416.14890	2.7
513.11584	0.9
577.27283	0.9
600.85840	0.7
677.38971	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60012	0.2
55.01875	1.4
57.03445	1.2
58.00591	2.1
59.01375	51.3
60.01714	0.4
61.98826	2.3
65.80037	0.2
67.01888	0.5
68.99806	0.7
69.03445	2.4
69.45157	1.5
71.01377	40.4
72.01731	0.5
72.99303	3.3
73.02942	7.3
75.00880	0.9
76.06982	0.2
78.95895	0.6
79.01898	0.4
81.03454	1.5
83.01384	4.7
83.05027	0.5
85.02943	8.9
86.00092	0.6
86.03307	0.3
87.00869	11.0
87.04505	0.5
89.02437	35.1
90.02767	0.3
91.04017	1.1
93.03428	0.7
95.01379	2.8
97.02939	7.1
99.00868	2.3
99.04516	0.6
101.02433	32.1
102.02789	0.5
103.03996	0.5
105.49247	0.2
109.02974	0.5
111.00874	1.3
111.04512	1.6
112.33984	0.2
113.02441	16.0
114.02779	0.3
115.03970	0.8
119.03490	10.7
121.02944	0.8
123.00912	0.6
123.04523	0.4
124.01640	0.5
125.02442	14.1
127.03984	0.6
127.07604	0.3
131.03555	1.5
133.05067	1.3
137.02422	0.5
139.04004	1.2
141.01950	0.7
143.03488	6.6
144.03874	0.3
149.02473	0.2
149.04547	0.8
156.44702	0.2
157.04945	0.3
157.49879	0.2
161.04547	8.0
167.03511	0.7
169.05048	0.6
170.87737	0.2
171.03038	0.3
179.05605	7.2
180.05937	0.2
181.05026	0.4
185.04538	0.9
197.89136	0.2
199.06119	0.6
203.05594	0.5
217.07129	1.1
219.05115	0.6
221.06622	2.7
233.22733	0.5
235.08200	15.9
236.08507	0.6
245.06671	0.9
253.09221	4.0
259.08066	0.2
259.20731	0.6
263.07599	1.4
275.20190	0.4
277.09668	1.1
277.21689	100.0
278.22018	7.1
287.07709	4.0
291.23428	0.3
299.30481	0.2
305.08737	4.1
310.75110	0.3
323.09784	2.1
361.11307	0.5
379.12421	1.1
397.13461	89.2
398.13797	6.9
415.14523	36.3
416.14825	2.9
542.88953	0.2
675.35712	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84930	0.3
55.01880	2.1
56.19376	0.3
57.03448	1.4
58.00586	2.4
59.01377	53.9
60.01733	0.4
61.02985	0.3
61.98833	0.8
65.15289	0.3
67.01909	0.4
68.99831	0.5
69.03448	1.8
70.91927	0.3
71.01378	41.6
71.29726	0.4
71.30072	0.3
72.01708	0.3
72.99304	2.3
73.02941	8.1
75.00883	0.7
81.03460	1.8
83.01382	5.2
83.05025	0.5
85.02950	8.9
87.00877	9.6
89.02441	37.0
90.02788	0.5
91.04012	0.9
93.03459	0.5
95.01379	2.5
95.05037	0.4
97.02946	7.7
97.03571	0.5
98.03275	0.3
99.00870	2.5
99.04526	0.6
101.02435	33.4
102.02797	0.9
107.05098	0.3
109.02951	0.6
111.00904	0.9
111.04529	1.2
113.02444	19.0
114.02747	0.3
115.04004	0.8
119.03495	11.3
121.02949	0.8
122.34502	0.3
123.00930	0.5
124.01652	0.5
125.02441	14.0
127.04030	0.6
127.07673	0.4
129.01965	0.5
131.03517	1.8
133.05032	1.6
137.02385	0.4
139.04036	1.1
141.01958	1.0
143.03487	6.0
149.04564	1.1
161.04555	8.1
167.03513	0.7
169.05119	0.6
179.05612	6.9
181.03246	0.3
185.04579	0.6
199.06139	0.6
217.07167	1.0
219.05045	0.6
221.06621	2.6
224.12663	0.4
233.22781	0.6
235.08212	16.1
236.08604	0.6
245.06667	1.0
253.09264	3.8
259.08038	0.3
259.20685	0.5
263.07660	1.4
275.20081	0.4
277.09412	1.0
277.21701	100.0
278.22040	8.2
287.07733	4.1
305.08835	4.0
323.09860	1.8
352.05319	0.4
361.11472	0.6
379.12482	0.9
397.13474	88.1
398.13824	6.0
415.14548	36.4
416.14908	2.6
646.08698	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70494	0.3
59.01384	0.8
61.98811	0.4
62.49741	0.2
63.02392	0.5
65.00320	1.0
69.21767	2.5
71.01377	0.5
82.95417	2.7
83.01387	0.7
83.02495	0.3
86.71241	0.2
87.68954	0.2
89.02465	0.3
95.58925	0.2
96.96026	0.5
98.20770	0.2
101.02440	0.4
104.23540	0.2
105.03464	0.4
107.01396	2.4
113.02478	0.4
120.67696	0.3
121.02940	0.4
132.02126	0.3
133.01927	0.6
133.02945	11.9
134.03256	0.4
147.04495	0.3
149.02477	1.9
151.00360	5.1
152.96533	0.3
165.12857	2.7
171.04495	0.4
175.03998	3.1
176.04265	0.3
183.13875	7.3
184.14238	0.5
197.06067	0.4
198.03262	0.4
199.04001	2.2
201.01953	0.7
207.13927	0.3
209.11864	0.6
213.05589	0.4
217.04988	1.4
227.12863	16.3
228.13191	0.8
241.05057	0.8
243.02898	0.9
247.69400	0.3
251.12756	0.3
257.04431	0.5
261.46146	0.2
283.06012	0.5
285.04022	100.0
286.04382	6.6
389.18112	4.6
456.89093	0.3
618.95135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.4
57.03443	18.2
58.02971	3.2
59.01387	1.6
61.98846	1.1
66.42809	1.3
69.64794	6.9
71.01369	7.7
72.99295	1.1
73.02939	3.3
73.75332	1.1
74.02469	8.2
75.00849	1.7
79.95726	1.5
83.01389	9.5
84.02176	1.4
84.04545	1.3
85.02943	100.0
86.03255	1.6
96.95377	2.3
96.96004	44.2
98.02454	3.0
101.02430	5.2
105.68135	1.3
111.00873	36.9
116.03539	3.4
119.05013	12.3
128.03542	3.2
129.00957	2.6
129.01929	51.9
130.59785	1.2
131.03758	5.3
132.04504	6.5
144.04509	2.5
145.02945	2.3
147.02901	1.6
157.07675	3.6
158.06119	4.9
161.04509	5.5
163.03969	10.6
164.04448	1.1
165.24884	1.1
175.08755	4.4
179.05540	1.5
187.02499	3.1
191.01955	3.0
201.06651	2.9
205.01974	0.8
205.03502	53.4
219.07704	5.1
223.04567	72.6
224.04904	3.0
261.08746	36.3
262.09052	2.0
299.64502	1.3
369.08206	39.2
370.08667	1.9
379.92099	1.2
573.38855	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	0.2
59.01376	1.9
61.75277	0.1
69.32797	1.2
71.01376	1.8
71.05032	0.2
73.02950	0.3
80.02658	0.9
81.03436	1.0
83.01379	0.5
83.05025	4.5
84.02167	0.6
84.05286	0.1
85.02950	0.5
87.00901	0.2
89.02442	1.2
93.03476	0.2
95.01382	0.3
95.05025	0.9
97.06561	0.2
101.02438	1.7
109.06601	0.3
113.02435	0.9
119.03503	0.4
125.06074	0.5
125.09727	0.2
135.08136	0.7
145.05063	0.2
147.11835	0.2
149.09708	0.2
154.16731	0.2
161.04581	0.9
163.11273	3.5
165.12833	2.9
166.13286	0.2
171.10272	2.2
173.09669	0.2
179.05566	0.2
181.12315	0.5
183.13866	1.4
185.11838	0.3
191.08566	0.1
191.10757	0.8
199.13341	0.9
207.10210	0.2
209.11812	100.0
210.12157	5.6
211.13416	1.0
219.25160	0.1
221.11819	0.3
223.13541	0.2
225.11310	0.4
227.12874	17.0
228.13176	0.9
235.08170	1.7
247.13385	1.0
253.06638	0.3
253.09268	5.9
254.09589	0.3
265.14478	0.4
283.48892	0.2
300.02762	0.2
301.03342	0.2
394.57352	0.2
401.23099	0.4
419.24469	0.3
445.20694	1.1
463.21866	0.3
577.02380	0.2
606.62970	0.2
637.32312	0.6
655.33356	0.5
673.33313	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.0
55.14338	0.9
56.11756	0.8
57.03444	20.0
59.01379	2.1
61.98812	1.6
62.45947	0.9
64.37152	1.0
67.01865	1.0
69.62241	6.3
71.01379	6.8
71.88226	0.9
73.02942	1.7
74.02454	6.1
75.00881	1.5
78.88380	1.0
83.01373	10.0
84.02158	3.0
85.02946	100.0
90.46195	1.1
96.95992	5.2
98.02499	1.3
98.20625	2.3
101.02447	5.6
104.09129	1.1
111.00875	35.4
116.03527	3.4
119.05028	15.1
125.02452	1.3
128.03551	1.4
129.01939	62.2
132.04492	3.3
134.58662	1.0
137.06064	1.7
138.83315	1.0
146.95393	1.0
147.02969	2.4
161.04517	5.0
163.02765	1.6
163.04018	16.7
164.04266	1.0
187.02441	3.2
191.01909	3.5
205.03508	43.9
223.04572	83.3
224.04816	1.9
261.08807	5.7
306.99078	1.0
369.08237	39.1
370.08527	3.3
406.07480	1.2
413.11523	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.2
57.03442	0.1
58.00610	0.1
59.01373	1.8
70.63166	0.2
70.63496	0.2
71.01379	1.7
71.05012	0.1
72.99308	0.1
73.02966	0.3
74.51987	0.1
80.02673	0.8
81.03451	1.1
83.01384	0.4
83.05025	4.3
84.02157	0.6
84.51465	0.1
85.02955	0.3
85.22559	0.1
87.00883	0.4
89.02452	1.1
93.03443	0.1
93.04028	0.1
95.01414	0.2
95.05023	0.7
97.02961	0.1
97.06587	0.2
99.79409	0.1
101.02442	1.8
109.06593	0.2
111.08156	0.2
113.02436	0.9
119.03494	0.3
123.08178	0.1
125.06091	0.4
125.09722	0.3
135.08167	0.6
139.91946	0.1
143.03528	0.1
145.05038	0.2
147.11818	0.2
151.00438	0.1
153.12790	0.2
161.04567	0.6
163.11288	3.1
165.11584	0.2
165.12839	1.9
166.13107	0.2
171.10260	1.9
179.05577	0.2
181.12337	0.7
185.11778	0.2
191.10782	0.8
199.13318	0.6
207.10321	0.1
209.11810	100.0
210.12149	5.9
211.13408	0.5
223.13365	0.2
225.11249	0.2
227.12868	14.0
228.13156	0.8
235.08217	1.5
239.12852	0.1
247.13443	1.0
249.15199	0.1
253.09268	5.5
254.09573	0.2
265.14450	0.3
300.02493	0.2
301.03580	0.3
343.62308	0.1
375.21646	0.2
401.23062	0.3
419.24506	0.2
437.25458	0.2
445.20578	1.1
463.21536	0.3
483.22418	0.1
593.29724	0.2
611.31323	0.2
637.32269	0.6
655.33301	0.3
673.21759	0.2
673.33850	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
57.03439	1.1
58.00593	1.0
59.01382	10.8
59.89509	0.7
61.98832	15.1
69.03476	1.3
71.01381	53.4
73.02939	2.0
78.26607	0.6
78.95889	4.1
80.02689	1.2
81.03458	2.4
83.01373	1.0
83.05025	3.0
85.02951	2.2
87.00879	1.8
89.02424	4.4
91.03978	1.0
93.03475	0.8
95.01392	1.1
95.05045	1.5
97.02946	3.0
97.06593	1.1
99.00877	3.1
99.78556	0.7
101.02457	6.5
109.06590	9.9
110.03801	0.9
113.02430	4.3
119.03486	1.2
121.02893	0.8
125.09711	2.3
127.11337	0.9
135.08176	1.7
136.05232	0.8
142.02747	1.1
143.03481	0.9
145.05080	1.5
151.11189	0.7
152.99561	2.3
155.10779	1.3
161.04533	2.6
161.09648	1.0
163.11282	8.4
165.12823	1.8
167.10826	1.0
167.14455	1.1
169.12343	0.8
171.10246	8.1
171.13850	0.8
172.10594	0.9
181.12337	4.4
183.13911	9.9
185.11826	3.0
189.09113	1.1
193.12334	1.9
197.11697	1.0
199.09776	1.4
199.13390	15.3
200.13690	2.1
201.11343	5.8
205.12439	1.2
207.10262	30.1
208.10574	1.9
209.11819	45.6
210.12180	3.0
211.13385	100.0
212.13742	5.3
215.12897	0.8
225.11308	20.0
226.11627	1.6
227.12874	44.1
228.13293	2.0
229.14348	1.2
235.08226	5.4
243.12415	1.3
247.13359	1.3
253.09267	10.9
253.14410	1.1
265.14279	1.0
275.19891	0.7
293.21353	1.0
311.22318	1.2
373.23703	1.7
383.22000	3.4
391.24789	2.2
401.23221	7.4
419.24399	2.5
443.19006	2.1
445.20685	1.4
447.22198	1.5
461.20261	4.7
463.21655	6.4
493.28571	1.1
637.32178	5.9
638.32831	1.0
655.33392	10.6
656.34167	2.2
673.34265	13.6
674.34607	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	673.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
57.03199	0.9
57.03447	10.3
59.01377	54.8
61.98809	2.1
63.16046	0.5
67.01856	0.7
68.99795	1.2
69.03446	1.0
70.08612	2.5
71.01380	19.7
72.99297	3.7
73.02939	5.1
75.00871	13.0
75.97244	0.6
81.03436	0.7
83.01379	3.2
85.02946	20.3
87.00869	8.0
89.02444	6.5
93.03441	0.7
95.01384	5.0
95.05005	1.0
97.02937	2.0
99.00872	7.2
99.04518	7.5
101.02453	6.8
103.00359	2.4
109.02950	0.7
109.06569	1.3
111.00876	1.0
113.02450	30.0
114.02809	0.8
115.00348	1.5
117.01916	2.5
119.03491	0.5
119.04996	0.7
121.06593	0.8
122.03699	1.8
123.04480	0.6
124.05308	4.0
125.02468	5.3
129.01921	1.7
131.03481	1.4
133.06577	1.3
137.06064	1.5
139.06633	1.0
139.07648	16.1
142.99829	1.2
143.03508	0.8
147.08215	0.9
149.04553	1.1
153.05536	0.8
161.04538	4.4
168.07903	2.2
175.02473	2.5
181.08684	0.8
187.11201	3.0
205.07130	1.7
205.12338	4.7
207.05113	0.7
225.07623	0.6
231.04994	1.0
249.03661	0.5
249.06119	11.9
267.07190	58.4
268.07520	2.6
271.02405	2.0
279.12350	1.5
285.04047	1.3
299.01999	6.5
309.08240	13.1
310.08633	1.0
313.03513	1.1
314.04260	4.9
328.05795	0.7
329.06631	31.4
330.07022	3.2
349.11386	2.7
393.10202	0.9
410.32336	0.6
411.06067	1.4
411.11377	21.6
412.11581	1.1
423.16849	0.7
551.54474	0.7
562.19171	1.7
563.19452	1.2
629.24054	1.2
637.17761	7.2
638.18036	1.6
673.23419	100.0
674.23706	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.2
57.03449	13.4
59.01377	34.3
61.98833	1.9
63.07395	0.9
63.20395	1.0
69.03458	1.8
71.01377	24.0
71.29890	1.8
72.21427	1.1
72.99301	3.4
73.02968	1.2
73.94234	1.2
75.00474	1.4
75.00868	17.8
85.02460	1.6
85.02950	25.3
87.00867	6.7
87.22854	1.0
89.02444	6.0
93.03435	1.4
95.01378	5.4
97.02980	2.4
99.00879	10.7
99.04521	10.8
101.02428	3.9
103.00385	2.6
107.04981	1.2
107.54675	1.2
109.02963	2.9
109.06609	1.6
111.00926	1.0
111.04478	1.0
113.02446	36.1
115.00380	1.8
117.01945	2.2
122.03707	4.1
124.05267	1.2
125.02436	2.2
129.01927	2.6
131.03502	1.2
133.06616	1.5
137.06039	3.0
139.07642	4.2
157.01328	1.4
161.04564	10.0
163.07564	1.2
175.02458	2.9
186.45604	1.0
187.11214	6.6
190.09891	2.4
199.11153	1.2
202.10019	1.2
205.12350	11.2
207.04930	1.3
217.12315	4.6
231.05052	2.2
231.10132	2.9
235.13368	1.7
249.06148	31.2
250.06387	1.5
261.11349	2.9
267.07208	46.4
268.07529	1.1
279.12506	1.2
285.03790	1.3
309.08267	6.6
349.11368	1.5
411.11124	8.3
511.18170	35.8
511.25848	2.3
512.18378	3.7
529.19220	58.6
530.19696	5.7
571.20184	9.8
611.22998	4.9
673.23438	100.0
674.23602	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13676	0.5
55.01881	0.5
57.03442	3.3
59.01376	6.3
69.03448	0.5
71.01373	7.5
72.99299	1.1
75.00864	17.8
83.01387	0.8
84.02168	1.0
85.02934	8.0
87.00871	5.5
89.02435	2.0
93.55717	0.4
98.70518	0.5
99.00889	4.0
101.02431	0.9
111.00871	1.1
113.02374	0.5
119.05020	20.5
119.37299	0.4
120.05337	0.9
129.01936	11.4
133.06592	0.7
135.04541	0.6
141.01938	0.7
145.02917	3.2
159.02995	4.3
161.06085	1.9
163.03996	26.1
164.04291	2.1
167.03482	1.1
177.04033	32.3
178.04384	0.8
179.05635	0.6
195.05084	47.5
196.05417	1.2
205.05040	1.0
323.07724	1.7
341.08722	100.0
342.09064	8.3
346.06522	0.5
632.61029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22745	0.6
51.92022	0.5
59.01357	0.6
61.98812	1.2
65.00340	0.6
75.58217	0.5
83.01373	0.6
93.03433	1.1
107.01389	1.3
122.38164	0.6
125.02398	1.2
130.19229	0.6
149.02428	4.8
150.03195	1.3
151.00354	4.6
167.03394	0.5
177.01886	1.0
185.06178	0.7
185.53778	0.5
191.03464	1.4
191.05341	0.7
215.03531	1.2
217.04868	0.6
227.03499	0.9
232.13438	0.5
239.03378	0.8
255.02911	1.2
272.03268	2.8
283.02530	0.8
300.02707	37.3
301.03479	80.2
302.03714	4.3
313.03546	0.6
343.04477	1.3
352.05435	0.7
463.91971	0.6
609.14520	100.0
610.14807	11.6
610.23859	0.9
627.58929	0.6
672.21344	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43731	0.2
53.33828	0.2
55.01875	0.3
57.03433	0.6
57.18748	0.2
57.74800	0.2
59.01376	4.2
61.61937	0.2
61.98811	0.6
65.19176	0.2
69.03448	1.7
69.78519	0.8
71.01377	3.1
71.05010	0.8
72.99297	0.6
73.02943	0.6
79.91738	0.2
80.02681	1.1
81.03439	1.4
83.01367	0.7
83.05020	4.8
84.02153	0.7
84.05369	0.2
85.02946	0.8
87.00861	0.7
89.02435	2.4
93.03447	0.6
95.01381	0.3
95.05026	0.8
97.02954	0.4
97.06586	0.4
101.02443	3.6
109.06567	0.8
113.02471	1.8
119.03499	0.5
125.02416	0.2
125.06018	0.5
125.09661	0.5
129.01886	0.2
135.08124	0.7
135.11787	0.4
143.03470	0.4
145.05051	0.7
147.11839	0.3
149.09642	0.4
153.09048	0.2
161.04543	1.3
161.13301	0.2
163.10062	0.1
163.11272	3.8
165.12820	2.2
167.10741	2.5
171.10237	2.3
177.12804	0.3
179.05501	0.6
179.10722	1.0
179.14400	2.7
181.12315	0.5
183.91557	0.2
191.10736	0.9
195.13889	8.1
199.13266	0.4
205.12308	7.9
206.12660	0.5
209.11801	100.0
210.12143	5.0
210.13994	0.4
211.13307	0.3
212.93874	0.2
223.13367	78.3
224.13741	3.7
224.48798	0.2
227.12857	16.3
228.13199	0.9
232.23174	0.2
235.08195	3.9
246.21320	0.2
253.09259	9.6
254.09634	0.4
261.14868	1.7
267.70508	0.2
328.01901	0.2
328.05722	0.2
415.24915	0.6
433.25681	0.2
441.21207	0.8
445.20712	1.5
459.22314	8.3
460.22571	0.8
463.22052	0.4
466.79922	0.2
633.32904	1.0
651.34094	1.2
669.32770	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
68.81944	0.1
69.19170	0.4
69.19587	1.1
74.95406	0.1
107.01376	0.1
119.04385	0.2
147.75388	0.2
212.81430	0.1
227.03525	0.2
256.03647	0.2
279.78888	0.2
284.03244	15.4
285.03485	1.2
299.05579	31.1
300.05942	2.4
607.16675	10.3
608.17047	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.3
57.03462	1.2
59.01377	32.8
60.99279	3.0
61.98818	4.4
62.12194	1.0
63.47060	0.9
69.03449	1.9
71.01378	22.8
72.99293	3.2
73.02950	3.6
75.00534	1.0
75.00874	11.8
80.86559	1.0
83.01383	2.7
85.02947	6.0
87.00886	5.4
88.98808	14.8
89.02441	25.1
95.01386	1.8
96.95971	1.1
97.02938	3.9
99.00838	1.4
101.02438	21.7
111.04484	1.4
113.02447	10.0
116.92835	1.1
118.95114	1.0
119.03501	6.9
119.04989	3.2
121.03029	1.1
125.02457	10.0
128.98743	1.1
131.03499	1.7
133.05029	1.5
143.03479	3.5
145.02921	3.2
149.89584	1.1
161.04535	4.5
163.03951	3.1
179.05563	4.4
179.06992	1.3
209.11812	71.6
210.12100	3.8
217.07271	1.1
235.06245	1.1
235.08241	9.3
253.09406	1.5
283.05951	1.7
287.07632	3.1
295.64996	1.1
300.14777	1.2
305.08661	3.0
397.13477	100.0
398.13794	7.7
415.14478	30.3
416.14996	2.1
463.23325	2.8
600.66339	1.2
607.26245	5.5
623.36481	9.5
643.94604	1.2
667.39392	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	667.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06322	0.6
54.28440	0.7
57.03429	3.6
59.01371	5.7
61.40869	1.0
71.01373	6.7
71.53268	1.1
72.99314	1.2
73.02962	0.9
75.00863	11.6
85.02950	10.8
87.00875	1.4
89.02454	4.5
93.03434	1.8
96.95982	1.2
97.02959	0.9
99.00872	4.5
101.02419	1.7
109.02982	0.7
111.00836	1.2
111.23248	0.7
113.02443	2.0
119.05017	66.1
120.05354	2.4
125.02438	1.3
129.01933	15.4
135.04555	1.0
143.04993	0.7
145.02927	1.9
151.07037	0.7
159.02974	3.2
161.04601	0.7
163.03996	100.0
164.04288	4.5
177.04022	8.8
179.05585	5.9
195.05074	46.6
196.05374	1.4
211.07645	1.8
226.43042	0.7
265.08664	1.1
266.59174	0.6
327.08688	7.0
341.08597	38.9
342.09109	3.1
354.35611	0.8
435.51425	0.8
448.28348	0.8
489.13669	2.1
505.13641	2.6
667.18689	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	667.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.7
59.01373	4.4
61.98829	0.6
71.01379	2.2
71.53418	0.5
72.99300	0.5
73.02966	0.5
83.01405	0.4
85.02946	1.2
85.60307	0.4
89.02451	1.6
101.02449	1.2
108.02180	2.7
109.02996	2.4
113.02446	0.9
116.90267	0.4
117.03433	0.6
119.03492	0.5
125.02455	0.4
125.93060	0.4
137.02426	0.7
145.02969	1.2
152.01131	6.0
153.01886	1.1
159.22397	0.4
163.03992	0.7
176.04572	0.4
240.04289	0.8
268.03738	48.6
268.86462	0.4
269.04208	3.1
269.06699	0.5
281.04321	0.4
283.06091	100.0
284.06491	6.9
325.07172	0.8
349.68002	0.4
368.90314	0.4
372.80875	0.4
399.09378	0.6
417.10434	3.2
519.52655	0.5
597.42401	0.4
607.16705	5.2
608.17273	0.7
617.30518	2.1
638.30182	0.8
667.22052	6.2
668.22156	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11469	0.5
55.01893	0.7
57.03451	0.5
59.01377	15.1
67.97844	0.4
68.99834	0.6
70.36011	0.5
71.01380	4.7
72.99315	1.2
73.02956	0.7
73.05457	0.6
73.82365	0.5
74.02481	0.5
75.00876	1.0
81.03464	0.4
83.01398	0.9
85.02940	4.8
87.00862	0.5
89.02470	1.6
93.03461	1.3
95.01402	1.9
99.00960	0.7
101.02438	2.4
108.02172	53.2
109.02971	14.1
111.73730	0.5
113.02448	3.6
119.05028	0.8
121.02945	1.3
122.03799	0.5
123.00877	0.7
123.04581	0.6
134.03735	30.2
135.04570	3.6
136.01669	1.0
137.02449	2.8
147.04482	0.9
149.06065	12.4
150.06418	0.8
152.01147	100.0
153.01932	6.6
153.05507	0.6
160.01599	0.6
161.02481	0.9
163.04028	2.4
165.01929	1.0
175.03986	0.8
177.01888	0.7
178.02660	1.3
179.03503	4.8
179.10779	2.4
180.04187	0.5
181.04929	0.5
190.06367	0.5
192.04259	1.4
193.05029	1.3
203.08333	0.5
223.06010	0.9
223.09702	1.0
227.29128	0.5
245.09293	1.7
249.13455	2.6
253.07231	4.7
258.54465	0.5
263.07571	0.7
267.09018	5.4
283.10760	0.6
285.06058	1.9
291.14572	1.1
329.06509	1.0
389.15933	1.6
399.09277	15.9
400.09357	1.9
443.19122	1.1
487.18204	3.1
525.28967	0.5
593.15778	0.9
623.25226	1.6
667.18433	97.3
668.18774	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	665.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.8
58.00578	0.9
59.01376	40.2
69.08710	0.4
70.54423	1.0
71.01377	15.0
72.99300	1.3
73.02937	0.7
82.27248	0.4
83.01377	1.2
85.02940	3.1
87.00870	0.9
89.02444	21.6
95.01385	0.9
96.95983	0.5
97.06421	0.4
99.04482	0.5
101.02438	11.8
110.00343	0.3
113.02449	7.5
119.03493	8.8
125.02390	0.5
131.03468	0.9
143.03474	1.3
143.07124	2.0
149.04486	0.4
161.04503	2.1
161.08243	0.5
179.05632	2.5
248.25351	0.6
263.07904	0.5
323.13443	100.0
324.10291	0.4
324.13809	5.7
508.52936	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08709	0.1
51.89841	0.2
52.01829	0.2
55.19899	0.1
61.98827	100.0
62.98522	0.2
62.99229	0.2
64.15983	0.1
79.43801	0.1
101.21935	0.1
277.21744	0.2
505.24890	0.2
604.33093	0.2
628.21326	0.4
634.65344	0.1
634.75885	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	665.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.8
58.00592	1.5
59.01375	27.0
61.98813	1.2
71.01375	20.4
71.52640	1.1
72.67945	0.9
72.99302	2.5
73.02946	0.8
75.00464	1.6
75.00867	18.9
82.09290	0.7
84.25079	0.9
85.02946	11.7
86.31635	0.9
87.00874	3.5
89.02438	20.4
96.95985	3.0
99.00843	3.3
101.02440	13.8
111.00896	1.7
113.02436	7.9
119.03545	7.1
119.05013	29.3
125.02391	1.0
129.01932	13.6
131.03416	1.0
137.02364	1.0
141.01915	2.2
143.03461	1.1
145.02922	1.0
159.02995	4.9
163.04001	51.3
164.04301	1.4
165.87714	0.8
177.04018	5.8
179.05513	1.0
195.05080	100.0
196.05360	3.8
247.82843	1.0
308.12720	0.8
323.13446	85.6
324.13824	4.9
341.08725	32.0
342.08997	1.9
367.87234	1.0
665.17529	1.1
689.53766	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01326	1.4
61.98785	1.0
68.85072	0.3
71.01334	0.9
71.53133	0.6
73.02909	0.5
80.90508	0.3
83.01385	0.4
85.02888	0.5
86.69203	0.4
96.95965	0.5
98.10629	0.3
101.02410	0.5
107.01352	0.4
113.02380	0.5
145.02863	0.3
151.00249	0.8
166.74153	0.3
173.95668	0.3
194.20583	0.3
196.05167	0.4
197.98970	0.3
200.04729	0.3
201.11240	0.6
209.11847	0.7
211.03902	0.5
239.03413	1.0
240.04216	1.2
267.02963	0.7
268.03738	62.4
269.04053	4.6
283.06094	100.0
284.06436	7.0
284.09500	0.2
355.50262	0.3
372.55826	0.4
406.36835	0.4
424.15891	0.4
663.34442	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.4
56.20065	0.3
57.03442	0.7
59.01370	2.7
61.98815	1.0
69.03463	0.5
70.45366	0.3
71.01386	2.6
71.41209	0.6
72.99319	1.3
73.02945	1.1
75.00880	0.5
75.78734	0.3
83.01412	0.4
85.02942	2.6
86.37617	0.4
89.02444	0.9
95.01399	0.9
96.95984	1.0
97.02959	0.5
99.00896	0.8
101.02438	1.2
107.05036	0.3
108.02174	41.4
109.02966	11.6
110.03275	0.4
113.02423	1.8
119.03474	0.4
119.05041	0.4
121.02949	0.6
122.03722	0.4
123.00904	1.0
123.04471	0.6
125.02445	0.5
134.03815	0.4
135.04543	0.5
136.05298	1.2
139.07657	0.7
141.92120	0.3
151.00327	0.6
151.04025	1.3
152.01147	89.0
152.08342	0.6
152.53943	0.3
153.01903	4.6
158.14017	0.3
163.03987	2.2
163.07614	0.5
165.01930	0.3
175.07732	0.4
177.01891	0.6
179.03615	0.8
185.09650	0.5
186.10414	0.5
189.09201	0.8
201.12871	2.6
203.10779	1.6
204.11519	7.0
205.11931	0.5
207.03020	0.7
219.13885	5.9
220.14305	0.4
241.07037	2.1
263.12936	3.8
264.43134	0.4
267.04947	0.5
268.03821	0.8
281.08740	0.9
283.06110	1.7
285.06107	1.2
399.09317	15.7
400.09473	1.2
408.20859	0.4
417.10382	17.2
418.10605	0.8
501.18954	0.4
663.22876	100.0
664.23193	13.8
670.82440	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.8
61.98814	1.6
71.01382	2.6
71.03133	0.5
72.99328	0.5
73.02941	0.5
75.00858	0.6
78.04131	0.5
79.46807	0.5
80.71895	0.5
85.02935	1.3
89.02444	1.4
92.08068	0.4
96.96018	0.9
101.02443	1.3
113.02416	1.1
125.02392	0.6
146.45055	0.5
147.81555	0.5
152.01144	0.8
166.45561	0.4
195.06401	0.5
240.04291	1.1
243.33772	0.5
248.27924	0.5
268.03738	49.8
269.04196	2.7
283.06094	100.0
284.06418	6.8
305.08310	0.6
325.07214	2.2
457.24377	0.6
487.12369	1.3
487.25723	0.7
577.15326	1.7
614.52631	0.5
619.16858	1.1
619.28387	0.9
663.36560	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16763	0.3
59.01379	2.5
61.98825	4.2
67.05564	0.3
69.42914	2.0
70.65884	0.3
71.01366	2.1
73.02951	0.5
74.17693	0.3
79.95717	0.4
83.05013	0.5
85.02953	0.6
89.02434	1.6
96.96012	4.9
101.02433	1.5
105.39108	0.3
113.02421	1.0
115.00273	0.3
118.96741	0.3
119.03474	0.4
148.07698	0.4
161.04460	0.6
167.10739	0.4
169.12344	1.5
171.10223	0.6
173.07237	0.5
183.13898	6.1
193.12283	1.5
197.11794	0.4
200.72423	0.3
203.93669	0.3
209.11838	3.0
210.12218	0.8
211.13382	100.0
212.13710	5.4
227.12851	1.2
228.13277	0.5
247.42491	0.3
253.09303	6.9
254.09570	0.4
270.99680	0.3
323.10193	0.7
329.79666	0.3
339.23932	0.3
351.58231	0.3
372.40332	0.3
387.25412	0.7
395.61401	0.3
399.12158	0.3
405.26535	0.9
447.22302	11.1
448.22653	1.2
627.24170	0.8
641.35400	4.7
642.35931	0.6
659.33832	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	661.344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57904	1.0
56.80273	1.0
58.00596	1.8
59.01377	42.4
61.98820	3.3
67.74821	1.1
68.91880	1.1
69.39027	8.5
71.01378	45.8
72.99310	2.3
73.02941	2.5
78.35949	1.1
78.95911	3.1
80.57922	1.1
83.01385	4.0
85.02963	7.2
87.00865	11.0
89.02441	51.3
95.01390	2.1
95.93061	1.2
98.19933	2.2
99.00881	1.3
101.02438	22.7
113.02438	21.1
119.03500	17.1
125.02426	1.6
131.03502	2.8
143.03488	8.4
149.04584	1.5
152.99597	1.4
161.04526	8.7
179.05598	23.2
273.21811	1.0
277.21695	100.0
278.22086	7.7
291.23282	3.8
301.21613	1.9
319.22739	4.2
323.06311	2.0
323.09836	29.6
324.10229	2.1
341.10837	64.1
342.11185	3.5
601.32458	18.9
601.41809	2.2
602.32397	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	659.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48262	0.3
52.19862	0.4
58.57211	0.4
59.01382	2.2
61.98827	4.7
63.50594	0.4
69.03448	0.4
69.38115	1.0
69.38522	1.8
71.01383	2.1
78.95893	0.5
78.98520	0.4
85.02912	0.8
89.02443	1.5
96.96015	9.6
96.96954	0.9
101.02434	2.0
113.02450	0.7
114.11143	0.4
119.03473	0.4
120.32899	0.3
124.49410	0.4
146.37773	0.4
151.11258	0.4
161.04544	0.9
165.12814	0.6
167.10774	0.4
167.14394	0.7
169.12318	1.6
171.10298	0.4
179.05638	0.5
183.13881	5.9
184.14291	0.4
185.11832	0.5
193.12308	1.3
197.11803	0.6
199.13495	0.5
209.11815	3.6
210.12198	1.1
211.13380	100.0
212.13712	5.9
213.11389	0.6
227.12859	1.1
228.13255	0.5
235.08281	0.8
236.99619	0.3
253.09277	6.4
254.09622	0.4
297.12473	0.5
323.10516	0.6
387.25421	0.5
405.26578	1.0
434.48859	0.5
447.22351	10.8
448.22736	0.8
627.23297	0.4
641.35474	5.7
642.36096	0.7
659.34241	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	659.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	65.3
59.42934	0.3
60.01719	0.4
61.98837	0.8
83.01674	0.3
87.04865	0.3
90.97141	1.0
100.52747	0.3
115.68172	0.4
118.96618	0.6
132.98183	1.7
150.94887	0.5
153.50537	0.3
157.03571	1.5
159.01508	0.6
167.10118	0.3
174.99239	24.2
175.99669	0.4
176.98187	0.4
192.95818	3.1
201.02536	15.9
202.02675	1.1
217.00278	100.0
218.00572	2.0
343.03610	1.7
359.01440	32.9
360.01642	2.6
374.99182	47.3
375.99564	2.1
501.02554	0.5
517.00348	9.9
518.00690	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.8
57.03445	19.2
59.01371	3.6
61.98806	1.9
71.01388	6.1
72.99332	1.7
73.02931	2.0
83.01401	9.1
84.02173	3.0
85.02945	100.0
87.00872	2.2
98.19903	2.7
101.02438	6.2
111.00876	30.1
119.05033	13.7
129.01938	54.3
134.03723	1.8
161.04530	4.6
163.04002	14.1
187.02452	3.7
193.05110	3.4
195.05148	3.0
205.03519	41.5
205.05397	2.5
218.99414	1.8
223.04578	66.7
224.04912	2.3
261.08847	1.9
369.08200	29.9
370.08353	2.7
371.09924	4.7
375.43951	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
57.03432	0.8
59.01381	6.4
61.98535	0.7
61.98828	7.6
69.03479	0.8
70.04437	2.0
71.01377	5.1
71.05006	0.6
80.02675	1.3
81.03450	1.1
83.01376	0.8
83.05027	5.7
84.02159	0.8
85.02943	1.3
85.06561	0.7
87.00861	1.2
89.02445	3.2
90.57571	0.4
90.98547	0.5
95.01395	0.6
95.05044	0.5
96.96011	0.6
97.02935	0.5
97.06594	1.1
101.02443	5.2
109.06605	0.6
111.08141	1.9
111.18072	0.5
113.02430	3.1
119.03475	1.5
123.08194	0.6
125.02479	0.6
125.06063	0.5
125.09734	2.5
128.79257	0.4
135.08130	0.7
137.02380	0.7
139.04080	0.5
161.04544	1.8
163.11290	3.2
165.12846	2.8
167.14433	0.7
171.10274	8.9
179.05649	0.7
181.12360	0.8
183.13881	5.1
185.11710	0.5
191.10742	0.8
193.12343	1.8
205.15950	0.9
209.11819	100.0
210.12157	7.5
211.13390	84.2
212.13730	5.5
221.15428	0.6
227.12875	14.3
228.13191	0.6
231.13924	0.8
233.15468	5.3
235.08217	3.1
249.14888	4.5
251.16460	0.6
253.09282	10.3
257.17416	0.6
276.61966	0.4
300.43155	0.5
331.26364	0.5
341.24838	1.0
357.24036	0.5
359.25726	1.1
377.26398	0.7
385.23761	2.0
403.24823	6.1
404.25296	0.7
421.25830	4.5
422.26141	0.6
445.20673	2.0
447.22076	3.4
448.50568	0.5
621.32330	1.5
623.56567	0.5
631.78760	0.6
639.33838	3.5
640.34546	0.8
657.34869	36.0
658.35175	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	657.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20137	0.2
56.24146	0.2
57.03424	0.3
58.00584	0.3
59.01375	3.7
61.98826	4.7
67.22784	0.2
69.03436	0.6
69.28855	0.2
71.01376	3.4
71.05022	0.3
71.25648	0.2
73.02932	0.6
73.90627	0.2
74.94746	0.2
78.91887	0.2
80.02674	1.3
81.03432	1.2
83.01366	0.7
83.05017	3.9
83.33823	0.2
84.02157	0.8
85.02972	1.0
85.03405	0.2
87.00877	0.7
89.02443	2.5
95.01405	0.2
95.05042	0.8
95.68453	0.2
97.02945	0.3
97.06593	0.2
98.19897	0.8
101.02436	3.5
105.70733	0.2
108.02104	0.2
109.06607	0.4
109.07462	0.2
113.02456	1.5
119.03413	0.4
125.02439	0.2
125.06064	0.5
127.11295	0.2
135.08162	0.4
143.03520	0.5
145.05023	0.4
155.10722	0.3
159.13481	0.2
161.04507	1.2
163.11290	3.5
164.11578	0.3
165.12860	2.5
167.10788	0.3
167.14409	0.5
171.10239	1.9
179.05606	0.7
181.12291	0.6
183.13899	6.7
184.14122	0.4
191.10747	0.8
193.12323	1.7
197.11792	0.2
199.13383	0.9
209.11810	99.7
210.12164	5.0
211.13371	100.0
212.13716	5.2
223.13425	0.6
227.12872	16.0
228.13139	1.0
229.03252	0.2
235.08221	3.7
249.15060	1.3
253.09270	9.4
254.09766	0.4
285.03619	0.2
328.76956	0.2
376.31049	0.3
385.23477	0.2
403.24826	1.0
421.25723	0.4
429.20923	0.5
445.20895	1.7
447.22348	4.4
448.22665	0.4
463.21802	0.6
493.95673	0.2
621.32660	1.4
639.33331	1.4
640.35364	0.3
657.34619	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05136	0.3
53.47426	0.3
61.98819	1.1
63.02413	0.5
65.00333	0.5
71.93709	0.3
79.23763	0.3
86.19946	0.3
88.94096	0.4
98.19913	1.3
107.01391	0.7
121.02983	0.6
133.02943	2.7
147.78186	0.3
148.35103	0.3
149.02426	0.9
151.00368	3.0
171.44057	0.3
175.04013	1.0
179.73132	0.4
185.06169	0.4
189.05368	0.4
199.03922	1.8
205.64706	0.4
211.03973	0.4
217.05011	0.6
229.32535	0.4
239.03659	0.3
240.49706	0.4
241.04938	0.7
243.02983	0.5
247.57948	0.4
256.03790	1.0
257.04425	0.4
284.00015	0.4
284.03253	13.3
285.04019	100.0
286.04343	8.1
327.05087	0.7
359.54132	0.4
488.21326	0.3
513.93463	0.3
593.15057	67.8
594.15424	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	657.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	0.7
57.03440	0.9
59.01371	9.2
61.98830	9.5
64.14810	0.7
69.03474	1.0
71.01377	7.2
71.53875	0.9
81.03490	0.9
83.05005	5.5
85.02946	2.8
87.00865	1.0
87.35234	0.7
89.02427	4.5
92.00843	0.7
95.01378	0.9
95.05008	0.7
96.96008	2.3
97.06609	1.1
101.02441	5.6
109.06621	1.2
111.08187	1.1
113.02425	2.5
119.03510	1.3
119.91296	0.6
122.06124	1.6
123.08113	0.7
125.09703	3.9
136.07619	0.7
161.04527	2.4
163.11266	3.0
165.12836	2.3
171.10229	7.6
175.35066	0.8
183.13878	5.5
187.14926	0.9
193.12346	1.8
209.11806	79.1
210.12126	4.6
211.13373	100.0
212.13686	5.6
227.12898	11.4
231.13869	0.8
233.15463	12.4
235.08195	2.3
249.14966	4.5
251.16531	1.2
253.09268	9.9
259.11005	3.3
268.03680	1.0
283.06085	1.6
285.04059	0.8
301.11914	1.0
329.06647	1.1
331.26508	1.3
341.24731	1.8
375.25409	1.3
385.23764	3.9
403.24777	8.0
404.25055	0.9
421.26031	3.2
429.20938	0.9
445.20728	1.6
447.22311	5.4
495.29974	0.7
495.37292	0.7
581.24329	0.8
621.32794	0.7
625.23608	0.9
639.33801	14.7
640.34216	2.3
649.04150	0.7
657.25958	1.9
657.34790	46.0
658.35345	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	656.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14762	0.5
54.50015	0.4
57.57154	0.5
58.32248	0.5
59.01371	1.5
61.98828	20.3
63.02393	0.6
63.81580	0.4
65.00327	0.7
72.76927	0.6
73.85917	0.4
75.00908	0.7
81.03413	0.6
90.20126	0.6
93.03445	0.9
98.20692	0.8
107.01376	1.3
119.04993	0.5
121.02955	1.0
125.02449	1.0
129.01926	1.0
133.02960	0.6
143.05008	0.6
151.00369	2.2
159.04550	0.7
163.00366	1.7
165.01947	1.0
171.04486	0.6
185.06073	1.5
187.03993	2.1
197.06035	0.5
209.11823	2.2
211.04001	0.7
213.05537	1.5
227.03482	17.4
228.03828	1.2
229.05022	7.1
239.03403	1.5
255.02968	29.3
256.03552	3.1
257.04593	4.3
284.00012	1.0
284.03244	47.0
285.04010	69.4
286.04297	4.6
339.53836	0.6
397.13260	0.8
593.15070	100.0
594.15430	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	655.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.6
59.01376	22.3
59.10144	1.4
61.61208	1.6
61.98833	29.0
63.66294	1.6
65.03947	2.4
69.03458	7.5
71.01381	18.9
71.53922	2.7
72.99320	2.7
73.02948	5.1
83.01375	4.3
83.05026	7.9
85.02949	7.3
87.00880	5.8
89.02464	8.7
93.03468	2.9
95.01391	2.7
95.05032	9.3
96.96035	1.9
97.02953	4.6
97.06578	3.3
99.00886	2.5
99.04559	1.6
100.14178	1.6
101.02438	14.2
106.09158	1.7
109.06588	14.3
111.08131	2.1
112.98565	2.5
113.02439	7.7
119.03489	2.1
121.06559	4.0
125.02458	2.5
125.09686	4.0
127.11305	2.3
135.08206	2.4
143.03490	2.3
145.05090	2.4
149.09705	7.2
157.08786	2.8
161.04544	6.0
161.09738	3.0
163.11278	8.1
171.10265	100.0
172.10683	2.2
175.14737	2.2
181.12344	2.0
183.10255	5.2
183.13853	3.6
185.11884	4.6
189.09201	3.5
191.10832	3.0
193.12187	1.9
203.14383	8.0
205.12392	3.0
207.10252	28.0
209.11845	23.6
209.15286	2.4
210.12254	1.8
211.13390	38.1
219.13974	3.0
223.13358	3.9
225.11327	22.4
227.12820	2.8
229.12480	3.2
229.14420	7.6
230.94829	1.6
235.08171	11.6
235.13432	3.9
237.14957	11.0
241.14478	2.7
247.13383	33.9
248.13680	3.6
253.09303	14.8
253.14507	4.6
257.17529	2.9
265.14417	14.0
285.04129	4.9
329.29358	1.9
339.23468	3.7
357.24350	4.4
360.50177	1.9
373.23877	6.7
383.22217	13.7
391.24832	15.1
401.23282	21.3
402.23535	2.7
409.25974	10.0
419.24228	12.9
437.25244	5.4
443.19089	3.7
461.20093	5.4
491.91071	2.0
493.28061	2.3
501.23691	2.1
572.41449	1.8
593.15125	4.5
619.31287	12.0
627.33923	11.4
637.32324	29.6
638.32574	3.3
655.33014	54.5
656.33398	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	655.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.6
59.01355	1.5
61.98827	0.6
71.01366	1.8
71.52695	1.0
73.02930	3.1
75.00866	19.2
81.03460	3.3
83.01379	0.6
84.02142	0.5
85.02950	0.6
87.00871	15.6
95.01385	0.6
95.89874	0.6
99.04521	4.0
102.24094	0.5
113.02377	0.6
117.03488	0.6
119.05016	40.7
120.05353	1.0
123.04510	1.4
125.02442	10.7
128.33836	0.7
143.03523	0.8
145.02959	2.7
151.00323	1.5
152.01147	1.7
161.04533	21.3
163.03995	100.0
164.04338	3.5
167.03465	6.8
171.69698	0.6
178.99889	0.9
179.05597	29.0
180.06013	0.8
192.04263	0.7
193.05066	0.9
193.75725	0.5
207.06528	0.6
209.06757	0.7
223.18947	0.6
231.06740	1.0
289.07077	5.3
299.05493	0.6
317.06616	15.5
318.07227	1.2
323.52570	0.6
325.09253	37.6
326.09659	3.2
329.02924	1.0
329.09158	1.0
331.04697	0.7
337.07944	0.7
388.83301	0.6
440.34085	0.6
489.20166	0.6
518.06042	0.6
655.14728	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	655.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64500	0.3
57.03442	6.6
59.01371	1.2
61.98826	5.4
62.39825	0.3
63.02396	0.6
63.96448	0.3
65.00317	2.3
71.01381	1.8
72.99325	0.8
75.00873	2.0
81.03451	1.5
83.01386	4.1
84.77467	0.3
85.02951	1.5
87.00864	0.8
88.92471	0.3
91.11154	0.3
95.01385	3.0
97.92293	0.3
99.00894	0.7
99.04505	0.7
107.01395	2.2
108.02190	0.3
109.02919	0.5
111.00865	1.1
113.02464	1.3
119.05009	6.1
122.03732	0.8
123.00902	2.1
123.04522	2.7
123.60355	0.3
124.01650	4.4
124.49049	0.4
125.02441	54.9
126.02803	1.7
137.02487	0.5
146.03680	0.5
147.04633	0.5
150.03238	0.7
151.00368	6.6
152.01141	12.1
153.01866	1.0
153.05557	0.3
159.63313	0.3
161.04527	0.8
163.03998	13.9
164.04382	0.6
165.01981	0.4
165.05522	0.5
167.03493	11.8
178.99858	5.1
179.05534	1.6
180.00502	0.4
186.06725	0.5
187.03973	0.7
188.04749	1.6
192.04280	3.0
195.05055	0.4
203.07025	0.3
207.06612	3.8
213.05644	0.4
214.06349	1.3
215.03419	0.8
216.04205	1.7
229.04936	0.5
229.08696	1.0
230.05817	2.6
231.06590	5.0
233.04514	0.6
245.08180	1.0
249.07603	0.9
256.03604	0.4
257.04651	0.5
258.05295	3.4
261.08755	0.6
273.07648	6.1
274.04968	2.6
274.07724	0.6
275.05392	0.6
284.03311	1.0
289.07159	38.4
290.07404	2.3
299.05597	2.6
317.06622	100.0
318.06940	6.9
325.09232	3.8
329.08624	1.9
337.07742	3.0
512.65057	0.4
655.15118	12.5
656.14899	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98523	0.1
98.19770	0.1
116.53786	0.0
129.32770	0.0
209.11713	0.0
230.20523	0.0
268.03720	0.1
269.04074	0.2
270.04395	0.1
271.04669	0.1
283.06131	0.3
284.06360	0.3
285.06665	0.2
286.07004	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	653.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16760	0.2
55.01872	1.0
57.03439	1.0
58.00600	1.9
59.01379	40.9
60.01697	0.4
60.60961	0.2
61.98831	3.6
67.01894	0.4
68.99818	0.5
69.03450	2.5
69.68723	0.2
71.01379	35.5
71.23080	0.3
72.01721	0.4
72.99304	2.7
73.02946	5.7
75.00870	0.9
77.57142	0.2
81.03449	1.6
83.01389	4.1
83.05022	0.2
85.02946	8.3
86.00101	0.5
86.03316	0.2
87.00876	8.4
87.04536	0.4
89.02443	31.9
90.02768	0.4
91.04013	0.8
93.03468	0.3
95.01385	3.0
95.05012	0.2
97.02950	5.8
98.09470	0.2
99.00891	2.0
99.04527	0.5
101.02439	30.7
102.02767	0.4
103.00378	0.3
109.02956	0.6
111.00824	0.5
111.04506	1.2
112.01650	0.2
113.02448	15.0
114.02736	0.3
115.04009	0.6
119.03500	10.1
119.95490	0.2
121.02949	0.7
123.00880	0.4
123.04534	0.7
124.01685	0.3
125.02445	13.1
127.04000	0.6
129.01915	0.2
131.03522	1.7
133.05066	1.2
137.02467	0.3
139.04050	1.0
141.01956	0.5
143.02422	0.4
143.03497	5.9
145.02916	0.3
149.02502	0.2
149.04536	0.9
150.05959	0.2
161.04550	7.6
167.03503	0.9
169.05046	0.5
171.02980	0.3
174.53444	0.2
179.05606	6.4
181.05022	0.3
185.04530	0.5
199.06146	0.5
203.05652	0.5
209.04529	0.2
217.07167	1.0
219.05109	0.6
221.06697	3.1
229.28046	0.2
235.08211	14.8
236.08739	0.4
237.22150	0.4
245.06566	1.0
253.09285	3.6
255.23280	100.0
256.23618	6.4
263.07742	1.4
269.24847	0.6
277.09286	1.0
280.95404	0.2
287.07736	4.7
297.24319	0.2
305.08792	4.7
323.09833	1.7
334.03241	0.2
361.11377	0.7
379.12408	0.9
397.13474	98.9
398.13797	5.9
415.14545	34.4
416.14883	2.3
653.25861	0.3
653.37225	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64285	0.3
55.01863	1.2
57.03434	0.5
58.00590	1.6
58.65635	0.4
59.01379	34.6
60.01701	0.4
61.98828	4.9
65.93494	0.3
68.99803	0.5
69.03447	1.8
71.01379	32.4
71.42133	0.6
72.01719	0.6
72.99303	2.6
73.02942	5.9
75.00872	0.7
81.03456	1.8
83.01386	3.6
85.02949	6.2
86.00101	0.4
87.00872	6.8
89.02440	29.7
91.04015	0.7
93.03428	0.4
95.01378	2.0
97.02950	5.6
99.00872	2.0
101.02436	26.7
103.00399	0.4
103.04028	0.4
109.02944	0.7
111.00871	0.6
111.04493	1.4
113.02443	12.4
115.03982	0.7
119.03496	9.4
121.02901	0.6
125.02439	12.3
127.04000	0.7
131.03470	1.8
133.05042	1.2
139.03989	1.3
141.01909	0.7
143.03490	5.4
149.04533	1.0
151.03957	0.3
161.04533	6.4
163.03996	0.5
164.47380	0.3
167.03505	1.1
179.05598	5.5
180.06012	0.4
185.04556	0.9
217.07106	1.0
219.04991	0.4
221.06625	2.3
227.32414	0.3
228.37428	0.3
235.08206	14.1
236.08568	0.4
245.06599	0.7
253.09225	2.8
255.23270	93.7
256.23657	5.4
263.07678	1.7
269.24847	0.9
277.09134	0.9
287.07700	3.8
305.08731	4.9
323.09814	1.8
361.10977	0.4
379.12549	1.4
397.13464	100.0
398.13812	6.2
415.14545	32.0
416.14813	2.4
514.49170	0.4
545.48016	0.3
653.37677	0.9
670.43970	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	1.2
62.96407	0.6
64.75526	0.2
72.92667	0.2
77.09836	0.2
78.95903	100.0
96.96915	0.2
99.82104	0.2
108.07185	0.2
127.95962	0.2
137.35847	0.2
144.66284	0.2
148.98894	0.3
149.00090	5.2
152.99585	0.5
179.01144	0.3
205.15968	2.2
255.23286	0.8
285.12573	4.2
289.86148	0.3
302.52719	0.2
355.16806	2.4
385.17761	1.2
396.30911	0.3
406.77896	0.3
417.12442	0.5
447.13354	5.5
448.13690	0.5
451.19412	0.2
653.30096	56.1
654.30383	8.4
654.41431	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00309	1.2
55.01867	3.3
56.56702	1.1
57.03445	14.6
58.00591	2.3
59.01375	67.5
59.63404	1.1
60.95175	1.1
60.99289	1.4
61.00951	1.1
71.01379	56.6
71.53522	1.3
71.88981	1.2
72.99288	4.8
73.02923	3.3
75.00883	1.1
83.01378	3.4
85.02946	82.4
86.03267	2.1
86.18262	1.1
87.00861	4.0
88.98797	2.5
89.02440	81.3
90.02732	1.2
93.96130	1.2
95.01379	4.1
99.00878	4.1
101.02438	28.9
103.18526	1.3
108.02167	3.5
109.02927	2.5
113.02442	100.0
114.02760	1.6
116.92837	2.4
119.03490	32.4
121.02950	2.8
123.04520	3.4
125.02438	1.8
131.03494	68.2
137.02391	1.3
143.03476	12.6
143.69786	1.1
149.04523	4.8
152.01076	1.9
159.04536	2.9
160.05295	5.6
161.02449	2.7
161.04565	11.7
161.05862	2.3
172.05293	3.3
173.05994	4.0
175.07567	2.9
179.05595	77.9
180.05942	1.4
187.07632	1.5
189.05557	8.1
190.06345	7.1
191.05573	4.7
194.05795	2.4
205.08731	6.2
209.08202	6.6
249.29384	1.3
281.08047	2.0
295.09479	1.6
296.10437	4.3
311.12955	6.1
313.94650	1.2
329.13721	1.8
341.13907	16.4
342.14154	1.4
389.24579	1.2
431.22903	1.4
491.19232	3.6
593.31390	1.6
610.38794	1.3
611.31805	1.3
653.24451	40.4
653.33783	2.0
654.24884	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	653.2451
Annotation	PdOEPK
Peak:m/z	Relative Intensity
55.01877	1.6
57.03440	1.3
58.00584	1.3
59.01377	36.5
69.59309	5.8
71.01018	1.5
71.01376	24.7
72.99313	1.9
73.02921	3.6
75.00858	2.3
83.01363	3.6
85.02943	11.4
86.44091	1.1
87.00859	2.3
89.02441	17.4
93.03423	1.1
95.01378	2.6
95.12662	1.0
96.95985	1.4
98.19897	1.8
98.63395	1.0
99.00874	2.5
101.02450	12.4
108.02173	1.8
109.02945	6.9
113.02438	9.7
119.03470	3.2
119.04987	2.6
121.02961	1.9
122.03772	6.4
123.04500	1.3
125.02459	2.2
131.03500	1.2
132.80217	1.0
133.02878	1.9
135.04469	1.3
137.02432	1.3
143.03487	1.5
149.02434	10.9
150.03221	53.9
151.03812	2.3
152.01225	1.7
159.04524	2.4
161.02435	5.5
161.04535	2.0
163.04015	2.4
164.04799	1.7
165.05562	60.7
172.05191	1.4
173.06009	3.2
176.04767	3.1
179.03455	11.5
179.05585	1.8
180.04214	3.7
182.37627	1.0
187.07675	1.5
189.05647	1.6
191.07079	2.3
194.05809	12.2
195.06618	70.5
196.06880	2.1
209.08179	29.3
209.11412	1.7
210.08376	1.2
224.41853	1.0
241.05029	3.7
255.06522	2.3
273.12247	1.3
281.08246	2.6
283.09708	1.2
295.09607	3.7
295.12979	1.3
296.10434	2.2
299.09149	2.3
311.09283	4.9
311.12558	1.3
313.10767	5.9
326.11441	4.9
329.06604	2.4
341.13950	7.6
344.12576	14.1
345.13251	1.6
357.13498	1.8
359.15012	35.2
360.15320	3.0
374.98367	1.0
405.15463	3.5
473.17911	2.9
491.12424	2.0
491.19174	25.2
492.19373	3.1
497.82678	1.1
609.26904	2.4
653.24457	100.0
654.25122	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	653.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96569	0.8
51.38864	1.0
55.01854	0.9
56.82619	0.9
57.03439	2.1
58.00585	1.7
59.01380	32.2
61.30406	1.0
68.99812	1.7
69.03436	1.1
69.77653	3.8
69.78072	2.0
71.01008	1.7
71.01377	21.1
72.99313	2.7
73.02926	4.1
75.00867	10.2
83.01383	1.6
83.81394	1.0
85.02947	16.9
87.00887	5.0
89.02440	10.3
93.03440	1.4
95.01378	2.8
96.96017	7.4
99.00877	5.9
101.02431	5.5
103.00417	1.2
105.82860	1.0
113.02444	19.0
117.01933	1.8
119.03500	1.2
121.02931	1.6
122.03728	1.8
125.02385	1.1
129.01941	1.8
130.58751	1.1
133.02928	2.1
134.03729	15.5
135.11794	3.3
137.02435	2.6
149.02452	4.4
149.06026	2.8
150.03226	17.3
151.03958	2.9
160.01646	2.4
161.02486	1.6
161.09698	2.5
163.04012	1.1
165.01912	1.7
165.05551	13.6
175.02550	2.0
175.04027	2.8
177.05519	1.1
178.02693	3.2
179.07130	1.3
179.10767	18.0
180.04276	1.6
180.11087	1.3
181.05078	1.7
193.05045	11.5
195.06624	5.6
205.08823	1.1
205.10539	1.0
223.09718	4.1
225.89182	1.0
231.05075	2.3
249.06125	13.8
263.07660	5.0
267.07074	5.5
268.07471	1.4
281.09009	1.2
287.09326	1.4
297.13562	1.0
315.05048	1.7
321.30103	1.1
357.13391	1.4
375.14490	3.0
381.11984	4.2
387.63559	1.1
405.15741	3.9
429.17639	5.3
456.12759	3.5
457.13428	3.5
463.32837	1.1
473.16571	26.7
474.16934	1.9
488.58240	1.1
577.17346	1.2
609.27185	3.9
621.16064	2.3
653.22699	100.0
654.22638	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1721
Annotation	Syringetin 3-robinobioside
Peak:m/z	Relative Intensity
52.82368	0.6
57.54481	0.6
59.01386	3.1
61.98838	0.8
65.00341	1.1
65.39785	0.6
69.41872	4.7
71.01393	0.9
96.96014	0.6
98.08127	0.6
107.01400	0.9
128.03636	0.7
150.03238	1.0
151.00369	3.3
163.00427	1.1
165.05519	1.8
177.01880	0.7
195.06676	1.5
199.04092	1.0
203.03473	1.3
209.08116	0.8
213.01819	0.7
214.02614	0.7
215.03418	1.2
230.02202	5.9
231.02934	1.8
241.01443	3.8
242.02205	10.4
243.02969	5.9
245.00633	0.6
257.00983	1.1
258.01654	8.8
259.02396	6.1
261.00500	0.7
269.00986	1.9
270.01700	8.7
271.02417	5.3
272.03128	1.8
273.04062	8.6
274.01138	2.6
274.04623	0.9
285.03949	0.9
286.01175	11.2
287.01984	12.5
287.05457	1.0
297.00464	0.8
298.01062	3.2
299.01990	2.2
301.03513	14.5
302.04037	1.1
314.00620	2.5
315.01459	25.4
315.04807	1.1
316.01825	1.6
316.05869	1.7
317.06598	2.4
329.03003	54.3
330.03748	31.7
331.04175	1.6
344.05347	29.7
345.06116	80.6
346.06573	5.4
359.15128	1.3
387.07275	0.8
653.17188	100.0
654.17596	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	653.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25173	0.4
55.01877	0.7
57.03436	2.0
57.56500	0.4
58.00573	1.4
58.10400	0.5
59.01377	27.6
63.86922	0.5
67.01887	0.8
68.99792	1.0
69.03448	0.7
69.89730	2.2
71.01379	18.3
72.99300	4.0
73.02945	1.7
75.00868	12.4
81.03454	0.8
83.01363	1.4
85.02946	13.9
87.00880	4.8
89.02440	8.8
91.03993	0.8
93.03451	1.2
95.01379	4.3
96.95984	0.7
97.02961	0.7
99.00881	6.9
99.04522	0.8
101.02435	4.9
103.00368	1.0
109.02895	0.7
111.00882	0.6
111.04482	0.6
113.02447	16.9
115.00356	1.1
117.01924	1.2
119.03475	1.7
119.05046	0.9
127.07637	0.6
129.01936	1.3
131.03427	0.8
134.03737	1.3
135.11816	4.7
139.13948	0.5
149.02451	0.5
150.03235	0.8
157.01447	0.8
161.09714	1.8
163.03995	0.8
165.05635	0.7
171.06561	0.6
175.02513	1.1
175.03960	0.6
176.82053	0.5
178.02542	0.4
179.05620	4.1
179.10767	17.7
180.05913	0.8
180.11095	0.7
193.05002	1.2
223.09805	3.6
231.05135	2.1
243.12572	0.5
249.06169	15.3
250.06332	0.6
264.52820	0.4
267.07187	8.0
297.13260	1.0
300.02710	1.2
315.05124	2.1
357.13199	0.5
405.15564	0.7
411.16852	0.5
429.17575	6.8
455.15610	0.7
473.16620	23.3
474.16751	1.7
609.27667	0.9
635.21265	0.5
653.22900	100.0
654.23364	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	652.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
60.54125	0.3
61.98828	100.0
66.84430	0.3
69.79989	1.7
75.07847	0.4
78.95902	14.3
92.85505	0.4
98.20633	0.6
104.45040	0.3
128.92735	0.3
140.57652	0.4
149.00102	0.5
152.99608	0.4
163.87579	0.3
169.25494	0.4
213.08299	0.4
247.16132	0.3
285.12634	0.5
288.50970	0.4
304.32217	0.4
355.25812	0.4
391.26236	0.4
414.41553	0.4
447.13351	1.0
629.94641	0.4
653.30084	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	651.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31910	0.2
59.01368	0.4
70.15099	0.8
71.01380	0.4
75.00874	0.6
85.02936	0.4
93.03459	0.8
101.02477	0.3
117.03429	0.3
119.05022	88.8
120.05352	2.9
137.02499	0.2
147.44708	0.2
161.04654	0.3
163.03999	100.0
164.04329	3.8
179.05606	1.4
195.05122	0.5
205.05098	0.5
220.19215	0.2
229.04807	0.3
325.09216	3.3
326.09436	0.3
327.08704	0.8
341.08713	0.4
357.75128	0.2
489.13696	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59811	0.7
55.01876	1.4
55.02203	0.6
56.28279	0.9
57.03440	2.8
59.01377	30.0
61.98830	2.1
69.03471	1.1
71.01378	14.6
71.54001	0.6
72.99309	3.4
73.02931	2.6
75.00871	19.0
75.01303	1.4
83.01366	1.8
85.02944	16.8
87.00877	4.7
89.02415	4.8
95.01379	2.9
96.96012	4.5
97.02924	1.0
99.00880	5.5
101.02428	4.0
107.34168	0.8
107.84305	0.7
111.10458	0.7
113.02444	17.1
115.00350	1.7
117.01869	1.1
119.03537	0.9
121.02948	1.0
125.02393	1.5
129.01910	1.2
129.41025	0.7
137.02415	0.9
161.02480	0.9
161.04492	1.4
168.56255	0.7
179.03476	1.3
193.20760	0.7
194.05736	0.9
201.07065	0.7
209.08197	3.6
243.84901	0.8
269.04449	2.6
270.05081	1.0
284.03104	0.8
285.03918	1.6
285.07162	0.8
350.56702	0.7
389.21423	0.9
426.60516	0.8
565.24866	1.9
607.25958	100.0
608.26483	12.0
651.26099	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	649.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76020	0.4
55.01868	0.8
57.03438	2.6
57.11702	0.4
59.01379	20.9
61.98820	0.5
68.99812	0.8
69.03436	0.7
69.19891	3.7
71.01379	16.8
72.01704	0.4
72.99310	3.2
73.02950	4.6
75.00870	17.8
82.66788	0.4
83.01389	2.2
85.02947	18.3
85.44347	0.4
87.00877	5.8
89.02438	4.0
93.03452	0.8
95.01368	1.8
96.96009	2.3
97.02947	0.7
98.20695	0.9
99.00888	5.9
101.02441	4.3
103.00358	0.4
110.20068	0.4
110.98043	0.4
111.00861	1.4
113.02446	18.7
115.00386	2.1
115.01067	0.4
117.01940	1.4
118.56989	0.5
119.03525	0.8
119.05041	0.8
125.02438	0.8
129.01935	0.9
131.03491	1.3
138.82567	0.4
150.03200	0.4
157.01390	0.6
163.04033	0.7
165.05508	0.6
173.04506	1.7
175.02438	2.1
179.05461	0.4
189.12808	1.0
210.68114	0.4
247.06204	0.5
247.58969	0.4
261.04016	0.5
265.08649	0.8
307.14044	1.2
326.38681	0.4
327.08759	2.4
459.44836	0.4
605.24475	100.0
606.24774	10.4
644.22333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67971	0.4
57.03448	0.9
58.00600	1.3
59.01379	47.8
69.17268	2.5
71.01382	15.7
72.99305	1.2
73.02969	0.7
75.00871	1.6
83.01396	1.2
85.02958	4.1
87.00881	1.7
88.04080	0.6
89.02441	20.4
90.02796	0.4
93.63360	0.3
95.01403	1.1
96.96014	1.0
99.00862	0.6
100.24127	0.3
101.02441	11.7
102.02764	0.3
113.02444	7.1
119.03502	7.9
119.04995	4.2
120.58035	0.3
123.00889	0.6
123.24850	0.3
125.02483	0.7
129.01942	1.3
129.86519	0.3
131.03517	0.8
133.56050	0.3
137.02406	0.5
138.03249	1.0
139.07680	0.5
143.03503	0.6
143.07167	2.4
149.04564	0.7
153.05588	0.5
160.04010	0.4
161.04510	1.0
161.08240	0.6
163.04007	6.9
164.04341	0.4
167.03523	0.5
169.25400	0.3
177.04076	0.5
179.04205	0.4
179.05568	2.2
182.02199	0.7
195.05112	4.5
197.04568	2.4
209.02994	0.4
293.20764	0.3
305.06931	0.4
309.11942	0.3
323.13461	100.0
324.13858	6.4
341.08731	3.4
359.09650	0.6
647.16608	1.2
648.17944	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23857	0.9
52.73311	0.9
52.84195	1.0
55.57213	1.0
57.03433	3.4
58.02969	1.8
59.01389	5.6
63.21268	1.1
70.02975	1.0
70.89708	2.0
71.01379	8.2
71.14637	0.8
72.99289	3.6
74.02464	15.6
75.00468	1.8
75.00865	18.7
85.02950	10.2
87.00892	1.9
89.02435	2.6
93.03464	1.5
97.02954	1.1
97.87892	0.9
98.02460	2.0
99.00880	7.4
101.02438	1.4
109.02988	0.9
111.00878	2.1
116.03522	9.0
119.05019	53.5
120.05357	2.8
128.03520	3.5
129.01935	16.7
131.03722	2.8
132.04561	9.3
137.02425	3.1
144.04533	2.6
157.07680	2.4
158.06085	1.9
159.03020	6.0
163.03999	85.3
164.04323	3.5
175.08746	2.7
177.04034	13.4
177.05492	0.9
195.05078	79.7
196.05394	1.8
201.06729	2.1
219.07721	4.4
257.24438	1.0
261.08752	38.9
262.08987	1.6
341.08731	100.0
342.09064	7.4
386.90555	1.0
387.51498	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
57.03457	6.7
59.01383	11.8
62.49626	1.4
69.03464	7.8
69.20728	3.0
69.21146	9.9
71.01382	22.7
72.99295	1.3
73.02941	14.8
78.05247	1.3
83.01373	4.8
85.02538	1.1
85.02946	65.2
87.00871	100.0
89.02449	2.8
95.01401	9.3
95.12053	1.3
96.95996	9.3
97.02950	29.0
99.00868	2.8
101.02443	2.3
103.04009	11.1
109.02952	2.1
111.00892	3.1
113.02445	49.6
115.00362	13.8
115.04042	3.2
125.02405	1.8
128.03532	2.1
129.01950	2.5
135.13770	1.3
139.00371	2.8
145.05074	1.9
150.88281	1.3
157.01416	11.8
169.09856	2.2
173.04549	4.3
175.02464	75.9
176.02968	2.1
213.12457	1.5
215.03697	1.3
217.03552	22.4
243.09787	1.6
286.03833	1.3
303.07175	34.8
304.07404	2.6
313.07736	2.0
321.08139	14.1
437.08023	1.6
479.10397	12.5
497.11606	3.0
534.05292	1.5
539.12488	21.8
540.12659	1.8
625.16241	21.9
626.15961	2.3
643.17316	58.2
644.17712	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	647.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.6
57.04088	0.4
57.38147	0.5
59.01381	3.8
69.63789	2.1
69.64209	1.0
71.01370	3.7
72.55788	0.4
72.99306	0.6
73.02892	0.5
73.61613	0.4
75.00872	10.9
84.02175	0.5
85.02950	10.9
87.00846	0.9
89.02443	2.3
93.03504	0.6
97.02933	0.6
97.07436	0.5
97.37666	0.5
99.00860	2.4
101.02440	1.0
109.02944	1.0
109.95333	0.5
111.00939	0.7
119.05022	52.4
120.05352	1.5
123.00906	0.6
125.02429	3.4
129.01939	8.5
135.04463	1.0
137.02415	1.1
139.03978	1.0
141.01945	0.5
145.02953	1.3
159.02991	3.0
163.03999	100.0
164.04358	4.2
167.03496	1.1
177.04042	9.6
179.03465	1.5
195.05086	45.0
196.05374	1.3
219.06645	0.6
254.31052	0.5
284.89038	0.5
305.06583	7.0
323.13428	0.8
341.08731	41.0
342.09027	2.7
376.66040	0.5
544.72504	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25846	0.7
57.03441	3.2
59.01373	5.7
71.01386	7.8
71.52966	1.0
71.53318	0.8
72.99304	1.4
75.00868	18.6
84.58753	0.8
85.02945	8.1
87.00877	6.6
89.02448	2.8
96.95985	0.8
97.02942	1.0
99.00871	3.7
101.02447	1.8
111.00876	1.7
117.03374	0.8
119.05025	22.4
121.02885	0.7
125.02449	1.5
129.01935	11.9
129.41165	0.7
133.06580	1.6
141.01926	1.6
145.03000	4.1
159.02945	4.1
159.39391	0.7
161.06084	1.7
163.04008	32.2
164.04308	1.2
165.04103	1.2
165.05484	1.4
167.03491	1.3
177.04036	34.2
193.05106	1.1
195.05090	48.2
195.06566	1.9
196.05324	1.0
197.55984	0.8
205.04990	1.2
265.07196	1.2
312.07907	1.0
323.07678	2.3
341.08725	100.0
342.09039	6.4
359.23346	0.8
366.32895	0.8
384.16708	1.0
452.47171	1.0
505.25031	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
61.98828	1.3
61.99549	0.1
67.85783	0.1
69.03443	0.3
69.68994	0.9
71.01379	1.7
73.02930	0.4
77.33394	0.2
78.95893	0.2
81.64022	0.2
83.01347	0.1
83.05025	0.2
85.02955	0.3
87.00876	0.3
89.02439	1.1
89.86053	0.1
95.01373	0.2
96.96018	0.2
98.19958	0.2
99.00860	0.2
101.02428	1.2
113.02451	0.7
119.03453	0.3
125.02414	0.2
128.64326	0.2
132.03067	0.2
142.28127	0.2
161.04510	0.5
165.12798	0.2
167.10747	0.4
167.14424	0.5
179.05615	0.5
183.13885	6.4
184.14209	0.3
185.26631	0.2
193.12283	1.5
194.12512	0.2
207.10297	0.1
209.11989	0.2
211.13379	100.0
212.13712	4.9
235.08209	1.6
253.09273	3.7
325.25156	0.2
387.25497	0.4
405.26389	0.5
429.21136	0.6
447.22318	6.1
448.22778	0.5
623.34479	1.2
641.35126	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98863	0.2
59.01376	2.4
61.98828	3.1
63.23053	0.2
69.03452	0.3
70.67319	0.2
70.67672	0.6
71.01370	1.7
73.02939	0.3
80.09059	0.2
83.05035	0.4
85.02940	0.4
87.00872	0.4
89.02431	0.9
96.96002	0.2
98.18905	0.2
101.02444	1.8
103.49772	0.2
113.02439	0.8
115.35172	0.2
119.03510	0.3
124.02405	0.2
155.10835	0.2
161.04543	0.6
165.12836	0.3
167.10785	0.5
167.14371	0.9
171.10321	0.2
179.05640	0.4
181.12331	0.3
183.13878	6.1
193.12312	1.6
197.11818	0.2
199.13371	0.9
201.11191	0.2
211.13373	100.0
212.13725	3.7
220.08493	0.2
223.13376	0.5
225.11249	0.3
235.08258	1.2
253.09267	4.3
384.92102	0.2
387.14944	0.2
387.25302	0.9
405.26425	0.3
429.21252	0.7
447.22238	5.9
448.22421	0.2
455.91821	0.2
528.17816	0.2
623.34204	1.6
641.36328	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.4
59.01377	13.4
59.30502	0.4
60.05464	0.4
61.98841	1.1
69.03448	0.8
71.01387	2.4
71.53950	0.6
72.99324	1.1
73.02937	1.5
75.00868	4.7
78.42195	0.4
83.05029	0.5
85.02952	3.1
89.02441	1.0
92.15300	0.4
95.01377	0.9
96.96007	0.8
99.00915	0.9
99.04534	0.7
101.02444	0.9
108.02168	48.3
109.02966	12.8
109.03704	0.6
113.02451	1.4
119.04988	0.4
121.02933	0.8
123.00915	1.1
123.04513	0.5
125.02452	0.7
135.04521	0.9
137.09749	2.0
149.02466	0.8
151.03960	1.5
152.01144	94.9
153.01913	6.0
161.09605	0.6
163.04015	2.7
165.05573	0.5
177.01936	0.5
178.81377	0.4
179.03510	0.8
179.10736	1.1
181.08693	2.3
197.11873	2.9
207.02936	0.5
223.06001	0.5
223.09726	0.5
241.07178	2.3
241.10820	1.0
267.04959	0.6
285.06161	1.6
375.22244	0.4
399.09290	15.0
400.09579	0.5
417.10382	10.3
418.10822	0.5
537.32520	1.3
549.21356	1.0
550.21204	0.5
567.91559	0.6
577.40198	0.5
579.20819	0.9
581.18359	0.7
597.21692	3.5
598.21643	0.6
640.34943	0.7
641.20795	100.0
642.21069	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	640.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90435	0.1
59.01377	0.4
61.98827	100.0
69.88489	0.6
71.01368	0.3
77.70389	0.1
85.02971	0.1
96.96039	0.3
101.02532	0.1
115.71571	0.1
116.92867	0.4
121.88726	0.1
154.79913	0.1
183.13988	0.2
209.11911	0.2
211.13367	3.5
292.40268	0.2
389.91333	0.2
447.22537	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06005	1.3
53.73651	1.5
57.03447	9.5
59.01386	11.6
62.46607	1.5
64.28012	1.3
65.00311	1.7
69.49158	3.5
69.49589	7.5
71.01376	13.4
72.99312	4.8
74.02474	1.8
75.00869	19.8
83.01383	4.4
85.02947	12.0
87.00900	3.1
89.02461	5.8
93.03474	8.8
96.96006	1.7
99.00890	7.5
101.02449	2.7
107.01403	3.0
109.02936	3.2
111.00867	2.7
113.02428	2.4
119.05022	62.8
123.04514	2.3
125.02440	60.2
126.02789	2.2
129.01936	13.4
137.02432	13.6
145.03000	2.4
149.02390	3.1
150.03146	1.7
151.00336	9.4
151.03992	5.0
152.01143	3.1
153.01907	8.7
159.02968	5.6
163.00401	2.5
163.04002	98.1
164.04391	3.3
174.03214	2.7
175.03975	14.2
177.01930	16.9
177.04018	13.7
178.99846	8.4
179.03506	1.7
181.01448	1.9
188.04701	2.2
189.05620	3.6
195.05093	85.2
196.05437	2.2
199.03978	7.7
201.01987	2.8
211.42094	1.4
217.05060	8.2
231.06667	1.6
241.05069	5.9
259.06226	2.1
261.08783	1.7
275.05603	3.6
285.04041	48.5
299.07773	2.6
303.05075	33.1
337.07455	2.6
341.08746	100.0
342.09198	3.9
371.88208	1.7
476.59845	1.7
479.12186	2.2
623.12463	1.7
641.13745	62.4
641.24652	8.1
642.14166	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	640.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.8
59.01376	0.6
61.98826	100.0
62.98503	0.2
68.68496	0.1
69.40391	0.5
69.40816	0.4
71.01393	0.5
73.02944	0.1
74.02463	0.3
75.00869	0.2
78.64775	0.1
85.02962	0.2
89.02435	0.2
97.02961	0.2
97.50437	0.1
98.19928	0.3
99.04514	1.7
99.05091	0.2
101.02427	1.0
108.02174	0.5
109.02971	0.1
113.02427	0.2
116.05093	0.2
117.03458	2.1
118.63216	0.1
119.05022	3.0
125.02437	1.7
143.03485	0.2
145.02943	12.7
146.03314	0.4
152.01143	1.0
163.04012	2.9
187.03951	0.3
217.47986	0.1
235.13528	0.1
307.08307	0.6
329.06744	0.4
349.09280	0.4
374.14883	0.3
399.09357	0.1
418.34338	0.2
431.11902	1.8
433.11374	5.2
434.11746	0.4
475.12372	6.0
476.13058	0.6
479.21750	0.1
515.15540	3.4
516.15906	0.3
531.07874	0.2
577.15533	1.7
580.25201	0.3
596.22186	0.2
641.20514	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
59.92509	0.1
61.98826	100.0
70.19722	0.1
71.01369	0.3
71.53406	0.2
73.02962	0.1
80.09203	0.1
82.57589	0.1
85.02948	0.2
89.02450	0.2
97.81115	0.1
101.02480	0.2
113.02532	0.1
129.78293	0.1
145.25441	0.1
209.11911	0.2
210.41472	0.1
268.03705	0.2
269.04248	0.2
270.04367	0.2
283.06128	0.7
284.06439	0.6
285.06781	0.4
336.28833	0.1
460.28159	0.2
511.17056	0.1
627.03406	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	640.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.6
61.98828	100.0
63.02381	0.3
65.00339	0.2
66.45825	0.2
69.29677	0.1
69.48648	1.0
69.49065	0.4
71.01387	0.5
75.00877	0.5
85.02954	0.2
93.78901	0.2
107.01402	0.5
117.03487	0.7
159.04544	0.4
169.06557	0.2
201.05559	0.2
209.06279	0.2
218.22713	0.2
225.05602	0.3
227.03331	0.2
268.03696	1.2
269.04532	51.8
270.04892	3.0
290.03268	0.2
291.44864	0.2
372.50684	0.2
412.09018	0.2
529.30591	0.2
536.43335	0.2
537.93146	0.2
541.67126	0.2
560.48438	0.2
577.15643	12.7
578.16046	1.8
641.37610	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57473	0.5
55.01878	1.0
57.03437	2.1
58.00563	0.7
59.01377	17.8
61.36382	0.6
61.98831	14.1
65.03963	1.6
71.01380	18.5
71.52120	0.6
71.53957	0.7
72.99302	1.2
73.02942	4.7
78.95909	4.9
81.03447	1.3
83.01386	2.7
83.05020	4.7
85.02952	5.1
85.06594	1.2
86.00080	0.7
86.14244	0.6
87.00865	7.9
88.98795	0.7
89.02448	8.9
93.03438	0.9
95.01379	1.1
95.05048	0.9
96.96952	0.7
97.02997	1.1
97.06587	3.1
99.00880	1.3
101.02449	12.5
105.07123	0.8
109.02932	0.8
109.06580	2.3
111.04517	0.9
111.08162	4.9
113.02440	7.5
114.39095	0.6
119.03500	3.0
119.05012	1.7
121.02986	0.7
123.08171	1.7
125.02470	0.8
125.09716	12.6
127.11270	0.9
135.08138	1.8
137.09749	1.5
137.54396	0.6
143.03458	0.7
145.05013	3.0
152.99608	4.2
155.10934	0.8
161.04585	3.8
161.05748	0.6
163.11238	1.8
171.10262	45.9
172.10666	1.4
179.05588	1.0
181.12224	0.6
183.13963	1.2
185.11836	1.9
187.09761	0.8
187.14850	1.3
189.16440	1.0
193.12352	0.9
200.07295	0.7
201.12872	1.3
203.14427	0.8
205.15958	4.4
207.13855	1.6
209.09921	1.2
209.11830	18.8
211.11668	0.7
211.13373	19.1
212.13773	1.0
213.14888	1.0
215.14383	9.9
221.15450	2.5
231.13863	5.1
233.15445	35.8
234.15884	1.3
235.08205	7.9
235.13348	1.4
239.16508	0.8
247.13319	0.7
247.16905	0.9
249.14929	22.9
250.15286	1.2
251.16522	2.0
253.09254	5.1
259.17151	0.7
291.16202	0.7
309.20593	0.9
313.25522	0.9
323.23630	0.9
331.26340	3.2
341.24719	3.8
352.00357	0.7
357.24438	1.6
359.25903	2.1
363.12158	1.0
367.22803	4.7
375.25449	4.8
379.15134	0.7
385.23810	24.7
386.24100	1.7
393.26657	1.4
403.24857	35.4
404.25104	3.4
407.19293	1.3
421.25922	10.1
422.26468	1.0
447.22269	0.9
459.27570	0.9
467.22714	0.8
477.28540	1.0
485.23965	2.8
495.29916	0.8
575.26093	2.1
593.32990	0.7
607.28845	2.4
611.34247	2.9
621.32751	100.0
622.22882	0.8
622.33118	13.8
627.20905	0.7
639.33826	52.8
640.34332	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	639.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
55.52750	0.4
57.03449	3.3
59.01378	18.0
61.98820	0.9
67.01897	1.1
68.99818	1.5
69.03456	2.1
71.01378	19.8
72.99306	5.6
73.02945	2.0
75.00870	21.7
81.03432	0.7
83.01392	1.9
85.02946	22.0
87.00864	8.1
89.02440	6.9
91.04025	0.6
93.03468	1.0
95.01382	5.4
97.06593	0.6
99.00877	28.3
100.01249	0.4
101.02445	2.0
103.00374	1.6
104.12537	0.5
109.02946	1.4
111.00888	2.5
111.08163	3.0
112.01622	0.6
113.02448	25.7
115.00379	1.8
117.01219	0.4
117.01920	2.9
117.06352	0.4
129.01897	2.1
131.03535	1.2
139.00368	0.9
141.01881	0.5
153.01976	1.2
157.01413	3.7
165.12840	34.9
166.13216	1.4
175.02489	2.7
181.12379	0.6
183.13892	69.0
184.14241	2.2
191.10748	0.9
199.02461	0.5
205.07147	1.1
207.05017	0.6
209.11818	3.7
220.82756	0.4
223.08307	0.8
227.12863	9.8
228.13277	0.4
231.05052	1.2
249.06126	17.2
267.07196	25.6
268.07568	0.6
301.16489	2.5
331.08286	0.7
415.14487	0.8
415.19754	8.8
416.20105	0.6
442.80359	0.4
459.18698	35.6
460.19156	2.0
470.54999	0.4
477.19733	100.0
478.20102	7.7
484.05994	0.5
501.19931	0.8
519.20905	5.6
520.21368	0.8
527.64941	0.5
535.31104	0.6
579.22937	1.3
639.24945	52.9
640.25195	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	639.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49028	0.5
55.01864	0.9
57.03454	6.7
59.01377	21.4
61.98829	20.5
68.99813	0.5
69.45893	2.5
69.46323	1.3
71.01382	16.5
71.93121	0.5
72.99304	3.3
73.02937	3.1
75.00871	19.3
78.95870	0.6
83.01371	2.0
85.02946	21.2
87.00871	7.4
87.04512	20.8
89.01608	0.5
89.02454	3.1
91.63963	0.5
95.01367	2.2
97.02984	0.6
98.20678	0.8
99.00872	6.4
99.04506	5.7
101.02445	3.8
103.00330	0.9
109.02941	3.1
111.00840	0.6
113.02441	19.4
114.02708	0.6
115.00376	1.6
116.92847	1.1
117.01938	1.1
121.02909	1.1
123.04524	0.5
125.02451	6.8
129.01961	0.8
135.04529	5.0
137.02449	0.6
143.03532	0.6
147.04565	0.9
149.06100	1.5
157.01399	0.8
161.04517	0.9
175.02487	2.4
245.93219	0.6
268.03766	0.9
270.04172	0.7
271.09738	26.0
283.06027	1.8
284.06384	0.9
433.14377	0.7
459.27722	1.1
577.18622	2.4
595.26025	100.0
596.26459	10.7
639.33624	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54261	0.6
55.01883	0.7
57.03434	2.2
59.01381	15.8
67.01882	1.4
68.99811	1.4
69.03443	1.4
70.53474	2.2
70.59337	0.7
71.01013	1.0
71.01383	15.2
72.99311	5.5
73.02940	1.1
75.00874	14.3
83.01363	1.3
85.02950	15.3
87.00873	5.9
89.02438	3.1
93.03453	2.1
95.01384	4.1
99.00877	8.8
101.02438	1.5
103.00337	0.9
105.03445	1.0
109.02927	1.7
111.00870	1.2
113.01720	1.3
113.02452	16.8
113.03250	0.9
115.00350	2.3
117.01933	2.4
117.03458	1.0
121.02935	3.1
122.03751	4.8
123.04511	2.2
129.01924	1.7
132.02174	0.9
133.02956	3.2
133.89316	0.6
134.03740	25.2
135.04491	2.7
137.02429	1.9
147.04442	0.8
148.05318	1.2
149.02443	7.6
149.06081	5.9
150.03226	33.9
151.04018	6.7
160.01646	5.5
161.02409	2.3
162.27640	0.8
164.04759	1.6
165.04161	1.6
165.05556	31.3
166.05849	1.4
175.02417	2.0
175.03983	6.0
177.01912	1.4
178.02725	5.6
179.03436	1.9
179.07036	1.1
180.04208	3.4
181.05049	6.0
183.58075	0.7
189.04013	0.8
193.05037	22.4
194.05373	1.1
195.06583	5.7
199.40446	0.7
211.13347	2.7
231.05081	1.6
241.14375	1.3
249.06155	21.5
253.07011	1.1
253.09305	0.7
267.06732	5.0
282.08957	0.9
327.08594	0.7
333.91599	0.7
335.08340	0.6
341.10291	1.4
381.11856	2.3
387.14197	0.9
399.12939	0.8
425.10776	2.3
435.16061	0.7
439.12451	0.9
442.11108	8.5
443.11911	9.3
447.22314	1.1
457.13354	2.6
477.23035	1.6
621.17853	1.9
639.19232	100.0
640.19537	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	639.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.1
58.00573	1.2
59.01378	13.4
59.63746	0.8
67.01865	0.8
67.51588	0.8
68.00938	0.8
68.99796	1.8
69.03428	1.0
69.84955	2.4
69.85368	2.0
71.01381	12.2
72.99303	5.2
73.02938	1.5
75.00534	0.9
75.00880	11.5
85.02959	14.5
87.00884	4.4
89.02451	3.1
93.03455	1.9
95.01382	3.3
99.00887	7.6
103.00365	1.2
105.36263	0.8
113.02433	13.4
115.00387	1.3
117.01998	1.8
117.03486	0.8
121.02918	4.6
122.03738	3.0
123.04485	3.5
129.01955	2.0
133.02927	3.9
134.03746	28.0
135.04472	3.2
137.02402	1.4
148.05325	1.2
149.02461	8.2
149.06070	5.0
150.03220	22.9
151.04024	7.9
160.01668	4.5
161.02461	2.5
164.04802	2.5
165.05569	20.9
175.02452	2.2
175.04007	5.2
178.02711	4.0
179.03491	1.1
179.06960	1.1
180.04208	2.0
181.05029	5.5
193.05038	17.2
195.06601	4.4
211.13359	3.7
231.05048	1.7
239.07143	1.3
241.14462	2.7
249.06134	20.3
250.06371	2.7
252.06154	1.1
267.07153	3.5
282.08884	2.7
298.67340	1.1
341.10211	3.1
381.11569	2.1
425.11060	2.4
442.11130	5.5
443.11896	5.5
447.22046	1.8
457.13361	2.2
468.43646	1.1
477.23245	3.2
607.16626	1.1
621.18414	3.8
639.19263	100.0
640.19696	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	639.1564
Annotation	Patuletin 3-O-rutinoside
Peak:m/z	Relative Intensity
57.03430	3.7
59.01376	6.9
60.52294	0.9
63.02394	1.4
65.00322	6.2
66.43618	0.9
71.53275	1.0
75.00867	3.1
77.24090	1.1
77.57465	0.8
82.18967	0.8
83.01385	4.3
85.02931	2.4
87.00880	2.4
88.29109	1.0
96.76509	1.2
99.04511	2.6
99.54014	0.9
101.02427	2.1
107.01402	7.0
108.02190	1.6
113.02436	1.7
113.23055	1.0
113.24517	1.0
119.05027	1.6
125.02400	3.3
134.03735	9.9
136.01674	2.2
149.06104	7.0
149.99573	1.1
151.00368	30.4
152.00873	1.1
155.71309	1.0
163.00398	1.8
163.03975	2.8
164.01138	3.4
165.01872	1.9
168.00684	1.7
169.01392	1.5
175.04027	1.9
177.01933	2.5
178.99834	2.4
179.05553	2.2
196.00040	2.2
198.29002	1.0
199.03955	1.1
201.01985	1.4
203.03410	4.2
214.06526	1.0
215.03473	2.9
231.02966	3.1
242.01970	1.1
243.02974	6.7
246.90860	1.1
259.02393	10.6
270.01587	2.3
271.02484	13.9
284.03290	3.5
285.03610	3.9
286.01068	1.1
286.04016	2.8
287.01947	18.0
288.02261	1.5
299.05521	4.6
300.05777	3.2
301.07144	63.3
302.07419	3.5
315.01462	41.5
316.02045	11.7
325.09274	2.9
327.08789	2.7
330.03787	43.8
331.04477	23.9
332.04956	1.4
337.07867	1.4
342.10980	2.4
375.30341	1.1
375.35391	1.2
391.17682	1.3
535.31287	2.0
555.94824	1.3
639.15546	100.0
640.15863	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	639.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10575	0.9
53.76915	0.9
55.01896	0.9
56.47877	0.9
57.03428	2.8
57.42766	0.9
59.01376	17.5
65.67133	1.1
67.01868	1.9
68.99806	2.7
69.03450	1.9
71.01380	18.6
71.52563	1.6
71.52910	1.2
72.99309	5.4
73.02935	3.7
75.00475	1.2
75.00870	17.0
75.02389	0.9
75.23381	1.1
78.68989	0.9
81.03436	1.4
83.01377	1.3
84.49551	0.9
85.02948	17.6
87.00880	7.6
89.02438	4.8
93.03452	4.9
95.01363	3.5
96.95966	1.3
99.00874	9.8
101.02440	2.2
103.00376	1.1
109.02942	2.0
111.00883	2.8
111.04509	2.0
113.02447	17.1
115.00356	2.9
117.03387	1.1
119.05028	3.9
121.02932	3.4
122.03709	2.7
123.04512	2.4
124.66303	0.9
125.02409	2.1
129.01895	1.9
130.00151	1.0
133.02927	4.8
134.02739	2.1
134.03734	36.4
135.04526	4.9
137.02435	4.6
145.02936	1.3
149.02414	6.9
149.04518	4.3
149.06064	5.4
150.03223	18.6
151.00421	1.1
151.03979	7.4
155.03458	2.2
160.01631	4.2
161.02428	1.2
163.04022	5.9
164.04736	1.9
165.05566	15.9
175.02446	3.4
175.03989	7.1
177.01913	1.1
177.05414	1.0
178.02686	5.4
179.03328	1.7
179.07103	1.8
180.04285	1.1
181.05077	2.2
193.03375	1.5
193.05038	21.3
195.06558	4.1
197.11844	1.6
211.13358	3.6
231.05022	2.1
241.14424	1.7
249.06123	33.4
250.06287	1.6
254.09389	1.3
267.06995	3.9
277.69284	1.2
282.08972	2.8
297.11005	1.2
325.03363	1.4
327.08633	6.6
341.10342	5.8
372.04205	1.2
380.67429	1.0
381.11731	1.8
389.12372	1.9
442.11240	7.5
443.11990	5.5
447.22253	1.5
477.23264	2.3
491.17395	1.4
497.12793	1.7
535.30798	3.7
591.17041	1.9
603.17413	1.7
619.59595	1.1
621.18365	9.3
622.18365	1.9
639.19177	100.0
639.31659	3.5
640.19720	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	637.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95752	0.6
59.01371	2.4
59.22689	0.7
61.97869	0.7
61.98823	5.7
69.39922	0.8
71.52540	1.2
81.51521	0.8
109.10223	0.8
126.05827	0.8
161.45177	0.7
188.71071	0.8
198.85101	0.8
199.80159	0.7
200.25496	0.9
204.98207	0.8
386.95459	0.7
421.20297	1.7
433.16595	2.2
434.17590	1.2
447.18439	1.4
448.18732	1.4
460.14536	0.9
461.15625	1.0
462.20819	1.5
463.21286	1.5
475.17593	12.3
476.18167	2.6
477.19449	6.6
489.19183	2.8
491.20712	2.4
517.18359	0.9
521.21942	3.5
531.20282	5.8
535.19171	1.3
577.24573	17.0
578.24969	2.9
605.24054	3.5
608.26093	3.0
609.26569	2.1
622.14026	1.0
622.23871	0.8
637.26593	100.0
638.27063	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03738	0.7
52.36007	0.7
55.01894	0.8
57.03422	1.0
58.00573	0.8
58.54662	0.8
59.01378	25.3
60.01674	0.8
61.98822	4.8
65.34057	0.9
65.75696	0.7
68.99569	2.3
71.01379	66.2
72.99303	1.1
73.02940	3.0
74.73640	0.8
80.02726	0.8
81.03481	2.4
83.01387	1.7
83.05033	2.7
85.02951	3.5
87.00880	2.6
89.02449	7.2
95.05054	1.7
96.96002	1.9
97.02940	5.3
97.06609	1.6
98.20683	1.6
99.00890	3.2
101.02432	11.6
107.05028	1.9
109.06590	31.1
109.36642	0.7
110.03735	1.2
110.06935	1.2
112.98540	3.9
113.02427	4.3
119.03500	2.4
119.04965	1.0
121.02984	1.7
121.06580	2.3
125.02444	0.9
125.09702	1.6
125.60841	0.7
135.08170	3.1
136.05328	1.4
142.02704	2.3
143.03506	1.0
145.02911	5.1
146.57825	0.8
155.62646	0.8
161.04543	3.3
161.09715	1.9
163.11281	16.9
171.10275	9.3
179.05598	1.2
181.12300	6.5
185.11792	2.2
185.71721	0.8
189.09169	2.5
197.11774	0.7
199.09717	2.7
199.13414	1.5
201.11360	4.8
207.10245	100.0
208.10524	4.1
209.04623	1.7
209.11810	3.4
225.11299	54.6
226.11655	2.5
243.12329	3.1
253.09245	26.7
254.09578	1.4
269.04440	3.0
299.14944	2.2
329.06757	1.4
383.22070	2.0
401.23166	2.5
419.24243	1.0
433.26025	2.2
435.17862	1.1
461.20270	24.5
462.21042	6.5
479.21121	1.1
609.24274	0.8
619.31207	2.8
637.31921	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	637.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.2
61.98813	1.0
69.20905	1.7
69.21335	1.1
98.19858	0.7
108.08175	0.4
145.84200	0.3
225.13943	0.6
238.67007	0.4
416.16568	0.4
421.20331	1.4
435.22049	1.1
447.22488	0.5
448.22736	0.6
460.18875	1.2
461.16110	1.3
462.16455	0.4
474.20782	0.5
475.17587	15.3
476.18103	3.0
477.19272	7.6
478.19662	0.6
489.19208	2.1
490.19995	0.7
491.20789	4.2
492.21341	0.7
503.21484	0.4
507.23950	0.9
514.20038	0.5
516.17987	0.5
517.18616	0.8
518.19800	0.6
519.24182	0.5
529.22253	0.6
531.20239	4.5
532.20911	0.7
535.19702	0.8
537.47382	0.4
561.25232	0.4
577.24475	20.9
578.24823	3.7
593.27496	0.4
605.23926	2.3
606.24194	0.4
637.26611	100.0
638.26923	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	637.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01332	1.0
61.98796	0.5
63.02379	0.2
69.00114	0.2
71.01341	0.4
75.00873	0.3
119.08082	0.2
131.60883	0.2
145.08467	0.2
151.00273	0.5
196.00679	0.2
209.11784	0.3
239.03407	0.7
240.04143	0.8
267.02921	0.4
268.03735	49.2
269.04056	2.5
273.15259	0.3
280.12943	0.2
283.06094	100.0
284.04092	0.2
284.06448	5.8
357.44186	0.2
463.84991	0.2
646.80469	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.3
58.22652	0.2
58.44565	0.2
59.01380	3.7
61.58054	0.2
61.98825	1.9
64.74226	0.2
66.29160	0.3
66.65556	0.2
71.01396	2.0
71.47892	0.3
73.02917	0.7
75.00855	0.5
83.01367	0.6
85.02940	0.6
87.00870	0.4
88.98778	0.7
89.02433	0.9
96.95980	1.0
97.06560	0.3
99.00842	0.5
101.02441	1.4
101.15758	0.2
105.11059	0.2
113.02427	0.9
116.92831	0.8
119.03524	0.3
119.04967	0.3
121.02940	0.3
125.02492	0.5
143.03322	0.3
145.02934	0.3
148.36087	0.2
151.00340	0.5
160.04080	0.3
165.93765	0.3
171.10239	0.3
179.05664	0.3
179.98578	0.3
193.12294	0.5
197.66745	0.2
211.03854	0.3
225.15007	0.9
239.03378	0.7
240.04204	1.1
243.15970	0.4
253.09280	2.0
267.02899	0.5
268.03741	58.5
269.04083	3.2
271.09662	0.4
283.06094	100.0
284.03284	0.9
284.06375	5.3
299.05582	1.1
300.06265	0.3
329.06683	0.5
341.23300	5.4
354.86316	0.3
457.26044	0.3
577.32599	0.7
603.60669	0.3
637.32532	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11469	0.2
59.01371	0.7
61.98825	100.0
66.60381	0.2
70.70359	0.7
75.49618	0.2
78.95891	0.3
79.62895	0.2
90.66878	0.2
114.57569	0.2
152.99559	0.3
158.71111	0.2
161.83960	0.2
257.92343	0.3
311.23209	0.3
355.52234	0.2
555.15155	0.3
636.35938	0.3
650.56915	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64327	0.2
58.05948	0.1
59.01365	0.7
61.45071	0.2
62.52571	0.2
71.01365	0.3
73.02943	0.2
75.00854	0.2
85.02958	0.4
89.02429	0.6
96.96000	0.6
98.19928	0.4
99.00938	0.2
101.02428	0.2
113.02456	0.4
123.33485	0.2
149.04552	0.3
161.02402	0.2
161.86295	0.2
175.07654	0.2
198.03201	0.3
199.03938	0.2
202.02582	0.2
226.02660	0.7
227.03450	0.7
242.02182	0.6
243.02977	3.5
268.03647	0.4
269.04556	0.3
270.01682	1.4
271.02444	10.7
272.02844	0.7
279.16397	0.2
284.03271	0.6
285.03961	3.0
297.04129	0.4
299.01932	23.5
300.02454	2.1
312.02765	0.2
312.23306	0.2
313.03513	4.8
313.07248	0.2
314.04272	21.0
315.04810	2.0
323.47665	0.2
327.05099	0.2
328.02124	0.4
328.05814	0.6
329.06619	100.0
330.06955	7.3
343.04480	0.3
371.07758	0.3
409.97305	0.2
464.62134	0.2
593.28119	0.6
601.63995	0.2
637.17651	4.9
638.18213	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	36.5
61.98524	1.0
61.98819	7.2
69.32014	4.9
71.01383	0.5
72.99303	2.1
80.02679	0.6
81.03461	0.6
83.01359	0.6
83.05022	3.6
84.44702	0.5
86.02180	0.6
88.98803	2.4
95.05067	0.9
114.10621	0.6
125.09767	0.9
152.48497	0.6
152.99629	0.7
163.11278	2.4
165.12831	1.3
171.10271	7.2
191.10783	1.0
196.04842	0.6
209.11813	100.0
210.12161	4.2
211.13377	0.7
223.13371	0.7
227.12862	10.5
228.13118	0.8
247.13353	2.1
265.14529	1.2
282.97919	0.6
375.21408	0.8
452.21988	0.6
475.27090	2.4
493.27826	2.7
511.29242	1.3
553.48462	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.84002	0.3
71.52370	0.4
78.95914	1.7
85.39766	0.3
140.78958	0.3
149.04872	0.3
152.99654	0.8
171.10300	0.9
253.21742	0.4
255.23331	0.7
378.01605	0.3
399.14349	0.9
635.35754	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.7
60.99303	16.8
61.98815	1.5
71.01373	1.4
83.01392	0.5
87.00890	1.1
88.00404	2.6
88.73802	0.5
88.98804	100.0
89.02441	13.7
89.99111	0.5
111.25336	0.5
149.33365	0.5
149.66603	0.6
171.10201	0.6
197.11720	0.6
228.90536	0.5
230.85568	0.5
407.46085	0.6
603.30121	0.8
635.30170	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00407	1.3
54.41108	1.5
57.03439	5.8
59.01373	6.5
61.98779	1.6
65.11253	1.6
70.69124	2.8
71.01379	10.8
72.99321	2.0
74.02482	7.8
75.00871	25.7
85.02950	11.6
87.00876	3.9
89.02433	2.4
96.96015	2.7
96.96967	2.7
98.02473	1.9
99.00852	7.9
111.00880	1.7
111.68710	1.5
115.51304	1.4
116.03530	4.6
119.05021	72.6
125.02444	4.7
128.03586	1.6
129.01939	19.6
131.13867	1.7
132.04509	1.6
159.02972	6.9
163.04001	97.0
164.04353	4.3
165.01932	2.1
177.04059	15.0
179.03511	2.2
179.05602	4.2
191.01653	1.7
195.05092	89.2
196.05408	2.2
227.28625	1.6
261.08804	13.3
289.07123	4.7
305.06674	1.6
325.09183	1.5
341.08740	100.0
342.09055	5.7
596.30334	1.6
610.13965	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79475	0.7
57.03432	3.6
59.01374	4.9
64.85825	0.8
69.39410	6.4
70.02982	6.7
71.01369	1.7
72.04532	3.7
73.02929	1.0
74.02470	73.3
75.00865	5.9
81.03436	1.6
83.95429	0.8
84.04544	1.0
85.02935	1.3
87.00861	1.9
87.11953	0.7
91.47576	0.8
97.02963	1.1
98.02468	17.2
99.04498	3.8
101.02421	1.6
116.03527	41.6
119.05019	31.1
120.05405	1.0
125.02425	6.4
128.03511	6.2
129.01903	2.1
132.03549	1.3
132.04541	23.8
144.04523	6.1
154.94565	0.8
159.02960	1.1
161.04527	2.7
163.03996	57.2
164.04395	1.2
168.09323	0.8
173.07181	0.7
177.04041	1.7
179.05592	6.2
195.05093	13.2
201.06694	11.3
207.55894	0.7
217.09776	1.1
219.07736	4.6
243.07899	0.9
243.92618	0.9
261.08771	100.0
262.09048	4.6
289.07272	1.2
305.07401	0.9
325.09296	15.9
326.09415	0.9
341.08780	7.4
343.26849	0.8
344.11642	1.2
431.11804	2.9
595.16669	1.2
631.23706	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.382
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73382	0.7
59.01377	1.6
61.01706	0.7
61.98832	6.8
65.61610	0.6
66.77126	0.8
69.03458	2.4
71.05054	0.9
78.95902	13.9
110.98540	12.0
135.01070	0.7
139.84605	0.7
167.01114	5.5
167.10782	3.5
176.74315	0.8
179.10780	1.8
179.14392	3.3
195.13890	10.3
205.12346	8.7
206.12749	0.8
223.13391	100.0
224.13770	5.3
229.29640	0.8
255.23291	63.3
256.23599	4.2
373.14337	2.2
391.15164	1.4
392.15775	0.9
405.23849	0.9
423.25198	10.6
424.25568	1.2
629.38116	32.5
630.38733	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	627.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.4
59.01371	0.9
61.98833	1.8
70.17565	1.5
71.01376	1.9
72.99311	0.4
73.02942	0.5
78.91865	0.7
85.02953	1.7
95.01395	0.6
99.00858	0.5
101.02431	0.5
101.19328	0.3
108.02169	55.3
109.02965	11.3
111.08165	0.7
113.02455	0.7
121.02963	0.7
123.00883	0.8
129.01903	0.4
135.04494	0.9
135.67532	0.4
149.23022	0.4
151.04001	1.3
152.01143	100.0
153.01929	4.5
160.16600	0.4
163.04002	2.1
165.12819	3.4
175.04008	0.6
177.01837	0.5
179.03371	0.4
183.13885	17.2
209.11870	0.8
227.12865	3.7
241.07149	2.2
268.03653	1.0
283.06070	4.1
285.06143	1.7
294.96524	0.5
373.11438	1.1
399.09357	9.2
400.09723	0.6
417.10321	11.6
418.10913	0.7
561.38489	0.5
583.24072	2.2
609.21539	2.0
627.22882	96.8
628.23138	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	629.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
57.03430	0.6
58.00592	1.0
59.01378	34.2
59.06704	0.4
62.75303	0.4
67.05378	0.4
71.01382	18.7
71.51781	0.7
72.99308	1.6
73.12772	0.4
75.00829	0.6
83.01382	1.6
84.97556	0.4
85.02953	3.9
87.00842	0.5
89.02441	20.7
95.01369	1.6
96.96014	0.9
99.00851	0.6
99.04475	0.4
101.01797	0.9
101.02443	14.1
108.02182	0.9
108.68257	0.5
109.02948	1.2
111.04504	0.5
113.01717	0.7
113.02447	8.7
119.03506	9.5
119.04916	0.5
123.00851	0.5
123.95562	0.4
125.02446	5.2
131.03522	0.7
137.02415	1.8
139.03995	0.7
143.03499	1.1
143.07091	1.1
149.04591	0.6
152.01146	1.0
153.01955	0.6
161.04482	0.9
161.08325	0.5
163.04050	0.7
165.01880	0.9
167.03456	1.2
179.03514	1.2
179.05591	1.4
179.53236	0.4
203.03520	0.5
219.06551	1.0
285.06137	1.7
305.06622	7.7
312.54523	0.5
323.13455	100.0
324.13885	5.3
329.08737	0.4
613.77661	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	77.0
60.36927	0.9
61.98823	7.6
69.67928	1.1
69.68211	5.9
71.01376	11.5
72.99309	1.4
73.02943	12.1
74.68704	1.0
75.00876	3.9
83.01382	4.4
85.02949	3.5
88.98809	2.8
89.02451	3.4
93.03455	3.2
95.01371	2.5
97.02990	1.3
98.20654	1.2
101.02440	12.3
108.33112	1.0
113.02441	5.8
118.13268	0.9
121.02952	3.8
122.03714	5.6
129.01930	1.1
130.28558	1.0
133.02951	1.4
136.01659	1.2
137.02449	2.0
149.02435	28.7
149.04398	1.5
150.03217	59.1
151.03815	1.9
152.01157	1.2
152.39264	1.1
161.02463	6.6
161.04549	4.0
164.04788	8.8
165.05565	84.3
166.05956	2.6
175.07536	1.6
176.04773	4.3
178.06532	1.1
179.03485	12.4
180.04266	4.6
191.07115	2.3
194.05830	12.5
195.06610	100.0
196.06967	4.4
209.08182	43.0
210.08585	1.2
267.96783	1.0
342.11014	5.7
357.13397	45.1
358.13657	4.0
405.15503	39.0
406.15860	2.6
529.78992	1.4
627.22986	4.7
627.36108	7.6
632.36890	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2094
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
56.13748	0.2
69.49926	1.6
73.02941	1.2
75.58023	0.3
90.03120	0.3
98.19925	0.6
142.07022	0.3
173.41829	0.3
201.65916	0.3
208.83456	0.3
256.26166	0.3
265.76047	0.3
325.04898	0.3
396.84067	0.3
423.15045	0.3
437.12405	0.6
438.13403	1.6
451.13849	1.4
452.14847	3.1
453.14749	0.5
465.16077	1.0
466.16711	0.4
469.11337	0.4
479.17276	0.9
480.14154	0.7
481.15030	7.8
482.15482	0.9
484.13712	0.5
493.15451	1.6
494.15851	1.2
495.16724	15.4
496.17047	2.7
507.16821	1.2
508.17126	2.3
509.18100	1.2
512.13092	1.4
519.16803	0.4
521.14508	0.8
522.15070	0.5
523.16449	1.2
526.14594	0.6
533.18237	0.8
535.15845	1.7
536.16827	2.9
537.17291	0.4
539.15320	0.7
540.16974	2.9
541.16010	0.4
551.19354	35.0
552.19714	7.1
553.16882	0.5
554.17639	1.2
555.18683	1.1
567.18628	0.7
568.16321	0.8
572.15686	2.9
573.15649	0.5
583.22437	0.5
586.17090	1.9
587.17297	0.3
595.18280	7.9
596.18372	0.9
619.87262	0.3
627.20874	100.0
628.21167	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
57.03445	0.4
58.00586	0.7
58.01245	0.3
58.33250	0.3
59.01377	15.4
62.73240	0.3
69.03433	1.0
71.01378	11.4
71.30183	0.4
72.99296	1.0
73.02944	1.7
75.00864	0.6
76.83192	0.3
80.02674	1.3
81.03436	1.9
83.01385	1.5
83.05019	5.6
84.01717	0.3
84.02150	1.7
84.05354	0.3
84.35913	0.3
85.02956	2.5
87.00881	2.4
89.02440	12.6
93.03428	0.5
95.01385	0.9
95.05028	0.6
97.02959	2.1
99.00878	0.7
100.50170	0.3
101.02441	10.5
108.02166	0.4
111.00929	0.3
111.04520	0.4
113.02444	4.8
115.03979	0.5
119.03496	4.0
123.00894	0.3
125.02450	4.2
125.06082	0.8
131.03542	0.4
135.08211	0.6
139.03978	0.5
143.03474	1.9
149.02521	0.3
149.04576	0.4
150.03249	0.5
161.04570	2.6
163.11292	4.5
165.12828	2.6
179.05600	2.7
180.65845	0.3
181.12282	0.6
191.10736	1.3
199.06181	0.3
209.11810	100.0
210.12143	3.7
213.14699	0.3
221.06647	0.9
227.12875	19.6
228.13222	1.1
235.08211	4.6
253.09232	0.9
263.07840	0.5
287.07718	1.2
300.02661	0.4
305.08743	1.5
323.09741	0.6
325.16910	0.3
397.13480	31.8
398.13818	1.6
415.14545	17.7
416.15009	1.2
502.48523	0.3
607.26208	0.3
625.15948	0.6
625.28113	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74497	0.4
54.35778	0.5
55.01862	0.5
57.03439	0.8
58.02962	1.9
59.01379	19.5
61.98827	1.2
69.03460	0.9
70.02965	1.3
71.01058	0.7
71.01385	14.6
72.99302	1.3
73.02945	2.5
74.02473	9.9
75.00857	1.7
80.02665	1.1
81.03450	1.8
83.01386	1.5
83.05013	5.6
84.02160	1.1
85.02945	4.3
87.00875	2.9
89.02439	14.1
95.01385	1.4
95.05000	0.8
97.02933	2.4
98.02468	2.1
99.00870	1.4
101.02438	13.2
108.51031	0.5
109.02960	1.0
111.04435	0.5
113.02436	6.1
115.60811	0.5
116.03545	2.7
116.05045	2.3
118.85920	0.5
119.03482	4.6
120.90402	0.4
121.02917	0.7
124.01614	0.7
125.02448	5.2
125.06110	0.7
135.08115	0.9
137.02444	2.5
138.03166	0.5
138.33818	0.5
139.04015	1.6
142.06674	0.5
143.03491	2.2
146.53929	0.5
149.02437	1.0
149.04536	0.7
150.03212	0.8
151.00333	1.5
151.04002	0.7
152.01193	0.5
159.09306	0.9
161.04549	3.2
163.11295	4.9
165.04091	0.8
165.05513	1.1
165.12769	2.3
167.03436	0.6
179.05576	3.5
181.04968	1.1
191.10773	1.7
195.06589	1.4
199.13380	1.1
203.08240	10.0
209.11812	100.0
210.12163	4.5
221.06543	0.8
227.12859	24.0
228.13179	1.0
235.08208	4.7
245.09288	26.6
246.09610	1.4
253.09186	1.3
275.74863	0.5
281.92529	0.5
285.04071	0.8
286.04276	0.6
287.04727	0.9
287.07816	1.3
300.02713	0.7
301.03415	0.6
301.10800	0.9
305.08664	1.0
315.04993	1.3
316.05420	1.3
317.05481	1.1
323.09879	0.9
343.11560	0.6
391.13895	1.2
397.13464	32.4
398.13837	1.8
406.15973	1.3
415.14536	21.4
421.18619	8.9
539.27368	0.5
606.10596	0.5
625.12122	2.4
625.26190	2.7
626.12488	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62692	0.3
55.01863	0.4
56.42051	0.3
57.03430	0.8
58.00576	0.7
59.01378	17.6
69.03454	0.5
69.48787	0.7
69.49197	1.7
71.01377	12.9
72.27454	0.4
72.99303	0.5
73.02955	1.8
80.02663	1.3
81.03454	2.3
83.01386	1.5
83.05027	5.5
84.02169	1.5
85.02950	3.1
87.00869	2.8
89.02440	12.7
95.01395	0.8
95.05009	0.6
97.02958	2.2
99.00864	0.9
99.04556	0.7
101.02438	11.4
109.02943	0.5
109.06600	0.7
111.00839	0.4
113.02442	5.7
113.95279	0.4
119.03493	3.3
125.02428	3.9
125.06077	0.7
131.03481	0.5
135.08180	0.6
136.83228	0.4
143.03479	2.0
150.03226	0.7
152.01175	0.5
161.04544	2.4
163.11284	4.6
165.04295	0.4
165.12830	2.8
179.05608	3.2
181.12318	0.9
191.10738	1.2
195.15889	0.4
209.11809	100.0
210.12187	4.4
221.06595	1.0
227.12866	19.3
235.08211	4.5
253.09285	1.2
287.07785	1.3
305.08768	1.6
323.10107	0.4
342.62738	0.5
397.13474	34.0
398.13834	1.9
415.14560	19.1
416.14917	1.4
625.16736	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
57.03440	0.8
58.00584	0.7
59.01376	18.0
61.98826	1.8
69.03452	0.7
71.01378	13.4
72.99305	1.3
73.02946	3.0
75.00876	1.0
83.01367	1.7
85.02951	3.5
87.00874	2.1
88.98830	0.5
89.02438	10.5
91.03989	0.5
95.01372	0.9
97.02946	1.4
99.00864	1.1
101.02440	9.3
101.03107	0.5
102.41769	0.3
109.02934	0.6
111.08130	0.7
113.02441	4.9
118.81715	0.3
119.03486	2.2
125.02448	2.0
131.03490	0.5
133.05072	0.4
139.04147	0.3
143.03459	0.9
161.04558	1.7
163.03947	0.3
164.28224	0.3
165.12848	9.6
166.13280	0.5
167.03409	0.3
178.52600	0.4
179.05602	0.9
183.13885	66.4
184.14243	2.4
184.47292	0.3
209.11852	1.0
221.06638	1.0
227.12848	8.7
228.33598	0.3
235.08212	1.1
368.86780	0.3
397.13516	4.1
415.14459	2.6
521.33185	1.5
625.27063	100.0
626.27362	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	625.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86185	0.4
55.01876	0.9
57.03436	1.1
58.00593	1.0
59.01379	20.0
64.59635	0.4
71.01380	14.0
72.99310	0.6
73.02951	2.4
81.03436	0.6
83.01394	1.6
83.05003	0.5
85.02944	3.4
87.00877	3.0
89.02444	13.9
95.01389	0.7
97.02922	2.2
98.19859	0.9
99.00912	0.9
101.02437	9.5
113.02438	5.7
119.03491	2.7
125.02457	2.6
133.05031	0.5
143.03494	0.9
161.04549	1.6
165.12834	8.8
166.13206	0.6
179.05563	1.1
183.13892	69.6
184.14183	2.7
209.11794	1.1
221.06622	1.4
227.12863	8.3
228.13347	0.4
229.54190	0.5
235.08194	1.5
253.09155	0.8
261.01782	0.4
291.84421	0.4
397.13513	4.9
415.14545	3.2
521.33057	1.2
607.26276	0.9
625.27094	100.0
626.27386	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	625.2664
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.90807	0.6
59.01355	1.1
66.14870	0.7
67.39392	0.6
71.39796	0.6
71.53648	0.8
73.69877	0.6
74.19092	0.7
76.25643	0.6
86.03675	0.7
93.26721	0.6
99.66994	0.7
114.41891	0.7
171.10190	0.7
211.08673	1.0
213.10344	7.7
233.29210	0.8
237.10406	0.8
239.11871	1.2
299.13922	2.7
300.86664	0.7
308.74860	0.8
325.11938	0.8
342.12613	0.8
355.37128	0.7
385.14389	1.1
398.14893	0.9
405.13455	1.3
420.16660	1.3
432.12256	1.6
433.13199	3.5
434.13693	1.8
439.21262	1.3
447.14450	3.2
448.15427	9.7
449.15829	5.3
463.17767	17.1
464.18301	2.4
465.19650	0.9
466.19662	0.8
476.14743	1.3
477.19931	3.4
478.19934	2.3
479.20746	14.8
480.20721	1.2
491.17194	25.7
492.17725	2.4
505.18866	3.5
506.19733	5.7
507.20428	1.6
519.20483	1.3
520.20929	1.8
523.19641	2.4
538.13898	1.4
538.22150	27.4
539.22986	9.2
593.23956	6.3
625.26581	100.0
626.26990	13.1
626.36487	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	5.9
59.01379	8.9
65.00287	0.7
66.13969	0.6
70.02972	4.9
71.01385	3.2
72.00904	1.6
72.04552	0.7
74.02470	31.3
75.00832	0.7
85.02959	1.6
89.02440	2.7
98.02470	7.4
101.02454	1.6
107.01361	0.7
113.02448	2.1
116.03541	9.2
116.05057	11.7
119.03480	0.8
121.02943	0.9
125.02426	1.7
130.06607	1.3
137.02423	3.0
137.73019	0.7
139.04007	1.0
142.06622	3.5
149.02339	0.6
150.03281	1.4
151.00352	2.5
151.03984	1.2
155.63341	0.6
158.28854	0.6
159.09299	3.3
161.04620	1.0
163.00478	0.7
165.00267	0.6
165.04025	0.9
165.05550	1.2
181.05002	1.4
195.06596	2.7
196.20259	0.6
201.10234	3.1
203.08247	33.8
204.08586	1.3
209.11815	7.1
210.11960	0.8
219.24268	0.7
227.12860	2.3
241.08913	0.7
245.09282	100.0
246.09497	3.6
249.13304	0.9
285.04068	0.8
300.02725	1.4
301.03229	1.5
301.10818	1.1
302.03189	0.8
315.05103	2.4
316.05527	3.2
317.01715	1.1
317.05627	3.7
384.50995	0.8
391.13870	0.8
397.13431	2.6
398.22226	0.7
406.16214	1.0
411.84372	0.7
415.14377	2.1
421.18591	12.3
525.94604	0.7
625.12250	3.3
625.35309	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58422	0.6
57.03455	1.6
59.01370	1.3
65.00328	1.1
71.01383	2.0
71.52651	0.8
73.01014	0.5
75.00874	1.5
77.81020	0.5
83.01391	1.6
85.02955	1.6
87.00897	0.7
93.03462	0.7
95.01381	0.6
96.96023	1.8
101.02446	0.7
104.49837	0.6
107.01398	2.3
109.02943	2.1
111.00833	0.8
113.02457	1.1
119.05011	3.3
121.02962	2.3
123.04476	0.7
124.01659	0.7
125.01525	0.8
125.02441	14.9
125.03336	0.9
129.01947	0.7
132.04543	0.5
137.02396	0.9
143.04979	0.5
147.01012	0.6
148.01665	0.8
149.02429	1.5
151.00363	9.7
151.03922	0.7
152.01146	1.6
153.01942	0.9
161.02444	0.6
162.88350	0.6
163.00308	1.4
163.04024	5.8
167.03755	0.9
173.06082	1.2
175.00368	1.4
175.03960	0.7
177.05565	1.8
178.99834	1.9
187.04022	0.9
195.04962	0.7
199.03967	2.9
199.07683	0.5
201.01909	1.2
201.05565	1.9
209.11830	1.2
211.04109	0.5
215.03511	1.3
215.07141	1.0
226.02603	0.7
227.03516	2.9
229.05066	1.0
243.02974	4.3
243.06705	2.5
255.02913	2.6
259.06067	9.2
260.06241	0.8
269.04608	0.7
271.02448	56.6
272.02737	2.7
273.04037	4.6
287.02014	3.5
287.05548	20.0
288.05850	1.2
289.07166	1.4
299.01932	100.0
300.02600	16.0
301.03482	43.4
302.03937	1.7
313.03476	1.2
315.01419	6.8
315.04816	0.9
316.01855	0.7
317.03049	1.3
325.08972	1.0
337.07828	0.8
343.04541	1.7
394.87570	0.6
462.07996	23.9
463.08774	33.4
464.08908	2.4
478.07599	2.2
505.09613	1.2
535.92786	0.5
581.14697	1.7
625.14001	95.9
626.14349	10.1
626.24323	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13527	0.4
59.01366	1.3
61.28520	0.4
61.54390	0.5
63.02404	0.8
65.00327	0.6
71.01370	0.9
71.29871	1.0
75.00854	1.0
83.01351	0.8
85.02975	0.5
87.00873	0.5
99.00904	0.5
107.01389	1.9
109.02982	1.2
113.02412	0.6
119.05020	2.1
121.02974	1.2
122.48410	0.4
125.02425	1.2
137.02431	0.8
149.04529	1.6
151.00359	8.3
151.01498	0.4
163.00415	0.9
163.03993	4.0
164.01195	0.7
171.04559	0.6
172.09764	0.9
175.00429	1.0
175.04065	0.6
178.99828	1.5
187.03981	1.1
190.02682	0.5
190.99858	0.5
193.01303	0.7
199.04022	2.6
201.01788	0.9
201.05602	0.6
203.03549	0.9
205.05081	0.8
209.11821	1.1
211.03909	0.6
215.03444	1.9
226.02719	0.7
227.03424	2.6
229.05019	1.9
231.02965	0.6
242.01917	0.5
243.02936	4.4
254.02002	0.7
255.02945	3.5
271.02451	52.1
272.02823	2.7
273.04062	12.8
285.04083	0.7
297.03830	0.9
299.01929	100.0
300.02591	15.1
301.03494	44.1
302.03915	1.8
313.03540	1.4
315.05167	0.6
343.04486	0.9
397.13260	0.6
445.31216	0.5
462.07968	17.9
463.08759	29.5
464.08981	1.8
505.10120	0.9
553.04449	0.5
581.14819	3.3
608.57227	0.5
625.14026	85.3
626.14374	7.5
626.23529	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80914	0.1
58.92565	0.1
59.01373	0.5
61.98827	100.0
62.36034	0.1
67.30124	0.1
69.18820	0.6
69.19256	0.6
71.01390	0.3
74.05996	0.1
79.95740	0.1
84.26653	0.1
89.02441	0.2
94.28357	0.1
101.02454	0.2
109.06584	0.3
139.17960	0.1
156.52658	0.1
163.11296	0.2
170.05850	0.1
197.11838	0.4
207.10245	0.5
208.10623	0.3
209.11906	0.4
225.11351	0.5
226.11707	0.3
326.25110	0.1
624.26172	1.2
625.26117	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44448	2.4
54.20032	2.5
57.03436	2.5
59.01380	52.6
69.53897	14.4
69.54307	5.2
70.93233	2.9
71.01376	18.6
73.02944	21.7
83.01378	6.5
84.41138	2.3
85.02937	6.1
89.02426	7.1
93.03468	4.4
101.02429	25.1
107.01380	4.0
108.02165	3.0
110.57898	2.3
113.02430	9.3
119.03522	3.3
121.02927	4.5
122.03745	11.0
125.02452	4.1
149.02432	26.7
149.04417	3.1
150.03217	78.9
151.00388	22.2
151.03699	3.1
160.21237	2.3
161.04526	10.0
161.05948	2.7
164.04790	5.8
165.05566	86.9
179.07123	3.0
180.04247	5.9
195.04829	5.6
195.06604	71.6
221.06619	2.7
272.03201	2.8
285.03998	18.5
300.02716	42.1
312.10034	2.6
315.05078	100.0
316.05737	5.7
327.12381	18.1
389.15860	11.2
471.16501	3.7
517.49152	2.8
531.19275	4.4
579.20697	14.4
623.16400	25.3
626.28534	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	623.198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31931	0.3
56.42076	0.4
57.03416	0.4
59.01376	5.3
65.00328	2.3
66.32650	0.3
69.53664	0.8
69.54073	1.5
71.01348	1.4
73.02936	1.5
83.01377	1.6
85.02910	0.8
87.00838	0.3
87.24305	0.3
89.02412	0.5
95.01367	0.3
98.20528	0.7
101.02448	2.1
102.54037	0.3
107.00728	0.5
107.01382	5.6
113.02406	0.9
119.04974	0.4
121.02936	0.5
122.03733	0.7
125.02415	1.4
143.03523	0.3
148.01628	2.3
149.02428	3.0
149.04485	0.5
150.03217	5.1
151.00356	23.5
152.00731	0.6
158.71880	0.3
161.04527	0.8
162.03151	0.4
163.00423	0.5
164.04755	1.2
165.05582	4.6
173.32753	0.3
175.04034	0.4
177.01883	0.4
188.04689	0.4
190.02631	1.1
195.06592	3.1
199.04059	0.5
200.04698	0.5
202.02780	0.5
203.03391	0.8
213.01756	0.3
214.02672	0.9
215.03297	0.3
216.04152	0.8
221.06564	0.4
227.03418	0.7
228.04236	2.0
229.01381	0.6
230.02101	1.1
231.02951	0.4
232.03777	1.0
243.02956	0.9
244.03654	0.6
255.03075	0.6
256.03720	1.5
258.01758	0.4
271.02463	1.4
272.03204	1.3
283.02448	0.7
284.03094	0.4
285.03979	5.7
299.02060	0.9
299.05386	0.3
300.02713	46.2
301.03030	2.6
312.10049	0.7
313.03427	0.5
315.05075	100.0
316.05392	6.0
327.12302	4.3
328.12595	0.4
342.04089	0.5
357.06287	0.5
393.34692	0.4
471.16718	0.7
531.18469	0.8
579.20697	2.1
623.16150	18.0
624.16449	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19555	0.5
59.01374	5.8
65.00320	2.7
70.90667	0.5
71.01349	2.1
71.53407	0.5
73.02934	2.5
83.01357	1.6
101.02450	3.0
104.94862	0.5
107.01392	4.4
108.02119	0.6
108.63147	0.5
113.02402	1.8
119.05023	0.5
122.03682	2.1
125.02397	1.2
131.03500	0.4
137.02388	1.3
148.01616	1.8
149.02454	5.0
150.03221	12.0
151.00362	20.3
161.04504	1.4
162.03194	0.7
163.00377	0.5
164.04697	0.9
165.05576	11.2
169.74821	0.4
180.04201	0.7
186.36502	0.5
188.04681	0.7
189.01961	0.5
190.02670	1.4
195.06621	8.5
200.09834	0.5
203.15381	0.6
227.03334	0.7
228.04266	2.3
230.02196	1.2
231.02856	0.5
232.03770	1.0
243.02965	0.8
244.03716	0.6
256.03748	2.1
271.02451	1.3
272.03168	1.2
283.02396	0.8
285.04080	4.5
300.02719	42.6
301.03049	2.6
313.03445	0.7
315.05075	100.0
316.05383	4.7
327.12357	2.5
357.06134	1.1
389.15637	0.9
456.34525	0.5
579.20886	1.2
623.16156	17.7
623.25226	0.7
624.16730	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03402	0.3
59.01307	3.1
61.98776	0.4
65.00253	2.4
70.08241	0.3
71.01310	1.5
73.02876	0.8
83.01368	1.6
85.02904	0.5
89.02367	0.8
90.78698	0.3
93.03410	0.3
95.01343	0.5
99.00842	0.6
101.02357	1.0
107.01385	4.7
113.02372	0.7
121.11449	0.3
125.02427	1.5
133.02876	0.7
137.02350	0.8
145.02887	0.3
148.01649	1.7
149.02457	1.3
150.03204	2.2
151.00357	22.1
152.00836	0.5
161.02350	0.4
163.00327	0.4
163.03926	0.4
165.05560	1.4
169.01309	0.5
175.03909	0.6
177.01871	0.4
181.49954	0.3
188.04665	0.5
190.02614	1.1
190.06335	0.6
193.04948	0.4
195.06577	0.7
199.03909	0.6
200.04649	0.4
203.03368	0.5
204.04184	0.4
205.08652	0.4
208.07292	0.3
214.02650	1.1
216.00439	0.4
216.04198	0.5
227.03484	0.9
228.04308	2.4
229.01396	0.4
230.02109	0.8
232.03719	0.7
243.02859	1.0
244.03662	0.6
255.02986	0.5
256.03763	1.7
271.02551	1.5
271.05380	0.3
272.03217	1.5
283.02429	1.1
284.03195	0.6
285.04034	9.2
286.04327	0.7
299.01895	0.9
299.05130	0.5
300.02719	43.1
301.03113	2.6
312.09732	0.4
313.03366	0.7
314.04437	0.4
315.05078	100.0
316.05441	5.8
327.12344	0.7
357.06192	0.8
389.16068	2.6
430.05002	0.3
576.68066	0.3
623.16229	17.7
623.25714	0.7
624.16327	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00048	0.4
57.03457	0.5
59.01372	3.3
65.00323	1.7
71.01389	2.6
71.29970	0.7
83.01392	1.2
85.02952	1.2
87.00892	0.5
89.02444	1.1
95.01378	2.0
101.02443	1.2
107.01393	4.3
108.02180	0.9
109.02944	0.9
113.02435	1.3
123.00842	1.1
124.01661	1.5
125.02415	1.6
133.02937	1.5
135.04527	0.6
136.95621	0.4
139.63374	0.5
145.92015	0.4
147.00920	0.8
148.01668	5.3
149.02457	3.8
151.00356	18.3
152.01166	3.5
158.03629	0.4
161.02429	2.2
163.03958	1.0
175.03986	1.8
177.01906	1.6
183.04411	0.6
188.04774	0.7
189.05722	0.5
190.02690	1.1
199.03998	2.0
201.01970	0.6
203.03494	0.6
205.04990	1.2
208.07295	0.5
211.03923	0.5
212.04683	0.8
214.02783	1.2
215.03429	1.3
216.04172	1.0
225.11337	0.8
227.03517	2.4
228.04224	0.6
229.01399	0.7
229.05016	0.5
230.02026	0.5
231.03017	0.7
232.03798	2.0
243.02925	3.6
244.03647	0.7
247.06146	1.2
255.02956	1.3
256.03836	3.0
271.02478	7.2
272.03137	1.0
282.01685	1.2
283.02469	1.8
285.03891	2.3
299.01987	8.1
299.05344	0.9
300.02719	58.8
301.03329	7.8
313.03482	2.2
314.04324	1.2
315.05072	96.0
316.05392	5.1
329.02969	1.2
342.03793	1.3
357.06207	0.6
389.11542	0.5
389.15994	2.0
443.22833	4.7
463.08731	1.8
503.19769	0.5
608.13843	1.1
608.22943	0.5
623.16119	100.0
624.16406	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	623.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33533	0.2
51.53663	0.3
57.03447	0.4
59.01370	1.7
63.02412	0.4
65.00323	0.5
69.89520	0.6
69.89928	0.9
71.01384	1.1
73.02916	0.4
83.01394	0.6
85.02934	0.5
89.02427	0.6
93.03469	0.5
94.63913	0.3
98.20670	0.3
101.02423	0.6
107.01379	1.1
108.02172	0.4
109.02912	0.6
109.06567	1.1
113.02479	0.3
121.02863	0.3
125.02446	0.4
135.00888	0.5
137.02420	1.0
145.02957	0.7
147.00854	0.4
147.04509	0.5
148.01543	0.4
151.00346	5.0
155.04968	0.4
161.02412	0.6
163.00381	0.5
163.11307	0.5
164.01096	0.4
165.01947	0.4
175.04013	1.0
178.99867	0.4
179.07141	0.4
180.04364	0.3
182.03670	0.4
183.04535	1.3
187.03947	0.6
188.04750	0.4
189.05550	0.5
190.06317	1.5
191.07114	0.8
193.05034	0.3
194.05827	0.3
198.03102	0.3
199.03990	4.9
201.01900	0.3
203.03432	0.6
204.11519	0.3
205.08650	0.8
207.06651	0.5
207.10223	3.2
208.07410	1.0
211.03941	0.3
211.75574	0.3
215.03445	1.7
215.19829	0.3
218.40782	0.4
225.11261	2.8
226.02727	0.4
227.01328	0.5
227.03479	5.1
228.04248	0.5
242.02179	3.0
243.02959	21.4
244.03459	1.5
254.02174	0.6
254.66966	0.3
255.02934	11.3
256.03448	0.9
257.04547	3.5
259.06125	0.3
270.01706	2.9
271.02448	33.7
272.03036	3.0
284.03207	1.5
285.03992	7.2
286.04755	2.5
287.05569	1.2
299.01950	49.5
300.02664	20.1
301.03125	0.9
313.03464	0.5
314.04291	45.7
315.05035	35.9
315.08942	0.7
316.05429	1.6
329.02927	0.3
357.06201	0.8
389.16000	7.4
390.16284	0.5
397.13345	1.0
415.14337	0.6
623.16113	100.0
624.16431	10.4
624.25659	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2714
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
53.65366	0.3
61.98816	0.5
66.39104	0.2
72.01228	0.2
101.40511	0.2
132.51291	0.2
270.12592	0.3
318.19971	0.2
326.12994	0.3
372.93881	0.3
417.17239	0.4
430.14343	0.3
431.14960	0.8
445.16763	2.0
446.17441	2.0
447.17657	0.4
459.22067	3.3
460.18936	8.6
461.19766	23.0
462.20099	2.1
474.20554	0.7
475.21301	3.6
476.21472	0.4
505.19080	0.4
519.20337	12.5
520.20959	2.2
533.21936	1.1
535.22968	0.3
585.65472	0.3
606.24811	0.5
621.27142	100.0
622.27466	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	621.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55854	0.3
57.03440	0.4
57.80304	0.3
59.01377	10.0
59.05225	0.3
59.41278	0.3
69.35258	0.4
69.35580	3.1
71.01379	3.7
71.05003	0.6
73.02937	1.4
75.00883	0.4
79.94028	0.4
83.01401	0.6
85.02956	2.0
87.00880	0.5
89.02443	1.9
93.03512	0.4
95.01392	0.7
95.05038	0.5
96.95979	0.4
97.02948	0.4
99.00885	0.5
101.02438	2.9
108.02142	0.6
109.02959	1.5
111.00848	0.8
113.02449	1.8
115.03951	0.4
119.03499	0.9
121.02942	1.0
123.00883	2.3
123.04494	0.5
124.01603	0.5
125.02449	0.9
127.07618	0.9
136.01732	0.8
137.02435	8.5
137.03398	0.7
138.03302	0.4
139.00311	0.5
141.01965	0.4
141.09227	0.5
143.03467	0.6
147.04558	0.5
149.02435	1.2
151.00351	17.8
151.01593	0.8
151.03964	2.3
152.01083	1.4
152.04745	1.9
153.01930	0.6
153.05493	0.4
159.04466	0.4
160.05347	0.5
161.04631	0.8
163.03960	0.8
164.04813	0.7
165.01929	1.0
166.02698	56.9
167.03476	3.5
175.04015	1.4
175.07605	0.5
177.01927	2.7
178.02681	0.5
179.03560	0.6
179.05647	0.3
179.07167	0.8
181.05052	69.3
182.05376	1.9
184.03735	1.0
187.32869	0.4
189.05479	0.4
190.06322	1.0
191.03502	0.9
191.05505	0.4
192.04253	1.1
193.05025	1.4
196.09261	0.4
205.05026	1.0
205.08574	0.7
206.05780	0.4
207.06624	1.6
219.06584	0.6
220.07135	0.5
221.04468	0.5
357.13458	1.2
359.11322	1.2
371.15067	0.7
387.10834	13.8
388.11295	1.1
402.13104	6.3
403.13513	0.5
403.65967	0.4
417.15500	100.0
418.15842	8.7
499.29031	0.7
517.30212	4.7
518.30426	0.4
535.30994	1.4
577.32251	1.0
621.23846	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98000	0.4
55.51577	0.4
58.49174	0.4
61.98829	0.5
70.25491	1.3
78.70545	0.4
82.18897	0.4
82.86176	0.4
120.47018	0.4
130.39011	0.4
135.86929	0.4
151.18416	0.4
417.17126	0.5
431.15097	0.5
445.16656	1.8
446.17297	2.1
459.22284	3.7
460.18948	9.6
461.19751	27.7
462.19937	2.3
474.20422	1.5
475.21344	5.5
476.22040	0.9
519.12628	0.6
519.20349	11.9
520.20715	2.2
533.21735	0.9
606.24591	0.5
621.27142	100.0
622.27460	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	621.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.9
57.03435	6.5
58.00577	2.0
59.01378	100.0
61.98817	4.4
68.99766	2.1
69.03441	2.4
69.29615	3.1
69.30022	9.4
71.01015	2.2
71.01381	34.6
71.05009	5.5
71.11640	1.4
73.02941	17.8
75.00856	5.5
80.23772	1.4
80.71799	1.4
82.95410	1.6
83.01389	8.8
83.05009	3.1
85.02966	15.7
87.00851	3.6
87.04482	2.8
89.02441	19.1
95.01375	4.9
95.05036	2.3
96.96024	1.7
97.02956	1.7
97.06570	3.6
98.20639	3.0
99.00884	3.2
99.04504	2.1
101.02441	21.6
109.02952	3.3
111.00854	2.0
111.08130	1.7
113.02441	20.5
115.00336	1.6
119.03481	8.0
123.00876	2.3
125.02433	5.4
131.03455	3.0
137.02422	9.3
137.09731	2.0
143.03491	3.5
149.02405	2.2
149.04575	1.8
151.00362	18.7
152.01089	2.1
152.04753	2.0
155.10799	4.5
161.04526	6.9
165.01964	1.6
166.02702	53.8
167.03427	3.2
173.55659	1.4
177.01964	4.0
179.05672	2.4
181.03447	3.1
181.05057	64.4
182.05473	2.1
191.03427	1.9
211.07603	5.3
211.13312	2.3
215.12837	6.8
217.73222	1.5
224.90376	1.9
241.08691	2.6
267.07043	2.6
269.04434	1.6
297.03940	2.0
309.24350	1.5
355.24893	5.2
359.11285	1.9
373.26202	2.1
387.10773	12.5
399.20169	2.3
402.13159	6.9
403.13992	1.6
417.15521	98.9
418.15976	7.1
499.29117	4.8
517.30280	67.0
518.30328	4.2
535.31134	18.1
537.30957	1.5
559.31329	1.8
577.31873	5.0
621.31610	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	620.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24863	0.4
52.40319	0.3
54.13303	0.3
55.67321	0.4
61.98828	100.0
64.02089	0.3
68.69456	0.3
173.87912	0.4
293.97095	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70281	0.9
61.98829	100.0
62.01868	0.7
66.98170	0.7
68.28811	0.8
89.74356	0.7
98.20679	2.6
103.52375	0.8
110.15789	0.8
127.69954	0.7
143.08902	0.8
187.59279	0.9
192.14087	0.7
229.53000	1.3
236.38133	0.7
247.35735	0.7
251.08868	0.9
267.95044	0.7
292.74185	0.8
334.69641	0.9
469.02063	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79231	0.1
57.03449	0.2
59.01377	2.1
61.98819	0.1
63.02422	0.2
65.00332	0.1
66.39213	0.1
70.16855	0.2
70.17256	0.2
71.01374	1.7
72.99317	0.1
73.02939	0.2
75.00867	1.2
83.01398	0.3
85.02942	1.3
87.00863	0.5
89.02448	0.4
95.01383	0.3
99.00848	0.5
101.02441	0.4
104.66078	0.1
107.01388	0.2
113.02436	1.4
115.00375	0.2
117.01918	0.2
117.03477	0.2
136.01617	0.5
151.00351	0.7
151.03986	0.7
156.69012	0.1
161.04565	0.1
171.04510	0.2
172.05283	0.2
175.02423	0.2
184.05179	0.1
196.05325	0.2
200.04768	0.2
211.03964	0.3
212.04652	0.2
224.04776	0.1
239.01244	0.2
239.03429	1.0
240.04224	1.2
251.80635	0.1
267.02859	0.5
268.03726	55.1
269.04074	2.9
269.06839	0.2
283.06079	100.0
284.06427	5.9
284.09689	0.2
337.07727	2.1
339.12247	0.2
357.13452	1.0
417.15497	0.1
517.30322	0.7
535.31183	0.2
586.16345	0.1
621.14514	3.2
621.23334	0.1
622.15131	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	5.8
60.99309	15.5
61.98830	8.8
64.97764	1.1
69.64883	7.1
70.86701	1.3
71.01383	3.3
72.96579	1.1
73.53277	1.3
78.95892	4.0
87.00851	1.6
88.00391	5.2
88.98802	100.0
89.02443	21.1
96.95973	1.4
130.96133	1.0
139.77980	1.2
152.99606	2.8
155.04799	1.1
156.64587	1.2
209.11867	1.6
223.13394	1.9
253.51346	1.3
339.23434	3.2
383.22302	4.3
401.23340	3.8
545.23560	1.2
587.26410	2.1
619.30933	13.2
620.31232	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22845	0.2
61.98827	100.0
69.85728	0.9
70.13338	0.3
78.95923	0.4
98.20557	0.4
133.23038	0.2
145.59686	0.2
168.71329	0.3
374.19131	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96569	0.1
57.76142	0.1
59.01380	2.3
61.98833	0.2
63.02399	0.3
65.00335	0.3
69.93231	0.4
71.01385	0.7
72.68752	0.1
72.76234	0.1
73.02920	0.3
75.00832	0.1
77.16689	0.1
83.01385	0.3
85.02962	0.2
89.02441	0.7
91.77453	0.1
95.01369	0.2
96.96006	1.1
98.95569	0.1
99.00857	0.1
99.92558	0.2
101.02397	0.3
103.26911	0.1
107.01385	0.2
113.02399	0.3
115.20630	0.1
115.92060	0.2
116.92870	0.9
117.03398	0.2
119.03484	0.1
135.04477	0.1
137.02415	0.1
148.01709	0.2
151.00320	0.5
171.04475	0.3
172.05247	0.2
184.05209	0.1
195.04494	0.2
196.05321	0.1
200.04878	0.1
211.03952	0.4
212.04715	0.2
224.04697	0.1
238.55394	0.1
239.03481	0.9
240.04262	1.3
252.04173	0.1
267.02948	0.4
267.06659	0.2
268.03741	57.7
269.04077	2.8
281.04468	0.5
283.06094	100.0
284.06418	4.9
284.09628	0.1
297.07642	0.2
305.08188	0.1
325.07202	1.4
353.23480	0.1
377.66205	0.1
427.10400	0.1
457.11328	0.4
487.12729	0.8
575.30981	0.2
577.15381	0.7
619.07831	0.1
619.16888	0.4
619.30469	0.3
627.30109	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	619.2556
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
61.98829	4.2
70.47723	2.1
76.16251	0.6
85.78932	0.6
150.02615	0.7
167.60609	0.6
172.01926	0.6
200.56190	0.7
255.23387	0.7
270.00616	0.7
284.73999	0.6
313.23242	0.6
346.60977	0.7
389.15195	0.8
401.14038	2.4
403.17047	0.8
415.15659	3.6
416.16415	11.9
417.16937	1.6
429.17151	1.6
430.17996	2.4
431.18942	1.1
444.15826	2.1
459.18246	100.0
460.18692	8.1
473.19745	14.6
474.20593	6.5
475.20828	1.0
485.16458	1.2
499.17499	1.1
501.19205	2.0
503.17245	2.0
517.19019	1.1
518.19574	47.2
519.19708	5.0
532.21167	9.5
533.21899	87.6
534.22217	10.9
587.23004	7.1
588.23041	1.0
619.25580	87.8
620.25989	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	616.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42240	0.8
58.97244	0.8
61.22319	0.9
61.94104	1.1
61.98829	100.0
71.53558	1.0
98.81213	0.8
100.05724	0.8
107.71091	0.8
109.39449	0.8
113.14610	0.7
122.62175	0.8
313.90643	0.8
402.28580	0.9
548.29755	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.37
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.23449	2.4
71.96378	0.3
98.19928	0.6
98.63370	0.3
106.85198	0.3
111.62523	0.2
114.20433	0.2
151.11316	0.4
179.10796	0.6
197.11845	1.8
255.23232	2.0
296.20108	0.3
553.37427	6.1
553.45190	0.5
554.37738	0.5
636.00885	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.0043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89643	1.0
59.01376	100.0
61.98830	2.6
62.16043	0.9
69.18622	3.4
69.19041	6.1
69.53770	0.9
73.21393	0.8
113.02446	1.2
115.02498	6.0
117.00439	5.0
132.98228	5.4
141.00420	1.2
157.03471	1.6
159.01483	58.2
160.01625	3.4
174.97711	2.2
174.99226	43.3
192.95874	2.0
201.02524	13.6
217.00276	95.7
218.00655	1.2
218.98178	1.1
232.98103	1.6
256.98129	1.0
259.01691	1.3
274.99307	7.6
284.79416	1.0
288.83075	1.9
290.97153	3.5
298.99228	1.3
301.02652	28.9
302.02786	2.7
317.00366	63.9
318.00439	3.5
330.84161	1.0
332.98151	22.1
348.96121	1.1
359.01373	4.5
374.99188	35.4
375.99405	1.9
390.97226	1.6
432.97726	1.0
459.01697	7.0
460.01810	1.1
474.85181	1.3
474.99277	36.7
475.99216	3.0
509.77377	1.0
514.97345	1.9
555.00256	2.3
556.98358	49.9
557.98364	5.1
578.17828	1.2
616.86566	1.4
647.18005	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.4
58.20994	0.4
59.01370	4.5
61.98833	2.2
64.97763	0.4
70.00893	1.1
70.01295	0.7
71.01380	3.2
72.99308	0.5
73.02959	1.1
75.00885	0.5
78.95914	0.8
80.02686	1.1
81.03471	1.0
83.01394	0.6
83.05018	4.0
84.02179	0.5
85.02946	1.1
87.00853	0.7
89.02451	2.0
90.61987	0.4
91.37540	0.4
97.02930	0.6
101.02431	3.4
113.02451	1.7
119.03521	0.7
119.05067	0.4
125.06027	0.5
125.09719	1.4
127.11285	1.9
135.08194	0.5
152.99570	1.1
153.09299	0.6
161.04538	1.5
163.11334	3.1
165.12898	2.1
171.10265	100.0
172.10634	2.4
179.95309	0.4
191.10757	0.8
192.85060	0.4
199.13416	0.6
209.11815	89.6
210.12163	3.4
214.29919	0.5
227.12868	12.8
235.08241	2.6
238.89363	0.4
253.09280	8.1
407.19247	1.8
445.20670	1.6
581.29181	0.5
617.28705	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.8
65.63773	6.9
69.07144	5.8
69.37565	41.1
69.37977	16.2
71.01374	44.3
73.02946	9.9
79.52223	6.6
88.98808	52.9
89.02423	9.8
91.51374	6.3
96.88929	6.7
98.20638	14.3
101.02448	16.9
107.61865	7.0
109.06587	15.1
113.06068	19.2
116.85019	6.3
163.11189	7.8
171.10287	100.0
188.46230	7.5
197.11775	36.3
199.09738	69.5
201.11349	13.3
201.43008	7.5
207.10237	74.3
209.11778	53.5
211.13451	6.5
216.89407	7.1
217.22408	8.0
223.13440	37.7
225.11252	47.7
227.12852	13.4
248.75009	7.2
253.09288	55.8
254.09470	9.2
344.75003	6.8
435.18640	44.5
461.20270	36.3
462.21103	10.0
472.61176	6.7
613.26465	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	613.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
67.33035	0.4
77.74605	0.5
98.20651	1.3
103.75672	0.5
175.45236	0.5
188.36328	0.5
325.35446	0.6
574.12067	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	11.5
71.01370	4.6
71.52422	3.6
71.52799	3.1
79.16599	3.1
80.52399	2.7
85.02950	3.3
87.00867	100.0
89.02446	3.6
96.96005	8.5
97.06590	4.7
101.02442	5.0
107.04987	3.1
119.05038	17.5
125.02438	6.9
125.06046	4.7
127.07641	12.4
129.01978	17.9
139.07625	14.9
147.02985	29.3
149.06082	5.4
155.07121	44.6
163.02747	2.9
163.03946	19.2
167.07141	30.6
196.18134	2.9
227.09209	6.4
245.10338	8.5
248.51659	3.3
323.13391	6.1
369.31763	3.3
387.21283	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	611.1619
Annotation	Flavoplatycoside
Peak:m/z	Relative Intensity
57.03452	6.5
59.01388	5.9
65.00312	3.3
68.99836	1.3
70.02969	4.1
71.01378	3.3
72.04523	2.1
74.02470	41.2
83.01393	4.7
89.02477	1.4
93.03478	1.7
95.01416	1.5
98.02460	9.0
98.20676	2.5
101.02383	1.4
107.01373	6.8
109.02930	2.7
116.03531	18.1
121.02940	2.9
123.04526	3.5
124.01661	1.4
125.02439	87.0
126.02787	1.3
128.03549	2.2
131.01367	1.0
132.04550	14.1
137.02420	2.8
139.04010	3.7
144.04492	2.5
149.02444	12.4
151.00352	20.8
151.04007	2.5
152.01131	2.1
153.01923	28.1
161.02417	1.5
163.00319	3.1
163.03983	1.3
165.01942	1.2
166.02672	1.4
167.03452	2.2
173.06053	1.4
174.03192	2.0
175.00362	3.2
175.03963	11.4
175.08710	1.6
177.01921	15.4
178.99852	10.1
181.01421	3.4
188.04715	2.1
189.02032	1.2
189.05598	3.8
191.03474	3.1
195.02960	1.5
197.04346	1.2
199.04024	5.2
201.01862	1.3
201.06628	6.0
213.05524	1.9
217.05028	6.8
219.07771	1.7
231.06551	1.7
241.04999	3.0
259.06403	2.3
261.08783	52.8
262.09152	3.2
275.05569	17.0
284.03290	1.5
285.04031	49.8
286.04324	2.3
292.80887	1.2
299.05533	2.9
303.05069	100.0
304.05475	4.8
327.05225	1.7
331.41367	1.1
459.11487	2.6
461.12836	1.9
487.10867	3.3
551.26965	3.8
583.16626	6.4
593.15167	2.9
611.16101	14.8
612.16858	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	613.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03202	1.7
57.03449	23.3
59.01379	6.7
61.98816	3.1
69.67754	6.2
71.01378	6.1
75.00856	3.1
79.64393	1.3
85.02932	3.5
85.04060	8.9
85.92812	1.1
87.05614	2.5
96.96013	2.9
97.00113	1.4
97.02941	1.9
99.04517	8.9
101.02431	7.5
101.42820	1.2
107.78197	1.3
109.02912	1.8
109.65520	1.3
113.02428	2.0
117.03468	20.5
119.05017	23.1
125.02436	12.5
128.03546	17.3
135.05618	1.5
137.02385	1.9
143.04962	1.3
145.02945	100.0
146.03238	2.1
149.02390	1.7
150.03177	3.6
152.08257	2.4
157.06207	11.8
163.03995	24.1
165.05592	2.5
179.04601	2.2
187.04045	1.7
187.97011	1.5
195.06560	2.4
196.07245	2.8
213.14899	2.5
240.10535	4.2
267.07101	3.5
268.09256	3.1
269.04437	1.6
286.10449	5.6
307.08115	4.5
326.14325	3.1
329.06573	2.1
349.09229	2.7
417.15390	2.1
431.11777	9.0
433.11392	33.8
434.11163	2.1
451.13437	2.4
475.12347	38.6
476.12561	1.7
484.20895	2.9
515.15558	17.2
516.15710	3.2
523.20319	1.9
565.20978	1.6
577.15546	9.3
595.24792	3.4
613.25543	30.8
614.25482	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	609.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50294	2.2
84.04121	2.1
95.30460	2.3
99.61818	2.1
279.23270	100.0
280.23544	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	610.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.4
61.98829	100.0
62.98524	0.1
71.01380	0.6
71.53664	0.1
71.54118	0.2
72.04848	0.1
72.99344	0.1
73.02943	0.1
75.00867	0.2
85.02966	0.2
87.00951	0.1
88.98840	0.3
89.02453	0.3
99.00842	0.1
101.02445	0.4
113.02448	0.3
125.02461	0.3
152.99626	0.1
209.11847	0.3
210.12074	0.2
211.13403	1.2
212.13802	0.4
252.35602	0.1
268.03711	0.2
269.04065	0.2
283.06244	0.2
284.06543	0.5
328.39612	0.1
341.71445	0.1
397.13422	0.4
398.13776	0.3
400.12897	0.1
415.14627	0.2
610.14398	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	611.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96511	8.9
54.58686	7.5
59.01369	34.5
61.98825	49.2
71.01383	10.6
71.08356	19.2
72.56562	8.6
74.86960	9.3
75.88017	9.6
84.02513	8.6
95.75274	8.3
96.96009	100.0
96.96957	10.7
98.46109	7.6
101.06022	7.5
109.09959	8.5
119.29897	7.9
171.10217	8.6
225.11383	10.9
501.08835	8.4
611.37830	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	609.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66056	1.1
55.98978	1.1
57.03432	3.3
59.01376	63.4
61.98840	2.0
69.91406	1.5
69.91814	4.2
71.01379	16.4
71.05024	1.0
73.02943	4.4
73.06955	1.1
83.01371	3.6
85.02945	9.8
87.00872	2.6
88.98800	4.5
89.02430	1.7
95.01385	2.8
97.06567	1.1
98.19989	1.9
98.69321	0.9
99.00871	2.2
101.02436	7.4
111.00891	1.6
113.02459	9.4
125.02447	3.3
137.09651	0.9
143.03445	2.0
157.12303	2.1
159.02888	1.2
161.04608	1.8
171.13866	2.4
187.13362	2.1
201.14941	2.0
211.13362	1.4
255.02940	1.6
284.03241	2.7
299.05759	5.3
301.06140	1.7
309.58572	1.0
315.25427	1.4
359.27859	2.6
361.29599	11.3
362.29828	1.2
505.33771	100.0
506.34097	7.0
523.34772	20.8
565.35815	8.5
609.13989	1.3
620.24139	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58620	1.0
57.89386	1.1
59.01382	2.2
61.98828	1.3
63.95765	1.0
70.60066	2.9
93.03467	1.3
95.05020	32.1
97.60204	1.1
98.20583	1.2
101.96432	1.0
146.41600	1.1
171.10147	1.5
176.63278	1.0
179.14413	1.3
195.13885	8.9
205.12244	1.5
211.13365	2.3
217.07359	1.2
223.13341	10.4
225.11293	1.2
246.12321	9.8
275.20096	4.7
278.11316	65.1
279.11630	2.6
293.21204	100.0
294.21503	3.8
300.02682	1.5
301.03519	2.5
315.19409	27.5
316.19757	1.2
409.81393	1.1
474.47549	1.2
572.31641	2.6
609.14044	1.3
609.41705	18.0
610.41931	2.5
617.74524	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83820	0.7
57.03444	1.1
57.37226	0.9
59.01381	12.8
61.98825	1.1
70.04832	0.7
71.01025	0.9
71.01376	6.5
73.02938	1.2
83.01390	2.2
85.02953	3.8
87.00853	1.5
89.02427	2.6
93.03430	1.0
95.01377	1.1
97.02951	0.8
99.00873	1.1
101.02433	2.9
107.01387	1.8
113.02437	3.5
119.03463	1.3
121.02972	3.0
122.03734	2.7
123.04539	0.9
125.02450	1.9
134.03725	2.6
136.05292	1.0
149.02408	1.0
149.06088	1.1
150.03185	3.5
150.04247	0.7
151.00371	5.7
152.00688	0.8
165.05609	6.9
179.07094	0.8
183.13972	0.9
195.06575	2.4
211.13377	5.5
211.51608	0.8
212.04622	0.8
227.03444	1.4
255.02898	2.8
256.03595	4.2
257.03937	2.7
258.04330	2.2
278.88541	0.8
284.03235	88.0
285.03589	77.4
286.03806	74.1
287.04230	3.0
298.04498	1.0
299.05585	100.0
300.05917	86.0
301.06168	96.7
302.06384	3.4
343.15359	1.6
346.14273	1.0
347.14651	1.1
361.16492	10.2
397.13510	3.4
415.14575	1.2
505.20749	25.5
506.20959	2.7
523.21899	7.3
524.22400	1.3
530.35150	0.9
565.22919	3.1
609.17273	18.9
609.26733	2.3
610.16425	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.5
61.98820	0.8
69.31888	2.3
69.32307	1.8
71.01366	2.0
75.00868	0.7
79.95732	0.6
83.04995	0.4
85.02950	0.9
87.00860	1.8
88.98801	1.6
89.02433	1.6
90.82085	0.4
93.03455	1.5
99.00889	0.5
101.02425	1.3
104.25636	0.5
108.02179	0.7
109.02943	5.4
113.02437	0.8
121.02947	11.0
122.03757	9.0
123.00835	0.8
123.04491	1.4
124.01658	2.0
125.02414	2.1
126.29235	0.5
134.03702	0.9
135.04509	1.9
136.05280	1.0
137.02400	2.1
146.03703	0.6
147.04507	4.8
149.02429	1.1
149.99551	1.5
150.03183	2.8
151.00354	1.4
152.01146	1.0
154.02705	1.0
161.02277	0.5
161.06076	1.3
164.04720	0.7
165.05557	23.9
168.00578	3.3
175.07726	0.5
178.99817	0.6
179.05685	0.8
179.07117	6.8
191.07103	0.7
195.06604	4.9
209.08150	1.5
209.11812	1.3
210.12402	0.6
211.13403	3.3
223.09692	0.7
243.02983	1.2
255.03102	1.2
257.04425	0.5
271.02460	3.9
277.45178	0.5
285.04047	2.0
299.01923	1.6
300.02701	6.5
301.03552	4.2
302.03729	0.6
309.42880	0.5
313.14423	1.2
314.04251	1.4
315.05090	1.6
315.12387	1.9
316.13165	0.6
329.13684	0.7
331.15430	0.6
346.14185	9.9
347.14529	0.6
357.13248	1.6
361.16537	100.0
362.16910	5.8
369.13184	0.6
397.13535	1.9
398.14032	0.6
399.14005	0.5
415.14807	1.4
447.09497	1.1
550.76843	0.6
565.22601	1.0
590.84473	0.6
609.14374	14.9
609.27441	1.3
610.14917	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07824	0.6
59.01381	0.6
63.02394	0.9
65.00327	1.1
69.76331	0.6
69.76751	1.5
75.36430	0.4
76.19891	0.4
83.01366	0.7
103.80161	0.6
107.01426	2.0
121.02920	0.5
125.02390	0.6
149.02443	4.6
150.03198	0.9
151.00354	5.3
183.04489	0.5
187.03777	0.5
191.03513	1.0
215.03476	1.4
227.03436	1.0
233.04539	0.7
239.03392	1.1
243.02951	0.8
255.02946	1.3
265.36487	0.4
271.02420	0.5
272.03238	4.0
283.02386	1.1
300.02728	46.0
301.03500	92.8
302.03854	4.2
313.03473	0.7
343.04599	0.8
609.14563	100.0
610.14874	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	609.1458
Annotation	Rutine
Peak:m/z	Relative Intensity
53.57078	0.4
59.01360	0.5
63.02375	0.6
63.47789	0.4
65.00318	1.7
69.58139	3.1
83.01365	1.0
94.82755	0.5
98.19896	0.7
107.01353	2.7
108.02151	1.1
108.43960	0.4
109.02924	1.6
121.02930	1.4
121.82461	0.4
135.00832	0.6
148.01645	1.1
149.02364	0.8
151.00363	12.0
163.00316	2.2
164.01132	0.6
178.99841	6.4
190.99986	0.5
192.00597	0.6
195.23595	0.4
199.04045	1.0
211.04005	0.7
215.03529	0.6
216.04156	0.5
226.02654	1.2
227.03531	2.9
229.05037	0.6
243.02946	10.7
245.04471	1.0
254.02238	2.4
255.02975	25.4
256.03424	1.1
257.04565	0.6
269.04718	1.0
270.04840	0.7
271.02460	53.4
272.02942	2.8
273.03979	1.7
283.02386	1.0
299.02017	1.0
300.02722	100.0
301.03464	35.1
302.03784	1.8
343.04376	0.7
609.14557	94.9
610.14929	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	609.1243
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
54.01523	0.8
57.03448	9.9
57.95202	0.7
59.01376	1.3
60.34247	0.7
69.40768	3.3
69.41183	2.2
71.01375	1.2
81.03452	1.3
83.01373	2.9
93.03443	3.0
95.01376	1.5
96.96033	1.1
97.02939	2.4
105.03443	1.0
109.02957	10.4
111.04510	2.4
115.42354	0.8
121.02950	5.0
123.00836	2.7
123.04543	0.9
124.01681	1.9
125.02441	100.0
126.02768	2.2
130.18562	0.8
133.02951	1.9
135.04456	1.1
136.87874	0.9
137.02432	24.1
138.01146	0.8
138.03270	1.3
139.04004	12.6
147.04533	1.3
149.02414	6.9
151.03970	4.4
153.01935	0.9
159.04478	2.0
161.02391	1.9
163.00339	1.2
163.03970	2.4
164.01141	4.4
165.01921	11.1
166.02699	0.8
167.03462	12.0
173.05968	1.2
175.04001	5.0
175.07690	0.9
176.01051	1.1
177.01923	68.2
177.05414	2.9
178.02429	2.2
179.03473	8.9
187.03960	2.0
189.05519	1.3
191.03532	1.4
191.07147	1.2
199.04002	1.1
201.05518	1.4
203.03423	2.3
204.04196	1.7
205.01422	2.2
205.05022	1.1
211.03970	2.3
215.03424	1.9
217.01320	1.0
217.05093	2.7
219.03009	1.2
219.06592	7.1
221.04578	4.7
227.03499	1.4
228.04237	1.6
229.05006	2.9
231.03020	1.2
243.02966	4.8
243.06676	1.0
253.95482	0.9
255.03006	12.8
256.03674	3.4
257.04517	2.6
259.06140	0.9
261.03949	1.0
261.07544	1.9
263.05728	1.1
269.04407	2.8
273.04034	7.2
282.01511	1.1
283.02530	9.5
284.02789	1.4
285.04053	3.6
297.04031	4.8
303.05026	8.7
305.06647	63.5
306.06946	2.3
315.05096	2.2
397.09155	1.2
423.07193	68.5
424.07523	4.4
441.02563	1.5
441.08279	21.5
442.08505	1.3
447.09186	1.1
483.09326	6.9
609.12439	12.1
609.20990	1.2
610.13226	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1245
Annotation	Gallocatechin-(4alpha->6)-gallocatechin
Peak:m/z	Relative Intensity
55.78928	0.7
57.03450	11.7
70.71089	2.1
81.03457	2.3
83.01364	2.7
87.47411	0.8
93.03452	3.2
95.01389	1.6
95.05018	1.6
97.02945	1.7
104.09515	0.7
107.05005	1.2
109.02955	10.7
111.04501	3.4
114.85905	0.9
121.02946	6.3
121.06588	0.8
123.00867	2.9
123.04481	1.1
124.01625	3.0
125.02444	100.0
126.02769	2.3
128.18808	0.8
131.05005	1.0
133.02934	2.3
135.04523	1.9
137.02440	24.9
138.03183	0.8
139.04022	10.2
149.02412	7.3
149.06075	0.9
150.81752	0.7
151.03999	5.4
158.38708	0.8
159.04474	1.6
161.02435	1.8
163.00319	1.1
163.03972	2.6
164.01173	3.8
165.01910	13.0
166.02554	1.1
167.03490	13.0
175.03973	5.5
177.01920	77.4
177.05495	3.2
178.02373	2.5
179.03513	8.5
187.04004	3.3
191.03488	1.0
191.07207	0.8
193.05016	0.9
199.04008	1.3
203.03445	2.8
204.04224	1.2
205.01445	1.1
211.03958	1.8
213.05531	1.7
215.03439	2.5
216.36229	0.8
217.05045	2.2
219.03043	1.0
219.06642	8.2
221.04523	4.2
225.05644	0.7
227.03412	1.2
228.04266	1.3
229.04955	2.6
231.02980	0.9
243.03018	5.3
243.06575	1.1
245.04648	1.2
246.04895	0.8
255.02975	15.5
256.03650	4.3
257.04553	1.5
261.03995	3.4
261.07593	1.1
263.05420	1.1
267.07095	1.0
269.04568	2.1
273.04068	3.8
282.01712	1.6
283.02472	9.8
285.04245	3.8
287.05591	1.5
297.03943	7.0
298.04562	1.1
303.05228	8.9
305.06650	69.3
306.07004	3.8
315.05017	1.7
355.08157	2.5
397.09100	1.7
417.12515	0.9
423.07190	76.4
424.07318	4.6
441.08228	21.7
442.08356	1.6
453.08871	0.8
465.08328	1.4
483.09232	6.8
609.12347	11.3
610.13379	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09608	0.8
57.03445	10.7
59.01364	1.4
65.00283	0.9
69.75854	0.7
70.36475	1.0
70.36816	2.5
81.03454	1.8
83.01369	3.5
93.03441	4.0
95.01372	1.8
95.05008	1.6
96.95995	1.6
97.02943	1.2
105.03466	0.9
107.05007	2.0
109.02953	13.7
111.04536	2.7
121.02954	5.4
123.00868	4.0
123.04480	0.8
124.01656	3.2
125.02445	100.0
126.02750	2.7
133.02928	1.5
135.04523	1.0
137.02432	21.9
138.03165	1.3
139.04010	12.3
149.02414	8.0
149.06104	0.9
151.04041	5.0
152.01224	0.8
153.01945	0.8
159.04459	1.7
161.02448	2.6
163.00394	0.9
163.04001	1.4
164.01125	3.8
165.01927	9.9
166.02655	1.1
167.03477	14.4
175.03987	6.8
176.01089	1.0
177.01926	66.7
177.05350	2.1
178.02338	3.8
179.03493	9.6
182.33493	0.8
185.85196	0.9
187.03943	3.1
189.05534	1.7
191.03496	2.0
193.05058	1.6
201.05502	1.2
203.03474	2.2
204.04260	2.3
205.01430	1.0
211.03958	2.7
213.05499	1.4
215.03477	2.6
217.05026	2.0
219.03033	1.2
219.06573	6.7
221.04510	3.1
227.03462	1.1
228.04234	1.5
229.04945	3.3
243.02974	7.2
244.03224	1.2
253.04982	1.0
255.02977	20.5
256.03680	5.3
257.04498	3.2
259.81335	0.8
261.03912	2.9
261.07642	2.4
269.04474	2.6
273.03903	4.5
282.01767	1.5
283.02493	12.4
284.02820	1.2
285.04053	3.5
297.04041	6.7
299.05734	1.0
303.05038	8.8
305.06647	60.0
306.06970	2.4
315.05017	2.6
345.06302	0.9
355.08121	1.3
397.09167	1.9
423.07193	83.2
424.07687	7.2
441.08212	23.0
442.08179	1.8
483.09299	5.7
609.12329	7.3
610.12720	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11653	1.3
60.66749	1.1
61.98829	100.0
62.62059	1.0
64.01196	1.4
71.43759	1.1
71.52801	1.0
77.38480	1.3
78.95934	1.2
93.34571	1.1
187.67146	1.3
371.10272	1.2
609.21539	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	12.3
65.00330	0.8
69.46339	5.2
79.48570	0.8
81.03469	1.9
83.01393	3.0
93.03455	3.6
95.01393	1.6
95.05064	1.3
97.02950	2.7
105.03475	1.1
107.05044	1.6
107.55698	0.8
109.02949	12.5
111.04534	3.1
119.04983	0.9
121.02934	6.6
123.00887	2.6
123.04527	2.0
124.01661	3.6
125.02444	100.0
126.02763	3.2
131.05055	1.6
133.02940	2.6
137.02435	24.3
138.03154	1.4
139.04008	11.7
145.06531	0.8
145.71385	0.8
149.02434	8.0
149.05940	0.9
151.04002	6.0
159.04500	1.1
161.02408	2.6
162.33449	0.8
163.04041	1.8
164.01141	3.7
165.01949	13.2
166.02567	1.0
167.03479	16.3
168.03851	1.0
175.04002	9.2
176.04579	0.9
177.01920	72.1
177.05515	2.4
178.02344	3.7
179.03482	10.2
181.05060	0.9
183.04359	0.9
187.04012	4.1
191.07150	1.8
193.05005	1.2
196.27509	0.8
199.03958	1.8
201.05556	0.9
203.03503	2.5
204.04182	1.5
205.01459	1.4
211.04106	1.2
213.05583	1.6
214.02763	0.8
215.03508	2.7
215.07010	0.8
217.04980	2.5
219.02985	1.2
219.06592	6.8
221.04561	4.8
227.03429	1.9
228.04205	1.1
229.05013	3.4
231.03253	0.9
243.02959	8.1
245.04422	1.0
246.46375	0.8
247.02507	1.0
255.02940	20.3
256.03723	6.3
257.04547	3.3
261.03995	4.7
261.07489	1.5
269.04477	2.3
271.06052	1.3
273.03989	5.2
282.01706	1.3
283.02472	11.7
283.43723	0.9
285.03989	3.9
288.02856	1.3
297.04028	7.6
298.04703	0.9
303.05048	8.3
305.06644	64.9
306.06964	3.0
315.05072	2.0
355.08279	2.7
397.08936	1.3
423.07190	84.4
424.07602	7.4
427.83176	1.0
441.08243	23.6
442.08591	2.8
454.71429	0.9
483.09155	7.2
609.12439	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	608.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91408	0.1
61.98829	100.0
62.63455	0.1
69.20830	1.1
70.55762	0.1
71.26968	0.1
76.43906	0.1
77.90540	0.1
80.96495	0.1
84.25058	0.1
87.20217	0.1
98.19859	0.2
121.56759	0.1
140.80731	0.1
155.78683	0.1
174.32874	0.1
205.05685	0.1
229.74524	0.1
244.98305	0.2
256.95941	0.1
434.17520	0.1
523.18408	0.3
567.06146	0.1
609.14825	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	608.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81427	0.4
55.38530	0.4
59.01378	4.6
61.98829	100.0
68.92842	0.3
71.01389	1.4
72.09576	0.4
75.20518	0.4
77.76093	0.4
78.95886	0.8
80.96523	0.5
83.91143	0.4
85.03001	0.4
87.00904	0.5
89.02449	0.7
96.06603	0.4
101.02428	0.5
113.02480	0.4
125.02473	0.7
152.99620	0.4
178.69116	0.4
197.11894	0.5
211.13416	2.6
223.12578	0.4
229.90022	0.5
272.01480	0.4
284.03342	0.6
285.03384	0.4
299.05640	0.5
301.03632	0.7
302.20932	0.4
309.20639	0.5
320.17459	0.4
397.13647	1.4
441.12894	0.4
463.05707	0.5
488.33212	0.4
534.28357	0.8
609.14984	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07166	0.2
58.66264	0.1
59.01379	0.4
61.98828	100.0
64.18590	0.2
69.85213	0.3
69.85624	0.7
71.01377	0.3
80.96529	0.7
82.90810	0.1
170.67947	0.2
211.13408	0.2
241.10347	0.2
257.72656	0.2
279.39932	0.2
300.06070	0.2
307.88086	0.2
415.58359	0.2
609.16602	0.3
609.25476	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
61.98827	100.0
67.24630	0.2
70.00733	0.9
71.01405	0.3
71.27853	0.2
72.62399	0.2
77.32497	0.2
83.16806	0.3
95.23940	0.2
101.02458	0.2
101.66327	0.2
113.02504	0.2
183.13866	0.3
184.14352	0.4
209.11816	0.5
227.12965	0.8
228.13336	0.5
378.48511	0.2
608.26062	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
64.24586	0.2
64.53333	0.2
71.52753	0.3
78.95901	0.4
86.07567	0.2
142.83347	0.2
182.88432	0.2
353.50214	0.2
508.08417	0.2
545.33069	0.3
546.81293	0.2
633.39874	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.8
57.99166	1.2
59.01375	54.9
61.74039	1.0
61.98856	1.0
69.35216	2.4
69.35615	7.2
71.01376	14.4
73.02940	5.4
83.01395	4.0
85.02934	9.4
86.00077	1.1
87.00867	1.3
87.04502	1.9
89.02434	2.8
94.35467	1.0
95.01393	1.8
97.02951	2.1
98.20731	1.4
99.00888	2.7
101.02431	12.2
101.93188	1.0
104.75005	1.1
110.70700	1.0
111.00862	2.0
113.02435	9.2
119.03554	1.2
121.10239	3.4
125.02395	1.4
125.09694	1.1
125.30038	1.0
130.51584	1.1
141.12851	3.0
143.03450	1.3
159.02979	1.9
161.04448	2.2
171.13890	3.6
201.14970	10.7
232.02713	1.4
284.03268	3.5
299.05576	3.9
341.26770	1.7
345.19174	3.6
359.27945	4.7
363.20117	2.3
503.32214	100.0
504.32565	7.0
521.33209	20.5
522.33563	2.4
562.90137	1.3
563.34314	6.1
607.16882	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	6.5
59.01378	80.4
61.98835	2.2
64.47446	1.4
69.03463	2.5
71.01393	27.0
72.99289	1.8
73.02943	8.4
75.00876	2.4
83.01350	4.8
85.02959	15.3
87.00884	2.5
89.02450	10.3
89.77661	1.6
89.91574	1.4
90.98811	1.5
93.07109	1.6
95.01382	4.2
97.02922	2.6
97.40734	1.5
99.00870	3.6
101.02435	16.6
112.01633	1.4
113.02450	16.8
119.03471	3.0
124.35757	1.6
125.02462	2.7
135.94153	1.7
143.03491	4.5
161.04498	4.7
171.13913	7.7
230.11588	1.6
284.03265	2.5
299.05582	5.2
315.18250	2.8
333.19055	3.0
359.27838	5.0
470.13168	1.7
503.32224	100.0
504.32437	9.6
521.33258	33.3
522.33936	2.5
563.34406	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	607.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63234	0.8
57.03423	0.8
59.01374	8.6
69.81649	1.0
71.01371	4.3
71.29778	1.5
73.02911	0.8
75.00865	7.1
85.02944	6.6
86.93517	0.9
89.02437	1.9
96.05141	0.9
99.00871	1.7
101.02454	1.6
108.02209	0.9
113.02448	6.0
113.89381	0.8
121.02950	3.7
122.03623	1.1
125.02412	1.5
147.04607	1.3
149.02333	1.1
150.03185	3.3
158.03766	2.3
159.04538	6.7
160.05290	17.2
161.06009	5.2
163.03992	4.9
164.04771	4.6
173.06062	2.3
174.06812	1.0
175.07639	18.3
176.07906	0.9
177.05524	4.0
178.06326	5.1
179.83736	0.9
192.07884	1.4
193.08688	1.3
269.04486	2.2
269.08127	6.2
283.09763	2.4
284.03256	1.9
299.05795	1.6
299.09116	2.9
311.09167	5.3
312.09717	1.1
314.11554	10.7
326.11694	4.5
328.12576	1.4
329.13922	100.0
330.14264	7.2
339.12372	1.1
341.13882	13.0
342.14285	1.4
359.14938	2.3
360.15167	1.0
607.25970	33.6
608.26239	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	607.203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14908	0.7
54.13900	0.8
57.03448	0.8
57.08822	0.8
59.01381	32.8
69.03447	0.9
71.01371	5.9
73.02924	1.2
75.00865	3.9
85.02971	4.3
89.02448	1.9
93.03473	1.0
96.96027	1.4
99.00883	1.7
101.02431	3.2
104.42849	0.8
108.02156	2.4
109.02950	10.9
113.02446	3.4
119.05026	2.2
123.04516	3.0
125.02417	1.8
135.02950	1.2
137.02431	1.4
145.03198	0.8
149.06053	0.8
151.00349	1.2
159.04523	4.7
161.04509	1.0
163.04028	2.3
172.05289	1.7
173.06070	4.0
182.02155	1.4
187.07619	4.0
189.05531	3.3
190.06361	8.5
191.07109	1.5
197.04572	1.4
203.07095	1.8
204.67729	1.0
205.08669	7.6
223.22131	0.9
224.04787	2.3
240.04323	4.8
241.05151	5.8
243.03059	1.5
253.04803	1.1
255.02982	4.1
255.06590	6.0
265.08478	1.0
267.06949	1.7
268.07376	1.7
269.04498	2.8
269.08154	2.1
271.02383	1.1
280.07471	1.7
281.08252	1.6
283.02408	2.0
283.09644	0.9
284.03275	3.5
295.09845	7.9
296.10352	2.7
298.05005	0.9
299.05688	4.0
299.09229	3.4
311.09180	2.8
311.12610	1.1
313.10846	4.3
325.10852	0.9
326.11554	10.5
327.08530	1.2
327.12177	1.7
329.10239	2.0
341.13928	11.7
343.11624	1.2
344.12613	14.8
345.12955	1.2
355.11621	2.0
359.14984	48.3
360.15237	3.0
386.13794	6.1
386.17990	1.2
401.16031	100.0
402.16577	5.3
445.11292	1.6
503.19199	1.5
563.21106	3.2
586.32129	1.1
607.14886	5.9
607.25891	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	607.1873
Annotation	Dimethoxyscytonemin
Peak:m/z	Relative Intensity
57.03436	3.2
59.01379	22.8
60.10424	1.0
61.98824	2.7
67.76962	1.0
68.99810	1.1
69.03454	1.3
71.01377	13.9
71.53275	1.5
72.99297	5.1
73.00128	1.0
73.02944	1.8
75.00872	15.3
80.12727	0.9
83.01379	2.1
85.02943	14.7
87.00878	5.5
89.02434	4.4
93.03451	2.6
95.01389	3.0
96.95992	1.9
97.02946	1.6
97.71696	1.1
99.00874	11.1
101.02463	2.7
108.02147	1.8
109.02922	1.5
113.01714	1.6
113.02436	15.3
114.24488	1.1
117.01933	2.7
119.03488	1.5
119.05005	3.2
121.02950	2.5
123.04505	3.1
125.02417	5.6
131.03535	1.2
132.76598	1.0
135.04552	5.8
136.05293	12.0
137.02444	1.4
139.00331	1.4
139.03976	1.6
151.04013	2.8
151.07617	2.0
157.01334	2.3
167.03557	1.1
175.02522	1.1
177.01926	2.3
177.05498	2.3
181.05058	2.3
193.05110	1.3
195.06618	62.7
196.06879	1.5
209.11826	1.9
231.04901	1.4
249.06157	10.7
267.07156	2.0
269.04553	1.3
286.62854	1.2
305.06577	1.9
383.13275	1.8
397.13541	1.2
427.12241	3.6
445.13251	13.6
445.45081	1.1
589.17065	1.4
607.18683	100.0
608.19550	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	606.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79005	0.2
56.93449	0.2
57.65366	0.2
59.01373	0.7
59.43110	0.2
61.98825	100.0
69.39455	1.6
74.96507	0.2
141.18353	0.2
180.91182	0.2
209.11920	0.3
211.13371	0.3
222.24333	0.2
284.03369	0.3
299.05453	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82631	0.6
59.01378	2.7
61.98827	100.0
69.10406	0.7
71.01383	1.0
71.53390	1.0
85.39227	0.7
87.00932	0.6
101.02448	0.7
117.72768	0.6
139.67487	0.6
141.48952	0.7
152.25735	0.6
166.52773	0.6
167.58516	0.7
209.11810	1.2
284.03409	1.0
297.77402	0.6
299.05478	1.4
421.52908	0.6
535.96600	0.7
606.32806	0.6
607.26453	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	607.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02108	0.3
57.60394	0.3
59.01372	1.2
61.38254	0.3
65.00336	0.5
65.02546	0.3
75.00892	1.6
83.01370	0.4
85.02931	1.5
87.00873	0.5
92.86127	0.3
95.01399	0.4
99.00910	0.5
100.37780	0.3
101.02443	0.4
107.01420	0.5
113.02428	1.5
134.03700	0.4
142.52376	0.3
149.99658	0.3
151.00369	1.1
183.31056	0.4
200.04662	0.4
211.03989	0.5
212.04587	0.3
213.80505	0.3
215.54077	0.3
227.03304	0.7
229.67761	0.4
236.85487	0.3
255.02911	0.6
256.03732	2.3
280.58127	0.3
283.02585	0.6
284.03241	100.0
285.03580	5.8
290.55414	0.3
299.05582	84.4
300.05893	4.1
307.06821	1.8
444.39618	0.3
607.12994	38.5
608.13202	3.3
623.94818	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1667
Annotation	Diosmin 
Peak:m/z	Relative Intensity
54.46202	0.2
55.01863	0.3
57.03426	0.7
59.01107	0.3
59.01374	3.6
59.20019	0.2
65.00341	0.4
65.95101	0.2
69.35645	1.1
69.36053	0.3
72.99288	0.7
73.02934	0.4
75.00869	3.7
83.01386	0.6
85.02940	3.4
87.00859	0.6
89.02424	0.6
95.01369	0.3
98.20612	0.4
99.00878	1.2
101.02424	0.8
107.01369	0.6
113.02457	3.4
115.00346	0.2
117.01854	0.3
119.03476	0.3
134.03764	0.4
149.99612	0.2
151.00378	1.0
175.02666	0.2
197.54080	0.2
200.04657	0.2
211.03970	0.3
227.03497	0.7
255.02898	1.5
256.03714	3.1
283.02505	0.6
284.03232	88.9
285.03561	4.3
297.04092	0.4
299.05573	100.0
300.05930	5.1
341.06622	0.2
387.24237	0.3
607.16583	6.0
607.26172	18.0
608.16980	0.5
608.26740	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34425	0.2
59.01369	0.5
61.98828	100.0
78.95923	0.4
85.26183	0.2
139.59187	0.2
152.99628	0.2
209.11920	0.4
228.94176	0.2
244.49025	0.2
284.03406	0.3
354.13092	0.2
367.62924	0.2
471.78378	0.2
584.72192	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18620	0.1
59.01380	0.2
61.56522	0.1
61.98828	100.0
70.53511	0.3
70.53862	0.2
71.81654	0.1
83.01395	0.1
109.58894	0.1
145.27786	0.1
153.36076	0.1
165.29947	0.2
209.11951	0.2
290.18509	0.2
538.17999	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2403
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
50.61289	0.3
52.36567	0.3
61.98816	0.5
64.98865	0.3
71.36241	0.5
82.35810	0.3
106.06606	0.5
124.75571	0.3
299.15564	0.4
394.12076	0.4
415.15451	0.7
416.16217	0.9
429.17261	0.5
430.17941	0.8
431.18143	0.4
443.18872	0.6
457.21036	1.7
458.17380	0.8
459.17798	2.7
460.18106	0.5
461.23300	0.7
469.20807	0.5
470.21539	0.6
471.18039	1.1
473.19687	4.5
475.21515	0.5
485.19485	1.7
485.24020	1.2
486.20700	3.7
487.21152	0.6
496.18704	0.8
499.17572	1.6
501.23801	2.7
502.20648	0.4
511.21271	2.4
513.19305	3.0
514.20142	7.9
514.27771	0.3
515.20111	0.7
517.18848	0.4
518.19403	1.8
528.21606	0.6
529.22418	100.0
530.22778	9.7
532.21124	1.4
533.21899	2.3
553.10791	0.4
561.25366	0.7
573.21228	1.7
605.24036	1.2
625.81079	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.7
58.69907	2.0
59.01382	12.6
61.92360	1.9
61.98825	3.0
69.58276	11.8
71.01379	8.0
72.99295	2.1
73.32056	1.8
75.00874	5.2
76.01965	1.7
85.02948	3.6
85.78913	2.2
87.00858	3.0
89.02437	3.0
92.79533	1.7
96.95964	2.6
99.00809	1.7
101.02435	4.7
104.53855	1.6
113.02441	5.5
119.04916	3.3
121.02926	5.1
125.02428	7.6
147.04378	2.2
151.61644	1.5
164.24229	1.8
173.04480	2.5
175.03964	7.2
187.02528	3.8
187.11188	2.0
190.06349	3.3
197.11639	2.1
222.05203	2.8
235.07938	2.0
239.37012	1.5
245.59972	1.7
251.07178	2.9
253.08827	2.3
263.07050	3.1
267.06937	2.9
269.08203	9.0
279.06555	5.4
281.08145	6.5
283.09521	2.0
291.06427	3.5
294.08905	5.8
297.07669	33.1
308.10519	2.5
309.07657	36.0
309.11285	12.3
312.10043	30.5
313.10406	2.2
323.09268	5.4
324.10013	26.0
327.12338	100.0
328.12659	6.1
336.97620	2.0
339.12326	82.4
368.80637	1.9
373.00714	2.0
391.52869	1.9
432.74527	1.8
605.24670	20.4
606.25055	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	605.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	92.7
61.98824	14.7
71.01377	45.0
72.99310	4.8
73.02948	35.8
75.00874	11.8
79.48439	4.1
83.01391	12.1
85.02943	17.4
87.00875	6.1
89.02451	13.5
89.63956	4.0
93.03467	5.3
99.00825	4.0
101.02438	41.8
108.02129	5.7
113.02469	21.7
119.03513	5.9
119.05028	5.6
125.02374	6.1
128.76784	3.6
136.01700	8.3
139.39021	3.8
145.02930	6.4
149.04541	5.0
151.03967	14.5
152.01164	8.0
161.04546	7.8
165.05594	9.0
186.10674	4.1
191.03606	5.1
193.05127	4.2
215.10953	4.4
235.07700	3.9
263.07068	9.8
267.07068	4.8
281.08246	21.8
293.08185	8.4
294.09143	5.0
296.10812	4.4
309.07739	86.7
309.11285	6.6
323.09195	13.3
324.10059	42.0
339.12347	100.0
340.12839	6.8
352.71088	4.5
357.13388	10.5
441.34836	4.6
605.22607	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	605.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60988	1.1
59.01366	5.7
61.98827	2.6
64.21447	1.0
67.03322	1.0
69.23874	9.0
71.01377	3.7
85.02930	1.9
87.00908	1.4
96.03571	1.2
96.96024	1.9
101.02461	1.3
113.02442	2.7
115.05033	1.0
116.99567	1.2
121.02975	5.5
124.18522	1.1
125.02451	2.6
139.37804	1.1
147.04489	1.3
149.04498	1.3
152.01163	2.4
163.03923	1.6
175.04050	6.1
190.06300	4.1
221.64169	1.1
222.05312	4.2
235.07520	1.5
239.07167	1.8
251.07065	1.5
253.08757	1.8
261.05435	1.5
263.07059	5.3
267.06735	3.0
269.08264	7.9
279.06628	4.9
280.07285	1.5
281.08252	10.6
282.08734	1.8
283.09619	1.3
291.06793	1.9
292.07346	1.7
293.08188	2.8
294.09155	5.4
296.10590	1.9
297.07672	32.7
297.11041	2.7
298.07996	1.4
308.10571	3.2
309.07669	36.5
309.11316	9.7
310.08145	1.3
312.10010	29.4
323.09256	5.7
324.09967	26.2
325.10690	1.4
327.12347	100.0
328.12726	6.4
339.12344	82.3
340.12631	4.3
426.77310	1.2
561.21716	1.3
605.24670	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	605.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92860	1.4
59.01378	8.8
68.00468	1.4
69.39180	11.0
71.01385	2.1
72.01753	1.2
76.66962	1.4
84.21642	1.9
85.02946	2.8
89.28822	1.6
91.05482	1.4
91.82943	1.3
93.03497	1.4
96.96018	12.1
99.57774	1.2
105.16066	1.2
111.13582	1.4
111.21502	1.3
121.02912	3.6
145.02914	2.3
156.85153	1.5
163.03995	2.9
175.03998	5.5
190.06378	3.3
212.73007	1.7
222.05324	3.3
235.07755	3.0
251.06924	2.1
262.06448	1.4
263.07172	5.0
267.06595	3.0
268.10812	1.6
269.04584	1.7
269.08170	5.5
279.06543	4.6
281.08185	7.1
283.09790	1.9
291.06729	4.0
292.07248	1.6
293.08127	4.0
294.08972	6.4
296.10327	1.6
297.07687	29.6
297.11038	3.0
306.08618	1.7
308.10590	2.4
309.07672	32.7
309.11292	11.0
312.10004	26.1
323.09238	5.4
324.09995	21.8
327.12347	100.0
328.12720	5.3
339.12347	84.5
340.12524	4.8
418.86713	1.4
434.52808	1.4
489.23181	1.5
605.23840	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	603.302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53207	1.3
60.99306	16.8
61.98821	3.9
70.11902	4.0
75.85161	1.7
78.95893	3.9
83.82536	1.4
86.66205	1.8
87.00863	1.7
88.00401	4.7
88.98806	100.0
89.02442	43.1
102.20455	1.5
103.09920	1.4
112.98528	1.5
130.08940	1.7
152.99571	2.6
171.10211	2.6
195.13881	1.8
243.30882	1.4
277.21851	1.6
289.18201	1.8
324.97656	1.6
391.08099	1.8
402.97540	1.6
521.34100	1.6
534.01630	2.0
603.33783	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	604.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43843	1.6
57.03434	2.8
59.01367	2.8
69.03452	3.8
69.99480	2.7
69.99860	2.7
70.02987	2.3
71.01359	4.2
85.02950	41.6
86.02507	1.5
87.04502	4.8
96.00903	1.7
96.04548	100.0
97.02949	4.7
98.02450	1.7
99.00867	4.3
112.04021	4.0
113.02464	2.1
115.04028	2.9
128.03549	7.8
129.01938	11.2
140.03543	3.4
141.01924	3.2
142.01472	12.5
158.04578	35.8
159.02992	4.2
172.02487	2.7
200.05664	2.1
202.03539	15.8
211.40808	1.6
218.06755	4.9
219.05058	4.6
262.05649	62.0
263.05872	2.9
460.31540	1.8
465.84366	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29199	1.4
56.98217	1.1
57.03445	3.3
59.01378	17.5
61.98827	1.6
67.01885	1.8
68.99823	2.1
71.01373	18.2
71.53233	2.4
72.99302	5.4
73.02938	3.8
75.00871	19.8
75.03777	1.1
78.20177	1.2
83.01391	2.7
85.02950	24.5
87.00871	7.7
89.02415	4.6
91.04005	1.3
93.03418	1.8
95.01380	5.0
96.95982	2.2
99.00877	10.3
100.93791	1.2
101.02442	2.5
103.00346	2.7
113.02448	23.9
115.00336	2.3
117.01935	3.2
117.03436	1.9
119.05030	1.6
125.02448	1.6
129.01965	2.6
133.02895	1.7
134.02744	2.8
134.03745	54.8
135.04543	7.0
136.01599	1.2
137.02428	4.8
147.04497	1.5
148.05296	1.5
149.06075	13.6
150.03175	3.5
157.01456	1.7
160.01649	6.7
161.02393	5.5
163.04010	2.1
165.05557	3.8
175.02545	2.4
175.03929	10.5
178.02730	10.2
179.03407	4.3
193.05048	46.9
231.05144	2.8
249.06131	27.7
252.06380	2.4
253.07071	3.2
267.07065	25.7
267.09482	1.8
295.08182	1.4
350.48633	1.3
381.11826	2.7
394.87689	1.3
411.09299	1.8
425.10876	13.1
443.11923	82.2
444.12183	5.4
485.13055	1.7
605.17145	100.0
606.17645	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	603.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	53.9
61.98830	25.4
65.33118	3.6
69.46806	13.5
69.47238	14.1
71.01374	14.6
78.95895	7.4
83.01386	5.1
87.00912	3.8
89.02435	10.0
96.95965	4.5
97.06568	5.0
99.00861	4.9
101.02430	14.0
111.08275	4.3
113.02451	8.0
123.04466	5.8
125.09755	4.1
150.45509	4.0
163.11264	5.8
169.12326	18.2
171.10275	24.4
185.11842	8.6
191.14330	9.5
194.20337	3.5
207.10376	5.5
209.11827	26.4
211.13341	10.3
218.13152	3.8
225.11226	3.9
227.12889	6.9
228.97739	4.3
245.19005	15.9
253.09236	43.4
289.18082	100.0
301.10983	4.0
307.19098	87.4
308.19495	4.7
603.30475	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71896	2.2
57.03433	2.0
59.01108	3.2
59.01375	39.5
61.98816	6.0
68.49750	2.0
69.64228	12.8
71.01366	13.1
79.99064	1.9
83.01392	3.3
85.02909	2.4
89.02424	6.5
97.06610	4.2
98.19984	3.5
98.36660	2.0
101.02460	10.6
113.02433	6.1
123.04520	2.6
125.09698	8.4
132.41103	2.1
137.09689	4.9
159.71211	2.2
161.04533	3.8
163.11226	7.6
165.12750	2.1
171.10231	6.3
179.05632	3.2
185.11806	11.1
191.14386	7.0
194.04445	2.1
207.10242	3.3
209.11810	25.8
211.13379	5.7
225.11327	3.6
227.12842	3.5
237.11264	5.7
245.19067	15.5
253.09254	43.3
263.19983	5.2
283.06061	5.1
289.18088	100.0
290.18469	4.7
291.95032	2.3
307.19122	90.7
308.19449	6.7
445.20566	2.4
496.57083	3.2
543.27539	4.2
603.31171	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	603.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61762	1.1
57.03454	5.3
59.01376	54.1
61.98824	8.2
68.39877	1.1
69.03434	2.7
70.81686	3.3
71.01379	20.1
72.99255	1.2
73.02926	2.0
81.03436	1.3
83.01384	2.3
83.05013	3.3
84.49663	1.1
85.02933	3.1
85.46100	0.9
87.00859	1.6
88.25568	1.0
89.02457	9.4
91.60239	1.2
95.01380	1.3
95.05029	1.7
96.96011	2.6
97.06595	10.3
101.02440	12.7
104.28774	1.0
109.06630	2.6
109.08820	1.1
111.08148	4.3
113.02444	6.5
119.03477	3.3
125.09731	3.3
137.09685	2.0
149.09642	1.5
151.11273	9.9
153.09204	1.9
153.12706	1.4
155.10767	3.9
161.04533	4.1
163.11211	4.0
165.12810	17.5
167.10811	2.0
169.12350	2.8
171.10234	1.8
177.09135	1.5
177.12836	2.6
179.05528	1.5
179.10803	5.2
181.12326	12.2
183.13867	3.1
191.10814	6.4
191.14372	1.8
197.11862	1.4
203.14230	1.3
205.12372	3.4
207.10373	1.6
209.11809	50.9
211.13268	6.0
212.13686	1.9
217.15904	1.3
225.11237	1.8
226.24649	1.2
227.12857	13.8
235.08220	2.3
240.23508	1.1
245.19037	12.1
253.09273	34.6
254.09686	1.3
261.18747	1.4
263.20120	21.7
271.17169	1.6
279.19525	3.5
289.18036	22.3
299.86935	1.2
307.19116	100.0
308.19583	5.3
431.18942	2.0
439.62009	1.2
445.20724	27.1
446.21008	2.9
460.19403	4.1
543.27979	20.9
544.27728	1.6
572.26660	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76782	0.6
56.05674	0.7
61.98830	100.0
68.33474	0.7
68.87749	0.7
69.59374	0.7
69.80016	4.0
84.59988	0.8
92.56062	0.6
131.81410	0.7
171.10172	1.1
192.47401	0.8
197.81367	0.9
198.77376	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.3
60.99303	16.7
61.98827	1.7
66.13480	1.2
67.85663	1.7
70.11226	2.4
70.11623	2.4
70.23997	1.2
75.32294	1.3
87.00887	1.6
88.00397	4.4
88.03961	1.3
88.98804	100.0
89.02442	44.0
98.20277	4.1
138.06406	1.5
154.25951	1.4
162.05609	1.9
246.91908	1.2
384.06979	1.3
401.69446	1.5
603.19946	1.4
606.94794	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.1
59.01377	43.0
61.98846	1.9
69.86039	3.2
71.01388	8.6
73.02969	2.4
80.02693	1.0
81.03482	2.8
83.01385	3.7
83.05059	1.8
85.02977	2.2
87.00914	2.1
89.02437	9.8
89.02929	0.7
95.01379	1.1
95.05040	2.0
95.35686	0.6
96.96034	0.9
97.02976	2.6
97.06583	4.2
98.15074	0.6
101.02431	10.1
108.02209	0.7
109.06634	1.1
111.04518	0.7
113.02419	4.1
113.06059	0.7
119.03520	2.7
121.06625	2.2
123.04507	3.7
123.08176	1.6
125.06100	0.8
125.09715	6.4
135.08226	1.2
137.06050	0.9
137.09737	4.2
141.12895	1.5
142.02788	0.7
149.06081	1.1
160.08838	0.8
161.04524	3.7
161.09773	0.8
163.07648	1.2
163.11278	9.1
165.12857	2.6
171.10315	2.0
179.05603	1.6
179.10727	0.8
181.12367	1.2
185.11812	8.4
189.12881	1.1
191.10812	1.8
191.14409	9.5
207.10324	4.5
209.11800	33.9
210.12225	0.9
211.13446	2.2
217.15929	1.7
225.11375	3.0
227.12885	1.4
235.08357	1.1
237.11293	4.5
243.17395	0.9
245.19067	19.3
246.19514	0.9
253.09270	41.3
259.13522	0.7
263.20117	4.0
271.17093	2.5
289.18082	100.0
290.18356	5.2
307.19125	97.8
308.19403	4.6
445.20618	1.1
543.27930	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	600.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68216	0.5
61.34068	0.5
61.98828	100.0
70.35572	2.1
103.81856	0.6
119.72527	0.6
126.03365	0.6
129.52090	0.7
225.76135	0.7
407.58737	0.6
498.13843	0.8
568.18591	0.8
600.21704	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	600.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75183	0.8
51.56340	0.9
54.52205	0.9
59.83508	0.9
61.98828	100.0
70.66105	1.2
70.66452	2.5
98.20503	1.1
124.39216	1.0
147.65929	1.0
171.10300	1.8
251.21701	0.9
264.38455	1.0
279.23160	1.1
363.77289	1.3
428.26584	1.2
567.60431	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38954	0.4
61.98827	100.0
67.50826	0.5
78.77427	0.5
82.14338	0.5
105.40386	0.7
119.43399	0.5
165.63231	0.5
171.10347	0.6
172.24573	0.5
190.02516	0.5
229.17201	0.5
271.57275	0.5
622.26959	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	599.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
59.01384	3.3
61.98827	28.9
65.00327	0.8
68.24190	0.6
69.03428	0.5
71.01379	2.3
71.53381	0.9
72.99303	0.8
73.02943	1.4
74.47408	0.5
75.00872	1.1
83.01390	1.1
84.19824	0.5
85.02950	2.2
89.02442	0.8
93.03455	0.6
95.01386	1.0
96.96001	0.9
99.00855	0.6
101.02443	0.8
107.01374	0.9
108.02171	49.8
109.02961	13.1
113.02441	1.2
121.02953	2.2
123.00887	1.3
123.04562	0.9
128.03595	1.0
137.09708	1.4
145.02937	0.6
149.02438	0.9
151.00377	3.4
151.04001	1.6
152.01147	94.4
153.01933	4.7
155.10777	16.2
163.03987	2.9
165.05605	1.0
177.01894	0.6
178.99834	2.0
179.03484	0.8
199.09732	3.2
211.05977	0.6
214.06921	0.6
241.07146	3.3
245.04655	0.6
267.04739	0.6
285.06119	1.9
301.03494	9.8
322.52777	0.6
351.21497	1.3
373.11404	1.8
399.09305	10.0
400.09814	0.7
417.10330	19.7
418.10651	1.5
457.26385	0.7
555.20776	1.7
556.30231	1.1
599.19708	100.0
600.20093	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	597.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09071	1.8
57.72432	1.8
59.01377	100.0
61.98816	5.5
65.63364	2.0
67.05363	1.7
70.45746	4.3
70.46097	4.2
71.01380	16.0
78.95896	3.5
81.90773	2.2
89.02441	33.1
101.02448	10.6
113.02470	10.7
119.03499	13.2
123.62424	2.3
143.03482	3.8
149.85818	2.2
161.04529	3.9
179.05656	11.0
195.13879	9.9
223.13240	5.0
275.20050	5.2
280.23746	3.0
293.21194	74.6
294.21613	3.5
317.21323	2.5
340.20349	2.2
438.09546	2.8
597.20337	4.4
597.29553	10.5
598.21179	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	597.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	48.9
66.86140	1.1
67.99541	1.1
71.01363	4.4
72.99325	1.5
73.02953	3.1
85.02943	3.4
85.90585	1.3
86.65106	1.3
87.00889	7.9
87.38831	1.3
93.03423	2.5
97.02972	1.2
98.20757	2.4
99.00865	2.9
100.01665	1.5
101.02418	2.2
111.00853	6.5
112.98784	1.6
113.02415	1.9
118.96953	1.2
121.02975	6.5
122.03719	9.1
122.35155	1.2
123.00894	3.9
133.02878	1.8
137.02461	1.6
142.99834	2.4
146.03735	7.1
147.59798	1.1
149.01292	2.3
149.02434	40.9
150.03220	77.8
151.03946	3.6
151.93265	1.3
161.02385	1.5
162.03279	1.3
163.03978	2.5
164.04781	16.5
165.05554	100.0
166.02644	2.6
166.05927	2.5
173.00920	2.8
174.01665	2.1
175.03908	1.4
176.04744	2.6
178.06339	1.6
179.03481	1.7
179.07114	14.5
180.04251	6.4
181.05054	4.0
191.03445	3.3
193.08672	1.3
194.05684	2.0
195.06615	63.0
205.05058	1.5
206.05751	1.6
209.08188	2.7
221.08115	3.5
229.49075	1.3
247.02567	2.8
247.05949	2.0
262.04803	2.7
264.06281	2.4
265.07047	2.9
266.07776	1.8
277.07162	8.2
281.08792	1.4
283.09555	1.6
295.08157	2.1
297.07581	2.0
312.10022	17.7
327.12332	78.4
328.12610	4.9
337.09161	16.8
375.14441	30.0
376.14590	2.8
421.82336	1.2
461.14337	14.5
521.16327	1.9
533.16693	2.4
552.43524	1.3
579.16718	7.1
597.18158	61.5
598.18683	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	597.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33482	0.8
57.03438	1.8
59.01375	8.1
59.59014	0.9
61.98814	4.0
61.99089	0.7
67.01873	0.7
68.99776	0.9
69.03447	1.7
71.01369	3.7
71.53410	1.5
73.02943	1.8
73.56948	0.8
75.00873	5.9
81.03466	9.0
83.01385	6.2
85.02934	3.6
89.02425	1.5
93.03458	6.3
95.01353	2.6
95.05015	3.8
97.02948	3.8
99.00847	1.5
99.04505	2.9
101.02425	2.7
107.05040	2.1
108.02177	2.9
109.02937	3.8
111.04484	2.1
113.02436	2.6
115.00359	0.9
117.69768	0.8
119.05025	11.0
121.02940	3.4
121.06594	1.5
122.03735	1.7
123.00877	1.6
123.04523	18.8
124.01694	1.3
125.02448	13.6
135.04495	3.9
137.02435	4.2
137.06052	6.4
139.03989	10.0
145.02890	1.6
147.04485	3.3
149.02414	2.6
149.06041	1.7
149.99568	1.4
150.03183	1.5
151.03973	2.5
152.01158	4.3
153.05576	2.4
155.03471	1.5
159.04443	1.1
161.06033	2.0
163.03986	4.9
163.07741	1.4
164.29796	1.0
165.01888	2.9
165.05576	6.9
166.02644	1.4
167.03493	38.2
168.00652	2.6
168.03815	1.2
175.03839	0.9
177.05540	2.1
179.03505	8.1
179.07121	2.4
180.04208	1.7
181.05034	3.4
185.54048	0.9
189.05560	9.0
191.03421	3.5
193.05040	5.2
195.06645	2.0
197.04543	6.2
203.03491	0.9
205.05028	1.2
207.06519	1.8
209.04541	29.4
220.09888	1.1
221.04544	4.8
229.08690	1.6
233.04483	1.9
235.06110	1.0
239.05592	8.4
251.05612	3.1
255.02858	1.0
256.03357	1.5
257.03519	1.1
263.05746	1.5
269.06506	1.6
273.07678	21.9
274.08057	1.0
281.06754	0.9
285.03830	2.5
285.07663	2.1
286.03970	2.0
287.04559	2.2
288.04208	1.1
297.07742	2.0
315.08707	17.5
327.08743	6.8
341.10321	1.0
345.09692	7.0
354.07016	1.0
357.09772	100.0
358.10028	3.8
369.09772	3.2
371.11316	1.3
387.10837	73.7
388.11057	2.9
392.18008	1.8
399.10626	3.9
417.06262	1.1
417.11874	22.5
429.11920	2.0
435.13028	7.3
441.11514	1.5
459.12790	10.2
477.14017	22.5
478.14261	1.6
489.13977	7.1
507.15063	3.3
579.17010	1.8
597.17413	19.3
598.17578	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	25.5
64.42430	1.1
71.01386	5.9
71.52896	1.7
72.99284	1.1
73.02930	4.3
73.84446	1.2
75.00841	1.5
75.08840	1.0
78.72287	1.5
83.01388	1.9
85.02940	2.0
87.00877	9.4
89.02418	1.4
93.03436	2.1
99.00859	2.4
100.01640	1.2
101.02450	2.9
111.00867	8.2
112.98788	3.5
113.02434	1.9
121.02925	6.0
122.03792	8.8
123.00868	3.0
123.31770	1.2
125.02380	1.5
131.03484	1.4
133.03011	2.0
136.01657	2.7
142.99826	2.6
145.01338	1.6
146.03712	3.2
147.04491	1.4
149.02425	29.1
150.03224	85.6
151.00354	1.9
151.03899	4.6
161.02463	2.5
163.04021	2.2
164.04774	11.8
165.05556	100.0
166.02684	3.8
166.05901	3.0
172.86749	1.1
173.00923	3.4
174.01675	3.8
174.03030	1.1
175.03954	1.6
176.04659	2.5
178.06400	1.1
179.03470	3.2
179.07143	10.9
180.04277	9.1
181.05043	4.8
183.88008	1.1
191.03415	2.6
191.07143	1.3
193.08681	1.9
194.05821	4.3
195.06624	56.1
196.06898	1.2
203.03592	1.4
205.04927	2.8
206.05823	1.8
209.04529	1.5
209.08102	3.4
219.02959	2.4
221.08090	3.2
233.08253	1.3
234.05299	1.9
235.02327	1.2
243.01804	1.1
247.02515	2.6
249.04172	1.2
261.03940	3.4
262.04703	6.0
264.06329	2.8
265.07083	3.4
276.06366	2.5
277.07162	8.9
312.10007	8.9
327.12338	36.5
337.09283	24.7
356.71738	1.1
375.14413	14.5
461.14621	20.9
469.11716	1.2
473.14316	2.1
521.17035	2.1
533.16583	3.5
579.17194	12.1
597.18201	82.2
598.18610	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	597.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51318	0.7
57.03451	1.0
59.01376	5.0
59.45406	0.7
71.01378	7.5
71.29726	1.3
72.99310	1.3
73.02950	3.7
75.00864	1.3
83.01385	1.8
83.04845	0.7
85.02933	3.7
87.00874	19.0
89.02441	2.2
93.03438	2.2
95.01373	1.0
96.95992	0.7
97.02871	0.8
99.00871	3.4
100.01670	4.2
100.02498	0.7
101.02427	2.9
101.69779	0.8
109.02959	2.3
109.46633	0.7
111.00888	12.0
112.98779	3.2
113.02554	0.9
121.02943	2.9
122.03740	7.0
123.00879	4.1
123.04527	1.1
125.02422	0.8
127.04010	1.0
130.02711	0.8
131.03502	0.9
133.02962	1.4
136.01642	1.1
138.03242	1.0
142.99844	2.2
147.02946	0.8
147.04527	1.6
149.02431	20.0
149.04492	1.6
150.03221	69.3
151.00319	1.7
151.04021	6.2
153.01991	1.2
153.05609	1.1
161.02431	4.2
163.03975	2.5
164.04803	9.3
165.05559	79.7
166.02689	3.8
166.05928	1.8
173.00912	4.4
173.02187	0.9
174.01634	1.8
175.03978	2.4
176.04721	2.8
176.54767	0.7
177.01826	0.8
177.03441	0.7
178.06337	1.6
179.03510	4.4
179.05739	0.8
179.07069	5.0
180.04245	6.1
181.05054	5.3
188.04718	0.9
189.01941	0.9
189.05539	0.9
190.02625	1.3
191.03441	4.8
191.07062	2.5
193.04982	1.1
193.08618	1.8
194.05815	5.0
195.06613	32.8
203.03462	1.0
205.05023	3.3
206.05743	2.8
209.08173	6.0
217.01157	0.8
219.02922	1.8
219.06584	1.5
221.04778	0.8
221.08167	5.5
234.05215	2.3
246.01404	1.0
247.02457	2.8
249.03951	1.2
249.07628	3.1
259.06198	1.0
261.03964	3.0
261.06769	0.9
262.04810	5.5
263.05573	1.2
264.06290	3.6
265.07220	4.4
266.08023	0.8
276.06274	2.7
277.07147	8.9
280.42303	0.8
291.08752	1.2
297.11307	1.8
322.07037	1.6
327.12296	1.1
337.09241	27.3
339.08783	1.1
345.13388	0.8
357.13333	1.9
369.13397	5.8
375.14282	1.2
413.12241	3.3
425.12421	1.6
443.13293	2.5
443.19629	1.0
461.14523	24.4
472.38696	0.8
473.14438	2.3
485.14301	2.0
491.15726	1.0
503.15891	1.2
521.16638	2.7
531.14661	1.4
533.16626	7.2
537.25787	3.8
579.17108	16.6
580.17261	1.3
597.18127	100.0
598.18256	6.6
622.91827	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1822
Annotation	Phloretin 3',5'-Di-C-glucoside
Peak:m/z	Relative Intensity
53.02493	0.8
55.87870	0.8
56.64943	0.7
59.01373	3.9
69.03439	1.1
70.73249	1.9
70.73572	1.0
71.01386	4.5
72.99325	1.3
73.02935	2.9
81.03440	1.1
83.01369	3.0
85.02955	1.8
87.00866	21.0
93.03456	2.0
97.02947	1.8
99.00894	1.9
100.01643	1.6
101.02417	2.7
109.02972	1.2
111.00881	26.5
113.37878	0.8
119.05035	1.4
121.02940	2.4
122.03720	8.0
123.00902	1.1
123.04511	2.0
125.02428	2.0
127.04021	1.0
129.01921	1.1
131.03459	1.6
131.28009	0.8
133.02867	1.0
134.03712	1.1
135.04510	1.1
137.02417	1.3
138.03198	1.3
142.99899	0.9
144.09430	0.8
147.03003	1.8
149.02435	16.5
150.03214	62.9
151.00327	1.1
151.04037	6.3
153.38979	0.7
161.02403	1.6
163.04015	2.3
164.04784	9.4
165.05557	61.8
166.02679	2.8
166.05989	0.9
173.00891	1.8
174.01643	1.2
175.02411	1.1
176.04729	2.4
177.01959	1.9
178.06311	1.1
179.03500	4.6
179.07106	8.0
180.04272	3.6
181.05017	3.7
189.05493	0.9
190.02733	1.4
191.01878	1.9
191.03439	1.9
191.07152	2.2
192.04309	1.5
193.08687	1.1
194.05791	4.1
195.06598	22.6
203.03508	1.3
205.05013	2.5
205.13634	0.9
206.05714	1.3
207.02922	0.9
209.08163	5.5
219.02924	1.3
219.06718	0.9
221.08202	1.5
231.02867	1.0
234.05312	2.7
249.04004	3.0
249.07660	4.2
250.04779	0.9
264.06387	7.9
265.07181	5.4
277.07071	1.8
279.08636	1.8
291.08517	1.4
325.14948	0.8
337.09262	8.7
357.13626	2.0
369.13501	1.1
385.12714	1.2
397.13025	1.1
400.09933	1.4
413.12323	4.4
456.46286	0.8
461.14493	39.2
462.14767	1.7
470.21292	0.8
473.14651	1.4
487.16156	2.5
491.14703	0.9
505.17139	1.3
521.16925	4.2
533.16266	2.0
547.77771	0.8
567.30280	0.8
579.17322	10.0
597.18207	100.0
598.18518	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	595.2885
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
56.93143	0.5
56.93405	0.5
61.98819	0.5
70.70572	0.5
70.70904	1.0
74.07652	0.4
78.95898	63.1
80.43205	0.4
81.73438	0.5
96.96957	12.0
116.66114	0.4
131.58609	0.4
148.96439	0.5
150.98015	1.1
152.99574	92.0
153.99899	0.7
163.27025	0.4
171.00636	3.0
209.11818	4.6
223.00108	9.7
234.61372	0.5
241.01163	23.6
242.01492	0.4
259.02176	1.6
268.50574	0.5
279.23267	62.5
280.23572	3.7
311.22137	1.5
315.04828	14.4
333.05737	1.2
492.90402	0.5
521.36237	0.6
595.28833	100.0
596.29095	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	595.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44587	1.3
55.01899	2.2
57.03438	5.6
58.00579	1.7
59.01380	100.0
61.98832	2.6
62.73842	1.5
70.21140	2.1
70.21510	2.5
71.01380	46.0
72.99313	2.8
73.02943	3.6
75.00873	4.7
76.76855	1.3
83.01398	5.4
85.02955	15.6
87.00874	3.6
87.04559	1.4
89.02444	44.0
95.01378	3.9
96.96011	4.7
99.00876	2.8
101.02452	22.6
109.02957	1.6
111.00866	2.4
113.02446	22.3
119.03503	19.0
119.04989	1.5
121.02939	4.2
124.01696	2.1
125.02412	6.7
129.01962	1.9
131.03484	2.2
134.03752	1.4
135.04556	3.0
137.02438	2.1
143.03511	6.5
145.02893	2.4
147.50229	1.4
149.04575	1.7
151.00325	4.8
152.01123	3.0
161.04546	4.3
179.05629	8.0
179.07051	1.7
205.12558	1.5
213.15042	3.5
241.04921	2.2
241.14438	5.1
249.22786	1.3
257.08066	1.9
269.04498	11.7
271.02411	3.2
271.09802	1.4
300.02765	4.8
301.03607	1.5
319.08102	2.2
329.06546	2.2
343.11557	1.7
355.11899	4.4
356.20972	1.7
373.25980	1.4
447.18930	1.6
477.23163	5.9
535.27289	78.1
536.28143	4.8
551.13788	1.9
551.22437	5.4
553.28827	1.7
595.14282	5.7
595.23419	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	594.11
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	18.6
61.41632	0.5
61.98829	75.9
62.49851	0.5
71.01375	3.8
71.53403	1.1
72.06026	0.6
73.02946	1.9
75.00878	1.0
78.95907	1.2
83.01378	1.1
85.02953	2.2
86.01804	0.6
87.00890	0.9
88.98827	1.4
89.02451	1.9
90.17157	0.5
99.00932	0.8
101.02456	2.2
104.54102	0.5
111.97034	0.5
113.02460	2.2
135.79205	0.6
145.02991	0.6
175.02325	0.6
179.20055	0.5
224.81044	0.5
240.04362	0.9
267.06549	0.8
268.03745	45.9
269.03983	3.1
278.05655	0.7
283.06104	100.0
284.03452	1.0
284.06464	5.6
285.03928	6.0
286.04300	5.5
325.07126	1.8
345.29895	1.1
374.70758	0.6
431.20712	0.7
489.34235	6.3
490.34610	3.2
507.35394	2.0
533.30225	0.8
534.29456	0.7
594.15509	5.7
594.30103	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1665
Annotation	5,7,2',5'-Tetrahydroxyflavanone 7-O-rutinoside
Peak:m/z	Relative Intensity
57.03441	5.6
58.61787	0.6
59.01158	0.8
59.01375	3.7
65.00314	3.5
69.03497	0.7
70.20861	1.2
70.21252	1.6
71.01408	2.9
75.00904	1.4
81.03451	4.3
83.01380	7.0
85.02986	1.8
87.00895	1.1
89.02469	1.1
89.83956	0.6
93.03447	5.4
95.01397	1.6
96.96056	1.0
97.02958	1.4
99.00885	1.0
103.12608	0.6
107.01372	4.7
107.56365	0.8
109.03007	2.1
111.00951	1.1
113.02478	2.2
121.02969	2.0
123.04550	2.1
124.01630	3.2
125.02443	55.2
126.02840	0.7
131.05002	0.7
133.02946	3.3
137.02457	2.0
139.04019	2.5
149.02458	3.0
150.03168	0.7
151.00363	14.9
151.01596	1.0
152.01137	6.4
153.01929	12.5
157.06641	1.4
158.03691	1.0
159.04512	1.1
163.00417	0.8
165.01939	2.0
165.04004	0.9
167.03500	2.8
169.01521	1.0
171.04530	0.9
172.05280	4.7
173.06076	9.6
175.00365	1.1
175.04033	2.7
176.01138	1.1
177.01906	1.3
177.05592	3.1
177.77342	0.8
178.99857	10.7
179.94881	0.7
181.01416	2.7
187.07684	1.0
197.06140	1.1
199.03935	0.9
199.07668	2.3
200.04797	1.2
201.05537	4.8
203.03481	0.9
213.05582	0.9
215.07120	14.4
219.06807	1.1
241.04997	2.4
243.02925	1.4
243.04213	1.0
243.06563	10.4
255.06505	1.6
259.06085	99.1
260.06421	3.1
265.04990	1.1
267.07315	0.7
269.04587	9.0
272.04404	0.7
273.07611	1.0
274.62006	0.7
283.06155	13.9
285.04059	0.7
287.05597	100.0
288.05893	4.3
301.07144	7.6
311.05536	2.4
313.07233	1.6
377.89246	0.7
415.19604	1.0
567.17139	33.8
568.17133	2.3
577.15240	1.0
595.16315	38.3
596.16840	2.5
606.81158	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66224	0.5
52.69210	0.5
53.68458	0.5
59.01376	10.9
60.01703	0.8
61.98828	100.0
63.06691	0.6
69.52716	2.5
71.01382	2.3
71.78401	0.5
73.02942	1.1
75.00871	0.6
83.01428	0.8
85.02971	1.4
89.02406	0.6
89.94550	0.5
101.02463	1.2
113.02457	1.1
125.09740	0.8
164.10609	0.4
171.10114	0.5
197.11736	0.8
199.40967	0.5
210.06889	0.5
239.03450	1.9
240.04216	1.0
241.14391	1.8
244.81253	0.6
267.02942	2.0
268.03738	28.7
269.04041	1.2
283.06104	78.1
284.03622	0.8
284.06323	3.0
285.03964	4.8
286.04395	4.9
489.34030	4.1
490.34708	2.2
507.35556	1.5
508.34985	0.8
515.74109	0.6
594.15485	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	593.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
59.01378	100.0
60.01696	1.0
61.98837	7.0
69.03444	1.1
71.01017	1.3
71.01382	16.3
71.19971	1.5
73.02943	5.4
75.00878	1.3
78.95898	1.6
83.01378	5.2
85.02955	9.2
87.00851	2.8
88.98789	1.2
89.02429	1.7
95.01382	2.5
99.00861	2.6
101.02441	9.0
111.00856	1.2
113.02459	6.6
125.02392	1.6
133.02916	2.6
134.03728	0.8
143.00826	1.0
143.03452	1.3
149.02519	1.0
161.04562	1.7
175.03923	1.3
199.03938	1.4
233.67787	1.1
268.03690	1.5
269.04172	1.1
270.04239	0.9
283.06082	1.9
284.03311	9.5
284.06198	1.4
285.04025	60.2
286.04346	3.7
299.25848	2.0
345.30167	6.5
378.51111	0.9
400.86780	1.0
441.31747	1.3
489.34302	78.9
490.34650	5.7
507.35306	24.1
508.35577	1.6
533.29382	1.2
549.36505	6.3
550.37122	1.1
593.15002	33.6
594.15454	3.3
621.04535	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.0
55.96110	0.8
57.03439	2.3
57.52279	0.9
59.01377	100.0
60.01723	0.9
61.98827	17.2
69.49788	1.4
69.50195	5.0
71.01009	1.5
71.01377	19.7
72.99284	0.9
73.02943	7.5
75.00874	4.7
82.54784	0.8
83.01402	4.6
85.02953	12.0
87.00883	1.4
88.98810	2.4
89.02458	4.4
95.01392	2.0
96.96037	1.6
97.02932	1.5
99.00883	2.8
101.02441	12.2
102.51611	0.8
107.01392	1.0
109.89397	0.8
111.57246	0.8
113.02444	11.7
119.03490	2.0
121.02956	1.1
123.04453	1.0
125.02406	2.5
133.02936	2.1
135.04535	0.9
143.03493	3.1
149.02499	1.3
149.04466	1.0
150.03165	1.1
151.00337	2.1
161.04573	4.1
163.03951	1.4
165.05554	0.9
175.03938	1.2
219.25461	0.9
233.06773	0.9
268.03586	1.4
269.04053	1.0
270.04321	1.7
283.06125	2.5
284.03201	8.6
284.06467	2.0
285.04016	53.5
286.04349	3.1
299.25986	2.5
345.30176	6.1
489.34262	54.0
490.34589	4.3
507.35275	17.2
508.35449	1.7
533.30347	4.1
549.25775	1.5
549.36053	3.8
593.15057	30.1
593.29315	1.1
594.15161	4.3
594.29352	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.6
58.97843	1.3
59.01379	56.5
61.98827	70.2
71.01387	9.1
71.53300	1.6
73.02962	4.2
75.00892	3.5
78.95911	2.1
83.01398	2.1
84.80257	1.3
85.02949	6.3
88.98807	1.9
89.02463	5.2
90.87357	1.6
92.42723	1.2
101.02455	7.7
107.01408	1.6
109.02990	1.9
113.02436	6.5
125.09695	2.0
131.32413	1.4
133.02991	3.8
135.04517	1.5
149.02411	1.9
151.00346	3.1
161.04539	1.7
187.09705	1.7
199.04135	2.1
227.03427	2.3
240.04454	1.7
258.77594	1.5
268.00980	3.1
268.03766	51.2
268.06668	3.3
269.04224	2.6
270.04410	3.5
273.79669	1.3
274.76328	1.7
281.04526	1.7
283.06104	100.0
284.03284	14.4
284.06433	4.6
285.04010	80.8
285.06662	4.7
286.04373	7.7
299.26004	1.9
345.30206	2.6
397.81790	1.6
450.94592	1.7
489.34351	27.4
490.34979	1.7
507.35480	7.3
533.26721	1.6
593.15118	50.5
593.28912	2.7
594.15820	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	593.273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80915	0.7
53.10728	0.7
54.95390	0.6
56.00564	0.7
57.33482	0.7
59.01366	1.2
61.98832	3.6
62.10585	0.6
66.71539	0.7
69.27766	0.7
71.00742	1.8
73.13082	0.6
78.95901	63.9
83.05023	0.7
88.09982	0.7
96.96953	13.1
121.02990	1.1
125.09711	0.7
133.02881	0.9
152.99579	51.6
209.11794	5.3
223.00034	1.7
227.12761	0.8
241.01170	29.6
277.21695	44.9
278.22101	2.2
284.03101	2.1
285.04044	20.0
290.52164	0.8
298.40881	0.8
315.04889	8.1
317.94495	0.8
363.92145	0.7
401.72888	0.7
413.20963	4.7
592.80371	0.9
593.15460	8.3
593.27258	100.0
594.15533	0.8
594.17773	1.1
594.27313	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	593.245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35263	0.6
55.01854	1.1
57.03427	2.5
59.01381	16.7
60.02340	0.9
60.99295	2.0
61.98543	1.0
61.98824	14.7
63.46189	0.7
67.01858	1.0
71.01019	1.5
71.01376	20.7
72.99306	6.0
73.02954	4.0
75.00867	11.4
75.14825	0.8
83.01386	1.4
85.02953	16.1
87.00869	10.1
88.98804	14.7
89.02436	20.6
93.12984	0.8
95.01324	3.1
96.95988	1.4
98.10352	0.7
99.00877	7.4
101.02397	3.4
103.00312	1.6
103.94835	0.8
109.02934	0.9
111.08135	1.3
113.02450	15.0
115.00352	1.7
117.01878	3.0
123.00880	0.8
123.04366	0.8
125.02410	1.5
129.01924	1.9
133.02890	1.7
133.05066	28.5
139.00281	0.9
142.47289	0.8
145.02855	1.1
149.05969	1.0
151.00288	2.5
157.01360	1.3
165.12840	10.0
171.73868	1.0
175.02386	2.2
175.03851	0.9
183.13890	48.9
184.14134	1.6
193.03481	2.9
209.11710	2.6
227.12871	5.7
231.05061	1.5
249.06149	10.3
267.07263	1.6
268.03735	4.6
269.03986	3.7
270.04184	3.4
271.09689	1.6
283.06165	7.5
284.03104	7.6
284.06326	7.6
285.03992	36.8
285.06714	5.1
286.04218	2.2
383.11874	6.2
415.19333	0.9
459.18649	4.3
477.19666	8.9
489.30466	1.5
533.29395	3.1
549.21716	3.5
575.23773	1.0
593.14807	20.4
593.24176	100.0
594.14905	3.2
594.24542	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	593.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42753	0.4
59.01363	0.6
63.02396	0.6
65.00297	0.4
69.42632	1.3
69.43054	1.2
75.00872	0.6
82.79729	0.3
83.01402	0.8
85.02898	0.3
93.03441	1.1
107.01376	2.3
109.02918	0.7
111.92186	0.4
113.02461	0.4
117.03448	0.5
119.04999	0.3
133.02966	1.7
135.00867	1.3
143.05048	0.3
145.02933	0.9
147.04495	0.3
149.02463	0.5
151.00356	3.0
154.04185	0.4
157.06454	0.5
159.04471	1.2
163.00343	2.0
163.03975	0.5
164.01093	0.4
165.01920	0.4
167.04922	0.5
168.76881	0.3
169.06511	0.4
171.04480	0.9
175.04005	0.7
183.04541	0.6
185.06100	2.1
187.03963	2.5
189.05531	0.8
195.04384	0.6
197.05936	0.8
199.03957	1.6
201.05557	0.6
211.03987	2.2
212.04689	0.5
213.05536	1.2
224.02254	0.3
227.03479	24.6
228.03923	1.3
229.05019	10.3
230.05273	0.4
239.03474	1.4
240.04175	0.9
241.05074	1.7
243.02974	0.4
255.02969	44.3
256.03641	4.5
257.04535	4.6
267.03040	0.8
284.03247	54.2
285.04007	100.0
286.04337	4.3
297.03964	0.4
327.05066	0.9
491.12271	0.4
567.95197	0.4
593.15161	94.8
594.15540	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	593.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64474	0.3
51.31338	0.3
59.01370	0.7
63.02387	0.7
65.00320	0.5
68.50706	0.3
69.31410	2.7
83.01377	0.6
85.02944	0.5
93.03432	0.5
93.60013	0.3
102.43453	0.3
107.01387	1.9
109.03014	0.4
121.03006	0.4
132.02138	0.8
133.02910	2.0
135.00963	0.4
143.04973	0.4
149.02438	0.9
151.00351	3.7
154.04324	0.4
163.00319	0.6
171.04518	0.4
175.03979	1.1
183.04468	0.6
185.06075	1.1
187.04012	1.3
189.05554	0.6
199.03957	1.6
201.02005	0.4
211.03889	1.8
213.05525	0.9
214.07764	0.4
217.05157	0.5
223.03947	0.4
227.03481	22.0
228.03888	1.1
229.05081	3.0
239.03494	0.8
241.04945	0.9
255.02971	39.6
256.03622	5.1
257.04532	1.9
283.02496	0.6
284.03241	66.4
285.04007	73.0
286.04352	3.1
327.04974	0.9
333.23401	0.4
549.22009	1.0
556.81726	0.3
593.15057	100.0
594.15308	8.9
604.40662	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	9.8
59.01369	4.0
61.98818	1.0
69.03442	0.8
69.42280	4.9
71.01370	3.0
73.02921	1.4
75.00886	0.9
81.03467	0.8
85.02945	2.8
89.02415	1.5
89.03963	0.9
96.95990	1.8
99.04498	2.9
101.02425	3.0
107.01368	1.4
108.02172	44.4
108.02918	2.1
109.02962	16.7
113.02377	1.6
116.68300	0.9
117.03438	2.8
119.05026	4.8
121.02929	1.0
125.02484	1.3
133.02934	2.7
134.02733	1.3
134.03734	21.9
135.04517	5.3
141.01923	2.0
145.02968	9.7
148.10550	0.8
149.06075	1.9
151.00140	1.0
151.04044	1.6
152.01143	85.7
153.01973	4.9
160.01675	2.8
161.02399	3.2
161.04497	1.9
163.04013	7.4
175.03954	3.6
177.91931	0.8
179.03474	6.2
187.04024	1.0
193.05060	9.3
241.07153	1.8
255.02831	1.7
283.06131	0.9
284.03281	16.5
285.03955	37.9
286.04370	1.0
299.05551	9.3
329.10507	1.2
340.14905	0.9
344.12573	2.2
345.13568	1.5
399.09311	12.2
414.31885	0.8
417.10382	31.7
418.10565	1.3
449.10730	3.1
449.17798	2.1
491.11942	2.1
501.20959	1.3
531.22443	2.4
549.21649	2.3
593.15045	100.0
594.15619	10.9
601.90881	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1508
Annotation	6,8-Di-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
53.65580	0.4
59.01372	3.6
71.01374	2.7
71.52834	0.7
73.02921	0.6
75.00852	1.1
83.01380	0.9
85.02947	1.6
89.02417	1.0
93.03438	1.6
95.54430	0.4
96.96001	0.5
101.02426	1.1
107.01334	0.5
111.00870	0.6
113.02443	1.4
117.03452	5.3
119.04986	1.1
121.02950	0.7
125.02436	0.7
135.04477	2.4
147.04509	0.7
149.02397	1.1
159.04417	0.6
161.02417	2.5
163.03960	1.5
173.06015	0.5
175.03979	1.5
177.01865	1.0
177.05498	1.5
187.03935	0.7
189.01920	0.6
189.05583	0.6
191.03502	1.4
197.06061	0.5
203.03503	1.2
205.01250	0.5
205.05104	1.0
209.05937	0.5
224.08389	0.7
233.04572	0.6
237.05649	0.5
251.07138	0.7
267.06741	0.8
268.07370	0.8
281.04425	1.1
282.05280	2.0
283.05978	2.3
284.03485	0.5
285.03900	3.0
295.06137	4.0
296.06857	2.9
297.07669	19.8
298.08133	0.9
307.06207	1.7
308.06644	0.5
309.07632	2.0
311.05685	2.8
314.04434	0.6
323.05515	3.6
324.06238	0.6
325.07144	8.6
326.07614	0.6
328.05978	3.2
335.05392	1.8
337.07123	2.7
341.06351	0.5
351.05219	0.5
353.06644	41.3
354.06909	2.6
355.08182	0.8
356.05191	1.1
365.06665	4.5
366.06830	0.5
383.07703	24.9
384.08038	1.8
387.10733	0.9
395.07596	3.2
407.07867	0.5
413.09064	2.1
425.08624	1.2
455.10330	0.6
473.10846	9.6
474.10248	0.6
503.11948	2.8
533.25970	1.3
549.21851	0.7
551.27374	0.7
575.13885	0.7
593.15045	100.0
594.15417	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	592.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.23078	1.4
74.80609	0.2
74.88580	0.1
75.90850	0.2
79.95727	0.4
80.96511	0.8
94.98098	0.2
98.20751	0.3
225.00787	0.2
285.04071	0.8
592.25146	0.2
593.15680	0.6
593.26678	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01185	0.3
59.01440	0.6
63.02483	0.9
65.00395	0.5
68.33020	0.2
70.02272	0.8
71.01466	1.6
72.06921	0.2
75.00967	0.7
79.77830	0.2
81.02293	0.2
81.34802	0.3
83.01493	0.6
83.32710	0.2
85.03059	1.2
87.01013	0.3
89.02505	0.3
95.01477	0.3
99.00935	0.3
105.03529	0.4
107.01395	1.8
109.03063	0.9
113.02550	0.7
119.05135	0.3
121.03049	0.4
133.02953	5.4
135.04536	0.2
145.02945	0.3
149.02461	1.5
151.00359	3.5
151.04070	0.3
157.06639	0.3
167.05063	0.3
171.04567	0.4
173.06183	0.4
175.04025	2.1
177.02034	0.6
185.06116	0.5
187.04048	0.3
197.05997	0.3
199.04028	1.8
201.01929	0.5
211.04024	0.3
213.05638	0.7
215.03586	0.7
217.05070	1.2
219.02950	0.2
223.04243	0.3
227.03403	1.2
229.05029	0.7
234.59068	0.3
239.03481	0.3
241.05096	0.7
243.03096	0.8
255.02986	2.6
256.03662	0.6
257.04510	0.5
284.03262	8.1
285.04028	100.0
286.04352	4.8
307.06668	0.5
327.05096	0.3
417.08032	1.1
531.11090	0.3
575.10138	0.6
593.11182	39.6
594.11316	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77807	0.4
60.87053	0.4
61.03165	0.4
62.51305	0.3
63.02413	0.9
65.00330	0.9
68.49893	0.3
69.87226	1.1
69.87640	0.7
82.51394	0.3
83.01414	0.4
98.20738	0.5
102.39738	0.4
105.03426	0.4
107.01391	1.9
108.60801	0.3
109.02957	0.6
112.42590	0.3
121.02964	0.7
133.02962	4.5
149.02440	1.9
151.00383	3.7
169.50499	0.3
171.04501	0.3
175.03954	1.7
177.82480	0.4
199.03999	1.8
201.02022	0.6
213.05530	0.7
217.05055	1.0
227.03398	0.5
241.05003	0.8
243.03008	0.4
256.03775	1.2
257.04517	0.5
266.27594	0.4
284.03262	15.3
285.04028	100.0
286.04376	3.7
337.16376	0.4
371.29095	0.4
432.10840	0.4
545.29120	0.4
593.15063	69.9
594.15436	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	592.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	9.0
59.01378	11.1
71.01380	17.6
75.00856	12.7
75.45016	3.6
84.87890	3.5
85.02956	7.9
87.00873	4.2
88.04044	71.6
89.02425	4.7
99.00848	4.5
101.02433	4.0
114.01965	6.3
115.00353	12.5
117.71637	3.9
119.05033	23.6
120.04363	3.9
125.02434	7.6
129.01952	7.3
132.03024	100.0
133.04791	3.6
140.14897	3.7
145.02971	5.7
163.04031	27.7
177.04073	31.6
195.05104	47.2
250.04709	7.3
250.07172	92.3
255.02963	6.0
284.03354	3.8
284.24298	3.5
285.03720	5.0
295.22723	4.0
341.08789	85.2
353.06586	6.1
383.07947	4.8
415.86713	3.7
425.46426	3.8
508.78143	3.6
516.85168	3.5
550.91956	3.5
593.14734	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	592.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33416	0.1
54.45789	0.1
56.18969	0.1
58.64375	0.1
59.01374	0.2
61.98828	100.0
62.98501	0.2
63.99255	0.4
79.31804	0.1
145.02902	0.1
173.17938	0.1
209.11911	0.1
229.47005	0.1
236.48203	0.1
268.03757	0.2
269.04092	0.4
283.06247	0.4
284.03387	0.3
284.06473	0.4
285.04019	2.7
293.21259	0.2
350.89099	0.2
354.21622	0.1
593.14905	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66180	1.3
57.03434	1.7
58.00575	1.3
59.01377	100.0
61.98825	7.6
69.78239	6.8
71.01378	18.5
72.99236	1.2
73.02950	4.9
77.48134	1.2
83.01406	3.4
85.02936	11.0
87.00903	1.5
88.98803	2.5
89.02448	3.2
96.96034	1.5
97.02931	1.9
98.19875	1.4
99.00844	3.0
101.02447	8.3
113.02451	11.7
118.05273	1.5
119.03524	1.6
125.02425	4.2
129.35039	1.4
143.03542	3.4
161.04587	4.9
239.03377	1.8
268.03751	53.4
269.04123	3.9
283.06097	91.3
284.06451	4.5
343.28500	4.3
367.10242	1.4
447.04050	1.4
487.32751	52.6
488.33392	3.8
505.33774	19.7
547.33142	2.7
591.33911	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
57.03434	2.5
57.19607	0.8
59.01377	100.0
61.98828	7.2
67.58365	0.9
69.03426	1.3
69.58755	5.5
71.01379	19.6
72.99306	1.5
73.02956	5.6
78.70189	1.0
78.95897	4.1
83.01397	6.0
85.02950	11.9
87.00851	3.1
89.02440	3.7
93.07103	2.5
95.01376	2.0
97.02934	1.5
99.00869	2.7
101.02438	14.2
109.02941	1.1
111.00878	1.8
113.02447	9.1
119.03519	1.4
125.02385	1.7
143.03488	2.0
152.99545	2.3
159.02960	1.0
161.04549	6.8
182.93343	0.9
206.53906	0.9
211.13475	1.8
211.17007	1.0
213.18533	4.4
240.04317	1.8
255.10219	4.2
268.03745	33.5
269.04074	1.9
283.06100	53.9
284.06454	4.3
343.28448	3.5
357.22714	2.3
375.23819	7.0
487.32745	58.3
488.33142	5.1
505.33813	27.5
506.33868	1.3
547.35699	4.3
591.26532	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.261
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
61.98819	0.9
70.30524	0.4
70.52760	1.4
72.34793	0.4
92.50056	0.5
98.43722	0.4
101.25198	0.4
101.69466	0.6
106.06586	0.6
117.02743	0.5
130.47955	0.4
389.58963	0.5
443.22354	1.6
445.20279	1.4
454.98590	0.5
455.22406	0.8
456.23325	0.7
457.20557	0.5
459.21616	2.5
471.21039	1.4
471.26050	1.7
472.23203	1.5
473.23035	0.7
476.19000	0.6
482.21191	1.1
485.19867	1.7
486.20450	0.5
487.25583	2.9
488.22656	0.6
497.23511	3.4
499.21393	3.2
500.22125	11.7
501.22638	0.7
504.21594	0.9
513.23340	0.8
514.23358	0.8
515.24493	100.0
516.24756	9.4
518.23352	0.7
519.23505	0.7
559.23340	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	591.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.4
59.01376	52.3
61.98825	9.9
66.91073	1.0
68.34762	1.0
69.27025	0.8
69.27383	8.8
71.01378	11.9
72.99310	2.5
73.02970	2.7
75.00854	3.4
81.03467	0.9
83.01380	2.6
83.57418	0.9
85.02949	7.7
89.02453	2.8
93.07112	1.0
95.01392	2.5
99.00896	1.8
99.15603	1.2
101.02416	5.6
113.02430	7.8
130.08739	6.4
131.09143	1.4
146.61314	1.0
148.85062	1.0
151.00362	1.2
161.04572	2.8
171.10289	1.5
183.13850	1.8
190.45569	1.1
201.11298	1.8
253.09169	1.4
268.03751	66.8
269.04108	3.3
283.06091	100.0
284.06406	8.1
375.23651	2.4
410.37222	1.2
487.32751	26.2
488.33139	1.9
505.33865	8.5
506.34146	1.2
547.36060	1.2
591.27777	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44178	1.0
54.35535	1.2
54.38661	1.1
55.01865	1.6
57.03446	31.9
58.00597	2.4
58.45961	1.1
59.01377	79.3
62.89297	1.0
66.76814	1.0
67.01906	1.2
67.09804	1.4
69.03442	1.4
70.64694	2.5
71.01379	40.3
72.99274	3.4
73.02946	1.3
75.00845	4.1
78.81657	1.0
79.05490	1.1
79.90711	1.1
81.03432	2.7
81.07111	1.7
83.01369	3.1
84.66449	1.5
85.02950	10.9
87.00851	3.7
89.02441	41.2
95.01373	3.5
95.05029	2.4
99.04514	15.5
101.01797	1.8
101.02438	31.8
108.03367	1.3
111.04491	3.5
113.02454	23.6
119.03502	15.6
120.05809	1.5
125.02467	1.4
131.03488	2.2
133.15717	1.3
135.02998	2.0
143.03441	3.5
149.04526	7.3
150.03239	1.2
157.06552	2.2
161.04515	5.3
161.13339	22.7
163.03940	2.5
163.29167	1.1
165.05577	1.7
175.02263	1.2
179.05594	10.3
181.05002	1.5
183.75764	1.1
185.13330	1.6
187.11279	34.2
198.73944	1.2
204.69391	1.2
205.12325	41.0
206.12604	1.7
219.06732	1.4
219.13885	1.6
229.12341	8.1
231.10216	3.2
247.13336	4.4
249.11301	95.2
250.11583	3.3
267.03067	1.3
273.11600	1.1
291.12436	5.7
295.06061	1.9
297.07684	2.7
305.06512	1.6
309.07776	1.9
312.06274	3.5
325.10696	2.9
327.08804	8.8
342.10974	7.7
343.11853	1.2
351.14319	3.3
385.18393	2.9
411.16602	26.8
429.17624	100.0
430.18188	6.2
447.16388	6.4
459.16534	3.6
489.17575	9.2
499.19510	3.9
500.19699	2.2
529.20801	8.0
531.20325	1.8
555.22717	1.8
555.33917	1.9
591.22699	41.9
592.22870	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	591.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.1
59.01378	0.3
61.17133	0.1
63.02429	0.2
65.00020	0.2
65.00375	0.2
69.77715	0.4
71.01381	0.9
72.99311	0.1
75.00867	0.6
81.24612	0.1
83.01406	0.2
85.02946	0.5
87.00872	0.2
95.01373	0.2
98.19978	0.1
99.00880	0.2
107.01399	0.3
112.64948	0.1
113.02446	0.6
117.03468	0.2
147.00975	0.1
148.01640	0.1
149.99574	0.1
151.00331	0.7
171.04506	0.3
172.05292	0.2
175.02512	0.1
190.02640	0.1
192.42934	0.1
195.04416	0.1
196.05226	0.3
199.03946	0.1
200.04778	0.2
205.05014	0.2
211.04021	0.4
212.04741	0.2
224.04674	0.1
239.03468	0.9
240.04268	1.5
267.02905	0.6
268.03735	62.9
269.04080	2.6
283.06088	100.0
284.06433	4.3
284.09576	0.2
307.06683	0.9
446.28647	0.1
591.13446	2.8
592.13843	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1714
Annotation	Linarin
Peak:m/z	Relative Intensity
51.29680	0.1
53.46615	0.1
55.16477	0.1
59.01365	0.1
61.50963	0.1
63.02348	0.3
63.63114	0.1
65.00352	0.3
68.57323	0.1
70.08894	0.2
83.01384	0.1
107.01376	0.5
116.02679	0.1
117.02693	0.1
117.03507	0.2
125.72988	0.1
130.04245	0.1
131.03394	0.1
148.01625	0.2
149.99541	0.2
151.00336	0.9
158.03723	0.1
171.04486	0.2
172.05228	0.3
184.05379	0.1
195.04521	0.2
196.05296	0.3
199.03912	0.1
200.04764	0.3
211.03970	0.6
212.04758	0.3
224.04669	0.1
239.03441	1.2
240.04271	2.0
267.02921	0.7
267.05997	0.1
268.03741	69.0
269.04065	3.4
281.04504	0.2
283.06091	100.0
284.06421	4.8
327.09146	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	591.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38993	1.0
51.59953	1.1
53.94549	1.2
54.14923	1.1
55.01876	2.3
57.03432	4.4
58.00581	3.2
59.01378	100.0
60.86738	1.1
61.98836	1.3
69.03426	1.2
69.27037	10.1
71.01379	60.6
72.99306	6.5
73.02935	4.9
75.00871	10.9
81.03423	1.3
83.01379	6.5
83.05021	1.4
85.02950	20.1
87.00877	4.3
89.02437	53.9
95.01353	5.7
95.05029	2.0
96.96007	4.7
97.02947	1.5
99.00889	3.8
99.04501	10.0
101.02441	33.3
107.05060	2.1
111.00853	1.6
111.04525	2.1
113.02444	38.2
116.92902	1.1
119.03492	25.5
120.05775	2.3
125.02416	2.4
131.03505	3.3
135.02974	2.5
143.03477	4.5
147.11845	1.4
149.04488	1.5
157.06502	2.7
159.08125	1.3
159.11740	2.0
161.04541	10.4
161.13353	30.6
172.08939	1.3
175.02480	1.3
179.05586	21.8
179.07056	2.3
185.13362	2.6
187.11272	52.5
188.11604	1.9
201.12952	1.3
203.14511	2.2
205.12315	58.2
219.13847	1.6
229.12270	16.1
230.12552	1.3
231.10255	3.8
247.13350	6.6
249.11311	85.5
250.11629	2.5
259.13263	2.2
268.03671	3.2
273.11505	1.7
283.06052	3.7
291.12173	4.2
351.14478	2.3
367.17520	1.4
385.18713	11.2
411.16559	25.7
412.16904	1.3
429.17612	64.9
430.17886	3.9
440.65369	1.3
547.20465	2.7
549.25427	3.4
591.26300	26.4
592.25586	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	590.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.9
60.08286	0.5
61.98829	100.0
66.98288	0.4
71.53555	0.6
92.13482	0.5
120.27473	0.5
162.37006	0.5
203.52094	0.5
253.09311	1.2
268.03680	2.4
275.20172	0.8
283.06116	3.6
291.16629	0.5
293.21359	1.2
294.21579	2.2
402.60602	0.6
403.61768	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.8
61.98823	1.2
62.38426	0.3
71.53527	0.6
72.48106	0.4
72.99303	1.6
75.00871	100.0
76.01205	0.5
149.57452	0.4
160.76529	0.4
211.74078	0.4
225.95844	0.4
253.09288	1.1
293.21259	3.7
317.06839	0.4
394.73044	0.5
519.97430	0.4
524.97168	0.4
527.28827	0.6
589.01404	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17498	0.5
59.01375	1.3
61.98827	100.0
69.18923	4.8
72.56835	0.5
72.64398	0.4
77.07612	0.4
80.24624	0.4
89.02467	0.4
148.95570	0.4
219.87816	0.5
253.09293	1.0
268.03784	3.0
283.06039	4.3
293.21310	2.1
294.21674	2.1
346.95538	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.3
61.98829	100.0
63.99260	0.2
71.01398	0.2
71.48896	0.2
71.53892	0.2
71.54263	0.2
96.05112	0.1
113.06728	0.1
157.01363	0.2
175.02475	0.4
211.66972	0.2
403.19098	0.1
431.64499	0.1
501.60422	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73079	0.2
59.01378	0.4
61.98826	100.0
63.99244	0.2
69.01910	0.1
70.35193	0.5
71.01392	0.3
75.82059	0.2
85.02941	0.2
87.00884	0.3
96.96019	0.2
113.02484	0.2
115.00365	0.3
123.17096	0.2
175.02464	0.4
188.21812	0.2
207.70058	0.1
282.22699	0.2
397.04596	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50971	2.0
59.01377	29.7
59.66067	2.0
60.57745	2.2
61.98825	9.9
66.18171	1.7
71.01381	7.5
71.53391	3.3
72.98248	2.2
77.56551	2.1
78.91901	5.5
85.02991	3.2
89.02472	6.4
101.02438	6.4
102.59389	2.2
113.02480	4.2
121.10248	2.6
125.09727	3.2
166.35788	1.8
185.11859	2.7
186.04385	2.0
195.13782	2.0
196.64178	2.2
203.79834	2.3
209.11868	2.2
235.08055	2.1
247.20688	3.5
252.37971	2.3
253.09238	16.3
263.20148	6.0
273.18643	7.3
291.19638	100.0
292.19916	4.2
327.68668	2.2
448.68430	2.0
527.28516	17.2
608.43365	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	586.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.7
61.98827	100.0
71.01379	0.8
78.57039	0.3
85.02962	0.3
89.02419	0.3
96.96012	0.5
97.72047	0.3
98.20675	0.5
99.00877	0.3
101.02443	0.5
119.58536	0.3
137.02510	0.2
152.01207	0.3
278.66840	0.3
289.88452	0.3
491.90854	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62063	0.2
59.01378	1.6
61.98827	100.0
66.19606	0.2
71.01392	0.5
71.53653	0.2
73.02933	0.2
80.16406	0.2
85.02953	0.3
89.02423	0.4
95.95222	0.2
96.96006	0.3
101.02466	0.2
109.02979	0.2
113.02502	0.2
124.73336	0.2
150.03239	0.5
152.01202	0.3
152.38432	0.2
165.05571	0.8
166.05931	0.3
195.06642	0.4
196.06981	0.3
276.26895	0.2
288.22678	0.4
290.23138	0.2
369.01782	0.2
478.93851	0.2
586.22565	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54659	0.3
61.98828	100.0
69.87783	1.5
70.41686	0.3
84.09979	0.3
88.26197	0.3
89.02438	0.4
133.02946	1.9
134.03748	1.6
135.04520	5.4
137.02454	0.6
139.04013	0.3
143.38290	0.3
150.03239	0.4
154.82820	0.3
155.11349	0.3
161.02434	14.0
162.02757	0.3
179.03473	3.1
264.86624	0.3
268.30054	0.3
287.22412	1.1
291.19833	1.0
431.24301	7.4
449.25366	2.7
450.26044	0.4
523.29102	33.1
524.29529	2.0
550.95624	0.3
552.61536	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48200	0.1
59.01378	1.8
61.98828	100.0
62.98568	0.1
63.99255	0.3
70.70405	0.1
71.01377	0.9
71.54137	0.2
73.02944	0.2
73.23083	0.1
75.00876	0.2
80.91692	0.2
81.03459	0.2
83.01395	0.2
85.02940	0.3
87.00873	0.2
89.02421	0.3
89.25690	0.1
95.86393	0.1
96.96023	0.2
101.02445	0.4
113.02458	0.3
113.17802	0.1
116.92872	0.2
119.03499	0.2
125.15034	0.1
135.04445	0.2
150.03261	0.5
152.01155	0.2
160.99130	0.1
165.05600	0.4
175.02480	0.2
195.06747	0.2
196.06879	0.1
214.60712	0.1
275.83521	0.1
285.04224	0.3
301.10980	0.1
302.11105	0.3
308.18555	0.1
360.16040	0.2
586.22827	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.2
61.98828	100.0
63.99250	0.4
70.18723	0.4
70.19113	0.2
71.01377	0.4
71.87518	0.2
73.02951	0.2
85.02952	0.3
89.02431	0.3
96.80896	0.2
101.24844	0.2
105.09019	0.1
113.02491	0.2
149.02463	0.4
149.04536	0.1
150.03241	1.2
151.03632	0.3
165.05511	1.1
166.05945	0.5
195.06639	0.6
196.06932	0.3
237.80492	0.2
359.15155	0.2
360.15540	0.6
538.21246	1.2
586.33673	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	22.1
59.01380	32.4
61.98829	38.7
71.01387	6.5
73.02939	1.9
75.00849	1.5
79.05544	1.4
83.01398	2.9
85.02957	4.1
89.02464	1.8
95.05016	2.2
97.02959	4.0
98.19781	2.8
99.04514	12.2
101.02426	6.2
107.05032	2.4
108.02225	1.4
109.02953	2.9
109.06606	2.2
111.04556	3.4
113.02466	3.6
119.03535	1.3
121.06609	2.6
122.03755	4.8
123.04531	1.8
124.05295	7.9
125.02449	4.6
125.06058	3.4
133.06604	2.9
135.04529	2.0
136.05241	1.2
137.06061	8.7
139.07649	71.2
140.07985	1.7
147.08170	1.9
149.06067	3.7
151.04051	1.5
152.01158	2.8
161.04565	10.1
165.05580	1.2
168.07899	13.1
169.08719	6.3
177.12846	1.3
181.08777	2.1
187.11301	9.8
190.09978	2.3
205.12340	21.9
210.08878	1.6
211.09634	2.6
214.50383	1.3
217.12338	2.1
229.12370	2.2
229.36819	1.7
231.10281	2.8
235.13342	3.8
249.11359	4.0
261.11310	3.9
273.11292	3.4
279.12357	100.0
280.12589	4.2
303.12354	4.2
321.13525	8.8
333.15402	1.3
361.16519	2.4
423.16559	22.8
441.17743	6.6
547.92505	1.5
585.21765	18.7
593.45355	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
65.55446	0.4
65.76487	0.4
69.16986	4.0
71.38036	0.4
93.03455	0.5
117.03474	0.6
133.02953	5.4
134.03767	3.5
135.04524	14.1
135.05537	0.9
137.02437	1.5
139.04021	0.6
146.94003	0.4
161.02434	31.3
165.40346	0.5
175.03130	0.4
178.02681	0.7
179.03513	6.3
254.82738	0.5
259.30673	0.4
287.19437	0.5
287.22162	2.6
363.25372	0.5
431.24335	14.7
432.24625	0.8
449.25409	6.7
450.44244	0.5
523.29077	61.9
524.29437	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	20.4
59.01379	26.7
61.98815	3.6
65.15748	0.8
69.44865	2.2
69.45282	5.0
71.01369	2.2
85.02940	1.1
89.02445	1.9
95.05014	1.3
97.02941	3.7
97.06580	1.0
99.04510	12.9
101.02438	5.0
107.05010	1.6
109.02920	2.8
109.06561	3.0
111.04492	2.8
113.02461	2.0
121.06588	3.7
122.03752	4.9
123.04504	2.2
124.05300	8.9
125.02411	3.7
125.06058	2.3
133.06566	3.4
135.04553	1.1
137.06084	6.7
139.07645	64.6
140.07933	1.3
145.06683	1.0
149.06058	2.7
151.03963	2.5
161.04550	7.5
161.05806	1.5
161.09764	1.2
163.07657	1.4
168.07890	11.8
169.08646	4.4
169.09949	1.0
177.12717	0.9
181.08653	2.3
187.11259	8.4
189.09145	1.5
190.10028	1.9
205.12325	23.4
211.09721	1.8
217.12268	2.2
229.12233	1.8
231.10229	1.6
235.13370	2.7
249.11250	3.4
261.11221	2.4
273.11276	2.3
276.55826	0.9
279.12357	100.0
280.12595	5.1
303.12299	3.7
321.13348	9.8
361.16415	2.9
423.16620	26.1
424.16937	1.6
441.17551	8.8
511.30756	1.1
512.60175	1.2
525.20032	1.1
585.21851	17.3
586.22211	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80050	1.1
53.54223	1.0
55.01885	1.3
57.03447	20.5
59.01376	56.3
60.99303	2.1
61.98820	6.2
68.89040	1.2
69.46158	1.1
71.01375	10.2
71.53790	1.0
72.99297	1.3
73.02941	1.4
78.95885	1.6
81.03445	2.4
83.01371	3.2
85.02965	4.8
86.01963	1.1
87.60087	1.1
88.98814	10.3
89.02434	7.5
91.72704	1.0
93.03442	2.5
95.01369	2.0
95.05025	2.5
96.95950	1.2
97.02962	5.8
99.04514	19.6
101.02428	10.8
107.05006	3.1
108.02169	2.1
109.02968	6.2
109.06570	4.2
109.38230	1.0
111.04525	4.9
113.02454	5.5
113.51960	1.0
116.82677	1.2
119.03519	2.3
121.06552	2.9
122.03722	7.2
123.04481	3.6
123.08035	1.2
124.05302	12.8
125.02431	9.6
125.06043	4.1
133.06572	5.4
134.03745	1.7
135.04503	3.4
137.02386	3.1
137.06071	8.9
139.07640	91.9
140.07967	1.7
145.06534	1.2
147.04587	1.4
147.08112	1.8
149.06049	2.4
150.03168	1.9
151.03975	4.8
151.07600	1.3
151.96245	1.0
152.01117	2.8
153.05569	1.7
154.99881	1.9
155.03502	2.0
161.04559	10.0
163.07552	2.0
165.05557	2.0
168.07893	16.9
169.08720	7.2
171.08090	1.3
177.12740	1.1
178.02570	1.5
179.05699	1.3
181.08652	3.9
185.09737	1.3
187.11284	11.7
190.09912	3.2
193.05089	2.5
205.12317	25.5
210.09027	1.7
211.09669	2.7
217.12434	1.7
221.11613	1.2
229.12231	1.9
231.10184	2.4
235.13329	3.5
249.11250	8.2
251.12477	1.1
259.13290	1.5
261.11206	3.1
273.11258	4.7
279.12347	100.0
280.12650	4.7
285.11002	1.5
291.12341	1.6
303.12411	7.6
321.13373	13.5
323.09589	1.0
349.06516	1.0
361.16403	2.8
363.14551	1.8
396.39944	1.0
405.15607	1.8
423.16556	53.6
424.16785	3.2
429.17282	5.6
441.17630	3.2
585.22223	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	584.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	3.0
61.98829	100.0
65.03343	1.4
65.04342	1.6
71.39133	2.5
405.26282	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80050	1.1
53.54223	1.0
55.01885	1.3
57.03447	20.5
59.01376	56.3
60.99303	2.1
61.98820	6.2
68.89040	1.2
69.46158	1.1
71.01375	10.2
71.53790	1.0
72.99297	1.3
73.02941	1.4
78.95885	1.6
81.03445	2.4
83.01371	3.2
85.02965	4.8
86.01963	1.1
87.60087	1.1
88.98814	10.3
89.02434	7.5
91.72704	1.0
93.03442	2.5
95.01369	2.0
95.05025	2.5
96.95950	1.2
97.02962	5.8
99.04514	19.6
101.02428	10.8
107.05006	3.1
108.02169	2.1
109.02968	6.2
109.06570	4.2
109.38230	1.0
111.04525	4.9
113.02454	5.5
113.51960	1.0
116.82677	1.2
119.03519	2.3
121.06552	2.9
122.03722	7.2
123.04481	3.6
123.08035	1.2
124.05302	12.8
125.02431	9.6
125.06043	4.1
133.06572	5.4
134.03745	1.7
135.04503	3.4
137.02386	3.1
137.06071	8.9
139.07640	91.9
140.07967	1.7
145.06534	1.2
147.04587	1.4
147.08112	1.8
149.06049	2.4
150.03168	1.9
151.03975	4.8
151.07600	1.3
151.96245	1.0
152.01117	2.8
153.05569	1.7
154.99881	1.9
155.03502	2.0
161.04559	10.0
163.07552	2.0
165.05557	2.0
168.07893	16.9
169.08720	7.2
171.08090	1.3
177.12740	1.1
178.02570	1.5
179.05699	1.3
181.08652	3.9
185.09737	1.3
187.11284	11.7
190.09912	3.2
193.05089	2.5
205.12317	25.5
210.09027	1.7
211.09669	2.7
217.12434	1.7
221.11613	1.2
229.12231	1.9
231.10184	2.4
235.13329	3.5
249.11250	8.2
251.12477	1.1
259.13290	1.5
261.11206	3.1
273.11258	4.7
279.12347	100.0
280.12650	4.7
285.11002	1.5
291.12341	1.6
303.12411	7.6
321.13373	13.5
323.09589	1.0
349.06516	1.0
361.16403	2.8
363.14551	1.8
396.39944	1.0
405.15607	1.8
423.16556	53.6
424.16785	3.2
429.17282	5.6
441.17630	3.2
585.22223	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	584.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13137	1.5
58.91518	1.3
59.01392	1.8
61.98829	100.0
65.69009	1.4
66.60537	1.3
68.97571	1.5
69.94261	7.3
71.86616	2.1
78.63170	1.4
78.95890	1.7
121.02959	2.2
125.19720	1.7
128.40575	1.5
133.02957	9.5
134.03778	2.7
135.04538	14.9
137.02507	2.1
145.09021	1.6
161.02420	39.8
179.03479	6.5
285.20892	3.8
429.22687	19.3
447.23965	7.7
521.27515	80.4
522.27930	5.3
584.29889	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54902	0.1
59.01372	0.4
61.72155	0.1
61.98828	100.0
63.99247	0.4
69.49199	0.4
69.49619	0.6
71.01381	0.4
85.02956	0.1
93.02773	0.1
101.02441	0.1
132.15334	0.1
136.39311	0.1
281.10651	0.1
484.72177	0.2
524.34821	0.2
538.85614	0.1
539.92542	0.1
610.92871	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	584.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65160	0.1
56.38520	0.1
58.65240	0.1
59.01380	0.4
59.84461	0.1
61.98828	100.0
62.98545	0.2
70.06588	0.4
71.01387	0.3
75.56702	0.1
80.85986	0.2
98.19989	0.2
127.87339	0.1
148.44128	0.2
150.03238	0.1
165.05550	0.3
170.24240	0.1
195.06679	0.2
279.11594	0.2
432.26990	0.3
474.65683	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	13.9
61.98826	39.5
63.09504	0.7
70.49913	1.4
71.01377	5.2
73.02944	1.1
83.01353	0.9
85.02937	1.5
89.02416	2.2
91.04008	1.1
93.03420	3.3
96.95993	1.0
101.02408	3.3
113.02431	2.4
127.85246	0.6
131.07378	0.6
135.04535	1.4
137.02472	4.2
141.12836	1.3
149.06079	0.9
150.03177	1.7
161.04520	2.2
165.05545	2.9
177.04106	0.7
182.71121	0.6
195.06638	1.3
222.22110	0.6
253.09254	26.6
254.09700	0.8
269.21133	2.1
271.09702	3.2
272.10135	4.3
287.22253	100.0
288.22540	4.2
523.34485	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	584.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16697	0.2
56.56757	0.2
57.03456	0.3
59.01373	1.0
60.19545	0.2
61.98827	100.0
69.16743	0.2
69.17056	2.1
70.68260	0.2
71.01389	0.3
75.00866	0.5
84.00484	0.2
85.02986	0.3
88.98811	0.3
98.19935	0.5
101.02441	0.3
104.33955	0.2
107.99305	0.2
113.02470	0.4
139.07646	0.4
185.11826	0.4
186.12140	0.2
197.95218	0.2
279.11838	0.9
377.33063	0.2
378.90186	0.2
423.16956	0.3
534.15485	0.3
540.23846	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36189	0.2
56.42500	0.2
59.01350	0.2
61.98829	100.0
69.78796	1.0
75.86242	0.2
78.95911	0.3
80.96510	0.4
82.95596	0.2
82.96082	0.9
89.12455	0.2
111.85706	0.2
117.96339	0.2
129.41483	0.2
144.15468	0.2
152.99556	0.4
167.99416	0.2
173.90930	0.2
176.92561	0.2
269.02258	0.2
279.23270	1.9
280.23700	0.6
281.23804	0.3
282.24384	0.3
330.39944	0.2
433.24179	0.2
435.73969	0.2
448.01895	0.2
504.31149	0.8
581.26758	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28502	0.1
59.01374	0.3
60.49758	0.1
61.98828	100.0
65.17387	0.2
67.89353	0.1
70.59033	0.4
78.95924	0.5
104.52962	0.1
111.44527	0.1
121.64832	0.2
152.99617	0.4
167.73750	0.1
187.61385	0.2
193.99850	0.2
279.23203	1.5
280.23575	0.7
282.24420	0.2
358.19513	0.1
372.96759	0.2
438.99008	0.2
504.30978	1.1
505.31387	0.3
507.31842	0.7
581.32214	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98827	6.4
65.01260	0.6
68.24328	0.6
69.85812	2.5
97.98811	0.7
148.95428	0.6
194.93185	0.6
277.21729	4.7
279.23395	2.0
291.23367	0.8
300.36856	0.6
349.51868	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28835	0.4
55.01870	0.5
57.03434	1.7
59.01105	0.7
59.01376	6.9
61.98833	5.1
69.03453	2.2
71.01380	4.1
71.05000	0.7
71.53914	0.5
72.99307	1.6
73.02952	1.1
73.50577	0.5
75.00860	0.8
81.03452	0.6
83.01384	0.6
85.02943	2.8
85.93448	0.4
87.00874	0.6
88.36732	0.4
88.98805	0.6
89.02411	1.0
93.03475	0.7
95.01397	0.9
96.96036	0.5
97.02987	0.6
99.00890	0.9
99.04440	0.4
101.02451	2.5
105.17731	0.5
108.02171	48.6
109.02956	13.0
109.28231	0.5
111.00872	0.6
111.08164	0.4
113.02451	1.7
117.02075	0.4
119.03530	0.6
122.03727	0.6
123.00899	1.3
128.26732	0.4
134.03778	0.9
135.04501	0.6
137.02437	0.8
139.11281	2.9
149.02460	1.3
150.03235	2.4
151.03986	0.8
152.01144	94.5
153.01947	5.4
155.35783	0.5
163.03960	3.1
165.05560	3.2
179.03482	1.2
181.09822	0.4
183.10210	2.1
195.06602	2.0
212.99956	0.4
223.06046	0.5
241.07072	0.5
267.05127	0.8
277.59573	0.4
285.06110	1.3
296.07150	0.6
357.13364	0.5
391.19843	0.7
398.40350	0.5
399.09280	14.2
400.09836	0.8
417.10306	7.3
418.10654	0.6
522.33636	2.8
523.33691	2.8
535.19672	1.2
539.24274	0.5
540.34338	0.7
583.20270	100.0
584.20728	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	581.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	20.7
61.98820	1.8
62.23513	0.7
64.65740	0.6
64.80167	0.6
69.25719	6.1
69.73471	0.6
71.01385	5.0
75.00848	2.0
76.13829	0.6
85.02927	2.3
87.00866	1.1
89.02420	1.3
90.32950	0.6
92.69409	0.6
99.00853	1.2
101.02415	1.6
106.50912	0.7
113.02436	2.8
115.00326	3.2
116.92860	0.9
125.02469	1.0
133.01407	6.5
137.02435	3.3
145.02954	2.9
147.04501	1.4
149.02463	1.0
151.04037	4.7
152.04666	0.8
160.05223	0.9
161.06052	0.8
163.04027	5.5
165.01913	1.0
165.05492	1.4
166.06371	1.0
167.03455	0.9
173.05930	1.0
174.03200	3.0
175.02565	0.7
175.03975	15.0
176.04692	2.4
177.05513	1.9
179.03534	1.2
179.07158	1.3
180.04276	7.4
188.04765	2.8
189.05536	6.8
190.06331	17.6
191.07109	11.1
193.05055	6.7
194.05827	8.0
195.06508	0.8
203.07144	2.4
205.08673	16.6
207.06618	7.1
208.07365	12.7
209.07823	0.9
222.08884	1.8
223.06107	1.0
223.09712	1.1
269.08249	1.3
284.03189	2.2
285.03946	5.5
299.09525	1.0
311.09235	1.6
314.11542	1.8
326.11365	1.4
329.13849	9.9
341.13873	5.3
374.13617	3.3
377.15784	1.2
389.16028	100.0
390.16272	5.5
419.17145	6.1
447.09235	5.7
449.16336	1.1
521.20056	2.5
521.26691	1.4
521.33441	0.9
537.21783	4.2
579.75610	0.7
581.23022	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.6
61.98828	100.0
62.89520	0.7
69.80672	0.6
78.95905	3.9
96.29362	0.6
96.96005	0.9
115.92088	1.2
116.92844	0.9
127.47836	0.7
150.32509	0.6
152.99590	0.9
178.88435	0.6
179.89258	0.8
180.90027	0.7
196.89513	1.9
209.16202	0.8
373.41898	0.8
549.37634	0.8
581.18127	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.182
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
59.01367	5.4
61.98830	2.2
62.96399	2.2
67.31208	1.6
67.69710	1.3
69.14852	6.9
69.15278	8.9
71.01359	2.1
78.95902	100.0
93.64667	1.4
96.95970	1.7
96.96976	4.2
99.92590	10.5
100.93343	2.3
115.92075	38.6
116.92075	2.8
116.92855	27.2
130.94531	1.5
150.98029	4.8
152.99586	29.4
158.68600	1.5
164.90462	3.3
171.00652	14.7
172.95444	7.6
178.88412	13.5
179.89217	37.6
180.89990	26.7
194.87910	3.5
196.89482	47.3
197.89462	1.8
205.90742	6.3
206.91490	4.3
208.89406	2.0
217.90942	1.7
221.90199	1.8
234.91127	1.8
235.91797	10.5
236.92622	29.5
237.93250	2.1
245.04506	1.8
252.92065	3.4
255.23444	1.9
258.60706	1.7
261.60324	1.5
270.93057	2.3
278.93607	3.3
292.95224	3.2
309.95752	2.0
310.96280	6.7
442.69928	1.8
470.07047	1.6
473.13834	3.4
490.14178	7.6
533.16180	5.6
545.16278	5.9
563.17218	7.6
568.96545	1.8
581.18207	99.4
582.18945	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	579.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
61.98828	100.0
67.23787	0.2
70.08695	0.2
71.07521	0.4
78.95914	0.9
89.30416	0.2
106.16273	0.2
118.37769	0.2
125.02405	0.3
139.53539	0.2
156.78506	0.2
188.89706	0.2
224.06792	0.2
237.99901	0.2
249.49985	0.2
269.81653	0.2
277.21649	1.1
278.22192	0.5
502.29431	1.3
505.30316	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.4
61.98827	100.0
64.77632	0.1
66.89579	0.2
68.64397	0.2
78.95905	0.3
85.46176	0.1
98.19815	0.2
127.52291	0.1
134.87390	0.2
152.51094	0.1
152.99574	0.3
241.07895	0.1
277.21674	1.7
278.22119	0.6
279.22415	0.3
502.29648	0.9
505.30704	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.6
58.53332	0.3
59.01380	11.5
60.01704	0.5
61.98829	100.0
69.99170	1.4
71.01386	2.7
71.27405	0.3
73.02949	0.6
74.63772	0.3
75.00887	0.5
83.01393	0.6
84.63335	0.3
85.02966	1.4
88.98827	0.5
89.02462	1.2
95.01402	0.4
96.96024	0.6
98.85690	0.3
99.00840	0.4
99.04558	0.6
101.02454	2.4
108.02218	0.4
113.02455	1.5
114.02747	0.4
121.02996	1.1
125.02460	0.7
133.02995	0.6
143.03583	0.4
147.04485	0.4
161.04543	1.0
171.10245	0.4
192.32826	0.3
209.12074	0.3
210.06767	1.0
211.03976	0.5
226.06389	0.6
253.05170	0.9
254.05832	23.6
255.06065	0.6
269.08170	36.3
270.08533	1.9
272.10233	0.6
519.31665	3.2
520.32013	2.2
523.74237	0.4
547.73578	0.4
579.30060	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37685	13.0
53.75695	13.4
59.01355	20.6
59.30618	13.4
61.49932	15.4
61.66720	12.0
61.98823	52.6
62.55799	12.1
71.53157	18.6
98.79800	13.5
122.80714	14.1
125.02492	18.7
209.11626	19.9
228.28119	17.9
253.09216	16.0
270.42053	15.5
289.18103	25.2
307.19101	45.4
464.33112	14.1
471.23730	17.9
482.44067	19.0
544.20404	17.4
579.25714	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70443	0.6
55.01784	0.8
55.02016	1.3
57.03328	0.9
57.03577	1.2
58.00451	1.6
59.00976	2.2
59.01786	2.4
68.78667	0.6
69.90630	2.3
71.01207	19.6
71.01649	9.4
72.99157	1.3
73.02774	2.6
73.03214	0.9
74.44466	0.6
75.00746	1.0
75.01088	0.7
83.01202	2.6
85.02758	7.4
85.03346	2.4
85.99937	0.7
87.00681	5.9
87.01281	1.7
89.02246	19.3
89.02866	5.1
90.98439	0.8
95.01167	2.2
99.00717	1.5
99.01269	0.6
99.04309	3.3
101.02232	18.2
101.02975	3.3
113.02229	9.4
113.03075	1.6
113.78951	0.7
118.98575	0.5
119.03257	6.7
120.64759	0.6
121.96106	0.6
129.01759	1.0
143.03230	0.9
147.02884	0.6
149.04286	0.8
149.99388	0.6
161.04410	0.9
165.03885	0.8
167.03348	0.7
168.00375	2.3
179.05371	0.9
207.13634	1.8
237.14758	1.0
251.12927	5.2
285.04077	4.4
297.07474	1.8
309.07516	2.0
309.10852	0.6
312.09946	1.5
324.09879	2.6
327.12338	11.0
339.12387	9.7
357.13562	0.7
387.10944	2.7
399.20224	100.0
400.20505	4.9
418.27151	0.7
431.18710	3.0
443.68756	0.8
447.09406	0.8
519.31915	1.7
524.43353	0.7
579.13782	2.0
579.26868	52.0
580.27087	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	579.208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50822	0.6
57.03448	1.4
59.01379	18.3
61.98810	0.8
63.02409	0.7
67.85280	0.7
71.01383	10.1
71.05020	1.1
72.99335	1.3
73.02950	3.1
75.00842	1.5
83.01394	1.8
85.02944	5.6
87.00864	1.1
89.02446	5.2
91.06278	0.8
96.96002	0.9
99.04491	0.8
101.02438	6.6
107.01380	0.7
109.02959	2.3
111.00836	0.8
111.64928	0.7
113.02464	6.0
116.93758	0.6
119.03504	2.7
119.05015	2.4
123.00876	1.5
125.02461	1.8
136.01628	0.6
137.02443	8.4
149.02420	1.5
151.00351	17.6
151.03967	1.3
152.01103	2.1
152.04785	2.1
153.01926	0.7
157.96503	0.7
159.04546	0.8
161.04546	2.4
165.01898	1.8
165.04132	1.5
165.05495	0.8
166.02710	48.5
167.03384	2.5
175.04057	1.2
177.01941	2.3
179.05641	0.9
181.05063	64.3
182.05394	0.9
184.03719	0.9
189.05621	0.9
190.06328	0.8
191.03473	0.9
192.04274	1.3
193.04997	0.8
205.08760	0.8
207.06703	1.2
207.13942	0.8
209.04497	0.8
251.12871	2.9
253.09149	0.8
269.04514	6.3
270.04892	3.8
271.06033	5.4
285.03989	0.8
327.12408	0.8
343.21262	1.6
357.26501	1.5
359.11536	1.1
375.27563	1.9
387.10782	13.9
402.13113	6.9
417.15521	100.0
418.15936	4.8
431.18893	2.3
435.15500	0.7
461.24356	0.7
501.29971	0.8
519.31830	15.0
537.33337	5.3
579.14954	1.6
579.23010	5.4
579.33734	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07243	0.5
54.92329	0.5
55.00314	0.5
59.01377	100.0
68.54435	0.4
69.33559	1.0
69.33954	3.8
71.01395	1.2
76.81826	0.5
82.21227	0.4
87.00835	0.5
101.02445	0.5
101.19728	0.4
103.23633	0.4
108.02164	0.5
121.02966	1.2
143.30186	0.6
150.03235	1.2
152.01208	0.9
163.04089	0.5
165.05482	0.7
168.00525	0.7
175.04005	1.9
190.06383	0.7
195.06558	0.5
221.06438	0.5
222.05357	0.9
263.06985	1.1
267.06522	0.6
269.08264	2.1
275.35104	0.6
279.06699	1.5
281.08124	2.9
282.09082	0.6
285.04245	1.4
291.06601	0.8
293.08246	1.0
294.09079	1.7
297.07709	8.9
297.11176	0.9
308.10455	0.9
309.07761	12.2
309.11343	3.1
310.08163	0.6
312.10031	8.3
312.13474	0.6
323.09613	2.5
324.10016	11.5
324.13675	0.8
327.12347	41.9
328.12900	2.3
339.12332	38.6
340.12848	2.1
505.44263	0.6
564.27588	0.5
579.13867	2.4
579.22577	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01312	0.3
58.97954	0.3
59.01376	22.8
61.98816	1.2
69.19646	2.2
69.20052	0.6
78.95899	21.6
80.96507	1.7
83.32056	0.3
96.96986	0.3
112.02345	0.3
122.98488	0.7
152.99580	3.3
168.04265	3.4
224.06926	8.3
225.00674	0.4
242.08008	2.1
258.22672	0.4
279.23267	100.0
280.23608	5.1
423.26022	0.4
504.30930	80.7
505.31271	5.3
520.50104	0.4
535.04718	0.3
578.27454	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	579.1354
Annotation	Kaempferol 3-apiosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
51.58092	0.4
55.31491	0.4
58.02967	1.3
59.01376	12.2
59.80257	0.4
63.02385	0.7
65.00333	0.6
69.70111	0.6
69.70525	1.5
70.02965	1.2
71.01377	4.1
72.00881	0.5
73.02939	5.9
74.02468	8.2
83.01385	2.3
85.02946	1.1
86.88789	0.4
89.02445	1.6
93.03458	1.0
95.01388	0.4
98.02472	2.1
98.17861	0.4
101.02438	4.0
105.03471	0.4
107.01403	1.6
108.02173	1.0
109.02925	0.7
113.02455	2.3
116.03563	1.9
116.05048	3.5
119.03500	0.6
121.02971	1.9
122.03748	2.7
125.02409	0.7
131.03482	0.7
133.02939	4.4
134.03760	0.7
135.04544	0.6
142.06517	0.7
143.03523	0.5
149.02432	6.2
149.04427	0.7
150.03223	22.9
151.00356	3.0
152.01161	1.7
159.09259	0.8
161.02475	0.6
161.04530	2.1
164.04770	1.5
165.05562	24.9
166.05896	0.6
175.02420	1.0
175.03978	1.9
177.05487	0.6
179.05676	0.4
179.07140	0.9
180.04277	1.5
185.05942	0.5
195.06615	16.0
199.04016	1.9
201.01910	0.5
201.10362	0.7
203.08243	8.6
213.05299	0.4
217.05070	0.8
220.74568	0.4
221.06723	0.8
236.04808	0.4
241.05099	0.5
245.09283	26.1
246.09671	0.6
256.03793	1.3
284.03268	16.9
285.04022	100.0
286.04398	4.2
312.09860	0.9
327.12396	4.1
336.55582	0.5
417.10352	0.8
471.16580	0.9
531.18542	0.5
537.19855	0.6
538.61255	0.4
579.13501	56.5
580.13837	4.1
600.70331	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91584	0.3
55.01863	0.6
57.03431	1.0
58.00579	0.6
59.01377	14.9
61.19417	0.3
61.98835	2.9
63.32358	0.3
69.03443	1.2
69.48199	0.3
71.01376	7.0
72.99323	0.6
73.02939	1.9
81.03450	0.4
82.08657	0.3
83.01383	1.1
83.05013	0.7
84.02155	2.9
85.02943	2.4
87.00867	1.0
88.98810	0.4
89.02441	6.2
95.01374	0.4
95.04993	0.4
96.96002	0.6
97.02943	1.2
97.06590	6.8
98.19842	0.7
99.00884	0.6
99.04504	1.9
101.02440	7.6
111.00922	0.3
111.08146	0.4
113.02444	4.0
117.03447	0.4
119.03471	1.7
119.04999	1.1
119.08627	0.5
121.82858	0.3
125.02422	0.7
125.09718	1.4
125.33494	0.3
127.11279	0.6
131.03510	0.5
134.90802	0.4
135.08232	0.4
137.09702	0.9
143.03484	0.8
145.02939	1.3
161.04530	2.6
165.12790	0.9
171.10255	13.6
175.11287	0.8
179.05614	1.0
185.11798	0.6
193.12320	9.9
197.15436	0.6
211.13417	2.1
221.11813	1.0
225.14940	14.2
226.15187	0.4
238.11838	0.4
243.16000	6.3
253.09262	28.2
253.14548	1.1
254.09642	0.8
268.03690	0.4
269.04584	3.6
283.05972	1.1
291.19666	1.2
305.21237	0.5
323.22549	0.6
341.23288	100.0
342.23651	4.6
355.24863	0.6
373.26077	0.5
439.59555	0.3
517.30139	4.7
518.30853	0.4
533.29291	0.4
535.31488	0.5
542.86835	0.3
577.32660	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	578.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	15.8
68.95121	0.3
69.58968	1.7
70.49834	0.3
71.01370	1.3
77.67387	0.3
78.95901	5.5
78.98585	0.9
79.95719	1.8
80.96512	11.1
82.96080	0.6
85.02943	0.3
87.00888	0.5
94.98086	2.9
98.19978	0.3
98.20517	0.5
101.02466	0.4
106.98080	0.4
122.97604	0.8
125.02387	0.4
127.04012	0.3
134.97540	0.8
148.99084	1.0
152.98596	1.0
152.99579	0.8
153.98878	0.3
164.98616	1.9
165.98979	0.4
168.04283	1.3
182.99591	0.3
206.99573	0.4
218.73244	0.3
224.06873	1.0
225.00740	2.7
226.01105	0.7
242.07945	2.7
279.23260	100.0
280.23615	3.7
299.04236	0.5
382.48431	0.3
504.30920	35.2
505.31384	2.5
578.27167	21.1
579.27002	2.3
584.82263	0.3
584.92487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.7
57.03438	4.3
58.00583	2.0
59.01378	60.4
61.98830	19.6
62.72340	1.1
62.79414	1.1
67.03006	2.8
69.03450	2.4
69.13961	1.0
70.00399	4.8
71.01382	29.0
72.99306	3.3
73.02945	4.9
75.00877	5.0
83.01381	4.0
83.05010	2.4
84.02177	2.6
85.02946	13.6
87.00872	4.5
88.98836	1.5
89.02440	19.8
90.71307	1.0
91.03014	4.4
93.03415	1.2
93.04581	7.5
95.01398	2.5
96.96007	1.6
97.02940	1.6
97.06579	8.1
99.00879	4.6
99.04490	2.7
101.02435	17.3
108.88506	1.0
109.02969	1.8
111.08189	1.7
113.02454	17.0
117.05581	1.7
119.02505	14.1
119.03494	6.6
119.04970	2.0
120.04533	1.3
121.04111	1.4
125.02435	3.0
125.09697	2.0
131.03474	1.3
132.04552	1.2
133.04063	2.7
134.06134	7.4
135.04454	1.7
136.04047	1.7
143.03525	2.0
144.04556	2.2
145.02966	5.9
146.02486	1.9
147.03271	10.5
148.03998	1.6
149.04521	1.9
153.01913	1.5
155.10503	1.1
160.04037	23.6
161.04544	8.0
162.05606	56.3
165.12830	3.7
171.10283	9.0
179.05630	4.9
183.13889	13.0
188.03528	10.1
193.12317	12.0
195.04459	1.8
206.04594	7.6
211.13382	2.7
214.04984	1.2
221.11763	2.2
225.14909	17.1
227.12932	1.5
238.06311	2.7
240.07806	3.7
243.15932	7.6
249.06215	1.9
253.09213	30.9
264.07739	3.4
268.03745	52.5
269.04419	12.1
271.09705	4.4
282.05725	1.8
282.08835	28.1
283.06110	74.8
284.06415	3.0
326.07782	14.7
341.23300	100.0
342.23639	5.5
355.24753	8.5
379.24594	1.4
433.11169	1.4
475.12482	1.2
517.30078	17.8
535.31281	2.2
541.22656	1.9
577.24579	19.5
578.24243	2.6
595.49158	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.6
57.03445	5.0
59.01378	38.0
61.98823	8.0
63.93304	0.9
68.99815	1.2
69.03444	1.1
69.55249	2.5
69.55663	2.5
71.01378	23.4
71.01772	1.2
72.99301	4.5
73.02934	5.6
75.00868	29.2
83.01387	2.7
84.02161	0.9
85.02946	24.0
87.00854	7.1
89.02425	7.0
95.01392	3.2
96.96001	12.5
98.19897	1.5
99.00868	9.0
101.02435	6.3
103.00385	1.0
108.34234	0.9
113.02441	25.6
115.00345	2.4
117.01923	2.2
119.03497	3.1
125.02437	1.1
129.01871	1.1
129.87679	1.0
131.03546	1.0
145.02965	2.6
155.87718	0.9
157.01387	2.2
161.04550	1.1
173.04564	1.8
175.02463	3.6
201.11302	2.0
242.70190	0.8
252.04265	6.9
267.06595	19.3
268.03738	11.5
269.04483	6.8
283.06079	19.9
315.18124	0.9
361.34082	0.9
429.21393	1.2
473.20471	1.2
474.30536	1.8
517.30249	2.4
533.22351	100.0
534.22681	8.4
544.40027	1.2
577.29041	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65808	0.5
55.01874	5.6
57.03439	1.8
58.00582	0.8
59.01378	22.2
62.19968	0.5
69.03456	0.5
70.21176	1.8
71.01009	0.9
71.01377	12.8
72.99299	2.1
73.02940	1.3
74.27695	0.5
75.00869	54.3
83.01382	0.9
85.02944	3.6
87.00880	1.1
89.02441	15.6
93.03387	0.5
95.01403	0.9
96.74551	0.6
96.96024	0.8
98.19898	0.6
99.04499	2.1
101.02444	9.4
113.02454	5.6
117.01933	1.4
117.03458	1.2
119.03491	5.0
119.04993	1.3
125.02412	1.5
129.01938	11.4
131.03506	1.2
143.03503	1.5
145.02963	4.8
147.02980	5.3
161.04515	1.0
161.13339	5.2
163.03922	1.3
165.04034	100.0
166.04375	2.0
166.82658	0.5
179.05643	3.6
187.11308	1.4
205.12325	9.8
216.95378	0.5
249.11301	7.1
295.06049	0.6
297.07529	0.9
353.06699	1.1
379.13779	1.0
383.07721	1.3
385.18756	1.5
397.14792	1.4
403.81387	0.6
404.89606	0.6
429.17657	6.5
433.11609	0.9
457.11545	1.0
475.12570	1.3
517.26538	0.9
535.27588	0.9
559.20923	1.1
577.21588	69.3
578.21826	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	577.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01632	0.4
55.01867	4.4
57.03422	0.7
58.00554	0.9
59.01377	26.2
63.02370	1.4
64.28509	0.6
65.00291	0.6
68.04119	0.5
69.28271	4.8
71.01382	14.2
72.71482	0.6
72.99274	1.5
73.02917	1.1
73.46896	0.5
75.00868	27.7
80.95786	0.5
83.01366	1.2
85.02954	4.0
89.02443	13.2
95.01369	0.8
99.00829	0.7
99.04504	3.1
100.99377	0.5
101.02438	8.6
107.01363	1.0
111.04444	0.7
113.02437	5.3
117.01938	0.8
117.03446	3.3
119.03505	5.8
125.02440	0.9
129.01924	5.2
131.03435	0.7
135.04539	0.6
138.99306	0.5
143.03394	0.9
145.02934	2.6
147.02988	2.8
149.02502	0.6
149.04489	0.9
151.00323	1.1
159.04495	0.9
161.02406	0.6
161.04567	0.9
161.13347	5.6
165.04037	40.7
179.05553	2.4
181.06627	0.6
183.04489	0.7
187.11235	2.2
201.81624	0.5
205.12321	15.6
206.12814	0.6
225.05727	0.9
240.04129	0.6
245.95409	0.6
249.11317	15.4
268.03760	3.3
269.04523	100.0
270.04880	4.0
361.17746	0.6
379.13919	1.1
385.18719	0.7
397.14804	4.0
429.17603	16.1
429.23038	0.9
430.18164	1.0
480.83066	0.6
559.20288	1.3
577.21600	59.6
578.21924	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	577.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	22.7
59.01383	5.6
61.98814	0.8
65.74129	0.2
69.03447	0.4
71.01376	2.3
71.41470	0.4
73.02943	0.7
74.27235	0.3
75.00863	0.5
81.03451	0.5
85.02935	1.4
89.02443	0.6
93.03464	0.7
95.01398	0.3
97.02947	1.2
99.00901	0.3
99.04518	6.7
101.02442	5.0
103.33302	0.3
107.01456	0.3
108.02153	0.3
113.02461	1.3
117.03465	20.2
118.03757	0.5
119.05025	23.9
120.05354	0.6
121.02956	0.4
125.02448	6.6
145.02948	100.0
146.03281	2.7
151.00363	0.3
159.04494	0.5
161.04579	0.5
163.04005	24.1
164.04333	0.9
179.98759	0.3
181.04285	0.3
187.04031	0.8
211.07632	0.5
241.96815	0.3
268.03726	0.4
269.04608	1.3
283.06085	1.2
301.12466	0.3
307.08173	5.7
320.92538	0.3
345.19284	0.3
349.09274	4.7
363.20181	0.4
371.20364	0.3
389.12485	3.6
415.10181	0.4
431.11865	1.1
433.11359	32.7
434.11716	2.1
470.24527	0.3
475.12433	26.7
476.12769	1.9
515.15521	11.2
516.15997	1.1
517.30011	1.1
533.22345	0.3
535.31525	0.5
577.15320	2.4
577.28790	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1559
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
50.10010	0.1
51.10779	0.1
51.25536	0.1
52.11613	0.1
59.01380	0.2
63.02385	1.0
65.00347	0.5
69.61125	0.4
83.01396	0.1
89.00330	0.1
90.37553	0.1
91.92899	0.1
93.03461	0.3
98.19859	0.1
105.03494	0.2
107.01375	1.1
109.25337	0.1
113.02450	0.1
117.03451	2.4
121.02971	0.1
135.04561	0.1
147.00885	0.1
148.01692	0.1
149.02408	0.9
151.00359	0.6
155.05020	0.2
157.06557	0.2
159.04494	1.0
161.02425	0.6
169.06543	0.3
171.04498	0.1
180.05931	0.1
181.06580	0.3
183.04492	0.6
195.04530	0.1
196.05298	0.3
197.06114	0.6
199.03973	0.1
200.04770	0.1
201.05612	0.4
203.03355	0.1
224.04761	0.3
225.05559	1.0
227.03551	0.3
239.03471	0.1
240.04253	0.2
241.05136	0.1
253.05104	0.1
268.03738	3.3
269.04514	100.0
270.04858	4.6
283.06158	0.1
287.85266	0.1
311.05533	0.4
577.15509	4.8
578.15265	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24847	0.2
54.10062	0.2
55.01871	0.3
57.03447	26.5
59.01379	7.4
61.98835	0.6
68.99807	0.3
69.03456	0.8
69.33442	0.2
69.45204	0.5
69.45620	1.1
71.01381	2.6
73.02940	0.9
75.00858	0.2
81.03458	0.5
83.01394	0.8
85.02951	1.2
87.00864	0.3
89.02454	1.2
89.65866	0.2
93.03459	0.5
95.01381	0.4
96.99221	0.2
97.02940	2.4
99.00847	0.4
99.04515	11.6
100.18166	0.2
101.02441	8.7
102.95319	0.2
105.66029	0.2
111.04465	0.2
113.02460	1.6
117.03463	25.1
118.03790	0.5
119.05022	29.5
120.05340	0.4
121.02947	0.4
123.04568	0.3
125.02438	13.5
126.02830	0.3
133.05040	0.4
143.03503	0.5
143.05002	0.6
145.02946	100.0
146.03290	2.3
152.71849	0.2
159.04498	0.4
161.04565	1.0
161.06041	0.4
163.04005	25.6
164.04343	0.9
183.08150	0.3
187.03969	1.9
203.05589	0.5
217.04993	0.2
243.08740	0.5
245.08592	0.2
249.72525	0.2
269.04492	2.2
271.05896	0.2
287.07581	0.4
299.68915	0.2
307.08206	6.1
308.08615	0.3
329.08829	1.1
341.47842	0.2
349.09241	5.6
369.11816	0.4
373.25967	0.5
389.12357	2.2
390.12189	0.3
395.09509	0.2
415.10474	0.4
431.11896	5.1
432.12213	0.2
433.11356	23.0
434.11688	1.5
451.12219	0.2
475.12408	28.8
476.12793	1.8
489.26443	0.2
499.28751	0.2
515.15564	14.5
516.16083	1.0
517.30377	3.6
535.30768	0.7
577.15503	1.6
577.28625	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1556
Annotation	Acacetin 7-apiosyl (1->6)-glucopyranoside
Peak:m/z	Relative Intensity
50.37064	0.4
56.56471	0.4
57.03444	24.9
59.01367	1.7
70.83051	0.5
70.83392	0.9
71.01379	1.0
83.01424	0.5
85.02917	0.5
85.19881	0.4
87.38049	0.4
93.03461	0.6
97.02950	1.8
99.04509	10.3
101.02438	6.9
117.03455	22.4
119.05019	23.9
125.02431	12.0
143.04945	0.5
145.02940	100.0
146.03317	2.4
163.03995	21.4
164.04395	0.6
187.03970	1.9
196.36479	0.4
199.76822	0.4
283.58157	0.4
307.08194	3.5
329.09012	0.6
349.09296	3.1
369.11942	0.5
389.12314	1.2
407.19861	0.4
431.11780	4.8
433.11356	19.5
434.11572	1.1
475.12411	23.7
476.12833	1.6
515.15527	12.5
515.22797	0.8
516.15991	1.2
577.15424	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1347
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
55.13085	0.8
57.03447	14.3
57.64079	0.7
59.01369	2.0
59.09531	0.8
61.98813	1.0
67.17703	0.9
70.86708	2.0
71.01373	2.0
75.08713	0.7
81.03430	2.6
83.01371	5.6
93.03449	2.6
95.05003	2.0
96.96017	1.6
97.02937	5.1
101.02415	1.0
105.03426	0.8
107.05005	1.7
109.02940	20.9
111.04388	0.9
113.65769	0.9
120.36131	0.7
121.02977	5.3
122.03747	1.5
123.04517	13.2
125.02438	100.0
126.02758	1.5
133.02931	3.3
135.04491	2.3
137.01471	1.4
137.02438	19.4
138.03162	1.2
139.03979	2.6
147.04539	1.9
149.02428	7.6
150.03195	1.3
151.04008	16.6
159.04497	3.2
161.01128	1.6
161.02437	24.6
161.06061	4.5
162.03156	2.6
163.00380	2.5
163.03976	2.5
164.01149	5.7
165.01926	5.1
167.03517	2.8
173.06021	1.4
175.03983	9.3
175.07617	1.2
177.01932	8.7
177.05571	1.0
179.03528	4.5
179.07085	1.9
183.85765	0.9
185.06073	1.1
187.03932	8.1
188.04738	3.5
189.05481	1.7
199.03899	1.2
201.05510	2.5
202.06171	1.1
203.03470	1.6
203.07130	10.9
204.07443	1.1
205.01376	2.7
205.05057	6.5
209.87775	0.9
211.03944	1.6
211.31308	0.9
213.05434	1.2
215.03551	1.7
217.04997	2.0
217.08662	1.2
219.06686	0.9
221.08221	1.7
225.05234	1.2
227.03519	2.2
227.07068	2.3
228.04210	1.5
229.05061	2.9
230.05748	1.2
239.87029	1.0
241.05026	1.0
243.02922	3.2
243.06543	1.0
245.04564	6.0
245.08154	14.4
247.06238	1.1
255.02975	7.8
255.05664	0.9
255.06654	1.0
256.03763	5.3
257.04465	1.8
258.05173	0.9
269.04471	3.4
273.04022	4.7
281.04498	4.2
283.02518	2.0
285.03894	2.7
287.05591	15.0
289.07147	65.9
290.07468	2.7
297.04242	1.3
299.05591	5.4
305.06592	1.3
329.06558	1.2
339.08606	3.7
381.09436	2.3
407.07654	55.5
408.07922	2.5
411.10846	0.9
425.03238	1.4
425.08768	22.2
426.09000	1.4
451.10339	14.6
452.10486	1.2
525.26483	0.9
559.12671	1.8
577.12805	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	576.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56585	0.4
57.34471	0.4
59.01379	28.0
61.98827	1.7
65.85200	0.4
71.01377	0.8
71.44805	0.6
72.40437	0.4
78.95903	28.1
96.96962	0.4
122.98523	0.7
152.99553	3.5
161.35016	0.4
168.04295	4.4
188.07933	0.4
224.06935	11.1
233.22850	0.5
242.07857	2.7
259.20673	0.4
273.22586	0.5
277.21713	100.0
278.22113	3.7
351.28207	0.4
392.82227	0.4
502.29385	91.4
503.29691	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	576.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22264	0.2
54.05725	0.2
56.31533	0.2
57.38137	0.2
58.19966	0.2
59.01375	18.9
60.54204	0.2
61.98812	1.1
70.65454	0.8
73.51200	0.2
78.95900	7.3
81.80954	0.2
83.05021	0.4
95.60804	0.2
98.20031	0.3
127.39388	0.3
135.89319	0.3
152.99576	1.5
155.58089	0.3
161.72458	0.2
168.04295	1.9
199.13928	0.2
213.49561	0.3
216.42349	0.3
217.33646	0.3
224.06938	1.0
233.22742	0.5
235.55043	0.2
242.07964	3.4
259.20514	0.5
275.19931	0.3
277.21689	100.0
278.22055	4.3
313.51514	0.3
410.83844	0.3
424.51718	0.3
502.29367	45.2
503.29709	2.4
535.25958	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1347
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
55.01862	0.8
57.03446	15.7
59.01384	1.4
61.20006	0.7
69.03449	1.2
71.01386	1.2
71.18674	0.7
71.51929	1.2
81.03456	2.1
83.01371	5.0
85.02906	1.3
88.98795	0.8
93.03433	1.7
95.01364	1.2
95.05031	1.8
97.02945	4.2
101.07591	0.8
101.82141	0.9
108.02225	1.0
109.02940	18.7
117.03442	1.1
119.04960	1.2
121.02958	2.1
122.03749	1.8
123.04514	14.6
124.01630	0.9
125.02440	100.0
126.02754	1.0
131.05052	1.0
133.02963	5.2
135.04527	1.8
137.01466	1.5
137.02443	19.2
138.03174	1.0
139.03999	3.8
145.02895	1.1
146.03694	1.3
149.02440	7.0
150.03172	2.2
151.02879	1.5
151.03998	15.9
159.04474	2.7
161.02432	27.2
161.06073	4.4
162.03172	2.5
163.00313	1.9
163.03969	4.2
164.01120	5.0
165.01889	5.2
167.03511	2.3
173.06064	1.3
174.03207	0.9
175.04004	9.2
175.07574	2.1
177.01923	6.4
177.05495	0.9
179.03487	4.9
187.04036	7.4
188.04738	3.7
189.01894	1.1
189.05495	1.5
193.05119	1.3
199.04045	0.9
199.07605	1.0
201.05440	1.6
202.06322	1.3
203.03455	1.9
203.07120	9.5
205.01398	2.3
205.05019	8.5
209.27499	1.1
211.03954	1.6
213.05540	1.2
214.02774	1.0
215.03465	1.3
217.04994	2.5
219.02893	1.0
221.08130	2.6
227.03398	2.3
227.06882	1.7
228.04361	1.1
229.05008	3.8
231.02855	1.6
243.02885	2.6
243.06638	1.1
245.04480	5.7
245.08173	11.1
247.06142	1.4
253.05086	1.6
255.02985	10.7
256.03766	4.9
257.04462	1.6
269.04532	2.5
271.05881	0.9
273.04004	4.3
281.04529	4.3
283.02386	1.9
285.04047	3.8
285.06857	0.8
287.05591	10.3
289.07147	66.4
290.07480	2.7
297.03970	1.1
299.05630	6.3
329.06686	1.6
339.08554	4.5
341.06415	1.1
381.09662	3.0
389.06708	1.3
407.07672	62.9
408.08099	4.5
425.08743	29.1
426.09082	1.9
451.10342	15.9
452.10312	1.4
533.15320	0.9
559.12140	2.1
572.68799	0.9
577.13263	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	576.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42949	0.3
54.19735	0.3
59.01386	0.3
61.98829	100.0
70.53622	1.0
71.01392	0.9
76.96929	0.3
78.98578	0.9
79.95748	1.5
80.96511	8.9
85.02997	0.4
94.98100	2.7
101.02459	0.6
106.98089	0.4
122.97591	0.6
125.02437	0.5
134.97614	0.8
136.99168	0.4
148.99156	0.8
152.98648	1.3
155.56172	0.3
164.79016	0.3
164.98598	1.9
182.99879	0.3
206.99771	0.3
225.00702	2.5
277.21841	0.7
278.22131	0.6
279.22360	0.4
318.87354	0.3
490.34039	0.3
498.37851	0.4
528.45551	0.3
577.26819	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	576.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63683	0.1
61.67276	0.2
61.98828	100.0
69.24339	0.7
69.24761	0.9
70.42678	0.2
78.95933	0.2
80.52098	0.2
80.96522	0.8
225.00760	0.3
254.09550	0.2
277.21680	0.4
278.22095	0.4
279.22397	0.2
428.81110	0.2
577.26801	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	10.4
61.98829	7.9
71.01380	2.7
71.52540	1.3
73.02933	1.3
74.40146	0.8
82.78698	0.8
89.02450	2.6
101.02441	2.7
113.02458	1.5
119.14864	0.9
176.47319	0.9
184.34004	0.9
207.10088	1.0
209.11781	1.9
235.08211	2.5
239.29216	1.1
249.26778	1.0
253.09267	9.8
279.23276	100.0
280.23688	4.8
291.19623	1.6
293.21188	1.4
301.47095	0.9
375.54871	0.9
378.65921	0.9
446.13412	0.9
575.36011	1.2
587.41278	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92026	0.5
53.46180	0.4
53.88199	0.5
54.40526	0.4
59.01379	14.4
61.98826	4.0
71.01368	2.9
73.02932	0.7
85.02943	1.2
89.02447	2.0
95.42548	0.5
101.02444	3.0
113.02436	1.3
119.03477	1.2
120.09486	0.4
158.83842	0.5
161.04521	1.0
182.12148	0.5
189.82378	0.5
225.11281	0.6
229.49033	0.6
235.08206	1.9
237.17621	0.5
239.77847	0.4
253.09267	13.1
279.23270	100.0
280.23557	4.5
299.83575	0.4
482.35849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.5
59.01376	1.2
65.03997	0.5
69.03459	0.7
71.01382	2.2
72.99323	1.0
73.02941	5.1
73.39249	0.5
75.94662	0.5
77.28645	0.6
79.32243	0.6
81.03479	1.3
83.05027	2.4
85.02954	3.1
93.03460	17.7
95.01391	0.9
96.95998	1.5
99.00877	2.5
99.04521	1.6
108.02173	42.8
109.02959	13.3
111.04526	9.4
113.02452	1.1
121.02979	0.6
123.00910	1.1
123.04503	0.6
129.01956	1.2
135.04483	1.0
137.02434	3.1
143.03435	0.7
150.03336	0.8
151.03957	1.0
152.01147	94.1
153.01894	4.7
155.03491	2.2
163.04001	3.9
165.05605	0.9
173.04538	5.7
177.01941	1.0
212.34782	0.5
241.07188	1.6
242.64873	0.6
285.06094	1.4
327.27487	0.6
399.09308	22.3
400.09354	1.0
417.10376	20.6
418.93225	0.5
555.13519	1.8
573.14545	100.0
574.14795	6.9
586.81775	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80964	0.9
55.01866	1.1
57.03430	1.9
59.01373	13.7
61.98820	3.9
68.99811	2.2
69.03445	1.5
71.01380	16.3
71.28248	0.8
71.52850	1.1
72.99304	6.0
73.02929	2.5
75.00867	14.5
81.03468	0.9
83.01366	1.9
85.02947	17.8
87.00859	5.5
88.98800	1.2
89.02435	5.2
91.03998	1.1
93.03468	1.8
95.01371	3.6
96.95995	3.2
99.00879	12.1
101.02428	1.2
103.00375	1.9
111.00859	1.2
113.02443	20.7
115.00338	1.7
117.01934	2.7
117.03463	3.3
119.05025	59.3
120.05354	1.9
129.01929	3.2
134.03682	0.9
141.63156	0.9
142.73048	0.8
145.02954	18.7
147.04478	0.9
150.65483	0.9
163.04002	46.3
164.04327	1.8
175.02481	2.7
205.05176	1.0
207.05090	1.5
231.05040	1.5
237.07649	2.4
249.06145	23.4
253.12553	1.2
267.07220	27.5
351.10806	3.0
353.08755	1.7
381.69873	1.0
395.09894	6.7
413.10889	42.9
414.11386	1.2
438.66895	0.9
455.11426	1.5
455.51288	0.9
562.78015	1.0
575.16107	100.0
576.16400	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	571.2886
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
54.43746	0.4
55.35768	0.4
59.01373	0.8
59.10873	0.3
69.55627	0.3
70.82349	0.8
78.95901	53.8
95.11255	0.3
96.96960	12.1
109.35246	0.4
117.22247	0.4
134.98564	0.5
145.63376	0.5
150.98067	1.1
152.99580	51.0
171.00647	0.9
212.60995	0.4
223.00031	1.8
241.01167	29.1
242.01468	0.6
255.23273	70.4
256.23657	2.3
257.74173	0.4
315.04889	7.5
333.06064	0.5
359.38080	0.4
391.22589	4.9
571.28839	100.0
572.29053	6.5
586.86115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
61.98829	100.0
71.01377	0.4
71.08322	0.5
72.53035	0.2
88.13807	0.2
89.02439	0.3
99.00820	0.2
113.02461	0.2
134.63371	0.2
156.74628	0.2
180.74374	0.2
345.46854	0.2
508.35873	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28897	1.0
59.01373	2.3
61.98827	94.8
69.30302	0.8
69.30636	7.7
71.34245	1.1
71.89496	0.8
84.27178	0.8
96.95992	0.9
112.64344	1.0
125.02356	1.0
151.00365	1.7
165.05557	1.0
167.96286	0.9
178.99850	1.0
220.17461	0.9
230.02145	1.5
241.01419	4.9
242.02170	9.1
243.02937	1.8
257.00879	1.0
258.01633	9.6
269.00888	2.2
270.01663	3.8
271.02335	1.1
272.03293	1.8
273.04050	13.4
286.01144	6.8
287.02145	2.1
287.05573	3.4
301.03476	11.8
304.47589	1.1
315.01498	2.6
315.05066	1.5
316.05887	6.4
317.55429	1.2
329.03006	7.7
330.03824	2.6
344.05319	36.1
345.06097	6.3
387.07263	1.0
397.98898	1.1
507.11371	100.0
508.11539	6.5
573.05829	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.0
61.98826	100.0
71.01361	0.4
71.53967	0.2
71.54398	0.2
75.00846	0.1
76.65322	0.1
85.02967	0.2
88.98808	0.3
89.02425	0.2
96.96007	0.3
101.02463	0.2
109.03004	0.2
113.02415	0.2
160.41708	0.1
167.98639	0.2
250.08784	0.1
252.83931	0.2
283.01926	0.2
329.75110	0.2
338.70212	0.1
461.57617	0.2
510.36807	0.3
545.29071	0.2
571.23877	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39013	0.2
60.86857	0.1
61.98829	100.0
68.47854	0.2
69.60349	0.2
71.53156	0.3
73.63459	0.1
75.93102	0.2
85.40032	0.2
140.62317	0.2
141.34686	0.2
145.02974	0.7
160.83487	0.2
163.03961	0.2
223.92795	0.2
236.85390	0.2
299.33145	0.2
327.08951	0.2
360.30045	0.2
376.32980	0.2
505.27896	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66185	0.7
55.01864	1.9
57.03439	4.1
57.83237	0.7
59.01377	24.9
61.98828	4.0
67.01905	0.8
69.03459	0.7
70.07964	1.0
70.08372	1.8
71.01382	18.4
71.01778	1.2
72.99304	3.7
73.02940	4.4
75.00871	26.3
83.01374	3.1
85.02948	27.2
87.00869	5.4
89.02434	2.4
95.01382	2.7
96.95999	2.8
99.00875	10.0
100.48647	0.7
101.02428	5.5
103.00374	0.6
111.00883	0.9
113.02449	24.6
115.00349	1.8
117.01938	1.2
119.05051	0.7
121.85556	0.6
125.02487	0.9
129.01936	1.0
131.03532	1.1
154.98929	0.5
157.01416	0.9
159.02905	0.7
161.04477	1.9
175.02458	2.4
201.41548	0.5
234.29622	0.6
241.07634	0.6
305.19617	2.5
336.35446	0.6
405.21768	0.6
419.22855	1.6
507.05441	0.6
507.35089	1.0
523.23901	100.0
524.24042	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	568.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01941	0.3
56.60102	0.2
58.98561	0.2
61.98826	100.0
69.48109	0.7
69.48520	0.8
79.93918	0.2
99.17379	0.2
110.23592	0.3
145.03012	0.8
249.22417	0.2
332.64084	0.3
386.49915	0.3
395.96045	0.3
505.28156	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89957	1.2
55.01880	3.4
56.86116	1.1
57.03444	4.5
58.00583	1.6
59.01377	67.8
60.99297	2.1
61.98826	26.4
65.56217	1.0
69.03458	1.3
71.01382	36.8
72.99300	2.8
73.02942	11.7
75.00861	2.1
75.43138	1.1
83.01383	5.3
85.02943	16.5
87.00862	3.4
88.98800	9.5
89.02449	17.0
95.01382	3.4
99.00896	4.3
101.02439	29.2
101.03104	1.8
111.00861	1.7
113.02441	15.6
116.92842	2.2
119.03503	8.9
125.02506	1.6
132.54758	1.3
143.03470	1.6
149.04529	1.4
159.03067	2.8
160.01682	1.9
161.04564	12.2
179.05652	8.2
213.18526	1.8
227.07101	2.5
246.71046	1.3
343.28412	10.6
461.31235	1.4
466.72501	1.4
505.33804	100.0
506.33878	5.6
565.27960	3.8
585.87848	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.4
57.03452	3.6
59.01381	28.9
59.55338	0.6
61.98814	0.8
63.36536	0.7
71.01382	20.0
71.53532	1.3
72.99316	4.7
73.02949	3.3
73.73892	0.7
75.00874	23.3
81.64681	0.7
83.01391	2.4
85.02947	22.1
87.00874	5.4
89.02443	7.0
95.01385	2.5
97.02957	1.0
99.00877	8.3
101.02436	5.5
104.80380	0.7
113.02451	22.1
115.00353	2.0
117.01931	1.3
119.03480	1.6
129.01938	1.6
131.03549	0.8
138.05609	1.4
144.85168	0.7
157.01373	1.1
173.04538	1.4
175.02466	2.7
234.60429	0.7
240.05353	1.7
255.07776	1.3
268.09787	1.8
293.09259	2.1
311.10376	6.8
325.80276	0.8
329.11224	0.9
387.11884	1.9
401.41571	0.7
491.16687	1.9
523.20288	100.0
524.20782	4.3
550.56500	0.8
567.26947	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	565.359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.1
58.00587	4.4
59.01376	100.0
61.98834	19.4
66.13917	2.8
71.01387	65.1
72.99306	5.1
73.02941	8.4
83.01372	4.6
85.02940	17.9
89.02442	68.5
95.01385	4.1
101.02445	45.2
113.02435	34.9
115.45069	2.8
119.03495	32.6
119.43888	2.7
125.02445	3.4
128.10132	2.8
141.12808	2.9
143.03467	9.3
149.04507	4.7
155.14410	3.2
161.04535	24.7
179.05618	27.0
185.15471	4.2
253.09225	8.1
293.21173	15.5
297.27911	4.0
325.27301	3.9
343.28482	28.8
344.36725	3.1
505.26450	6.1
505.33783	97.4
506.34140	6.2
565.27936	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90880	0.1
55.01877	1.2
57.03447	4.1
58.00599	0.7
58.03790	0.1
59.01377	67.6
60.01719	0.4
61.22726	0.1
61.98832	1.2
67.01886	0.1
67.42381	0.1
68.99825	0.3
69.03450	1.1
71.01379	15.8
71.05014	0.2
71.53265	0.2
71.53646	0.2
72.01730	0.2
72.99306	0.9
73.02942	5.4
73.38698	0.1
75.00867	0.6
81.03470	0.5
83.01384	4.2
83.05050	0.1
85.02948	10.3
86.00078	0.7
87.00873	1.4
87.04513	1.5
89.02447	0.9
95.01376	2.3
97.02937	1.0
97.06606	0.4
99.00874	2.5
99.04538	0.2
99.08158	0.2
101.02438	10.9
109.06591	0.3
111.00874	2.3
111.08202	0.2
112.01674	1.0
113.02448	7.5
113.09740	0.3
115.04002	0.4
123.04539	0.1
123.08166	1.4
124.01659	1.0
125.02429	2.1
125.09720	0.4
129.01935	0.5
129.09222	0.2
135.08154	0.4
139.11272	0.4
141.01961	0.3
141.09221	0.7
141.12848	1.3
142.02696	0.1
143.03502	1.5
143.10767	0.8
149.99503	0.1
151.11409	0.2
153.09200	1.4
155.10861	0.2
157.12334	0.2
159.02986	1.1
161.04547	1.6
169.12302	0.8
171.13896	3.0
173.11751	0.4
181.12405	0.3
183.13913	0.2
185.15491	0.2
187.13379	1.6
199.13341	0.4
200.14160	0.6
201.14954	3.2
211.13379	0.1
213.15033	0.3
217.14424	0.9
255.06596	0.1
256.06879	0.2
256.94516	0.2
258.05194	0.1
271.09509	0.2
271.22742	0.2
277.21616	0.4
279.23196	0.2
313.27325	0.3
315.25372	1.7
329.22614	0.2
341.26868	0.5
343.28525	1.1
344.18292	0.2
359.27966	2.6
360.28149	0.2
361.29553	11.4
362.29929	0.4
371.27985	0.2
373.29678	0.2
403.30515	0.3
431.30118	0.3
447.73703	0.1
457.31592	0.8
459.29346	0.3
469.31677	0.3
475.32596	1.1
487.32703	0.2
502.26236	0.3
503.32230	0.7
505.33768	100.0
506.34045	4.9
523.34821	24.8
524.35028	1.4
565.35999	3.7
566.34796	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84861	1.1
51.08559	1.2
51.12556	1.3
57.03443	86.8
59.01376	12.6
61.98820	17.7
69.03444	3.8
71.01373	6.7
71.52889	1.7
73.02923	5.1
82.14121	1.4
83.04993	1.9
85.02943	2.7
89.02433	1.7
94.75222	1.3
97.06565	2.7
101.02422	3.6
108.02090	2.1
111.08124	6.4
113.02439	2.4
121.02938	22.7
129.82564	1.3
144.89809	1.2
165.12834	55.1
166.13120	1.6
178.06329	35.2
179.03522	1.7
179.07092	8.7
183.13876	41.3
189.12823	1.8
193.08673	100.0
194.09045	2.2
203.14374	2.8
207.13792	3.3
209.11745	7.9
221.15395	5.6
227.12837	27.2
231.13918	4.6
233.11792	5.2
249.14960	5.5
251.12874	11.2
265.14468	7.6
269.14029	2.3
275.12820	4.9
293.13910	48.5
294.14288	2.0
304.40610	1.4
311.15012	3.5
335.15082	1.7
353.15933	1.8
371.17105	16.9
408.51093	1.5
419.19238	2.3
478.42294	1.5
505.33539	7.5
565.26379	71.3
566.26605	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	565.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46312	0.5
52.72035	0.4
55.01886	1.2
57.03450	4.4
57.56663	0.4
58.00583	1.1
59.01377	45.3
61.98830	3.4
67.01881	2.8
68.99811	2.7
69.03452	2.0
69.71790	0.5
70.72112	1.1
71.01380	28.6
71.05025	0.7
72.99306	1.8
73.02945	3.6
75.00869	2.2
83.01388	2.7
83.05013	0.6
85.02946	26.0
85.23064	0.4
86.00087	0.7
86.03246	0.5
87.00871	7.5
87.04499	0.5
88.98806	0.9
89.02442	9.3
91.04001	2.0
93.03465	0.5
95.01384	5.4
96.95993	0.6
97.02936	1.2
97.06594	0.6
99.00880	1.9
99.04508	0.6
101.02445	7.6
103.00369	1.5
108.02208	0.6
109.02921	1.2
111.00888	3.5
111.08168	2.5
112.01682	1.6
113.02446	35.1
116.92886	0.6
119.03497	2.5
121.02950	1.0
125.02461	1.8
127.03941	0.6
129.01926	3.1
131.03494	0.7
135.04523	1.1
137.02431	0.6
139.00359	2.2
143.03505	2.1
149.02470	0.7
149.04539	0.7
149.06024	0.6
152.01065	1.1
157.01434	1.0
158.31203	0.5
161.04536	2.9
165.12840	24.9
169.05042	0.8
179.05638	1.0
183.13889	73.9
184.14267	1.8
189.04041	1.0
201.11313	0.6
205.07146	5.5
209.11832	4.3
227.12883	6.6
231.04993	0.7
249.06056	3.3
263.07669	9.0
271.05981	0.8
271.09692	1.4
281.08768	26.1
282.09094	0.6
301.10883	1.7
301.16522	8.9
315.25223	0.7
315.71167	0.6
343.21432	0.5
343.28717	0.5
361.29639	3.0
397.18750	0.6
415.19574	1.5
473.20300	1.6
473.27701	0.6
491.21460	1.0
505.26462	5.0
505.33749	19.9
506.34183	1.0
521.22382	4.3
523.27515	5.1
523.34961	3.5
533.22046	1.5
565.24957	100.0
566.25354	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57555	0.2
55.01870	1.5
57.03447	2.7
58.00583	1.3
59.01377	74.4
60.01705	0.4
61.98830	1.4
65.42045	0.2
66.28714	0.2
68.99805	0.2
69.03459	1.2
69.32047	0.6
69.32469	1.0
71.01379	23.6
71.05010	1.0
71.42081	0.2
72.01737	0.3
72.99290	1.4
73.02942	7.4
75.00878	0.6
76.37254	0.2
81.03460	0.7
83.01385	6.2
83.05019	0.4
84.02174	0.3
85.02949	13.8
85.06585	0.3
86.00103	0.6
86.65541	0.2
87.00877	2.5
87.04498	1.0
89.02441	6.0
95.01385	2.6
96.96029	0.2
97.02937	1.5
97.06582	0.4
99.00878	3.6
99.04520	0.3
99.08148	0.2
101.02439	17.7
111.00870	2.8
111.01596	0.3
111.08174	0.3
112.01662	0.9
113.02444	11.9
115.03997	0.6
117.05518	0.2
119.03490	1.8
121.10232	3.7
124.01669	0.6
125.02435	2.3
125.09727	0.6
127.11260	0.5
129.01944	0.8
131.03543	0.4
137.09721	0.6
138.47090	0.2
139.11266	0.3
141.01950	0.6
141.12834	2.0
143.03500	2.3
149.04547	0.4
151.11270	0.4
153.12822	0.4
155.10764	0.6
155.14413	0.3
157.12337	1.0
159.03008	2.0
161.04536	4.9
162.04898	0.2
165.12895	0.3
169.12370	1.0
171.10262	0.5
171.13885	3.6
179.05582	0.5
181.12346	0.4
183.13899	0.8
185.11729	0.3
185.15482	0.2
187.13449	1.0
193.69843	0.2
197.11836	0.5
199.13351	0.7
201.14946	9.2
202.15303	0.3
209.11780	0.2
211.13382	0.5
213.14944	0.5
227.16460	0.3
229.18109	0.4
253.09378	1.4
271.22586	0.2
282.91162	0.2
294.17041	0.2
299.08862	0.2
299.25757	0.5
315.18158	0.7
319.17551	0.3
323.25803	0.3
327.21683	3.9
333.19070	1.0
341.26962	2.3
345.19147	3.9
354.30023	0.2
359.28009	5.4
359.55533	0.2
363.20160	3.3
364.20401	0.2
371.20679	1.2
383.27704	0.4
397.29666	0.3
433.28067	0.6
443.29962	0.4
455.30164	0.4
467.29837	0.4
473.31137	0.9
485.31113	1.0
501.30750	0.5
503.25186	8.1
503.32172	100.0
504.25763	0.4
504.32507	5.9
521.33264	20.7
522.33417	1.1
563.34686	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.5
57.03446	2.0
58.00587	0.6
59.01377	25.2
61.98820	1.1
62.39827	0.3
65.95506	0.3
69.03455	0.7
69.56499	0.3
70.00455	0.3
70.93701	0.7
71.01381	10.1
71.05019	0.5
71.37170	0.3
72.99309	0.7
73.02940	2.4
75.00896	0.9
81.03448	0.5
83.01367	1.7
83.05023	0.8
84.02168	0.4
85.02946	7.6
87.00867	1.6
87.04532	0.3
89.02442	8.1
91.04002	0.4
93.03437	0.4
95.01397	0.8
95.05027	0.9
96.96009	2.1
97.02956	1.0
97.06579	4.0
98.95596	1.2
99.00878	1.0
101.02441	8.6
101.06905	0.3
106.61789	0.3
110.73370	0.3
111.00844	0.5
111.08174	0.4
113.02451	6.6
119.03530	2.1
124.01653	0.7
125.02449	1.1
125.09728	1.1
127.11272	1.6
131.03482	0.3
137.09727	0.7
143.03479	1.0
149.99609	0.8
155.10796	1.2
155.14410	0.6
161.04536	4.5
165.12842	1.3
167.10774	0.4
167.14482	0.8
168.00638	1.6
171.10260	7.6
171.13858	0.3
177.12814	0.9
179.05582	1.7
181.12355	0.5
183.13895	3.6
185.11745	1.5
193.12337	1.3
197.11816	0.7
199.09767	0.3
201.15027	0.4
203.10750	0.5
209.11792	1.7
211.13379	20.5
212.13748	0.4
221.11798	3.5
227.12828	0.5
229.14415	15.8
230.14709	0.5
239.12868	2.1
247.20827	0.4
253.09268	42.6
254.09547	1.0
269.04575	1.1
291.19638	4.7
297.03952	0.7
309.20700	2.8
315.05054	0.5
327.21741	100.0
328.22086	3.9
359.28073	1.4
412.14374	0.3
503.25555	0.5
503.32227	13.9
504.32422	0.8
519.20709	2.0
521.26117	0.5
521.33221	4.4
537.85272	0.3
563.15021	1.5
563.22894	0.7
563.30621	3.1
564.14923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33363	0.4
57.03435	0.3
59.01112	0.4
59.01374	2.8
61.54117	0.3
69.32589	3.6
71.01379	1.8
73.02942	0.6
75.00864	0.8
79.13421	0.4
85.02956	1.7
91.05531	0.6
93.03454	1.6
95.01352	0.4
96.96014	1.1
101.02470	0.6
103.09765	0.4
109.02985	2.4
111.04514	0.5
113.02445	0.7
115.00328	0.4
117.03473	3.9
119.05027	0.9
121.02971	0.6
123.04556	0.7
125.02473	0.6
127.07674	2.1
129.01910	0.9
131.04948	0.6
134.03758	0.6
135.02983	0.6
135.04498	1.8
137.02422	0.7
145.02975	0.5
147.04489	0.5
149.02431	0.9
149.06108	0.6
159.04495	1.8
161.02414	1.8
163.03957	1.0
171.06621	1.6
173.04483	0.8
173.05975	0.9
175.02588	0.6
175.04048	1.2
177.01906	0.5
177.05579	1.3
179.03558	0.8
189.01852	0.9
189.05547	1.1
191.03493	1.0
192.21938	0.4
193.05025	0.6
197.06082	0.7
203.03493	1.4
205.03482	0.6
211.07379	0.4
221.04552	0.8
224.08340	0.4
227.91374	0.4
237.05576	0.6
241.05008	1.1
251.07228	0.5
253.08716	0.8
255.06552	1.2
265.04858	0.6
267.06641	1.0
268.07458	0.6
269.04828	0.4
269.07843	0.4
271.02420	0.7
279.06604	0.5
280.07507	0.6
281.08102	0.6
282.05447	1.8
283.05960	2.5
295.06088	4.8
295.09280	0.8
296.06830	1.8
297.07660	16.0
298.08102	0.5
299.09283	0.6
307.06110	2.5
309.07794	2.4
311.05548	2.8
313.10760	1.3
323.05652	3.3
324.06412	1.0
325.07086	7.0
328.05768	3.2
335.05582	1.2
337.07184	2.9
341.06744	0.7
344.12613	4.3
347.05774	0.6
351.05081	0.7
353.06625	34.3
354.07010	1.5
355.08270	1.1
356.05316	0.9
357.09802	2.3
359.14975	13.0
365.06680	4.6
367.08163	0.8
383.07690	24.2
384.08011	0.9
395.07541	2.3
397.09192	0.6
401.16095	3.7
407.07544	1.1
413.08606	3.1
425.08652	1.4
443.09796	8.2
455.09756	1.1
463.82629	0.5
473.10828	4.8
503.11926	1.6
503.18756	0.8
545.13104	1.1
563.14008	100.0
564.14404	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	563.1402
Annotation	Corymboside
Peak:m/z	Relative Intensity
54.54518	0.3
59.01381	2.7
61.64460	0.4
66.79713	0.3
69.48840	2.6
71.01375	2.3
71.11216	0.3
73.02925	0.6
73.93817	0.4
75.00871	0.6
76.67998	0.3
79.01913	0.5
80.68996	0.3
83.01413	0.5
85.02950	1.2
87.00842	0.8
89.02446	0.4
93.03494	1.8
95.01389	0.7
96.96006	2.6
98.19790	0.5
101.02443	0.8
102.25848	0.4
104.20680	0.4
109.02950	1.5
111.00832	0.7
113.02489	0.4
115.00353	0.9
117.03458	4.9
119.05037	1.3
119.22392	0.4
121.02943	0.4
123.04546	0.8
125.02425	0.6
128.79935	0.4
129.02008	0.4
135.04533	3.0
137.02415	0.6
143.47067	0.4
145.02931	0.6
147.04462	0.9
149.02449	0.9
151.00395	0.5
159.04437	1.1
161.02449	2.5
161.06139	0.4
163.04012	1.5
173.06062	1.2
175.02460	1.8
175.03990	1.6
175.14987	0.4
177.05563	1.6
179.03470	0.5
182.02200	0.5
185.02643	0.6
187.03969	0.7
189.01900	1.1
189.05597	1.5
190.06313	0.6
191.03482	1.7
197.04425	0.4
201.01740	0.6
203.03459	1.6
205.03435	0.5
205.05121	0.7
217.05054	0.7
221.04449	0.6
223.04535	0.5
226.02631	0.5
227.03529	0.9
233.04547	0.8
240.04247	0.6
241.05101	1.3
245.04590	0.4
251.07329	0.4
253.08708	0.7
255.06607	0.9
258.81577	0.4
262.06430	0.4
267.06476	0.7
268.07477	1.1
271.02408	2.2
279.06653	0.5
281.04486	0.9
282.05405	2.1
283.06030	3.5
293.04312	0.5
295.06189	5.1
295.09399	0.7
296.06879	2.0
297.07635	19.0
298.07962	0.6
307.06085	1.8
309.07657	2.3
311.05618	3.3
313.10767	0.5
323.05670	4.0
324.06461	1.1
325.07187	9.0
328.05780	3.1
329.09888	0.5
335.05591	1.7
337.07150	3.0
344.12662	2.5
351.05136	0.8
353.06647	37.7
354.06949	1.4
355.08270	1.2
356.05328	1.8
357.09708	1.5
359.10559	0.7
359.14963	8.7
364.69989	0.4
365.06610	6.4
366.07016	0.5
381.06058	0.5
383.07703	27.3
384.08194	1.5
395.07788	2.8
401.16006	3.1
407.07516	1.1
413.08780	2.8
425.08829	2.3
443.09821	6.9
473.10858	7.5
474.10995	0.6
503.12061	3.4
503.18823	0.5
545.12555	2.1
563.14038	100.0
564.14429	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	563.104
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.94433	0.7
58.67237	0.9
59.01379	9.9
69.42385	2.0
69.42791	3.8
69.80315	0.8
71.01388	4.1
71.12016	0.7
73.02945	4.5
83.01410	1.7
85.02934	1.1
96.96025	1.8
98.19936	1.5
101.02435	3.7
107.01365	0.9
108.02163	1.0
113.02440	2.7
131.03555	1.2
151.00398	5.2
160.05321	1.2
183.04510	1.6
185.02419	0.9
187.03961	1.4
189.05556	1.1
190.06360	1.1
199.04019	6.3
205.08775	1.2
215.03491	2.1
226.02631	0.9
227.03470	5.4
231.24078	1.0
243.02959	19.0
244.03671	2.0
254.02252	1.2
255.02965	20.7
256.03629	1.5
269.33658	0.8
271.02475	39.0
272.03058	3.6
285.04053	0.9
287.05457	1.1
299.01953	66.1
300.02701	27.7
301.03214	1.4
314.04312	41.5
315.05087	100.0
316.05374	2.9
341.14005	3.8
503.19348	1.4
519.11401	48.9
520.11609	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.4
58.61827	0.4
59.01375	2.9
64.57262	0.4
67.73186	0.4
69.96177	0.9
69.96561	0.8
71.01377	2.3
73.02940	0.6
73.28903	0.4
75.00866	0.8
79.01891	0.5
83.01390	0.7
85.02936	1.8
87.00870	0.7
88.98804	1.2
89.02441	0.9
93.03454	1.2
95.01363	0.6
96.96006	1.1
99.00875	0.7
101.02423	1.0
108.02172	0.6
109.02955	2.3
111.00842	0.5
113.02442	0.7
117.03455	4.7
119.05003	1.1
125.02436	1.0
125.29258	0.4
127.07626	2.2
133.06583	0.6
134.03705	0.6
135.04538	2.0
136.11568	0.4
137.02429	0.9
145.02829	0.4
147.04503	0.6
149.02417	1.1
149.06039	0.7
152.01126	0.6
159.04526	1.0
161.02440	1.7
161.06137	0.8
163.03928	1.1
165.05478	0.6
171.06575	1.4
173.05908	1.0
175.03986	1.9
177.01927	0.6
177.05551	1.3
179.03500	0.7
189.01836	0.5
189.05550	1.1
191.03503	1.7
201.05589	0.5
203.03532	1.4
205.08731	0.5
217.05029	0.8
221.04428	0.7
223.04590	1.3
225.05606	1.3
232.60870	0.5
233.04532	1.0
237.05467	0.5
238.06436	0.5
241.05038	1.0
246.34285	0.4
251.07121	0.7
255.06586	0.9
267.06631	0.5
268.07440	1.3
281.04449	0.6
282.05341	1.6
283.05978	3.9
295.06076	4.0
296.06760	2.5
297.07657	16.7
298.08029	0.7
299.08966	0.5
305.06647	0.5
307.06036	2.2
309.07703	1.6
311.05704	3.3
313.10922	0.7
318.07437	0.5
323.05524	2.6
324.06314	0.8
325.07104	7.4
328.05823	2.1
335.05600	1.6
337.07202	2.5
341.06726	0.5
344.12592	2.4
353.06628	31.3
354.07077	1.2
355.08273	1.2
356.05313	0.7
357.09799	0.6
359.14984	7.2
365.06558	4.1
383.07690	18.2
384.07947	0.9
395.07803	2.5
401.15970	1.8
413.08752	1.9
419.07779	0.4
425.08716	1.0
443.09735	10.3
444.10498	0.5
455.09595	1.0
473.10919	5.2
485.11261	0.6
505.61618	0.5
545.12946	0.7
563.14001	100.0
564.14246	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	563.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	17.0
65.00342	0.8
69.17213	4.7
69.17634	1.9
71.01051	0.8
71.01380	7.4
73.02946	7.6
83.01380	2.9
85.02933	1.9
86.69707	0.6
87.00889	1.1
87.49323	0.7
88.98822	0.9
89.02446	3.3
96.05976	0.7
96.96006	0.7
101.02441	9.1
107.01366	1.2
108.02181	1.5
113.02437	4.7
119.03471	0.9
125.02465	0.9
143.05127	0.7
145.02879	1.1
149.04544	0.9
151.00395	4.4
159.04521	1.0
160.05302	1.5
161.04527	2.0
163.00400	0.9
172.05286	1.0
183.04504	1.6
185.02403	0.7
187.03975	1.0
189.05495	1.5
190.06302	2.2
193.71471	0.7
199.04018	5.5
203.49388	0.8
205.08646	1.6
211.03987	0.9
215.03438	1.1
227.03462	6.8
243.02951	19.1
243.05316	1.3
244.03589	1.6
251.12943	0.7
254.02205	0.9
255.02985	17.7
256.03433	1.0
259.06021	0.7
271.02454	36.1
272.03082	4.4
285.03949	1.2
287.05640	1.2
299.01944	62.0
300.02682	28.6
301.03214	0.8
311.12845	1.0
313.03244	0.7
314.04300	41.2
315.05078	100.0
316.05417	3.9
341.13861	6.9
342.14423	0.6
503.19366	2.3
507.10266	0.9
519.11401	46.3
520.11987	2.6
563.22748	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.2
57.03444	9.2
59.01377	95.6
60.99278	2.8
61.98826	18.7
69.03455	5.6
69.15879	11.8
69.16307	12.4
71.01379	36.3
72.99300	4.8
73.02944	7.5
75.00883	4.5
80.02672	2.5
80.46969	2.2
81.03457	5.1
83.01392	12.9
83.05038	5.0
85.02956	11.9
87.00883	7.2
88.98816	30.3
89.02434	26.4
93.63043	2.1
94.31009	2.5
95.01380	3.3
95.05017	4.2
96.95972	2.9
97.02956	8.7
97.06584	20.7
99.00905	3.5
101.02441	33.0
101.06048	11.6
106.04253	2.6
109.03024	3.8
109.06595	3.0
113.02444	15.1
116.84204	2.6
119.03503	7.3
123.04524	7.5
123.08167	5.2
125.02454	4.7
125.09698	31.6
131.98924	2.4
135.08151	4.5
137.02365	3.5
137.09705	8.2
141.12843	3.8
143.03473	4.5
149.06068	5.2
149.40869	2.3
151.11322	3.7
155.74104	2.4
161.04530	17.0
163.11310	15.1
165.12816	10.6
167.10706	7.3
171.10258	12.4
179.05608	3.0
181.12364	7.6
183.13875	5.2
185.11818	28.5
191.10745	3.5
191.14407	21.9
207.10226	11.3
209.09883	5.1
209.11807	56.0
211.13341	6.9
225.11270	8.4
227.12901	10.7
237.11351	8.7
245.19060	40.9
246.19385	3.2
253.09253	45.8
255.78371	2.5
263.20084	7.5
269.98297	2.5
271.17111	4.6
289.18082	100.0
290.18411	4.7
301.43387	2.7
307.19110	62.4
308.19507	3.4
325.20264	2.7
341.65158	2.6
501.30719	4.7
561.25500	15.3
578.25232	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	561.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.9
58.00580	2.2
59.01380	55.8
61.98830	6.7
66.91381	0.9
70.53803	2.5
70.54138	1.0
71.01378	33.3
72.99309	2.8
73.02953	8.7
75.00867	1.7
82.05698	0.9
83.01363	2.4
85.02958	7.2
87.00859	3.9
89.02444	49.1
93.07104	1.0
95.01367	1.8
96.95997	5.5
99.04491	5.4
101.02435	14.7
103.03993	6.1
109.06530	0.9
111.04510	2.3
113.02440	10.4
119.02783	1.1
119.03500	10.3
125.02473	1.5
131.03482	4.1
135.04488	1.5
136.01636	1.3
139.62437	0.9
143.03479	1.5
149.04550	77.2
151.03961	2.0
161.04527	2.9
161.13345	11.2
179.05585	6.3
187.11278	4.2
198.54153	1.1
205.12300	33.8
249.11298	32.3
267.06775	1.3
297.07751	2.4
357.13492	2.9
381.15616	7.8
429.17630	29.1
430.17871	1.8
501.30579	3.5
561.21820	100.0
562.21661	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	561.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22868	0.7
55.01866	3.8
58.00560	0.8
59.01376	36.0
61.54106	0.8
61.98823	6.8
63.99246	1.3
64.35228	0.7
69.61177	1.7
69.61581	2.6
71.01373	19.8
72.99290	1.5
73.02945	13.5
75.00851	0.9
78.22594	0.7
79.46832	0.7
81.07077	1.2
83.01351	1.7
83.63434	0.7
85.02935	5.3
87.00864	2.2
89.02444	38.9
95.01373	1.1
96.95995	6.0
99.00896	0.8
99.04494	3.0
101.02437	11.0
113.02446	8.3
119.03500	9.4
121.46136	0.9
125.02417	1.0
131.03491	10.2
143.03526	1.9
149.04547	100.0
150.04837	1.3
161.04491	2.1
161.13354	9.6
169.48965	0.9
175.03944	1.9
179.05592	7.8
187.11244	1.6
205.12297	19.9
246.81911	0.8
249.11284	14.9
253.08769	1.0
263.07132	1.4
267.06747	0.9
269.08109	1.0
278.73431	0.8
279.06622	2.0
281.08163	2.6
291.06763	0.8
294.08817	2.1
297.07736	7.0
309.07629	10.3
309.11304	6.1
312.10065	6.3
323.09329	1.2
324.09918	4.1
327.08698	1.4
327.12369	19.6
328.12790	1.0
337.16400	0.9
339.12305	16.9
381.15424	3.0
385.18750	3.1
411.15820	1.2
429.17636	12.5
430.17789	1.1
561.21844	56.2
562.22369	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	561.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47557	0.6
57.03446	4.3
58.00597	0.7
59.01378	29.2
69.03461	0.8
69.38784	2.4
69.39207	3.0
71.01379	20.3
72.99302	1.3
73.02942	7.3
75.00882	1.1
81.68439	0.8
83.01439	0.9
83.28252	0.8
85.02936	6.9
87.00867	4.2
89.02443	43.8
95.01398	1.4
96.96002	3.5
98.20663	1.4
99.04520	3.9
101.02437	10.7
103.04009	6.0
108.02213	3.3
111.18577	0.6
113.02436	6.8
116.05090	1.0
118.32178	0.8
119.03509	8.5
121.02946	1.2
125.02450	3.0
129.01991	0.8
131.03510	2.6
143.03505	1.5
149.04550	100.0
150.04872	1.2
151.04063	1.3
152.01140	5.2
152.02190	0.8
152.03545	0.8
153.01582	2.3
161.13348	10.1
163.03960	0.8
169.07664	0.6
179.05583	6.1
181.05107	1.2
187.02477	2.1
187.11279	2.2
191.46442	0.9
205.12325	16.0
211.09669	1.5
249.11308	10.5
267.12186	0.8
357.13724	1.3
381.15469	3.1
385.18716	2.4
417.10370	1.2
418.10602	1.7
429.17603	10.3
433.32315	0.8
539.01440	0.8
561.21844	67.7
562.22229	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	558.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.2
61.98829	100.0
66.57719	0.3
69.50138	0.3
71.01387	1.1
73.02946	0.4
75.00876	0.5
85.02982	0.5
89.02438	0.5
96.96011	0.6
101.02461	0.9
102.05644	0.5
103.03994	0.5
107.09648	0.2
110.47224	0.3
113.02445	0.4
119.03474	0.3
125.02456	0.3
128.03554	0.5
146.04610	0.6
152.01157	0.4
165.05678	0.3
166.05029	0.4
253.06186	0.3
332.93558	0.3
417.10202	0.3
514.16846	0.5
558.21582	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73636	0.2
59.01371	0.6
61.98828	100.0
71.01375	0.4
71.24223	0.2
71.53873	0.3
73.02947	0.2
75.00888	0.2
96.96006	0.2
113.02509	0.2
152.01035	0.2
191.51540	0.2
232.50052	0.2
510.21683	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50814	0.8
57.03460	1.1
58.00587	1.0
59.01376	40.4
60.01356	0.8
61.98834	1.0
67.71820	0.8
69.03466	1.3
70.48396	3.1
71.01373	19.5
72.99310	1.8
73.02941	15.8
75.00864	1.1
83.01359	4.2
85.02946	7.2
87.00889	2.0
89.02435	19.8
89.53750	0.8
93.03451	1.1
95.01379	1.8
96.96017	6.1
98.95605	1.9
99.00851	0.9
99.04501	1.9
101.02445	20.0
103.03962	1.1
108.02164	1.7
109.02951	0.9
113.02439	6.7
119.03500	5.8
121.02933	4.6
122.03750	1.9
123.04503	1.8
124.01682	1.1
125.02457	1.8
131.03510	4.2
134.03729	2.1
136.01654	77.2
137.02371	3.4
143.03496	1.5
149.04552	26.6
149.05807	0.9
151.03998	100.0
152.04285	2.4
159.04489	1.6
160.05269	1.7
161.04585	4.4
161.13348	4.4
162.03244	1.7
163.04019	1.6
175.03969	0.9
175.07639	1.4
177.05562	1.8
178.41112	0.8
179.03412	1.1
179.05542	2.3
187.11166	1.6
193.05029	1.0
203.07205	1.3
205.05037	1.1
205.12321	9.4
249.11288	10.6
252.04230	1.8
253.08546	1.2
256.03976	0.9
263.07098	2.4
267.06638	2.5
281.08063	4.6
283.06067	0.9
291.06448	1.2
293.08099	1.2
296.64655	0.8
309.07678	14.0
309.11215	1.9
323.09155	2.4
324.09973	6.9
339.12268	15.7
342.10971	3.0
357.13391	98.9
358.13623	6.3
381.15338	2.6
408.78683	1.1
413.25223	1.0
429.17377	8.8
476.08887	1.0
501.30524	1.4
561.21869	25.7
562.22217	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	557.3094
Annotation	13beta-Hydroxymilbemycin A4
Peak:m/z	Relative Intensity
57.03458	2.5
59.01380	19.5
61.98839	16.6
64.27406	1.8
69.20677	3.7
69.21085	15.8
71.01381	7.4
73.02943	3.7
85.02950	4.1
89.02434	4.1
89.95907	1.7
96.96019	2.9
101.02453	7.2
113.02458	4.9
124.35107	2.1
201.55539	1.8
211.13477	2.8
211.23972	1.7
267.72574	2.0
446.19888	1.9
484.83694	1.8
500.01688	1.9
521.26636	1.1
521.33295	42.6
557.30994	100.0
558.31335	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	557.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.3
61.98825	100.0
62.98527	0.1
64.06850	0.1
70.66672	0.3
73.44982	0.1
78.95906	0.7
82.22573	0.1
96.20683	0.1
122.44787	0.1
152.99615	0.4
166.58060	0.1
172.37897	0.1
183.57753	0.1
255.23291	1.6
256.23657	0.7
257.23969	0.2
260.44409	0.1
287.22281	0.3
394.87607	0.1
480.31036	1.2
482.31296	0.2
483.31638	0.7
557.32202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	11.4
60.49396	1.4
61.98829	7.8
69.39045	8.9
69.39465	3.4
71.01371	5.0
83.04995	3.7
85.02975	2.1
88.98778	1.8
89.02444	4.4
93.03470	2.9
96.95984	1.4
98.19938	2.9
101.02435	4.8
109.02922	6.8
113.02432	3.4
121.02959	3.3
122.03736	10.8
123.04485	5.1
125.02460	2.0
133.02919	5.5
135.04456	2.7
146.58000	1.6
149.02415	16.5
150.03217	78.7
151.04012	15.1
159.04448	2.3
163.11237	2.1
164.04764	4.5
165.05551	69.7
165.12772	2.4
166.05870	1.8
173.06055	2.8
180.04260	3.7
181.05051	11.5
195.06618	42.0
203.06975	1.5
209.11809	100.0
210.12093	2.4
227.12833	17.4
241.05011	4.9
253.09207	15.4
267.06662	2.1
279.12103	2.3
281.88971	1.5
299.09161	2.5
313.10730	5.5
324.82629	1.5
344.12518	9.1
345.13373	2.7
359.14923	25.0
443.14999	1.7
445.20663	3.0
461.15848	6.4
507.20181	67.0
508.20572	5.2
555.22369	13.8
555.33850	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	557.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
56.35356	0.8
57.03437	2.9
59.01380	27.3
61.98822	6.3
62.84885	0.6
71.01376	22.4
71.53665	0.9
72.99304	5.9
73.02950	6.0
73.06249	0.8
75.00867	31.3
78.91867	1.5
83.01405	3.8
85.02943	23.8
87.00874	7.8
89.02431	3.4
95.01369	2.8
96.96020	1.9
97.02904	1.2
99.00267	1.1
99.00877	14.1
101.02441	5.0
103.00348	1.2
113.02441	27.7
115.00364	3.3
116.92896	0.9
117.01953	1.7
119.03558	0.8
125.02402	2.9
131.05019	1.0
132.05769	2.1
133.06587	82.5
134.06833	1.2
139.04027	0.9
143.03452	1.1
143.81088	0.9
149.04427	0.8
152.01192	0.8
157.01418	3.7
161.04541	3.2
165.05499	0.9
173.04478	1.1
175.02545	4.3
203.05618	1.0
217.03424	1.0
217.93126	0.7
251.75218	0.9
319.06503	1.3
409.15042	3.1
513.16058	100.0
514.16376	5.7
521.25989	1.3
557.24933	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	21.3
61.98823	0.5
71.07422	0.4
78.95898	17.9
96.96950	0.3
122.98518	0.3
143.05330	0.2
143.93837	0.2
152.99568	3.1
168.02954	0.2
168.04305	2.9
175.06699	0.2
224.06912	7.6
237.22337	0.2
239.62686	0.2
242.07964	1.5
249.39012	0.2
255.23259	100.0
255.65927	0.2
256.23645	3.4
480.30893	69.0
481.31256	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	555.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92233	1.3
59.01369	10.0
59.62575	1.3
61.98827	8.4
69.37831	9.2
71.01377	5.2
76.46893	1.3
80.86221	1.3
83.05019	5.0
89.02431	4.7
93.03418	3.4
97.27905	1.9
101.02429	3.3
108.02160	2.9
109.02927	8.3
113.02374	2.3
119.03507	1.6
121.02956	3.0
122.03761	9.0
123.04514	5.7
125.02412	1.5
133.02960	3.9
135.04494	2.8
138.38419	1.4
147.04498	1.6
149.02441	16.8
150.03224	74.2
151.04015	14.8
159.04498	4.1
163.11267	3.9
164.04797	3.1
165.05568	61.9
166.05841	1.7
180.04286	4.4
181.05034	6.7
189.05510	2.8
195.06621	37.0
209.11821	100.0
210.12126	3.0
227.12869	17.4
241.05077	4.4
243.62177	1.4
247.27310	1.5
253.09254	16.1
255.06590	2.8
267.06821	2.3
299.09314	3.3
313.10706	4.4
315.24969	1.3
344.12628	8.8
359.14926	23.6
443.14767	2.1
445.20566	3.0
450.38034	1.5
461.15988	5.3
507.20163	63.7
508.20273	4.4
555.22235	13.9
555.33472	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	554.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.0
61.98832	4.3
65.24881	0.8
74.49902	0.7
78.73060	0.9
78.95902	23.3
85.26396	0.9
91.79847	0.8
108.95229	1.1
152.99583	3.5
154.41631	0.9
168.04265	3.7
172.53999	0.8
224.06931	9.5
242.07997	2.7
249.57014	0.9
251.28149	0.8
268.27322	1.0
279.23270	100.0
280.23550	3.1
293.95804	0.9
504.30917	82.0
505.31229	4.6
554.27417	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96358	0.3
59.01384	1.9
59.63067	0.3
61.98829	100.0
69.36843	2.3
69.69176	0.3
71.01386	1.3
73.02978	0.6
75.00869	0.4
76.86301	0.3
85.02969	0.9
87.00914	0.3
89.02455	0.4
99.18836	0.3
101.02449	0.9
109.02911	0.3
113.02420	0.5
119.03541	0.4
150.03256	0.3
152.01323	0.3
195.06790	0.4
283.05984	0.4
470.28467	0.4
494.20346	0.5
507.20169	0.6
553.32623	0.5
554.32788	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10647	0.2
56.40334	0.2
57.00296	0.2
57.03443	0.2
59.01369	1.8
60.53185	0.2
61.98829	100.0
62.05743	0.2
69.26841	1.9
70.26417	0.2
71.01382	0.8
75.00890	0.3
78.68751	0.3
84.58499	0.2
85.02953	0.4
89.02448	0.5
99.04536	0.2
101.02449	0.5
113.02448	0.4
139.07674	0.8
152.01195	0.3
279.12320	0.4
502.34402	0.3
506.31815	0.2
554.29303	0.7
555.21393	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79103	0.2
59.01377	1.0
59.63128	0.2
61.98829	100.0
69.49570	1.2
71.01391	0.5
73.62753	0.2
75.00900	0.2
81.24136	0.2
81.91547	0.2
82.37103	0.2
85.02981	0.2
88.98814	0.2
89.02433	0.3
98.19954	0.4
100.98684	0.2
101.02474	0.2
113.02449	0.3
114.63164	0.2
119.03610	0.2
166.05048	0.4
190.71762	0.2
226.02705	0.4
227.03542	0.3
243.02995	0.2
270.01843	0.2
271.02475	0.5
282.05090	0.2
283.06140	0.2
285.04150	0.7
299.01941	0.9
313.03506	1.4
314.04593	0.2
328.06070	0.4
382.64059	0.2
461.07025	0.8
476.09467	1.2
491.11920	6.4
492.12491	0.4
494.21286	0.3
534.74072	0.2
550.13245	0.2
553.32361	0.7
554.32678	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16230	0.2
59.01374	0.5
61.98829	100.0
62.42323	0.2
69.58377	1.0
71.01395	0.3
72.68687	0.2
75.00896	0.1
88.98835	0.5
89.02449	0.3
101.02475	0.2
113.02428	0.2
117.17313	0.2
125.98450	0.2
135.78268	0.1
158.83231	0.2
165.05585	0.2
196.09525	0.2
494.20502	0.3
554.74994	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80024	0.5
56.44023	0.5
57.03430	0.8
69.03448	7.4
69.79788	2.8
71.01373	1.2
71.05019	2.0
83.05037	0.7
85.02386	0.5
97.06580	0.7
111.04490	0.6
112.98526	0.6
118.14270	0.6
123.08153	1.6
125.09692	3.0
137.09740	0.8
149.09741	0.7
151.11275	4.7
153.12860	2.3
161.09700	8.5
170.04793	0.5
179.10767	27.1
180.05634	0.6
182.72916	0.6
191.34534	0.5
197.11815	71.5
198.12187	1.9
223.09717	4.1
241.10803	11.1
255.23268	72.3
256.23627	2.2
291.93854	0.6
297.13409	6.2
315.14478	13.2
333.97473	0.5
479.21021	0.6
553.37433	100.0
554.37683	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	553.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03445	6.2
59.01375	33.9
61.98830	14.7
69.03461	1.2
71.01382	20.1
72.99309	4.5
73.02946	5.6
75.00869	27.0
78.95889	1.5
81.15601	0.9
83.01385	4.5
85.02945	27.2
87.00875	7.9
87.04520	1.3
88.98802	2.6
89.02442	3.3
93.03448	0.9
95.01392	2.1
96.96025	2.0
97.02958	1.5
99.00878	10.4
101.02457	7.9
109.02937	1.1
112.01628	1.0
113.02446	28.2
115.00363	2.2
117.01936	1.5
119.03507	1.3
119.05015	1.1
125.02438	2.3
135.04521	0.9
136.01610	1.2
137.02438	2.1
149.02483	1.7
150.03214	7.6
157.01447	0.8
161.04555	1.1
165.05588	7.3
171.10196	0.9
175.02455	3.6
175.03876	1.0
177.01790	0.9
195.06578	3.6
269.65585	0.9
291.18109	2.5
357.13870	1.2
405.21255	1.4
509.22333	100.0
510.22839	6.2
529.35217	1.0
553.27545	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	553.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
57.03442	4.5
59.01375	28.0
60.99306	2.7
61.98828	2.5
69.49559	4.8
71.00064	0.8
71.01375	19.9
72.99316	4.7
73.02936	4.0
75.00866	26.0
83.01386	2.8
84.02157	0.8
85.02943	28.4
87.00860	6.1
88.98800	22.4
89.02439	2.5
95.01382	2.8
99.00869	10.6
101.02421	7.6
113.02442	29.1
115.00377	1.3
117.01932	1.5
125.02441	1.1
129.01897	0.8
133.52953	0.7
140.48708	0.8
157.01385	1.3
161.04543	2.1
165.05527	0.8
175.02438	2.3
183.10231	0.8
194.03151	0.7
244.32726	0.8
274.47388	0.7
291.18039	3.2
405.21066	2.4
445.61594	0.9
509.22324	100.0
510.22748	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46478	0.3
55.01879	0.5
57.02021	0.4
57.03449	0.9
59.01377	6.2
61.74909	0.3
61.98828	1.6
69.03455	0.9
69.48685	1.7
69.49092	0.8
71.01389	4.8
72.99319	1.1
73.02958	1.2
73.43070	0.3
75.00877	1.6
75.01380	0.3
81.03509	0.5
83.01395	0.5
85.02956	2.4
85.61858	0.3
87.00875	0.5
87.04492	0.3
88.98792	0.4
89.02431	2.9
93.03462	10.1
93.04029	0.7
94.73395	0.3
95.01395	2.1
97.02957	1.0
98.20641	0.7
99.00889	0.6
101.02441	3.2
107.01403	0.8
113.02454	2.1
119.03509	1.0
121.02959	0.8
123.00897	9.5
124.01665	26.4
125.02460	12.6
125.03197	0.3
129.09215	0.5
134.03755	0.4
135.03011	1.0
137.02452	12.1
149.02435	0.7
149.09737	0.4
149.99590	39.1
151.00294	1.4
151.04037	0.8
161.04518	0.7
163.03967	0.6
165.01776	0.4
165.05652	0.4
166.99860	0.5
167.03485	0.6
168.00644	91.1
169.01425	5.8
179.03514	0.7
193.04973	0.5
201.05598	1.2
209.04524	0.7
209.11737	0.5
239.05595	0.9
239.61255	0.4
244.03821	0.7
245.04515	1.5
249.06128	0.5
295.11017	0.4
296.11136	0.5
300.02759	0.6
301.06039	2.2
307.90082	0.4
328.14172	0.4
365.36383	0.4
371.09644	0.4
372.12595	0.4
378.41553	0.4
391.27106	0.7
415.08719	1.3
433.09644	2.3
463.08813	1.4
493.22983	0.7
553.11920	100.0
553.31970	8.4
554.12238	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	551.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49574	0.9
58.06195	1.0
58.53602	0.9
59.01376	14.2
61.98841	0.9
65.85471	0.7
70.07594	3.7
71.01377	2.5
79.03935	0.9
89.02470	2.0
101.02453	2.6
113.02433	2.1
119.03510	1.2
124.27876	0.7
132.39854	0.9
235.08206	1.8
253.09326	12.4
255.23286	100.0
256.23602	3.0
513.47028	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00296	0.8
56.91478	0.7
59.01376	2.3
61.98825	7.0
69.46548	4.7
70.83224	0.8
78.95900	6.7
87.71292	0.9
88.76246	0.7
88.76811	0.7
90.17114	0.9
98.19800	0.9
109.99666	0.7
111.84371	0.7
143.54315	0.8
152.99663	1.2
163.85912	0.8
168.04315	1.2
182.93340	1.0
195.15457	0.8
205.36996	0.7
224.06854	1.0
242.07938	3.4
255.06656	1.0
277.21713	100.0
278.22025	3.6
278.51782	0.9
330.21097	0.9
330.87012	0.9
502.29422	43.5
503.29584	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00053	1.2
56.23868	1.2
57.03439	1.0
58.00576	1.5
59.01382	19.7
60.99303	12.0
61.98827	14.7
65.00322	1.5
69.67724	7.3
71.01373	12.8
72.99306	2.2
73.02956	3.6
83.01376	2.9
85.02950	4.7
87.00869	1.9
88.98799	73.6
89.02427	9.8
99.00877	1.3
101.02456	5.4
107.01404	2.3
109.02939	2.2
112.16607	1.1
113.02433	4.3
119.03487	3.2
121.02956	2.3
124.01633	1.2
125.02433	2.4
138.03214	2.8
143.03484	1.3
149.02417	2.2
150.03296	1.3
151.00325	7.6
152.01172	1.3
153.05551	2.2
159.37109	1.1
163.00467	1.6
165.05513	2.4
178.99895	3.3
179.05453	1.5
185.76480	1.3
200.08522	1.2
201.11255	1.5
243.02937	4.7
255.02950	14.6
271.02466	30.8
272.02994	2.1
300.02716	73.7
301.03470	32.0
359.10986	1.8
391.27176	1.8
420.17618	3.6
421.17651	3.0
449.27194	2.0
463.08786	100.0
464.09125	5.8
493.19733	1.7
516.07208	1.3
552.22656	6.0
552.30518	2.0
553.21893	11.2
553.32117	18.8
555.46088	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03189	1.0
57.03433	5.6
58.00586	2.0
59.01377	44.7
61.53093	1.1
61.98827	10.0
69.31985	8.3
71.01377	36.3
72.99303	2.9
73.02934	3.8
75.00850	3.1
81.57969	1.0
83.01366	3.4
83.05032	1.3
85.02950	13.0
85.18028	1.0
87.00861	3.9
88.98802	5.9
89.02440	35.8
95.01392	3.0
97.02956	1.3
99.00842	2.0
101.02438	22.0
113.02447	20.1
113.03184	2.1
119.03476	11.7
120.27219	1.0
125.02422	2.8
125.85650	1.2
131.03462	2.0
140.05046	1.1
141.12866	1.4
143.03464	3.4
145.02864	1.2
147.26390	1.0
161.04549	5.5
165.12827	32.3
179.05591	10.5
183.13887	100.0
184.14201	3.1
187.13374	11.5
197.15523	2.1
207.13882	1.1
209.11819	4.0
225.14877	1.4
227.12865	83.2
228.13148	3.3
237.14786	5.2
251.12840	2.8
263.12854	3.5
269.13821	1.3
281.13895	4.4
291.10977	1.0
299.14954	3.1
331.17633	1.8
341.10895	18.4
349.18616	38.9
350.18762	1.5
371.17053	10.2
389.17981	2.7
491.32474	1.5
507.20706	4.5
507.27780	3.5
551.23364	98.0
552.23566	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	551.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
57.03448	2.5
59.01377	21.9
67.01867	1.0
68.99801	1.2
69.03437	1.2
69.99186	1.6
71.01379	21.0
72.99304	3.9
73.02934	1.6
75.00870	15.5
83.01398	0.8
83.05035	0.5
84.02170	0.4
85.02946	23.1
87.00874	7.5
89.02438	5.6
91.04004	1.0
95.01387	4.9
95.86409	0.3
96.71597	0.3
97.02904	0.4
98.19954	0.3
99.00877	8.9
101.02431	1.7
103.00353	2.4
111.00864	1.1
111.04598	0.4
111.08159	1.7
112.01672	0.7
113.02445	27.6
113.70232	0.4
115.00358	1.9
117.01954	2.3
129.01930	1.8
131.03468	0.8
147.11824	0.4
149.04550	0.7
157.01424	0.9
157.99586	0.3
161.04568	0.4
165.12837	13.3
175.02480	2.1
180.49348	0.4
181.12401	0.3
183.13885	40.6
184.14262	1.1
205.07066	1.0
207.05081	0.9
209.11865	1.6
223.08302	0.5
227.12854	3.4
231.05058	1.2
249.06123	14.7
267.07193	40.2
268.07489	0.9
301.16580	2.9
415.19785	1.4
459.18600	1.0
465.26971	0.4
477.19864	1.0
489.26660	0.5
507.20734	5.2
507.28073	8.7
533.22290	1.4
551.23407	100.0
552.23828	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	551.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74721	0.4
55.01871	0.6
57.03447	3.4
58.00584	0.8
59.01377	18.4
61.98816	1.0
67.01891	0.8
68.99815	0.6
69.03437	1.5
71.01377	22.1
71.30516	0.6
72.99306	4.2
73.02942	3.0
74.48946	0.4
75.00867	13.3
76.79238	0.5
78.17544	0.3
81.03456	0.6
83.01376	1.9
85.02945	20.5
87.00871	9.6
88.09122	0.4
88.51159	0.4
88.98790	1.2
89.02440	7.5
91.04001	1.0
95.00930	0.4
95.01398	4.8
97.02950	0.5
99.00876	8.0
101.02441	2.9
103.00387	2.0
111.00880	0.7
111.08134	2.1
111.85625	0.5
112.01632	0.6
113.02444	25.8
114.02728	0.4
115.00353	1.7
117.01940	2.3
119.03463	0.6
129.01936	1.8
131.03497	0.7
133.12224	0.4
139.00333	0.8
149.04568	0.6
157.01401	0.8
165.12834	18.9
175.02438	1.7
183.13889	54.2
184.14182	1.8
197.15462	2.9
199.52986	0.4
200.91997	0.4
205.07172	0.9
207.05089	0.6
207.13908	0.7
209.11816	3.6
225.14915	1.8
227.12869	18.8
228.13156	0.6
231.05095	1.3
249.06123	12.7
267.07193	35.2
268.07462	0.6
269.13885	2.2
285.62140	0.4
299.14868	1.4
301.16565	2.6
329.15970	5.2
363.42154	0.4
365.18076	0.8
389.13101	0.7
389.18152	13.0
390.18466	0.7
415.19626	0.9
477.19931	1.2
507.20740	1.3
507.27859	1.8
533.22363	1.5
551.23413	100.0
552.23804	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	551.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
57.03452	3.3
59.01379	52.8
60.99301	14.2
61.98825	5.1
68.72226	1.4
71.01379	30.8
71.53800	2.5
72.99301	3.6
73.02954	5.2
75.00868	4.7
83.01375	4.3
85.02942	10.6
87.00884	3.2
88.98807	100.0
89.02448	37.3
91.35386	1.7
93.03443	1.4
93.68034	1.8
97.42081	1.5
98.30540	1.6
99.00873	2.6
101.02441	13.6
108.02185	11.2
109.02937	6.0
112.24162	1.4
113.02453	12.3
119.03481	3.7
119.22381	1.6
123.04508	1.5
131.03500	5.0
135.00877	2.2
135.03055	2.1
149.04552	14.5
150.03177	2.3
151.03970	5.6
152.01143	23.4
153.01855	4.9
159.04507	1.9
160.05287	4.2
165.05495	1.7
172.05324	2.8
175.07507	2.5
176.47716	1.5
189.05550	4.5
190.06314	4.2
195.06592	1.5
201.11302	2.7
205.08714	6.6
222.13625	1.6
281.08194	2.1
285.20688	1.9
296.10449	3.4
299.05481	1.9
311.12811	3.9
314.04337	1.6
329.06778	3.1
341.13885	29.1
342.14734	1.8
399.09167	5.9
429.24997	1.7
433.91089	1.6
447.25922	6.6
465.27097	3.6
480.67413	1.7
491.19324	9.6
507.20895	5.3
507.27948	36.5
508.28452	2.5
551.14105	18.5
551.22937	3.9
551.30933	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	551.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07668	1.8
55.01846	1.7
57.03455	1.9
57.64736	1.8
59.01378	30.8
59.46584	1.6
61.33894	1.9
71.01382	17.4
71.53796	2.6
71.82220	1.8
73.02946	8.0
75.00848	2.3
81.98204	2.2
83.01328	2.0
85.02955	7.2
87.00885	2.1
89.02441	14.3
90.75662	1.6
101.02460	4.4
105.19701	2.0
108.02186	6.9
109.02930	12.3
113.02451	4.5
119.03535	2.7
121.02958	12.7
150.03204	4.6
152.01117	11.0
165.05550	5.6
172.05281	2.5
187.07578	3.3
199.78648	2.0
241.05022	3.2
255.06555	2.6
281.08261	2.6
287.09238	18.2
288.41089	1.9
295.09833	4.3
299.09216	2.1
311.09195	4.2
313.10904	6.6
326.11539	4.9
329.10242	2.3
341.13882	7.5
344.12610	21.1
355.22055	2.1
359.15036	49.2
429.10013	2.8
491.19196	100.0
492.19519	5.5
551.14539	11.5
551.22620	3.9
551.30829	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21548	0.6
55.01881	1.0
57.03445	6.0
58.00578	1.4
59.01379	45.1
66.48095	0.7
68.99788	1.0
69.03444	1.5
70.37269	0.8
70.37628	2.6
71.01379	30.1
72.99311	4.8
73.02939	4.0
75.00869	28.9
75.01306	1.0
83.01391	3.8
85.02946	29.3
85.03468	1.4
87.00871	8.8
88.98801	1.9
89.02438	15.6
91.31596	0.6
95.01373	2.8
97.02959	1.1
99.00883	10.0
101.02429	7.4
102.47348	0.8
103.00366	0.9
109.61575	0.8
111.00906	1.3
113.02448	27.1
115.00348	1.8
117.01910	1.6
117.92728	0.7
119.03513	4.2
125.02419	0.9
128.11377	0.7
129.01917	1.0
131.03481	1.4
143.03488	0.8
149.04512	1.1
157.01370	1.6
161.04523	1.5
165.12845	9.5
166.12906	0.7
173.04546	1.3
175.02475	3.8
175.56927	0.7
179.05617	1.5
183.13892	21.1
183.18016	0.6
189.30389	0.7
197.15457	2.3
203.12906	0.9
207.13890	1.2
209.11797	0.8
217.14336	3.5
224.95447	0.6
225.15031	0.8
227.12881	20.4
249.06215	1.4
251.12833	2.3
267.07114	2.3
269.13956	2.0
299.15033	1.7
329.16052	6.0
341.10934	3.9
365.18027	4.8
371.17053	0.7
389.18118	16.2
403.19800	1.6
465.19971	1.0
507.20801	100.0
508.21124	2.9
551.23334	22.3
551.30109	1.5
552.23401	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14980	0.9
57.03419	1.2
59.01113	1.4
59.01381	17.9
61.98814	1.6
64.69729	0.8
69.37911	2.6
69.38335	3.6
71.01379	11.4
72.99294	1.3
73.02940	1.1
75.00867	2.0
78.18383	0.9
83.01392	1.6
85.02943	3.3
87.00880	1.9
89.02438	9.2
95.01363	1.8
101.02422	4.7
108.02185	1.2
113.02441	4.6
119.03473	3.5
121.02918	2.0
122.03692	1.2
122.06125	1.3
123.00863	1.2
123.04520	1.7
125.02453	2.7
128.03519	1.1
134.03732	11.0
136.01660	1.3
137.02394	1.5
139.04019	1.6
144.04565	1.9
149.02434	1.8
149.06050	2.6
150.03242	9.5
151.00372	1.0
151.03954	2.9
152.01128	1.8
165.05577	9.0
167.03493	1.5
172.04106	1.0
175.04036	0.9
176.04770	1.2
178.02664	4.5
179.05670	0.9
181.05060	2.4
193.05040	13.1
195.06628	3.3
209.04565	1.1
210.07872	1.1
211.08759	1.8
216.85069	0.9
224.09494	3.0
224.53291	0.8
225.10214	2.1
227.32785	0.9
234.07974	1.0
235.06096	2.6
236.09525	1.3
237.08003	1.9
238.07413	2.6
239.08211	3.2
239.11870	1.9
249.10298	1.0
250.07471	1.0
250.44138	0.8
251.08224	5.8
251.11809	2.1
252.08952	4.4
252.10254	4.1
253.09796	8.4
262.07532	1.5
263.46896	0.8
265.06189	5.2
265.09778	2.4
266.07007	6.2
267.07327	1.2
267.08658	1.1
267.11395	12.3
268.12015	1.7
277.09717	2.6
279.07678	9.2
280.08496	36.0
281.08832	1.9
284.12863	3.9
295.10855	100.0
296.11124	3.7
316.09531	0.9
317.10172	1.6
319.08112	2.1
321.08716	1.6
327.13467	44.8
328.13666	1.9
329.06427	0.9
339.09830	47.9
340.10120	2.8
341.10355	1.2
347.07504	1.2
347.11209	1.0
359.11377	3.3
371.12451	85.2
372.12726	3.4
374.13821	4.0
389.11792	9.1
389.17087	6.3
404.92746	1.0
523.14404	1.6
551.18665	34.5
551.25989	2.3
552.19080	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	551.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03592	0.8
59.01236	13.3
59.01579	6.8
69.02126	0.7
71.01225	10.5
71.01672	3.3
71.53221	0.8
72.99152	1.1
73.02852	1.2
79.09901	0.9
83.01279	0.7
85.02779	3.0
85.03338	1.2
89.02280	9.1
89.02866	1.9
95.01237	1.2
95.62122	0.8
96.95889	0.8
101.02264	5.8
107.04929	1.2
108.01988	2.4
109.02788	0.9
110.32246	0.7
111.04482	0.7
113.02260	4.9
119.03292	4.0
122.05949	1.4
125.02255	2.1
125.03111	0.9
144.04413	1.0
151.00262	1.0
151.03819	1.2
152.00906	6.2
157.08475	0.8
159.84537	0.7
161.04417	1.5
165.05414	1.3
167.03400	0.9
174.05408	0.7
179.05434	1.8
193.04848	2.8
195.06487	1.2
210.07674	1.8
211.08492	0.7
212.09238	0.9
224.09213	1.6
225.10176	1.3
227.11676	0.8
235.06104	1.0
237.07788	1.3
238.07365	3.6
239.08032	2.4
239.11751	1.9
249.10231	1.0
251.08066	2.7
251.11697	1.4
252.08516	6.1
253.09822	6.1
265.06027	3.8
265.09674	1.4
266.06946	6.5
267.07504	1.0
267.08194	1.1
267.11319	11.2
268.11768	1.4
277.09732	1.5
279.07666	4.9
280.08493	28.3
281.08859	1.7
284.12939	4.5
295.10852	74.7
296.11053	2.4
298.09378	1.0
319.08044	1.4
327.13455	54.8
328.13812	1.7
329.06396	0.8
339.09839	17.6
353.11505	0.9
371.12433	100.0
372.12653	3.9
384.20880	1.0
389.12674	1.0
399.09280	2.2
551.19220	30.1
551.31488	1.3
552.19122	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71230	0.3
55.01878	0.8
56.67004	0.3
57.03446	4.1
59.01376	100.0
60.01714	0.4
61.98831	5.5
69.03459	1.5
69.18522	2.3
69.18925	0.5
71.01378	12.4
72.99326	1.0
73.02943	4.2
75.00849	0.7
78.82735	0.3
83.01382	4.4
85.02946	8.9
85.84747	0.3
86.00043	0.4
87.00890	1.2
88.98817	1.1
89.02448	1.6
95.01375	1.6
96.96000	0.3
97.02950	1.3
98.79736	0.3
99.00878	1.8
99.04520	2.3
101.02441	9.4
107.01397	1.0
108.02175	1.5
111.00877	1.4
112.01632	0.5
113.02452	6.5
115.04009	0.4
119.05020	0.4
124.01659	0.6
125.02427	3.3
126.41176	0.3
129.01964	0.5
135.00862	2.1
137.02440	0.5
143.03490	1.8
144.06926	0.4
151.00417	0.4
152.01158	3.8
159.02986	0.6
161.04559	1.8
163.03976	0.4
171.13922	0.5
185.15465	0.6
213.18513	0.7
228.04655	0.4
243.06577	5.4
255.10246	0.8
263.98529	0.3
271.09610	0.6
297.24338	0.7
299.25879	2.6
327.29193	0.4
345.26248	0.6
345.30054	6.6
387.10837	0.9
398.88864	0.4
405.11945	0.8
441.32382	0.5
459.33328	0.4
489.34296	52.9
490.34439	2.8
507.35324	22.7
508.35577	1.1
549.37244	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07804	0.5
55.01870	1.5
56.49088	0.5
57.03434	1.8
58.00576	2.0
59.01376	43.4
61.98806	0.8
63.07700	0.6
66.73858	0.6
71.01377	23.4
71.52990	0.6
72.99293	1.4
73.02927	1.6
75.00874	2.7
83.01379	1.7
83.89978	0.5
85.02947	6.2
86.03247	0.5
87.00870	1.3
87.04466	0.5
89.02440	21.5
94.22945	0.5
95.01370	1.9
96.96033	1.0
99.00870	1.8
99.04512	16.3
101.02444	11.4
104.44244	0.5
113.02432	7.5
117.01965	1.0
119.03489	7.1
121.06593	1.2
131.03523	1.0
135.02953	4.0
136.03262	0.9
143.03505	0.7
161.04535	0.6
163.14882	1.2
179.05589	2.3
189.12834	4.6
207.13876	24.0
233.11880	0.8
251.12860	63.2
252.13153	1.8
269.13855	0.8
301.03665	0.8
315.34082	0.6
327.12320	0.7
369.15509	11.7
387.14282	0.6
401.58264	0.6
431.19138	28.3
432.19495	2.2
505.09912	1.1
549.21826	100.0
549.28888	4.9
550.22144	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.4
57.03443	15.2
59.01380	45.1
61.98829	12.2
63.12484	1.0
68.39574	1.2
69.03461	3.2
71.01374	17.3
71.05041	1.1
71.53921	2.0
72.99290	1.3
73.02942	12.2
74.25755	1.0
75.00876	2.6
81.03454	22.4
83.01394	6.5
83.05029	3.5
84.02169	1.1
85.02952	8.0
87.00864	2.3
87.75834	1.0
88.98823	1.8
89.02431	7.0
93.03448	4.4
95.01365	3.1
95.05041	2.4
96.96024	1.2
97.02929	5.6
99.00864	2.3
99.04511	6.7
101.02444	17.7
107.01404	2.5
108.02183	5.9
109.02962	5.6
110.57205	1.2
113.02428	7.4
115.03953	2.0
115.16132	1.2
119.03489	2.6
119.04974	1.0
121.02952	14.0
123.04525	12.9
124.01656	1.8
125.02442	53.6
130.04268	1.7
131.03648	1.2
133.02954	4.8
134.03719	6.0
135.04485	5.7
137.02425	5.5
139.03981	3.4
143.03557	1.4
145.02872	1.1
146.03729	1.1
147.04526	3.9
148.05296	2.2
149.02437	6.3
149.04478	1.3
149.06052	5.3
151.00270	2.1
153.01924	3.4
161.02461	2.4
161.04523	5.0
161.27272	1.2
162.03264	1.4
163.04073	1.5
163.07660	10.5
163.11261	2.0
167.03487	3.6
174.03271	2.8
177.01871	1.4
179.07101	1.6
183.13852	3.4
185.11784	1.2
187.07524	1.6
189.05498	1.5
191.72801	1.1
197.06044	2.2
199.03929	2.4
201.11221	1.5
202.06372	2.3
203.10777	2.1
209.09912	1.7
209.11826	30.7
212.08351	2.9
213.05550	4.7
214.06262	6.8
215.07071	2.6
217.08583	2.6
219.06635	2.0
227.10780	2.7
227.12851	17.5
229.08670	8.0
230.09366	2.2
238.06396	2.3
242.05852	1.8
243.06662	6.6
243.81421	1.2
245.11855	5.7
253.08708	5.7
256.07458	6.4
259.09811	1.3
259.15402	1.5
271.06119	4.5
271.09698	13.7
279.05045	2.0
286.08417	3.2
289.10800	100.0
290.11047	2.7
297.06149	3.8
301.07114	16.0
301.10776	12.6
301.16501	1.2
325.07132	3.1
327.21793	1.8
327.25497	1.2
339.07278	1.8
343.08221	5.7
377.17929	2.7
389.17862	1.3
394.82819	1.2
405.11719	1.9
447.12900	1.7
463.25562	1.6
489.31058	1.2
505.13687	3.7
505.26215	12.4
506.26785	1.2
549.25323	4.0
549.33765	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	549.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.3
55.06073	0.7
56.72306	0.8
57.03441	1.9
58.00590	2.7
59.01381	55.9
61.98809	3.0
71.01381	27.5
71.31857	0.7
71.53590	0.9
72.99305	2.5
73.02935	3.6
75.00870	4.3
81.79882	0.7
83.01379	2.4
85.02953	8.9
86.29814	0.7
87.00870	2.2
88.98828	1.0
89.02442	26.6
95.01387	1.8
96.96014	1.3
97.06584	1.1
99.00886	1.2
99.04512	18.5
101.01797	1.1
101.02441	15.5
111.04510	0.9
113.02454	9.8
117.01948	0.9
119.03500	8.5
121.03011	0.9
121.05663	0.7
121.06596	1.6
125.02390	0.9
131.03484	1.5
135.02986	5.2
136.01666	2.7
137.02408	1.3
149.04501	1.5
151.03995	2.4
152.01114	0.9
161.04547	1.9
163.14896	1.7
166.02705	1.3
169.59541	0.8
179.05551	2.9
181.05031	1.8
189.12823	5.4
207.13892	24.8
208.14149	1.5
229.62271	0.8
237.11386	0.8
251.12869	64.0
252.13173	1.7
300.02713	1.3
301.03452	1.3
369.15622	11.3
387.14395	5.0
431.19141	26.8
432.19632	1.3
505.09692	1.2
505.19257	1.0
549.21802	100.0
549.29065	9.4
550.22015	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	549.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.5
58.00576	1.9
59.01376	61.9
60.99303	11.2
61.98809	2.1
71.01379	25.0
72.99299	5.1
73.02924	4.8
75.00867	25.4
83.01360	3.5
85.02948	11.0
87.00854	4.0
88.98800	59.6
89.02435	23.4
95.01390	2.7
96.95987	3.7
99.00873	2.6
99.03916	2.2
99.04517	32.3
101.02436	17.4
111.04545	1.7
113.02419	12.6
117.01963	1.7
119.03502	7.6
121.06638	1.5
125.02439	2.2
135.02992	65.2
144.80603	1.4
149.04442	1.5
161.04515	1.5
179.05621	1.7
189.12834	8.8
207.13893	41.8
208.14229	1.8
211.07547	6.4
251.12866	65.5
252.13382	1.7
281.17615	2.2
282.17899	1.4
296.13824	1.2
369.15591	14.5
369.22586	1.4
387.14578	1.9
431.19171	46.8
432.19489	2.8
465.84647	1.2
489.26572	1.9
505.19272	4.5
549.21765	100.0
549.28937	8.7
550.22009	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	549.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	42.4
59.01379	38.6
60.99283	0.7
61.98830	8.0
65.00304	1.0
65.03957	2.5
67.01883	1.2
71.01376	7.1
71.54224	0.6
72.99313	0.7
73.02953	3.3
75.00873	1.2
81.03451	2.3
83.01375	2.0
85.02955	3.5
87.00874	1.5
88.98798	3.3
89.02424	2.5
91.01894	28.0
93.03437	0.8
95.01353	0.7
96.96028	2.3
99.00889	1.3
99.04519	28.8
101.02440	13.5
108.02163	2.9
109.02949	28.0
109.03707	1.2
113.02457	3.7
119.03494	1.3
121.02955	1.6
125.02445	30.5
133.02950	0.8
135.00882	100.0
136.01218	1.8
137.02438	2.9
143.03496	0.7
149.02402	0.9
149.06140	1.0
150.03252	0.6
152.01176	3.9
153.01930	94.4
154.02295	1.6
161.02428	1.8
161.04533	1.1
165.04092	1.2
165.05516	1.2
167.03587	0.5
175.03979	1.1
177.01918	2.2
179.03464	0.5
189.01918	1.0
198.32860	0.7
201.11322	1.5
216.36708	0.5
225.18550	0.6
230.45369	0.5
243.06621	4.6
279.05090	10.4
280.05432	0.6
297.06134	19.5
301.07111	2.9
301.10818	2.2
305.08850	0.8
327.21994	0.6
337.55548	0.6
339.07178	31.2
340.07504	1.4
379.10336	5.3
405.11905	15.9
429.24945	1.6
447.13025	9.4
489.31168	0.6
505.13492	2.2
549.16327	3.5
549.25903	1.3
549.33441	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	549.146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07295	0.8
55.01876	0.8
57.03432	2.6
59.01381	13.6
63.61377	0.7
66.58376	0.7
67.01891	1.5
68.99811	2.5
69.03439	1.2
69.76017	4.1
71.01378	15.6
72.72570	0.7
72.99310	5.4
73.02961	2.3
75.00874	12.8
81.03457	1.2
83.01393	1.3
84.56290	0.8
85.02951	17.5
87.00861	6.0
89.02439	5.7
91.04004	1.3
93.03458	48.5
95.01379	4.7
96.96026	0.9
97.02953	0.9
99.00886	13.1
101.02419	1.1
103.00350	1.9
108.48341	0.7
109.02953	1.2
111.00845	1.6
113.02447	19.4
115.00365	1.8
115.04031	0.9
117.01949	2.0
124.01655	0.9
129.01958	2.2
134.35756	0.8
136.01691	1.2
137.02443	85.6
138.02800	1.3
151.61479	0.8
157.01402	1.2
175.02499	1.9
181.35260	0.8
189.04063	1.5
193.04994	1.7
207.05148	1.2
211.06091	8.5
216.55162	0.8
225.16537	0.7
231.05112	4.0
239.63763	0.7
247.48320	0.7
249.06149	37.3
250.06561	0.9
267.07190	22.8
274.50296	0.8
325.09238	2.0
340.54608	0.8
369.08234	6.8
387.09317	64.3
388.09555	2.9
429.10300	2.7
527.41156	0.9
549.14587	100.0
550.14752	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	549.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55296	0.7
59.01386	1.4
64.46918	0.9
69.19485	6.8
103.64336	0.8
107.01376	3.3
108.02196	1.8
109.02952	1.0
121.02946	1.5
135.00798	1.2
148.01657	1.7
151.00352	11.1
163.00325	1.9
178.99834	5.3
187.03969	0.8
199.04022	1.7
211.03983	1.5
226.02766	1.0
227.03464	3.8
243.02975	9.3
245.04509	1.0
254.02165	2.1
255.02957	25.6
256.03323	1.3
271.02451	54.2
272.02945	3.1
283.02530	1.0
300.02728	100.0
301.03476	39.2
302.03943	1.7
383.46317	0.8
426.67117	0.8
463.08646	4.4
505.09842	73.9
506.10190	4.1
549.21490	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	15.9
59.01375	26.9
61.98831	12.0
62.46282	0.5
63.88455	0.5
69.33771	3.4
69.34194	1.5
71.01383	9.4
72.99291	1.1
73.02940	6.0
73.39558	0.5
75.00880	1.8
81.03445	4.4
81.49383	0.5
83.01385	10.1
85.02952	3.5
87.00871	1.9
88.98799	1.1
89.02419	4.0
95.01391	1.1
96.96027	0.8
97.02972	0.6
98.19787	0.7
99.00891	1.1
99.04512	0.7
101.02435	8.3
108.02158	0.8
109.02930	1.4
113.02461	4.5
119.03467	1.1
121.02975	1.0
125.02441	100.0
126.02799	1.0
137.02449	4.6
137.88261	0.6
138.15912	0.5
148.01689	1.2
149.06035	0.7
151.00301	1.2
152.01166	1.1
153.01828	1.0
158.32080	0.6
161.02449	0.7
161.04521	1.5
163.04060	1.2
165.01926	1.2
165.04050	1.9
165.05473	0.8
179.03435	0.9
183.13933	1.1
200.04848	0.8
201.11351	0.7
215.07152	0.6
286.08218	1.0
301.07159	43.3
301.10678	1.5
302.07553	1.8
312.09964	0.9
327.12347	1.6
339.07193	1.1
417.21402	1.5
475.19116	0.6
489.31339	0.7
505.13483	35.9
506.13602	1.6
549.29175	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.6
58.00596	0.9
59.01377	24.3
61.98827	0.5
69.17721	3.5
69.18134	0.9
71.01375	12.1
72.99310	3.5
73.02970	0.7
75.00867	32.1
83.01404	1.1
85.02949	2.6
87.00890	1.6
89.02438	17.6
95.01371	0.7
96.96009	1.2
98.95617	0.5
99.04537	1.6
101.02451	6.0
108.02128	0.4
111.78201	0.5
113.02448	4.1
117.01956	3.1
119.03481	3.9
125.02442	0.7
135.02991	100.0
136.03333	0.9
141.48441	0.4
143.03465	0.6
161.04500	0.8
161.13358	9.7
179.05637	2.8
183.25362	0.4
187.11278	1.4
205.12311	14.1
206.12717	0.8
229.12531	0.4
249.11296	9.1
250.11691	0.5
268.03790	0.6
283.06082	0.6
288.47113	0.4
367.13980	4.4
385.18649	0.7
429.17676	7.1
547.20270	52.1
548.20428	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	548.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.6
59.01374	5.4
67.46683	0.3
70.71972	1.0
71.01379	9.2
71.01772	0.5
72.99302	1.6
73.02945	0.5
73.04088	0.4
75.00868	5.8
77.98083	0.4
82.02975	2.8
83.01373	0.7
84.02154	0.4
85.02952	6.1
85.04066	16.5
85.04587	0.8
86.02477	0.9
87.00877	1.6
87.05642	5.2
88.04037	3.9
89.02429	2.3
95.01385	0.9
97.04070	0.5
99.00882	2.1
101.02431	1.5
102.00181	3.3
103.00389	0.4
109.04071	0.8
111.01996	0.5
113.02448	5.7
113.03224	0.5
113.03581	0.7
115.00378	0.5
119.02800	1.9
119.03576	0.5
122.78279	0.4
127.05139	4.9
128.03532	42.0
129.03883	0.4
135.03015	1.0
135.05664	2.6
145.06175	1.7
152.08296	3.4
153.06723	2.1
157.06174	26.7
159.07742	1.9
164.07027	0.4
166.06183	2.1
174.02283	8.9
175.02501	0.7
178.06226	1.5
179.04597	4.5
184.04814	1.3
184.07292	1.2
185.05663	0.9
191.04964	2.7
196.07237	6.6
197.05659	1.0
209.06570	0.8
214.08432	0.8
224.10431	1.3
248.07123	1.0
249.38728	0.4
268.09369	3.3
271.25058	0.3
286.10428	7.5
291.13794	0.4
302.08081	2.8
302.97955	0.4
318.07758	0.7
320.09164	100.0
321.09491	3.0
357.09637	0.7
548.22852	6.0
549.25598	26.9
569.10321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17114	1.2
57.03444	1.4
59.01379	45.3
61.98810	4.1
71.01379	23.6
71.29733	1.9
72.99300	5.1
73.02949	7.9
75.00474	2.2
75.00871	32.9
83.01383	3.2
85.02943	7.4
87.00843	2.3
89.02441	28.9
95.01399	1.7
96.95975	2.9
99.00844	1.9
99.04491	5.3
99.31051	1.4
101.02448	13.1
111.04500	1.7
113.02447	10.3
117.01904	3.1
117.85877	1.5
119.03523	8.6
125.02455	1.8
127.32662	1.5
135.02997	100.0
149.04517	1.5
159.07227	1.4
159.76895	1.4
161.13356	8.1
179.05580	3.2
185.29880	1.5
187.11247	3.5
205.12329	26.6
208.76015	1.5
249.11269	29.0
267.12390	1.9
281.17514	5.6
284.03061	3.3
299.05704	2.5
353.76059	1.4
367.13885	16.1
429.17612	18.0
503.11255	1.6
503.25204	2.4
547.20154	83.7
548.20123	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	547.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62078	0.7
55.46743	0.6
56.39057	0.7
57.03438	3.4
58.41741	0.7
59.01379	6.1
61.98817	1.8
62.88919	0.7
69.03439	1.0
70.63183	0.7
71.01379	4.4
71.53406	0.8
72.99297	1.8
73.02933	2.7
75.00869	11.3
77.35955	0.7
84.02156	6.5
85.02951	13.9
87.00878	1.1
87.04533	0.7
89.02442	1.6
95.01368	0.8
96.95393	0.8
96.96004	12.0
98.20515	0.8
98.90062	0.7
99.04520	3.6
101.02436	9.0
101.06063	0.9
103.03998	6.5
108.02172	32.4
109.02962	11.0
113.02444	2.4
121.02988	0.8
123.00879	1.0
125.02382	0.9
129.78131	0.7
133.02940	0.9
134.03735	12.0
137.02457	2.6
147.06631	34.0
149.06039	3.2
151.03943	0.9
152.01146	83.5
153.01793	2.6
160.01619	3.1
163.03967	2.0
165.05554	1.2
175.03979	6.9
177.49461	0.7
178.02710	7.0
179.03387	1.1
191.03987	1.3
191.05623	15.3
193.05037	14.1
209.06650	5.1
241.07251	0.8
267.05066	1.3
280.07327	0.9
295.09756	2.2
313.10846	2.1
325.10727	2.2
367.10312	7.6
385.11444	5.6
399.09280	46.4
400.09607	1.5
417.10367	10.1
503.14044	6.3
547.16620	100.0
548.16882	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	547.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85788	0.6
52.37368	0.5
53.06414	0.5
57.03440	2.0
59.01377	14.1
61.98815	2.0
67.56831	0.6
71.01380	21.0
71.53696	1.1
72.99293	2.6
73.02945	1.6
75.00865	2.5
79.95755	0.5
80.96496	1.4
83.01379	5.9
85.02950	4.1
87.00875	30.1
89.02452	2.7
96.96011	8.2
99.00864	1.4
99.04528	1.0
101.02439	3.4
111.00865	6.5
112.98788	0.9
113.02457	4.2
115.00372	56.6
119.03554	0.7
125.02428	1.7
127.00377	1.7
129.01915	1.1
135.02989	4.6
139.00372	14.3
157.01424	26.0
157.08675	1.3
158.03735	0.7
161.04608	0.6
163.04012	0.7
165.09154	0.5
174.01724	0.7
175.02470	100.0
176.02826	1.0
179.05585	0.8
188.44469	0.5
242.88518	0.6
249.06085	0.7
252.10379	0.6
253.09615	1.0
267.11197	0.6
279.07394	0.6
280.08408	1.7
281.08493	0.8
283.10504	0.8
293.09335	0.7
295.10846	9.3
297.12369	0.9
309.12299	1.3
310.08441	0.9
313.10840	2.0
315.36218	0.6
323.10260	1.0
325.11337	3.5
327.13504	3.4
335.10059	0.6
339.09952	3.5
343.11774	0.7
353.11026	1.2
355.13062	0.9
369.10992	1.1
369.73550	0.6
371.12503	10.7
391.13028	2.0
397.10526	1.7
399.12112	1.3
401.13589	2.3
413.12607	0.7
429.12985	4.9
430.13480	0.7
431.14725	1.4
435.12094	1.1
443.14536	0.8
453.12546	0.7
457.15997	0.6
467.14609	6.6
485.15622	10.7
487.13602	3.9
499.13324	0.9
503.17731	0.7
511.13647	1.1
529.14868	1.0
547.16174	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49708	0.9
56.43429	0.9
57.03424	1.3
59.01118	1.6
59.01378	18.9
61.98826	7.3
62.20304	1.0
71.01375	13.8
71.53324	1.4
72.99280	3.6
73.02921	2.7
75.00867	32.3
83.01385	2.9
84.02164	28.7
85.02934	7.8
87.00839	3.0
89.02428	6.2
93.03469	1.0
96.96021	4.7
97.02896	1.1
99.00844	1.7
99.04513	11.9
100.04874	1.0
101.02441	5.0
108.02166	6.1
109.02916	1.1
111.00892	5.6
113.02449	6.6
117.03495	1.3
119.03430	1.9
121.02915	1.7
123.04485	2.2
125.02399	1.7
130.08708	1.7
131.07140	1.9
133.02895	1.4
134.03731	60.9
135.04016	1.3
137.02438	5.2
139.03984	1.3
147.06577	3.8
149.06064	19.1
150.03195	1.0
151.99983	1.5
152.01134	12.9
160.01636	2.8
172.09735	1.7
172.34653	1.1
175.04016	8.1
176.04694	1.7
177.01909	1.2
178.02704	27.1
181.08656	3.5
191.05591	53.6
191.07057	2.0
193.05034	100.0
194.05341	2.2
209.06689	7.9
218.05763	1.7
233.08136	2.2
235.05884	1.7
272.36508	1.1
324.30173	1.1
325.09253	2.4
325.12827	2.1
343.13889	1.5
353.10809	1.8
355.10437	8.5
367.10379	6.3
371.11832	3.4
385.01843	1.0
385.11240	11.4
385.35797	1.0
397.11276	5.9
399.09225	5.0
417.10181	2.0
547.16541	91.2
548.17035	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	547.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.1
58.65723	0.1
59.01378	2.1
61.98828	0.6
62.26686	0.1
63.02365	0.3
65.00006	0.1
65.00355	0.2
69.91549	0.2
69.91960	0.1
71.01381	0.6
73.02910	0.3
75.00837	0.1
83.01402	0.3
85.02941	0.3
89.02454	0.4
96.95988	0.2
98.19950	0.1
101.02448	0.3
107.01399	0.4
113.02457	0.3
116.42760	0.1
116.87005	0.1
117.03461	0.2
125.02400	0.1
131.03542	0.1
148.01584	0.2
149.04538	0.1
149.99557	0.2
151.00371	0.5
161.04507	0.1
169.01414	0.1
171.04462	0.2
172.05241	0.2
195.04459	0.1
196.05296	0.2
200.04709	0.2
211.03984	0.4
212.04709	0.3
224.04639	0.1
232.03807	0.1
239.03423	0.9
239.07152	0.1
240.04259	1.5
267.02945	0.5
267.05627	0.1
268.03735	63.2
269.04074	2.0
281.04501	0.2
283.06085	100.0
284.06421	3.6
284.09601	0.1
325.07227	0.6
415.10196	0.5
457.11203	0.1
487.33115	0.1
536.36359	0.1
547.15503	0.1
547.24329	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83508	0.7
57.92732	0.7
59.01379	15.3
61.98823	6.8
64.14287	0.7
65.00323	5.0
71.01386	3.6
71.53178	1.0
71.53556	0.8
73.02939	1.0
85.02947	2.2
87.35457	0.7
88.98806	1.0
89.00314	1.5
89.02461	1.2
89.03956	1.3
91.01897	1.0
93.03434	1.7
96.96005	4.4
97.02940	5.5
101.02436	2.2
113.02400	1.7
121.02993	2.2
123.04504	1.0
125.02460	1.9
133.02960	9.2
149.99550	1.4
163.00417	0.9
165.01929	36.8
166.02335	1.0
180.04291	0.7
183.13779	0.8
196.05354	0.9
198.03210	0.9
211.04178	0.8
212.04816	2.8
214.02690	3.0
216.04295	1.0
227.03455	0.8
228.03954	1.0
229.04980	7.3
231.06651	1.0
235.95551	0.7
239.03502	1.5
240.04315	6.0
242.02260	1.8
243.06589	1.1
255.02904	4.1
255.06628	1.8
256.03696	2.1
257.04541	1.4
262.46225	0.9
268.03854	1.0
271.06042	9.4
283.02466	2.6
283.05951	1.7
284.03177	5.0
298.04749	1.0
299.05582	100.0
300.05893	4.7
325.20465	0.8
487.32889	1.1
503.11960	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	547.1092
Annotation	Luteolin 4'-methyl ether 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.72876	0.3
52.05313	0.4
57.03430	0.5
59.01374	4.2
60.99299	0.5
61.98829	1.9
69.37997	2.9
72.99256	0.5
73.02925	1.4
75.00844	0.7
80.80552	0.4
83.01361	0.5
85.02928	1.2
88.98809	5.4
89.02425	0.8
94.74078	0.4
95.26877	0.4
95.79605	0.4
98.14561	0.4
98.45449	0.4
101.02419	1.2
107.01342	0.5
112.63102	0.4
113.02420	1.0
125.02418	0.5
131.03453	0.8
133.02937	0.4
134.03699	0.7
144.04565	0.6
145.02972	0.5
151.00319	0.7
208.11234	0.6
227.03442	0.9
255.02972	4.7
256.03726	2.3
269.04474	0.5
281.17538	1.7
283.02457	2.2
283.05890	0.8
284.03235	82.5
285.03589	3.7
297.03909	2.2
299.05579	100.0
300.05927	4.2
329.14731	0.6
341.06470	1.9
409.62457	0.4
488.09497	0.6
503.25159	0.6
547.23627	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99988	0.4
57.03446	4.1
59.01363	1.2
71.01376	12.5
71.50894	0.4
71.51331	0.4
72.00885	0.9
72.04548	0.4
84.04530	0.7
85.02938	3.3
88.04034	45.0
89.02442	0.7
89.04354	0.6
90.97402	0.3
92.99246	0.4
97.48133	0.4
102.05602	4.2
115.04051	0.5
119.03478	0.9
132.06659	40.8
133.07098	0.6
169.99965	0.3
191.05598	1.0
202.62593	0.4
203.10320	0.7
204.08749	100.0
205.03503	0.4
205.09093	1.8
260.27167	0.3
323.24335	0.3
341.10922	0.8
425.09686	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33073	0.9
57.03434	2.2
59.01376	49.6
61.98831	9.3
67.01883	0.9
69.03445	0.8
71.01376	13.3
73.02946	4.1
83.01379	3.0
83.05041	1.3
85.02950	6.7
87.00871	1.6
89.02437	9.1
93.07112	0.8
95.01370	1.3
95.05045	1.1
96.96020	1.6
97.02893	1.1
97.06579	1.7
99.00858	2.1
101.02438	11.8
111.08139	2.8
113.02435	6.5
119.03478	2.4
119.05947	0.8
121.10231	4.7
123.08105	1.2
125.02425	2.3
125.09726	5.1
137.09714	2.3
137.77396	0.9
143.03455	1.3
159.02972	1.1
160.57558	0.8
161.04549	6.0
167.14447	0.8
171.10258	27.0
179.05612	1.2
185.11812	5.4
195.13898	2.4
197.11868	2.3
206.82368	0.8
211.13374	70.3
212.13684	1.9
221.15439	1.3
223.17001	3.0
233.15479	1.8
235.08170	1.7
240.72061	0.8
251.16446	10.6
253.09270	32.8
254.09496	1.2
273.18689	2.4
291.19638	100.0
292.19910	4.4
305.24512	0.8
309.20648	20.9
341.27045	1.8
407.19061	0.9
440.64609	0.9
447.22198	2.1
467.30182	1.3
485.31296	9.6
503.32434	6.8
527.28473	6.4
545.28235	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	545.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.7
59.01105	0.9
59.01377	11.0
59.69619	0.6
61.98799	1.2
69.16457	1.2
69.16856	5.6
71.01381	6.5
73.02943	1.2
83.01416	0.8
83.05031	0.8
85.02937	1.8
87.00890	0.9
89.02444	5.9
95.05006	0.8
96.95994	0.9
101.02428	6.8
109.06556	0.6
110.59910	0.5
111.08156	9.7
113.02437	2.6
119.03512	1.5
135.11810	0.7
137.09636	0.9
161.04539	2.6
167.10730	2.5
177.12801	2.0
179.05598	1.1
179.10779	1.8
195.13876	6.7
247.20599	2.6
253.09279	16.7
273.18622	1.2
275.20187	1.9
291.19650	100.0
292.20023	4.1
309.20782	2.6
321.00177	0.5
361.03677	0.6
376.87228	0.7
545.29022	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.2
58.00576	0.9
59.01375	29.8
61.98822	4.6
65.42548	0.5
69.03453	1.3
70.70930	1.5
71.01380	12.1
71.05015	0.9
73.02940	3.1
78.95898	1.1
83.01388	1.6
83.05038	0.7
85.02942	4.1
87.00871	1.2
89.02432	9.2
95.01400	0.9
96.96004	11.2
96.96660	0.7
96.96928	1.1
97.02962	1.4
97.06574	0.9
99.00848	0.7
101.02435	12.8
109.06543	0.6
111.08147	10.8
113.02446	6.2
119.03478	2.4
125.02436	0.9
125.09737	0.8
127.07615	0.8
137.09720	0.9
137.23354	0.6
143.03484	0.9
149.09732	0.6
149.98293	0.6
161.04547	4.5
167.10719	1.0
167.14403	0.6
169.12335	3.3
171.10208	3.2
179.05624	3.0
179.10738	0.6
180.98816	0.6
181.12323	1.6
183.13892	1.2
185.11870	1.6
192.31224	0.6
193.12230	0.6
195.13893	2.2
197.11812	44.2
198.12128	1.2
199.11554	0.5
199.13312	3.8
211.13376	16.6
221.15355	1.4
223.17049	2.7
227.12888	1.4
229.10759	2.0
233.15424	2.6
247.20657	1.4
251.16508	12.2
253.09270	44.6
254.09615	0.8
263.20215	3.4
265.18091	1.5
273.18604	1.6
275.06473	0.5
291.19644	33.7
292.19998	1.6
309.20682	100.0
310.20862	2.8
341.26950	0.6
485.30862	3.1
503.32230	2.4
527.28333	1.2
545.29504	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93428	0.3
55.01879	0.9
57.03448	1.0
58.00595	1.4
59.01377	18.0
61.98842	1.5
69.03458	1.0
69.17694	3.0
71.01376	12.2
72.49817	0.3
72.99304	0.5
73.02945	2.1
83.01399	1.2
83.05019	0.6
85.02952	2.9
85.60299	0.3
87.00889	1.3
89.02443	10.4
91.04022	0.3
95.01385	0.9
96.96025	0.8
97.02929	0.6
99.00898	0.5
101.02436	12.1
109.06586	0.8
111.08157	20.0
113.02447	5.1
119.03488	2.8
121.06590	0.3
127.07637	0.9
131.03532	0.6
137.09747	0.5
141.09190	0.9
143.03490	0.9
151.11267	1.0
153.09221	0.6
153.12859	1.7
161.04552	5.7
165.12889	0.4
169.12323	7.9
171.10202	0.4
179.05606	1.4
179.10770	0.9
181.12294	0.7
183.13841	0.8
193.12283	0.4
197.11819	94.5
198.12090	1.8
199.13371	5.3
209.11771	0.7
211.13383	9.3
219.52542	0.3
225.15018	0.3
227.12900	2.4
230.11409	0.4
235.08192	0.7
247.20689	0.6
253.09276	48.3
254.09671	1.0
263.20142	4.6
265.18045	3.0
273.18549	1.4
291.19647	27.0
292.19849	0.7
309.20694	100.0
310.21069	3.4
485.31033	0.8
503.31543	0.4
523.03772	0.3
527.28448	0.6
545.12714	0.3
545.29871	1.9
548.21692	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
57.03441	0.8
58.00599	1.1
59.01379	15.5
61.98826	1.3
69.03468	0.8
69.34330	2.8
71.01378	9.0
73.02941	2.2
75.00862	0.5
83.01403	1.2
83.05012	1.0
84.02147	0.3
85.02941	1.7
87.00883	1.3
89.02444	8.7
93.63480	0.3
95.01400	0.7
96.96008	0.5
97.02949	0.7
97.06569	0.5
99.00932	0.4
101.02442	9.6
101.03123	0.6
106.44968	0.3
109.02986	0.6
109.06597	0.9
111.08157	14.0
112.08508	0.4
113.02448	4.5
119.03507	2.5
123.08221	0.4
125.02439	0.6
126.08783	0.3
127.07646	1.2
129.01884	0.4
131.03455	0.5
135.04526	0.3
137.09717	0.4
143.03493	0.9
143.98871	0.3
146.43793	0.3
149.04636	0.4
151.11319	0.8
153.09164	0.6
153.12856	1.2
161.04549	5.1
163.11241	0.4
165.12823	0.7
167.10756	0.4
169.12338	5.4
179.05562	1.4
179.10770	0.6
181.12361	1.9
183.13921	1.4
193.12283	0.6
197.11818	70.7
198.12183	1.5
199.13361	4.5
205.88934	0.4
209.11894	0.5
211.13382	9.0
221.62341	0.4
227.12836	2.0
247.20705	0.4
253.09267	48.1
254.09587	0.8
263.20132	5.6
265.18124	1.8
271.09692	0.9
272.10086	0.8
273.10388	0.9
273.18594	1.2
291.19638	25.5
292.20074	0.8
309.20685	100.0
310.21027	3.3
485.31146	1.5
503.32129	0.6
545.30035	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
59.01376	13.0
61.98815	4.3
69.16373	10.8
70.11514	0.9
71.01387	6.6
73.02937	2.1
83.01376	1.3
85.02917	1.4
89.02455	5.7
99.00913	1.1
101.02435	5.8
107.53157	1.1
111.08157	11.1
112.08528	1.1
113.02399	3.0
117.03457	2.0
119.05005	2.1
137.09760	1.4
143.03503	1.1
145.02934	9.9
161.04526	2.8
163.03922	2.6
167.10757	2.6
177.12785	1.5
179.05727	1.0
179.10747	1.2
195.13873	6.7
197.11752	1.6
230.73671	1.1
247.20602	2.1
253.09261	15.0
273.18591	1.9
275.20099	2.9
291.19644	100.0
292.19849	3.3
301.77493	0.9
309.20627	2.7
313.35321	1.0
330.64191	1.1
507.29449	8.4
509.30179	1.7
545.29810	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	545.06
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25182	0.1
57.03440	0.4
59.01373	1.4
61.98816	0.5
71.01377	0.9
71.53849	0.1
72.99299	0.1
73.02940	0.2
75.00861	0.6
79.95737	2.4
80.96480	0.1
83.01372	0.1
85.02950	0.9
87.00864	0.2
89.02440	0.5
96.96010	100.0
99.00886	0.3
99.04521	0.2
101.02439	0.5
111.36724	0.1
112.04147	0.1
113.02436	0.8
125.02362	0.1
125.43095	0.1
131.03462	0.2
135.00827	0.1
137.02571	0.1
141.33199	0.1
149.04552	0.5
150.03224	0.1
151.04056	0.2
152.01161	0.1
165.05617	0.2
251.17094	0.1
284.03262	0.5
285.03998	1.1
309.13531	0.2
447.09055	1.0
475.95981	0.1
545.22583	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	542.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	55.1
61.98817	3.5
67.97880	1.3
70.79809	3.7
71.01382	12.0
72.99290	1.2
78.95918	2.0
85.02963	2.8
88.04021	6.7
89.02440	18.3
96.96018	1.7
98.79913	1.2
101.02441	10.7
111.31847	1.3
113.02428	6.0
119.03498	9.0
125.22598	1.1
131.75771	1.1
133.37006	1.1
143.07082	2.5
146.08192	2.2
161.04485	1.6
179.05611	2.2
179.84981	1.2
216.64813	1.3
218.10294	6.6
262.61566	1.4
323.13446	100.0
324.13803	2.8
412.49454	1.3
513.20270	1.4
514.03711	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21866	0.3
53.43939	0.3
55.01865	0.7
55.89102	0.3
57.03437	2.0
57.91272	0.3
58.00577	0.4
59.01373	12.4
61.98830	1.7
67.01842	0.4
68.00861	0.3
69.03458	0.8
71.01373	10.1
72.99295	0.8
73.02948	2.1
80.02661	0.6
81.03433	1.9
83.01371	2.5
83.05012	1.5
85.02941	2.7
87.00857	1.7
89.02433	8.5
91.03999	0.5
95.01376	1.0
95.05005	1.7
97.02955	2.6
97.06577	5.3
99.00867	0.7
99.04478	0.4
101.02437	11.2
106.04259	0.4
107.05006	0.5
108.02130	0.5
109.06594	1.6
111.04467	0.5
111.08114	0.5
113.02454	5.1
115.07610	0.6
119.03484	2.4
119.05004	0.4
119.08649	0.9
121.06585	1.7
123.04536	3.4
123.08127	1.4
125.02464	0.5
125.06063	0.8
125.09702	6.1
127.07635	0.4
133.05019	0.4
135.08104	1.1
137.09660	2.9
139.07654	0.4
141.09271	0.4
141.12781	0.7
142.02663	0.7
143.03479	0.9
149.06044	0.9
149.09637	0.4
150.10411	0.4
151.11282	0.7
161.04535	4.8
161.09695	0.7
162.10536	0.5
163.07643	0.6
163.11276	7.8
165.09198	0.4
165.12840	1.8
167.10742	0.7
171.10242	0.7
173.09715	0.4
175.11284	0.8
177.12857	0.7
179.05556	1.9
179.10760	0.6
181.12308	1.3
185.10219	0.6
185.11809	6.9
189.12854	0.5
191.10771	1.1
191.14395	8.6
193.12309	0.8
202.13596	0.5
207.10240	4.2
209.11809	24.0
210.12289	0.6
211.13326	2.6
217.15910	1.0
219.13805	0.4
225.11305	3.5
226.11989	0.3
227.12819	1.4
227.18114	0.4
235.08141	1.3
237.11273	10.6
243.17487	0.6
245.19075	17.2
246.19385	0.8
247.17084	0.6
253.09259	39.5
254.09528	0.9
255.86069	0.4
263.20093	4.8
265.18045	0.5
271.16992	2.8
281.21198	1.2
289.18060	91.2
290.18427	3.7
307.19110	100.0
308.19467	4.0
445.20865	0.6
493.28604	0.4
525.27020	1.4
543.27814	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	541.3148
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
57.03445	6.9
59.01377	100.0
61.98824	59.1
64.98798	4.4
71.00809	9.4
71.01367	23.9
73.02933	12.2
84.87419	5.0
85.02952	8.2
89.02429	14.2
96.96005	15.4
99.04495	5.3
101.02429	16.9
111.08120	4.2
113.02451	9.3
117.07100	9.4
125.09674	4.9
135.08232	3.9
139.00327	8.4
152.70201	3.9
153.78308	4.0
154.02763	7.9
161.04408	4.5
165.12741	10.7
171.10258	6.7
179.05450	4.5
183.13847	5.7
217.06509	9.5
225.31075	4.5
253.09334	10.2
255.99681	5.1
287.16513	14.5
305.17538	36.6
327.81183	5.5
363.09955	4.4
368.29782	4.4
481.29022	4.8
505.33911	32.9
523.25287	12.8
541.31952	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73175	0.2
58.71978	0.2
59.01374	2.3
61.98829	100.0
70.78416	0.2
71.01380	0.9
71.54237	0.3
71.56865	0.2
73.02957	0.4
85.02962	0.5
87.04503	0.2
89.02444	0.4
94.42838	0.2
96.96015	2.7
101.02455	0.3
103.03999	0.9
113.02457	0.2
114.01971	0.4
114.12449	0.2
119.03484	0.2
129.36739	0.2
130.08766	0.2
136.11115	0.2
137.29970	0.2
145.28903	0.2
190.68428	0.2
211.13405	0.5
212.13814	0.8
213.14047	0.5
241.00182	1.5
242.00574	0.4
304.11194	0.2
318.16232	0.6
332.17947	0.3
334.15610	0.3
336.17227	0.6
348.17416	0.6
360.17288	0.5
362.15170	0.2
376.16953	0.3
378.18488	0.3
380.16412	0.2
404.16342	1.0
422.17386	0.8
448.15125	3.2
449.15530	0.3
457.34222	0.2
461.43500	0.2
470.15067	0.2
480.17883	0.3
542.07214	0.5
542.18121	2.9
542.26208	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.5
59.69363	0.8
61.98801	0.8
62.57641	0.7
70.54040	1.5
70.54348	0.9
71.01393	0.8
85.60439	0.7
89.02460	0.7
90.64580	0.9
117.03461	12.8
119.05024	24.2
121.02905	3.8
123.04521	0.8
126.54532	0.8
145.02950	90.7
146.03294	2.1
146.82545	0.7
149.75307	0.8
157.74463	0.7
163.04004	21.0
164.04451	0.9
240.86255	0.8
267.19662	1.4
285.20694	7.9
369.69525	0.8
391.11951	1.0
413.23267	16.7
431.24338	6.8
505.28061	100.0
506.28354	6.1
541.18427	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	541.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.5
59.01109	2.3
59.01380	30.5
60.96050	1.4
61.98832	16.6
66.63492	1.4
69.03458	2.4
71.01382	12.7
71.53136	2.0
73.02945	6.2
75.00872	1.5
82.43829	1.6
83.01380	1.8
85.02951	7.2
87.00868	1.6
89.02446	4.3
95.98608	1.5
96.96011	2.9
97.02934	2.3
99.04466	1.4
101.02448	7.5
110.00092	5.7
111.00867	9.6
111.08157	4.8
112.92813	1.4
113.02457	7.4
117.07101	2.8
123.04430	2.1
124.01614	2.1
125.02467	9.4
137.02460	2.5
137.99600	8.8
139.00369	73.1
140.01163	12.4
144.25188	1.5
149.02415	1.7
152.01105	4.1
153.01933	100.0
154.02716	84.8
154.04015	3.0
155.03502	21.6
161.04573	5.6
165.12845	35.2
167.03506	9.7
168.02916	2.9
168.04282	38.1
169.01373	4.9
169.05057	69.1
181.12332	1.8
183.13893	28.6
189.13063	1.6
191.03506	2.0
197.15376	2.5
203.14418	1.4
204.83530	1.5
207.13882	5.1
209.11841	4.7
221.15436	3.9
227.12885	25.9
231.13835	4.6
233.11862	5.2
237.14954	1.7
247.13574	2.0
249.14899	4.8
251.12866	14.2
265.14349	4.5
269.13916	5.7
275.12915	8.9
287.16556	3.8
293.13937	35.3
294.14011	2.5
305.17511	3.7
311.15057	4.5
331.10339	40.2
371.17102	11.6
523.25305	3.4
541.22900	70.4
542.23431	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	540.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64018	0.4
54.50126	0.4
55.37096	0.4
57.90460	0.4
58.00586	0.6
59.01369	0.9
69.88828	1.5
69.89241	0.9
71.01382	1.5
72.00911	11.4
73.02955	0.6
78.29620	0.4
78.95901	11.0
80.72026	0.4
84.01353	0.4
85.02949	1.3
87.00878	1.9
88.04053	0.9
89.02435	0.9
95.01446	0.5
96.96951	1.4
101.02451	1.0
103.05543	1.1
113.02457	0.6
121.02944	0.9
134.04704	1.9
141.41791	0.4
145.02930	0.8
147.04518	40.3
148.04843	1.1
149.02440	10.0
150.02013	0.9
150.03218	15.8
158.44505	0.5
158.92485	2.8
161.02397	1.0
161.04585	2.5
162.03217	1.2
164.04840	5.6
164.07156	100.0
165.05565	41.7
165.07663	1.3
166.05856	1.0
177.05569	1.2
180.04297	2.3
195.06628	20.3
196.06953	0.4
218.10323	0.6
272.95782	1.3
302.85208	0.4
327.10831	16.1
328.04535	1.0
328.11420	0.7
334.11929	0.9
335.11722	0.6
346.05704	1.0
357.11887	1.3
406.97864	0.5
408.00861	0.7
426.02249	0.9
540.05493	3.6
540.14703	0.8
541.15704	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01534	0.6
58.50584	0.6
59.01357	0.7
61.98827	100.0
71.53718	1.2
78.95914	0.9
79.27995	0.6
112.30271	0.6
119.05000	0.6
121.02930	0.6
132.17368	0.7
145.02936	3.9
163.03972	0.8
168.13698	0.6
338.18930	0.8
378.50150	0.6
413.23596	0.8
424.85138	0.7
474.08466	0.7
505.28143	4.3
541.18646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.0656
Annotation	Isoscutellarein 4'-methyl ether 8-(2''-sulfatoglucoside)
Peak:m/z	Relative Intensity
55.01880	0.4
56.89772	0.2
57.03438	1.5
57.51937	0.2
59.01380	6.5
60.01718	0.2
60.99294	0.3
61.98829	10.8
65.81957	0.2
67.35711	0.2
67.38130	0.2
69.39767	0.8
69.40181	0.8
71.01372	2.9
72.86526	0.2
72.99307	0.8
73.02940	1.3
75.00867	0.6
78.95899	0.4
79.95731	3.2
80.96516	2.7
83.01377	0.9
85.02931	1.6
87.00862	1.4
88.98838	0.4
89.02432	1.0
95.01414	0.4
96.96008	100.0
97.02974	0.2
97.06577	0.3
99.00868	0.5
99.04524	0.7
101.02441	3.0
103.04008	6.8
108.02190	0.3
113.02442	1.9
119.03511	0.2
121.03015	0.3
123.04454	0.2
125.02437	0.4
129.01936	0.3
131.03505	0.2
138.97054	0.4
150.97119	0.5
152.01151	0.6
161.04509	0.3
166.96545	0.9
171.10268	0.3
180.98073	0.3
211.13423	0.2
212.13631	0.5
222.99211	0.5
227.03505	0.4
231.19812	0.2
241.00229	82.3
242.00488	0.9
255.02942	1.5
284.03226	1.9
299.05560	0.9
312.19827	0.2
328.05710	0.3
448.15112	0.4
455.76450	0.2
461.10861	1.0
522.21991	0.4
541.06561	26.1
541.26593	0.7
542.06976	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20824	1.2
57.03433	2.4
59.01380	10.6
61.98829	100.0
63.72112	1.0
65.99493	1.1
66.98281	1.0
70.78847	1.8
70.79178	1.5
71.01380	6.7
73.02940	1.5
80.87726	0.9
82.49087	1.0
83.01374	2.1
85.02950	2.2
87.56050	1.0
88.98826	1.4
89.02435	3.4
96.96030	1.4
99.00934	1.2
101.02435	5.9
107.03791	2.3
113.02460	2.5
122.06129	12.5
123.03253	1.6
124.04039	1.4
125.02412	2.2
132.04510	2.3
138.05615	4.7
151.00325	3.0
152.07181	28.3
152.08420	1.4
156.32423	1.0
158.02686	1.0
160.04034	6.0
161.04596	1.2
168.25212	1.3
190.05104	3.4
192.06660	18.8
201.01941	1.0
205.47263	1.1
215.03345	1.2
227.03427	2.1
242.02206	2.6
243.02968	21.5
255.11377	1.4
257.04456	6.0
270.01682	5.8
271.02466	25.1
272.02942	2.0
285.04059	11.6
286.04706	3.5
287.02032	2.9
298.09525	2.5
299.01932	9.0
300.02652	3.5
303.21783	2.6
314.04333	40.0
315.01398	3.8
315.04993	7.9
316.02335	1.7
317.98282	1.3
325.11884	5.2
325.82330	1.2
330.03748	5.9
331.04541	5.0
343.12463	1.2
355.12796	3.5
357.14545	17.8
377.28931	1.5
464.18567	5.4
477.10358	98.3
478.10791	4.0
490.16263	1.2
504.38263	1.2
508.17252	12.0
522.18896	1.3
539.34448	13.0
540.19977	5.2
540.34747	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	540.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.8
59.01380	5.5
61.98825	22.3
71.01376	3.5
71.53404	0.7
73.02963	0.7
82.38857	0.4
83.01377	0.7
85.02947	1.8
89.02421	1.6
99.00874	0.5
101.02429	3.0
113.02386	1.2
119.03511	0.9
125.02460	1.2
130.93265	0.5
147.03186	0.5
158.37215	0.5
227.03427	0.6
271.02457	24.2
272.02957	1.4
281.34787	0.5
285.04004	0.8
290.48822	0.5
299.01932	30.6
300.02695	19.2
301.03436	1.9
313.03488	1.4
314.04309	8.4
315.05072	46.6
316.05423	1.7
329.03012	3.1
377.28922	2.2
448.26199	0.7
462.08029	14.1
463.08331	0.6
477.10324	100.0
478.10587	5.3
490.16458	0.5
539.34357	8.5
540.34808	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	539.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.0
57.03447	6.7
58.00586	0.4
59.01376	10.0
61.98826	3.8
67.01859	0.2
69.03445	1.2
71.01376	11.9
71.05003	0.7
71.54229	0.4
72.01646	0.2
72.99312	0.7
73.02945	4.8
75.00870	0.9
75.42714	0.3
78.60806	0.3
78.91888	0.8
83.01382	3.1
83.05032	1.9
85.02943	8.0
85.06588	1.0
86.00075	0.4
87.00845	0.7
87.04511	1.2
88.98808	0.4
89.02424	2.1
95.01360	0.8
95.04979	0.4
97.02909	0.5
97.06567	0.7
99.00884	2.0
99.04532	0.5
101.02439	12.9
109.02940	0.3
111.00860	1.9
111.08153	0.6
113.02438	5.3
113.06052	0.6
113.09638	0.3
115.07645	4.4
119.03500	0.3
123.08097	0.3
124.60014	0.3
125.02438	1.3
125.09743	0.3
129.01949	0.6
129.09230	3.3
131.03453	0.4
135.02991	0.5
139.32187	0.3
143.03484	0.5
157.12335	4.8
159.02969	1.1
161.04520	1.9
168.88095	0.3
169.12375	0.5
171.13901	0.6
172.33157	0.3
173.11833	0.3
174.23062	0.3
183.13884	1.1
187.13347	0.3
201.14949	0.9
208.79340	0.3
217.14400	0.4
270.25848	0.3
271.22769	0.8
303.18625	0.3
303.21793	1.6
319.17706	0.7
359.28015	0.7
377.29034	9.5
429.24640	0.4
431.01642	0.3
447.25916	0.9
465.26935	0.7
476.21774	0.3
495.20773	0.6
521.33167	1.1
539.34296	100.0
540.34637	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	539.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70690	0.4
54.26933	0.4
56.77991	0.4
57.03433	1.0
59.01378	17.4
60.64095	0.4
61.98827	7.5
63.43602	0.3
71.01376	5.1
72.99315	0.7
73.02936	1.4
73.81645	0.4
75.00871	1.6
77.50027	0.4
78.95902	0.8
79.30678	0.4
83.01379	1.0
85.02941	2.5
87.00874	0.8
88.98784	1.2
89.02424	3.1
91.47090	0.4
96.96026	0.6
98.31638	0.4
99.04511	0.9
101.02439	4.3
108.02169	0.4
113.02467	2.6
119.03490	1.0
119.04992	0.7
125.02458	0.9
161.04565	1.4
163.04066	0.7
165.03984	1.2
167.14383	0.5
179.05585	0.7
181.12442	0.5
183.13866	5.6
193.12315	1.2
211.13380	100.0
212.13759	2.4
235.08208	0.8
253.09258	12.2
316.76071	0.5
396.55133	0.4
447.15894	0.7
447.22275	11.7
448.22601	0.9
479.32330	0.6
539.22369	0.5
539.34747	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	539.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75626	0.4
53.97717	0.3
55.01872	1.2
57.03445	5.4
58.00581	1.1
59.01378	24.6
61.98838	2.4
69.03444	0.5
69.56318	1.8
69.56731	0.6
71.01379	17.0
71.05017	1.6
72.99300	1.4
73.02951	3.9
73.83210	0.3
75.00867	1.9
80.06012	0.4
83.01393	2.6
83.01801	0.5
83.05002	0.5
85.02951	7.4
87.00864	1.5
87.04514	1.4
88.98792	0.5
89.02444	10.8
95.01384	1.5
97.02871	0.4
97.06567	0.5
99.00884	1.3
99.04519	0.4
101.02444	13.5
101.03113	0.7
101.06079	3.7
111.00871	0.8
111.08134	0.4
113.02450	6.6
115.07672	0.7
119.03500	4.4
123.08164	1.1
125.02439	0.8
126.19763	0.3
129.01967	0.4
135.08150	0.4
139.11288	0.3
141.09183	1.1
149.04533	0.4
151.11313	0.4
153.09213	1.0
159.02980	0.7
161.04562	0.9
162.05595	0.6
165.05586	0.3
169.12334	0.9
173.11784	0.9
179.05591	0.8
187.13376	4.6
198.01038	0.3
201.14894	0.5
216.13553	0.4
217.14441	1.6
231.15953	0.5
250.78357	0.3
257.21204	0.6
271.02435	0.8
274.73157	0.3
285.03967	0.3
299.01886	1.0
300.02606	0.7
315.05130	1.4
375.27496	2.4
376.27841	0.4
377.29044	20.5
378.29196	0.5
447.25742	0.8
449.09653	0.5
464.19202	0.4
465.27655	0.4
477.10330	3.8
479.24905	1.0
539.34320	100.0
540.34778	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	537.3277
Annotation	Virenamide A
Peak:m/z	Relative Intensity
50.71813	0.4
55.01874	2.8
57.03445	5.1
58.00583	1.4
59.01377	38.9
60.01720	0.5
60.99288	0.6
61.98827	11.4
63.64301	0.4
69.03461	0.9
69.19260	1.0
69.19669	3.3
71.01378	30.7
71.05011	4.8
72.99317	2.0
73.02946	10.5
75.00871	2.3
83.01379	4.7
83.05032	0.6
85.02945	15.4
85.06602	1.0
86.00101	0.6
87.00876	2.6
87.04516	2.6
88.98801	3.3
89.02444	15.5
95.01394	2.7
95.05016	0.6
97.02940	1.3
97.06593	1.2
99.00880	3.4
99.04527	0.8
99.08154	0.6
99.54598	0.5
101.02439	25.0
109.02969	0.6
109.06573	0.7
111.00868	1.9
111.08157	0.7
113.02443	13.2
115.07660	2.9
119.03489	6.3
121.10254	1.2
123.08165	0.5
125.02456	1.2
125.09743	1.1
127.11266	0.6
129.01949	1.2
129.09239	2.6
131.03534	0.7
135.02989	1.1
137.09726	3.1
138.02007	0.5
139.00262	0.5
143.03497	1.8
143.10764	1.2
149.02388	0.8
149.04538	0.9
149.99498	0.4
150.03185	1.1
151.11304	0.7
152.01158	1.2
153.09190	0.5
155.10783	1.7
157.12320	3.7
159.02982	2.8
159.10378	0.8
161.04552	6.1
164.04787	3.3
165.05545	1.8
167.10785	0.6
169.12335	2.1
171.10277	0.8
171.13879	0.8
173.11812	0.6
179.05605	3.0
179.07152	2.7
185.11905	0.7
187.13365	5.4
190.02736	0.7
195.06686	0.7
199.13448	1.4
203.12830	2.1
208.03709	0.6
217.14474	1.9
223.06125	1.6
242.64226	0.4
247.75348	0.4
258.69095	0.4
284.03470	0.6
285.03882	2.3
286.04138	0.7
287.04572	1.4
288.04825	0.7
300.02676	0.8
301.20270	0.8
319.17496	2.7
333.19196	3.8
349.18515	3.0
357.26447	1.3
363.20129	3.1
375.27521	11.0
376.27765	1.1
379.19687	2.6
389.20944	0.6
389.25482	4.7
402.36905	0.5
413.25381	0.9
430.21548	0.7
447.09293	2.9
449.27570	1.0
477.30829	1.2
482.55954	0.5
493.11105	2.0
493.17899	0.7
519.31647	5.6
520.31714	0.5
536.66919	0.7
537.32831	100.0
538.33142	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	537.3065
Annotation	Integristerone A 25-acetate
Peak:m/z	Relative Intensity
59.01376	100.0
61.98829	2.4
66.91575	0.7
70.99845	1.8
76.73014	0.8
77.01499	0.9
85.83916	0.8
104.14323	0.7
107.37282	0.9
111.38953	0.7
125.09716	1.1
153.05347	0.7
171.10260	9.4
175.04063	1.1
207.13985	0.7
211.13452	2.3
215.14369	1.0
233.15565	2.1
249.14999	4.0
385.24008	1.7
459.27505	16.2
460.27997	1.4
477.28574	14.8
477.34995	1.1
537.30817	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	5.3
59.01377	47.0
61.98823	14.6
66.16782	1.7
69.03476	2.4
71.01374	10.7
71.05017	2.0
72.99312	2.1
73.02915	4.6
75.00870	2.6
83.05019	3.9
85.02940	5.6
87.00875	1.9
88.98808	3.3
89.02420	6.5
99.00893	1.9
99.86017	1.7
101.02433	6.3
101.67358	1.5
111.08167	12.8
113.02426	7.1
119.03470	2.4
119.05020	3.6
147.04486	4.6
148.04854	2.3
161.04514	4.9
163.03999	3.0
164.07162	14.1
165.07466	7.0
165.12830	100.0
166.13199	3.3
170.71956	1.7
181.12323	2.4
183.13881	10.3
209.11780	8.6
227.12872	18.2
235.08176	3.3
241.14439	13.3
253.09306	9.4
374.19659	3.7
375.20108	12.2
409.87540	1.7
445.20724	54.1
446.21359	2.6
477.30725	2.3
537.25464	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	537.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.6
57.03440	1.8
58.00574	1.3
59.01375	30.7
61.98819	3.1
64.02610	0.8
69.24772	0.8
69.37604	3.5
69.38026	2.6
71.01381	21.2
72.99300	2.2
73.02921	2.2
75.00872	2.9
83.01373	1.1
85.02958	6.9
87.00882	2.1
88.98787	0.9
89.02441	31.9
92.05042	1.2
93.03444	5.7
95.01399	2.2
98.20724	1.6
99.00881	1.0
101.02447	12.0
108.02173	13.5
109.02377	1.6
109.02985	2.7
113.02452	9.4
115.66251	0.8
119.03495	11.0
121.02934	7.0
122.03740	12.3
123.04538	1.5
125.02412	1.2
129.01924	1.7
131.03534	1.3
134.03732	16.6
135.04514	1.0
136.01659	1.5
136.04036	2.3
137.02438	5.2
137.04314	1.2
143.03479	2.8
146.03709	1.0
147.03000	4.0
149.01274	1.7
149.02429	22.1
149.04396	1.8
149.06027	5.3
150.03223	89.0
151.03833	1.9
152.01151	30.7
153.01494	5.2
161.04570	5.4
162.03217	1.0
164.04779	5.8
165.05568	100.0
166.05888	2.4
169.45677	0.8
177.05469	1.2
178.02702	9.0
179.03474	1.0
179.04033	1.3
179.05576	12.2
179.07170	2.8
180.04283	6.8
193.05045	39.1
194.05428	1.2
195.06619	74.6
196.06885	2.1
209.04477	3.0
212.91144	0.8
225.07535	0.9
241.07300	1.0
295.11026	1.0
299.67203	0.8
312.09903	2.4
327.12311	18.2
328.12680	1.2
341.10181	1.7
375.14664	4.7
389.12436	2.6
399.09167	3.2
400.09583	1.7
417.10507	4.1
489.17657	3.8
505.14877	1.1
537.12750	26.3
537.20154	6.5
537.32422	1.8
538.13525	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
59.01374	6.3
61.98812	1.3
62.94108	0.6
70.36387	1.8
71.01375	4.1
72.99291	1.4
73.02946	1.1
75.00871	1.3
83.01416	0.5
85.02940	2.6
89.02439	3.5
93.03451	15.8
95.01392	1.1
98.20686	0.6
99.00892	0.6
101.02442	2.2
108.02169	49.3
109.02973	13.4
113.02432	2.5
119.03486	1.5
121.02927	0.9
122.03691	0.7
123.04466	0.7
125.02438	0.6
134.03726	2.3
135.04572	0.7
137.02432	26.0
138.02782	0.8
143.03546	0.5
144.24490	0.5
149.02365	1.5
150.03206	3.9
151.04018	1.5
152.01143	100.0
153.01935	4.9
158.76468	0.6
161.04529	0.6
163.03983	2.8
164.04820	0.6
165.01950	1.0
165.05533	4.3
166.02972	0.6
178.02663	1.0
179.03481	1.2
179.05545	0.7
180.04248	0.8
193.05045	4.3
195.06601	3.1
225.07652	1.1
241.07127	1.0
243.16130	0.7
285.06274	1.2
300.80179	0.5
327.12308	2.4
341.10522	0.6
389.12347	0.8
399.04129	1.1
399.09262	16.5
417.10345	17.1
418.10590	0.9
489.17572	1.6
537.12457	97.4
538.12750	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	537.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73793	0.9
53.78130	1.0
55.01877	7.3
56.44156	1.1
57.03440	2.8
58.00574	1.8
59.01376	49.0
61.98816	3.4
70.64982	2.6
71.01377	46.5
72.99300	3.5
73.02946	5.9
75.00871	5.5
83.01401	2.7
83.58638	1.0
85.02946	16.9
87.00871	4.1
89.01873	2.2
89.02440	46.2
93.03434	8.2
95.01383	2.7
95.05066	1.3
99.00893	3.5
101.02437	24.3
108.02155	14.6
109.02910	4.8
111.70919	1.2
113.02448	17.6
119.03509	12.8
119.04969	1.2
121.02963	11.0
122.03740	12.7
123.04535	1.6
125.02453	1.3
129.01944	2.6
131.03505	2.3
133.02924	4.0
134.03738	25.3
135.04527	2.8
136.01619	2.4
137.02451	9.0
139.03993	1.6
143.03474	3.8
147.02979	9.0
149.02426	50.5
149.04416	2.3
149.06004	7.1
150.03221	92.1
151.03854	1.7
151.56526	1.1
152.01141	24.1
153.01854	1.5
159.02943	1.8
161.04564	12.0
163.04091	1.3
164.04791	14.2
165.05557	100.0
166.05861	3.1
178.02737	12.7
178.25775	1.0
179.05630	19.8
179.07169	3.3
180.04291	8.7
193.05042	52.1
195.06607	51.3
239.07283	1.3
250.06392	1.5
267.06714	2.8
268.07159	1.1
282.08865	3.6
283.09818	1.7
295.10776	2.1
297.07733	1.4
305.95493	1.2
311.10367	1.3
312.10019	11.6
323.26001	1.1
327.12341	84.2
328.12549	4.7
341.10263	23.9
342.10318	1.6
357.09705	2.0
375.14404	4.5
389.12378	14.6
399.09317	3.7
417.10541	4.8
439.89319	1.2
489.17554	10.4
527.78485	1.4
537.13031	16.2
537.19751	23.0
538.19928	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.3
57.03440	2.8
58.00584	1.2
59.01377	17.3
59.98928	0.5
60.01717	0.5
61.98833	2.7
65.03944	0.9
69.03461	0.8
70.48933	1.3
71.01383	18.1
71.05018	0.9
72.99307	2.8
73.02944	6.3
75.00872	3.5
83.01389	3.8
85.02945	10.1
86.00081	0.4
87.00882	1.6
87.04504	1.0
88.98808	2.9
89.02447	8.8
93.03456	80.4
94.03827	0.7
95.01391	1.9
96.96011	0.8
97.02921	1.1
97.06618	1.0
99.00894	3.2
101.02441	13.3
108.02171	37.9
109.02960	10.4
109.06575	0.5
111.00894	1.9
111.08114	0.5
113.02443	8.1
119.03497	3.3
119.05072	0.6
121.02940	1.0
123.00896	1.1
123.04489	0.6
123.08174	0.6
125.02425	1.3
125.09740	1.0
128.03531	0.8
128.88416	0.5
129.01927	1.6
129.09219	2.4
135.04553	0.6
137.02441	100.0
137.09706	0.5
138.02768	1.7
143.03468	0.8
149.02515	0.5
149.04514	1.0
151.00333	0.5
152.01143	87.5
153.01961	3.7
155.10838	0.6
157.12360	2.8
159.03000	0.7
161.04529	4.6
163.03995	2.4
165.04054	2.2
165.05466	0.6
165.12845	2.3
171.13913	0.5
179.03500	0.6
179.05533	1.3
183.13889	5.3
187.09798	1.2
187.13425	1.6
201.14967	1.2
211.13353	1.0
217.14487	1.3
227.12851	5.7
245.17532	0.7
267.04956	0.7
284.03275	0.8
285.03711	3.2
285.06677	0.6
287.22272	3.7
299.05704	0.9
319.17566	1.8
335.17053	2.8
341.14008	0.8
349.18784	1.0
357.15558	1.2
363.20200	2.8
375.16663	1.3
375.27405	4.2
381.08365	0.7
389.18024	0.6
399.09290	84.0
400.09680	3.2
417.10498	3.1
447.09412	2.8
449.27512	17.5
477.30472	0.8
489.30884	0.7
507.32022	0.8
519.31482	2.2
536.31647	1.0
537.12518	59.5
537.21112	3.6
537.23480	2.7
537.32721	47.8
538.12854	3.4
538.32855	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45139	0.6
58.54902	0.5
59.01377	6.1
60.99305	14.9
61.98813	1.0
69.67551	4.0
71.01387	2.9
72.99299	0.9
73.02938	0.9
75.00877	1.4
77.77149	0.6
82.89925	0.6
85.02946	1.8
87.00883	1.0
88.98804	98.5
89.02467	2.7
101.02444	1.4
107.01369	0.9
113.02482	1.4
116.04301	0.6
125.02436	0.7
133.02957	1.9
149.02477	0.7
151.00362	2.3
175.04050	1.1
199.03914	1.0
227.03389	1.0
256.03662	2.3
267.07101	0.7
283.02518	0.7
284.03238	37.5
285.04019	85.2
286.04370	2.9
327.04999	0.9
345.13223	0.7
411.28864	0.7
447.09283	100.0
448.09662	5.8
506.63147	0.7
537.21588	6.4
537.32471	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	537.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92679	0.6
55.01877	1.5
57.03447	3.6
58.00597	1.2
59.01376	33.3
59.58817	0.5
61.98819	3.8
65.26254	0.5
66.44682	0.5
68.99797	0.5
69.03437	1.1
69.35156	4.4
69.38033	0.6
71.01378	20.7
71.05019	1.0
72.99309	1.9
73.02945	6.8
75.00872	1.8
83.01385	3.4
83.05071	0.6
84.74403	0.6
85.02950	9.4
87.00872	1.5
87.04524	1.2
88.98815	2.4
89.02441	16.6
89.35859	0.5
92.05083	0.7
93.03481	0.7
93.13070	0.5
95.01373	3.5
97.02941	0.8
97.06534	0.7
99.00886	2.2
99.04540	1.2
101.02437	14.6
101.06070	1.0
107.01383	1.1
108.02206	1.2
111.00906	0.9
113.02443	7.1
115.07637	1.9
119.03486	5.6
121.02946	10.1
121.03757	0.7
121.10240	1.2
123.00886	8.3
124.01653	25.1
124.04028	1.0
125.02451	12.0
129.01923	1.0
131.03607	0.8
131.04619	3.4
135.04550	0.7
136.01639	2.3
137.02464	0.8
137.09647	0.8
143.03487	1.0
149.04501	0.6
149.99577	42.2
151.00351	3.2
151.04019	2.6
152.01102	1.6
155.10805	1.1
157.12343	1.8
159.02911	0.9
161.04536	2.3
163.03970	1.2
165.01886	0.6
168.00629	95.8
169.01320	4.8
169.12332	1.1
179.05626	1.4
185.11806	0.6
187.13341	1.7
193.01474	0.7
195.07666	0.5
203.12863	1.0
215.06635	0.7
216.13701	0.7
217.14377	6.6
257.07721	1.6
284.03333	1.1
285.03925	1.7
301.05548	2.8
315.25522	0.8
345.26273	0.7
373.26151	0.7
375.27444	13.4
389.25562	1.0
415.08908	1.6
447.09235	2.2
519.31866	0.9
537.12476	100.0
537.32770	84.7
538.12952	6.1
538.32800	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2907
Annotation	Ajubractin C
Peak:m/z	Relative Intensity
59.01374	1.4
61.98816	0.8
69.62558	2.9
84.83658	0.4
91.04041	0.8
95.05017	1.6
98.20649	0.7
105.03461	5.4
108.73128	0.6
109.02976	0.5
117.03478	0.7
119.05030	1.4
121.02912	0.8
123.04444	0.6
132.02171	3.8
133.02954	33.9
134.03741	18.7
135.04532	6.1
136.01627	0.9
137.02444	5.5
139.03999	1.4
147.04503	1.7
149.06068	2.9
159.73193	0.5
160.01643	18.1
160.05240	0.7
161.02444	11.5
161.06053	1.3
175.03989	34.8
176.04431	0.5
177.01872	4.1
178.02686	4.9
179.03505	4.3
183.43175	0.6
193.05032	13.5
194.02185	1.4
198.70705	0.5
228.00719	0.7
267.19553	1.2
285.20743	5.1
348.80090	0.6
359.18478	1.2
407.94955	0.6
427.67920	0.6
429.22858	3.7
443.24316	6.4
447.23862	1.6
461.25381	23.4
462.25861	1.6
520.26794	1.7
535.29089	100.0
536.29395	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	535.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
57.03445	2.3
59.01377	61.6
61.98829	18.8
62.59040	1.0
69.03444	1.2
71.01382	19.3
72.99284	3.0
73.02944	5.0
75.00880	4.8
77.90688	1.1
81.16302	1.1
83.01394	2.1
85.02954	8.3
87.00854	4.1
88.98836	2.1
89.02444	6.5
95.01377	1.7
96.96023	2.0
99.00874	2.4
101.02438	10.8
109.02941	5.6
111.00876	1.5
113.02419	6.4
119.03515	2.9
121.02940	2.9
123.79369	1.1
124.01639	2.8
125.02468	1.8
133.02910	1.9
133.05067	1.2
134.03714	1.7
135.04506	6.6
136.05380	1.3
139.04073	2.5
141.88419	1.0
145.22292	1.3
147.04524	1.2
149.06050	2.5
161.04529	2.0
209.11832	1.3
232.86432	1.1
255.02911	2.5
269.04623	2.5
269.21109	2.5
271.09711	21.6
283.02509	6.5
285.20804	1.3
287.22263	28.3
295.09714	3.0
297.03931	3.6
298.04816	14.5
303.48251	1.2
313.07141	38.9
314.07370	2.6
373.17227	1.3
415.13693	4.0
431.26544	16.6
435.74307	1.3
449.27545	37.7
450.28107	3.0
475.29062	3.2
491.28586	100.0
492.28735	5.4
535.24597	2.3
535.32141	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	1.5
61.98808	2.5
66.30625	0.8
71.52859	0.7
91.04005	0.8
95.04982	2.2
105.03451	5.6
116.38077	0.8
117.03457	1.6
119.04999	2.4
119.39606	1.0
121.02933	1.7
132.02208	3.8
133.02953	33.5
134.03735	22.1
135.04539	5.3
137.02437	4.8
139.04010	2.0
145.02957	5.2
147.04495	3.1
149.06073	3.9
150.03148	1.2
153.05568	1.0
154.52756	0.8
160.01642	19.9
161.02435	14.1
161.06033	2.0
163.04012	1.3
171.08102	1.0
175.03995	43.4
177.01863	4.9
178.02734	4.8
179.03500	5.9
193.05057	14.8
194.02104	1.6
209.05519	0.9
237.27849	0.9
268.53378	0.8
285.20688	6.7
359.18588	2.0
429.22580	5.3
443.24197	6.1
447.23550	1.2
461.25308	28.2
462.25781	1.6
520.26630	1.1
535.29010	100.0
536.29291	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87640	0.3
57.03437	0.5
59.01375	17.3
61.98809	1.3
65.00320	0.4
69.03512	0.3
69.10027	0.3
69.35374	2.5
71.01374	3.1
73.02934	0.6
75.00848	1.0
78.54850	0.3
85.02944	1.5
87.00867	0.5
88.98804	0.4
89.02451	1.2
101.02430	2.2
111.00845	0.4
113.02433	1.2
119.03458	0.5
121.02908	1.0
122.06071	0.3
135.04530	0.7
137.02449	0.4
139.00368	0.8
140.01175	0.3
149.06047	0.6
152.07138	0.6
155.03485	0.8
161.04623	0.6
255.02960	10.6
268.03732	0.8
269.04526	9.0
269.06931	0.3
270.04846	0.4
271.09680	1.9
281.04510	0.6
283.02444	15.0
284.02805	0.4
296.03510	0.4
297.04019	17.6
298.04791	26.5
299.05103	1.1
311.05597	0.8
313.07150	100.0
314.07498	4.1
315.84879	0.4
331.08118	0.6
355.08258	0.7
373.26181	0.4
431.27115	0.7
431.48642	0.3
449.27493	0.5
460.18817	0.6
471.24619	0.4
475.29056	1.0
504.17203	0.7
517.17841	0.4
535.15289	0.4
535.22992	1.5
535.31189	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	535.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36771	0.8
57.03440	1.2
58.42485	0.8
58.81701	0.8
59.01377	16.2
61.98829	14.3
71.01369	4.7
73.02945	2.6
75.00887	0.8
79.11226	0.8
80.30248	0.8
83.01397	0.9
83.05038	1.1
85.02951	2.8
88.98798	1.1
89.02444	2.3
93.03468	1.9
101.02458	3.4
104.29420	0.9
111.08159	1.7
113.02445	1.8
119.05027	100.0
120.05370	1.7
124.01579	1.0
125.09549	0.9
135.10606	0.8
146.08932	1.1
147.04556	2.9
161.04524	0.9
163.04010	77.4
164.04373	1.5
164.07138	5.1
165.12830	9.3
181.08763	0.9
183.13885	7.1
207.13901	1.2
209.11815	2.3
221.15482	1.5
227.12851	13.7
233.11664	1.3
249.14874	1.5
251.12904	4.4
265.14410	2.5
269.13864	2.0
275.12839	2.6
293.13895	17.3
313.23624	1.3
325.09412	1.2
371.17108	8.2
374.19583	2.2
475.29062	1.1
535.22162	5.0
535.30963	1.8
536.23987	1.4
536.36877	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	534.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33715	0.2
57.28614	0.2
59.01374	0.8
61.98826	100.0
70.80556	0.5
71.01366	0.3
80.98842	0.2
82.08255	0.2
82.46658	0.2
85.02959	0.2
92.45184	0.2
125.02448	0.2
129.01909	0.2
162.05634	0.3
389.16467	0.2
414.16528	0.2
444.17590	0.2
535.26434	0.3
556.35913	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87448	0.6
59.01378	41.9
60.99008	1.5
60.99303	16.6
61.98825	2.4
68.31543	0.7
71.01377	2.5
73.02945	0.7
85.02950	1.4
88.00389	0.8
88.98802	100.0
89.02433	9.0
98.20757	1.4
99.04557	1.2
101.02442	2.1
108.02164	1.2
109.02949	8.1
113.02435	1.4
121.02941	1.9
123.04516	2.7
134.03717	1.2
135.04523	13.2
147.04492	2.6
149.06061	3.3
153.19914	0.8
193.00215	0.7
199.19115	0.7
203.55101	0.7
212.08594	0.8
214.06367	1.0
229.08655	0.9
241.05106	1.4
241.22185	0.8
249.09402	0.7
253.08534	0.7
256.07385	2.3
258.10324	0.7
271.09741	61.6
272.10025	2.7
300.33746	0.7
415.13910	2.4
522.01117	1.0
534.29620	0.8
535.31567	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	534.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.7
58.02953	0.8
59.01383	10.7
60.48979	0.7
61.98832	7.7
71.01385	9.0
71.54011	0.9
73.02933	1.4
75.45901	0.7
82.02967	3.8
83.01398	1.1
85.02953	2.3
85.04075	26.7
86.02484	1.7
87.05634	8.6
88.04044	5.5
89.02447	2.8
92.17275	0.7
97.04110	0.8
101.02448	3.1
102.00178	1.3
105.56057	0.6
109.04084	0.9
109.14277	0.6
111.01975	2.1
113.02456	2.1
113.03555	2.3
119.03530	1.1
125.02457	1.4
127.05147	2.9
128.03540	56.0
135.05630	4.2
145.06219	0.7
150.03139	1.0
152.08293	6.4
153.06714	2.6
157.06184	35.5
159.07690	1.8
160.15656	0.7
170.09308	0.8
178.06195	8.3
179.04568	7.5
184.04869	2.5
195.13744	0.8
196.07233	12.3
213.14952	3.7
214.08366	1.1
224.10370	1.2
241.54041	0.7
247.13652	6.4
268.09402	8.9
285.03799	1.1
286.04388	1.6
286.10440	18.2
294.30084	0.8
320.09222	1.1
321.09753	1.1
322.08847	1.2
401.44061	0.8
405.20450	4.5
429.25537	0.7
462.23004	1.0
475.29175	1.1
490.10336	2.1
516.23877	7.4
534.24847	100.0
535.24530	5.4
535.31494	2.5
537.06006	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30675	0.2
56.69199	0.2
59.01369	1.0
61.75235	0.2
61.98828	100.0
62.83345	0.2
69.33895	0.4
69.34293	0.9
71.01357	0.3
89.11406	0.2
94.79582	0.2
123.48607	0.2
130.33557	0.2
179.43520	0.2
200.89809	0.2
209.02029	0.2
252.52750	0.2
365.17883	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25208	0.6
56.60502	0.6
59.01384	1.0
61.98814	2.2
70.64375	1.1
70.64714	1.5
78.95898	5.9
89.05842	0.6
110.98541	4.8
145.02928	2.2
155.14359	0.7
167.01160	2.3
181.12337	0.8
185.02187	4.5
199.13416	18.5
201.43967	0.7
274.68567	0.7
279.19672	7.2
289.51898	0.7
292.31458	0.6
347.25897	6.0
365.26929	100.0
366.27145	4.1
533.28809	20.9
534.29510	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68950	0.7
57.03445	5.0
59.01374	6.3
71.01377	12.4
71.52734	1.0
72.99312	3.4
75.00867	20.4
83.01424	1.0
84.02174	0.8
85.02943	13.8
87.00865	7.3
89.02442	4.2
96.95975	1.1
97.02937	1.1
99.00877	6.0
101.02448	2.5
108.02171	3.2
109.02940	1.0
115.04006	0.8
117.03499	0.9
121.02949	0.8
125.02448	0.9
129.01930	14.1
133.02943	0.8
133.05080	3.2
134.03731	50.1
135.04063	0.9
137.02428	6.2
139.04019	1.2
139.13307	0.7
148.05319	0.9
149.06073	20.4
150.03197	0.9
152.01187	4.5
153.08009	0.8
155.96907	0.7
159.02974	3.2
160.01685	1.6
165.04004	1.4
167.65916	0.8
175.03970	4.8
176.04684	0.8
177.04024	53.9
178.01219	1.6
178.02708	26.2
178.04251	1.1
193.05035	100.0
194.05379	2.0
195.05067	3.7
220.03842	0.8
235.06068	1.7
353.08713	8.2
355.10312	12.0
357.10477	0.9
371.09872	6.8
372.34360	0.8
399.09192	3.1
408.63834	0.8
533.15045	100.0
534.15613	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
57.03448	4.3
58.00602	0.4
59.01377	29.0
61.98827	0.5
67.01889	0.4
68.99813	0.7
69.03449	0.8
69.42182	1.2
71.01379	22.3
72.99308	4.1
73.02950	3.9
75.00869	26.0
81.03455	0.4
83.01380	2.9
84.02153	0.5
85.02946	28.4
86.03303	0.3
87.00874	7.2
88.98799	0.2
89.02450	2.9
95.01382	3.5
96.96005	0.2
97.02958	0.8
99.00874	9.5
99.04521	0.8
101.02434	5.0
103.00387	1.3
108.02195	0.9
109.03000	0.3
111.00900	1.2
111.04544	0.3
111.30819	0.2
112.01666	0.7
113.02444	28.7
114.02782	0.4
115.00359	2.4
116.01201	0.3
117.01945	1.6
119.03468	0.5
125.02438	1.4
129.01939	1.7
131.03532	0.3
137.02432	0.5
139.03979	0.2
141.01967	0.4
143.03568	0.4
152.01109	1.3
153.01895	0.4
157.01410	1.4
157.83107	0.2
159.03001	0.5
161.04524	2.4
167.03482	0.3
173.04517	0.4
175.02469	4.3
201.04092	0.5
253.05014	1.2
254.05423	0.3
255.05736	0.3
271.02478	1.4
272.02826	0.2
284.03275	0.6
285.04056	0.7
299.01920	2.1
305.06839	0.3
314.04263	3.5
315.18063	1.0
329.06631	6.1
330.06696	0.2
371.24054	0.2
377.07233	2.6
415.19803	0.4
415.78748	0.2
429.21249	2.1
447.22391	0.7
473.20001	0.9
489.10220	0.3
491.21173	0.4
515.21326	0.4
533.22363	100.0
534.22650	5.4
534.30670	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.9
59.01370	10.8
68.99818	2.2
69.03463	1.2
71.01379	14.6
72.99296	3.1
75.00870	30.2
83.01369	1.8
85.02947	13.8
87.00873	9.4
88.63927	1.2
89.02421	5.3
93.03494	1.0
95.94151	1.0
97.02951	1.4
98.19720	1.7
99.00885	5.1
99.01440	1.0
101.02421	2.3
109.02940	1.6
111.00879	1.4
113.02430	1.3
121.02942	1.1
123.04550	1.4
123.42564	1.2
129.01930	12.0
132.02261	1.2
133.05031	2.9
134.03729	38.3
137.02432	4.7
141.01921	1.6
149.06053	10.3
152.01141	5.4
159.02911	2.0
160.01643	4.5
161.02365	1.7
168.00668	1.2
175.02580	1.9
175.03966	11.6
176.04709	2.0
177.04027	63.2
178.02689	18.5
179.03481	1.2
191.07167	2.4
193.05042	56.2
194.05258	1.3
195.05080	8.2
229.41725	1.3
235.06116	3.2
327.08582	1.9
335.07672	1.1
353.08719	25.1
355.10352	2.0
357.10153	1.4
371.09766	11.5
399.09366	3.7
497.12634	2.2
533.15051	100.0
534.15515	5.0
549.01520	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.5
59.01379	8.4
60.50340	0.6
61.98853	0.9
66.16186	0.6
71.01394	5.4
71.53455	0.8
71.53791	1.0
72.99326	1.7
73.02955	1.1
75.00890	3.0
77.91975	0.6
83.01397	1.8
85.02946	9.7
87.00892	2.9
89.02436	3.3
93.03474	2.2
95.01414	1.9
96.95998	4.8
99.00896	1.7
101.02460	2.0
108.34511	0.7
111.00894	2.2
113.02461	3.4
115.00382	1.8
117.05570	4.4
119.05064	1.9
120.01252	4.4
121.01563	0.9
121.02911	0.7
123.00886	7.2
124.01664	21.8
125.02457	13.0
129.01968	4.1
143.05016	1.8
149.98360	1.6
149.99579	33.5
151.00278	1.3
157.01295	0.9
160.04031	1.5
161.04507	1.0
163.04056	1.0
168.00638	89.6
169.01402	4.9
175.02486	3.9
175.11238	0.8
179.03490	1.2
182.89993	0.8
205.03505	5.8
223.04546	2.5
237.09258	0.9
239.05624	1.0
246.10710	0.7
249.06108	1.0
257.06610	1.1
265.08676	1.7
267.07181	2.3
301.05634	4.5
302.09485	0.8
327.08743	10.5
415.08847	1.6
489.15048	1.1
533.14893	100.0
534.14905	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	533.1293
Annotation	LLP3
Peak:m/z	Relative Intensity
56.08125	0.4
57.03448	2.5
59.01377	17.3
61.98824	3.5
63.02389	0.6
65.00349	0.8
68.62013	0.4
69.46253	3.3
71.01383	7.9
72.99307	0.8
73.02948	3.2
75.00874	1.2
83.01392	1.6
85.02953	4.1
85.04069	1.3
87.00871	1.2
87.04526	0.5
87.41947	0.5
89.02444	6.5
95.01395	0.5
96.96000	2.5
97.06593	0.7
98.19939	0.8
99.04497	0.9
101.02436	6.0
107.01409	0.7
109.02961	0.5
110.72388	0.5
113.02454	4.8
116.92807	0.6
117.03497	0.7
119.03544	2.2
119.05026	4.1
121.02945	0.5
125.02428	1.3
128.03522	3.2
131.03554	0.5
133.02968	0.6
133.05092	0.7
137.02423	0.7
141.16740	0.4
143.03468	0.5
149.04491	0.4
151.00340	1.4
157.06175	1.4
160.01614	0.8
161.02414	3.4
161.04533	1.9
163.03998	4.5
175.03981	0.5
179.05658	1.4
183.04485	1.1
185.02382	0.9
198.03258	3.0
198.17448	0.4
199.03929	1.9
200.01248	0.4
201.01962	0.5
202.02718	1.3
203.03345	0.6
211.04056	0.6
214.02768	1.2
215.03467	0.9
225.01901	0.8
226.02701	11.4
227.03479	7.7
228.03792	0.5
240.04247	0.8
242.02130	2.7
243.02914	6.5
252.04373	0.8
253.01436	3.2
255.02983	0.6
256.03775	0.8
267.06839	1.1
268.03751	5.6
269.01566	1.1
269.04532	22.4
270.01666	7.5
270.05096	2.0
271.02466	16.7
274.01102	0.7
284.03256	8.0
285.04041	24.9
285.07526	1.8
286.04227	1.1
297.03781	0.6
299.01959	17.8
300.02536	1.2
312.02765	1.0
313.03506	25.7
314.04309	9.5
320.09180	5.0
321.09424	2.2
327.05307	0.6
328.02246	0.5
328.05725	4.3
329.06622	18.3
343.04443	1.3
354.13510	0.5
371.24405	2.0
401.15872	0.6
413.90512	0.5
431.09955	1.2
473.27502	0.8
475.09018	0.6
489.10257	9.4
490.10419	0.6
491.28833	0.5
503.08255	17.4
504.08231	0.9
515.28448	1.3
518.10602	10.3
519.11334	0.7
532.27734	0.7
533.12976	100.0
533.29828	8.8
534.13275	5.4
549.87091	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37862	10.4
55.64497	9.3
57.03441	13.4
59.01376	76.7
61.98823	13.5
65.64832	10.5
69.64144	63.2
71.01369	24.5
75.00852	12.1
82.90785	10.0
83.01378	11.2
85.02957	64.9
89.02457	20.3
89.78904	11.7
92.69200	10.8
95.00891	9.7
96.11919	10.2
96.96001	46.4
98.20632	21.1
99.04579	12.1
101.02412	16.0
111.00942	10.9
113.02440	19.3
119.05006	14.0
129.01929	17.8
161.04561	9.7
163.04044	13.4
191.01953	13.0
209.11830	92.0
227.12918	20.3
253.09215	20.3
384.77188	11.4
436.75314	10.7
531.21997	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	44.0
61.98817	4.3
69.94464	5.0
71.01381	4.0
85.02940	2.4
89.02443	2.1
101.02434	2.0
111.08165	13.6
113.02438	4.9
118.46835	1.1
119.03468	1.2
137.65373	1.0
167.57564	1.0
169.12311	3.2
197.11819	47.8
198.12215	1.2
199.13310	2.2
209.11826	3.3
211.13383	5.4
227.12920	1.3
261.42111	1.2
263.20129	2.9
265.18106	1.5
268.33063	1.2
283.06055	1.3
291.19708	7.9
309.20688	100.0
310.20920	3.4
333.20761	3.5
483.37357	1.1
558.49152	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.9
56.67300	0.9
57.03444	21.8
59.01371	3.3
67.01855	1.2
70.62299	1.2
71.01379	6.6
71.52551	1.1
71.52979	1.1
72.99304	2.4
73.02940	1.5
75.00871	2.9
76.36393	1.0
83.01382	9.7
84.02164	1.6
85.02947	100.0
96.95983	1.1
99.00841	1.4
101.02435	3.7
111.00877	28.8
111.89270	1.0
113.02424	2.8
119.05027	20.5
129.01939	94.1
134.03723	1.4
140.01791	1.4
145.02953	2.5
161.04549	5.9
163.04005	13.5
187.02452	3.7
193.05009	1.0
205.03511	51.3
212.98138	1.2
226.05272	1.2
231.06621	2.5
249.06291	1.2
267.07169	2.0
325.09198	1.5
384.69568	1.1
503.44489	1.1
531.13519	13.7
531.20679	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	530.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87226	0.5
59.08637	0.4
61.98819	1.4
71.41588	0.4
71.41936	0.5
74.51456	0.5
78.95901	17.7
79.74156	0.4
85.18753	0.4
96.96978	0.4
105.19926	0.5
128.24055	0.4
152.99591	2.6
168.04300	3.4
183.59210	0.5
189.41830	0.4
210.41173	0.4
224.04881	0.7
224.06917	7.9
242.08005	1.8
255.23270	100.0
256.23615	3.6
277.21695	0.5
280.23517	0.6
457.17377	0.5
480.30917	78.0
481.31259	4.8
530.30322	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
57.03451	0.4
58.00597	0.2
59.01374	6.9
61.98823	0.4
69.03455	0.3
69.19180	1.2
69.19597	0.7
71.01378	5.7
71.97194	0.2
72.99324	0.2
73.02943	0.9
76.22182	0.2
79.59892	0.2
83.01367	0.6
85.02942	1.3
87.00859	0.8
89.02440	5.7
91.03995	0.3
95.01395	0.5
97.02991	0.3
98.20669	0.3
101.02438	6.8
101.03111	0.3
111.08157	0.5
113.02441	3.1
113.09709	0.4
119.03500	2.1
125.02421	0.2
131.03519	0.3
143.03479	0.6
161.04546	3.7
167.10718	0.4
171.34425	0.2
177.12798	0.3
179.05606	1.2
179.10664	0.2
179.14401	0.6
195.13890	8.7
196.14612	0.7
205.12286	0.6
205.15913	0.4
211.13393	0.6
223.13379	6.2
228.13623	0.6
231.21196	0.5
235.08165	0.3
253.09262	33.4
254.09615	0.8
256.13235	1.4
265.21652	0.5
273.65964	0.2
275.20148	5.2
291.19739	0.8
292.19983	0.4
293.21194	100.0
294.21521	4.2
319.20325	0.2
451.64868	0.2
492.22189	1.0
529.30212	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.3
57.03458	0.6
58.00600	0.3
59.01377	7.9
63.55776	0.1
69.03460	0.5
69.23169	1.2
69.41471	0.1
71.01380	5.6
72.01711	0.1
72.99322	0.2
73.02941	1.0
80.39802	0.1
83.01397	0.5
83.05025	0.3
85.02946	1.3
87.00879	0.8
89.02442	5.2
94.13618	0.2
95.01397	0.4
95.05045	0.3
97.06620	0.3
99.00891	0.2
101.02441	6.3
109.06548	0.2
111.08198	0.3
113.02444	2.7
113.09711	0.4
114.02640	0.1
115.04083	0.2
119.03481	1.7
120.37260	0.1
125.02435	0.3
125.09747	0.1
131.03485	0.4
141.09235	0.1
143.03514	0.5
149.09698	0.2
160.07513	0.1
161.04544	3.3
167.10789	0.4
169.12401	0.1
177.12857	0.2
178.60591	0.1
179.05586	1.2
179.14459	0.9
181.12375	0.2
188.56738	0.1
195.13895	9.3
196.14565	0.8
205.12291	0.8
205.16026	0.5
211.13396	0.7
223.13371	6.2
223.15608	0.2
224.13710	0.2
225.15292	0.1
228.13678	0.6
231.21182	0.4
231.85626	0.2
235.08255	0.3
253.09279	31.0
254.09679	0.7
256.13171	1.2
265.21741	0.5
275.20154	5.4
293.21210	100.0
294.21533	4.5
299.93488	0.2
307.19186	0.2
333.58133	0.2
492.21982	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.0
59.01387	9.7
61.98819	1.7
71.01378	11.6
71.53907	1.4
72.99316	5.3
73.02936	1.5
74.46629	1.0
75.00874	16.2
83.01433	1.2
85.02947	16.6
87.00887	5.5
89.02436	2.8
92.39233	1.1
95.01379	4.7
99.00879	8.6
103.00421	1.1
105.91666	1.0
110.42064	1.0
113.02448	21.2
115.00401	1.6
117.01985	2.4
129.01900	1.3
175.02440	2.3
219.71161	1.1
231.05035	2.5
249.06158	17.2
267.07220	3.9
277.21704	59.4
278.22015	1.7
291.19739	1.8
302.69992	1.0
313.92581	1.0
509.27597	3.3
527.28589	100.0
528.29028	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	528.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.6
59.01378	11.9
61.98831	35.7
63.99207	0.7
69.61314	4.2
71.01379	16.8
72.99294	3.2
73.02937	1.1
75.00468	1.5
75.00869	20.0
83.01374	1.9
85.02947	20.0
87.00885	6.8
88.98792	2.3
89.02458	6.0
91.49574	0.8
95.01384	2.0
96.96024	1.1
99.00880	6.7
101.02407	4.0
112.01629	1.0
113.02444	20.3
115.00349	1.5
117.02005	1.4
117.52738	0.8
119.03524	2.0
129.01892	0.9
164.80969	1.0
173.04482	1.0
175.02417	1.4
180.95274	0.8
190.10088	0.9
193.91364	0.8
198.41475	0.8
248.07785	0.8
269.13025	1.9
286.67157	0.8
313.11615	0.9
348.94656	0.8
387.81470	1.0
465.19739	100.0
466.20038	5.1
496.23941	1.0
528.20044	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
57.59056	0.2
58.98042	0.2
59.01376	5.5
61.98823	0.6
69.96238	0.9
71.01376	3.7
72.99283	0.3
73.02924	0.6
83.01385	0.4
83.05023	0.4
85.02937	0.7
87.00861	0.6
89.02441	3.3
93.03453	0.2
95.01398	0.4
95.05021	0.5
97.02956	0.3
97.06546	0.3
98.19981	0.4
101.02438	3.6
109.06572	0.5
111.08154	7.1
112.08485	0.3
113.02460	1.6
113.09749	0.5
119.03509	1.0
123.08140	0.2
135.11862	0.2
137.09682	0.7
143.03535	0.3
149.09708	0.2
153.30322	0.2
153.42339	0.3
161.04567	1.5
167.10751	1.8
171.10306	0.4
177.12856	1.5
179.05585	0.5
179.10783	1.5
181.12297	0.2
193.12242	0.2
195.13899	5.2
203.14404	0.5
209.11867	0.6
219.17560	0.3
232.40428	0.2
235.08171	0.6
247.20636	2.2
253.09265	15.1
254.09608	0.5
263.20148	0.7
273.18591	1.8
291.19641	100.0
292.19983	4.4
314.74780	0.2
319.65210	0.2
351.63788	0.2
527.28564	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	526.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.4
61.98827	100.0
63.99314	0.2
71.01385	0.7
71.52583	0.4
71.52953	0.4
73.59325	0.2
74.85718	0.2
78.95910	1.1
80.96513	1.8
83.01402	0.2
85.02946	0.3
87.00901	0.3
89.02451	0.5
94.98119	0.3
96.95985	0.3
97.35637	0.3
110.32729	0.3
113.02419	0.3
150.03180	0.3
160.01686	0.3
165.05640	0.3
171.00694	0.3
221.05998	0.3
221.08206	0.2
225.00694	0.6
237.21790	0.2
241.05113	0.2
331.07672	0.2
440.14606	0.2
526.19916	0.3
526.28009	1.0
527.17889	2.8
546.18060	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18922	0.3
57.03431	0.4
59.01378	2.0
61.98827	5.2
63.96226	0.8
64.96999	0.4
69.03453	0.4
69.37766	1.2
69.38194	1.3
71.01379	5.4
72.99282	0.3
73.02937	1.9
78.95888	0.6
78.98592	4.1
79.95728	8.0
80.96512	48.4
81.03469	0.8
85.02939	2.4
87.00867	2.5
94.98079	13.0
95.01378	0.4
96.96001	2.1
97.02946	1.1
99.00838	0.3
101.02443	2.2
106.98090	2.3
113.02428	0.9
122.97581	2.3
125.02429	2.9
127.04039	0.8
134.97565	3.3
136.99161	1.0
148.99121	4.8
152.30009	0.3
152.98611	5.3
161.91713	0.3
164.98619	10.0
165.05554	0.3
165.12817	1.1
183.13878	5.0
184.97716	0.3
188.98665	0.4
206.99667	2.5
210.33444	0.3
225.00720	16.4
290.78775	0.3
299.04486	1.9
317.05453	0.3
483.18997	1.0
509.17029	0.5
527.17981	100.0
528.18341	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	527.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67312	0.5
56.10383	0.6
59.01382	0.7
61.43470	0.5
61.98800	0.6
63.96224	1.0
69.60581	0.5
71.01379	5.7
73.02934	1.7
78.98586	4.5
79.95726	7.5
80.96514	47.7
81.03427	0.9
85.02941	1.9
87.00871	1.7
94.98084	12.1
96.95995	1.2
97.02938	0.8
99.00900	0.6
101.02447	3.3
103.86218	0.6
106.98100	2.7
113.02467	0.7
122.97588	5.0
125.02446	3.1
134.97580	3.1
139.66190	0.5
144.04958	0.6
148.99109	5.1
152.98607	6.6
164.98613	10.2
165.12828	0.7
182.99683	2.2
183.13889	5.2
206.99738	2.6
225.00725	18.5
243.01775	1.6
268.96954	0.6
284.00232	0.6
299.04239	2.8
483.19208	1.4
509.16870	0.7
514.61310	0.6
527.18005	100.0
528.18250	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	526.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.2
61.82306	0.1
61.98828	100.0
63.99030	0.1
69.26081	1.2
80.96519	0.3
83.06792	0.1
92.46924	0.1
118.29741	0.1
122.88307	0.1
184.19106	0.1
196.46622	0.1
200.08896	0.1
292.16577	0.2
302.21216	0.1
511.55524	0.1
526.17926	0.2
527.18298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
59.01368	3.0
61.98829	100.0
69.64491	3.8
71.01389	2.3
73.02952	1.1
83.01377	0.9
85.02955	0.6
89.02463	1.6
101.02450	2.3
113.02418	1.1
119.03537	0.6
125.02438	5.6
134.78389	0.6
165.12828	3.9
172.32281	0.6
183.13882	32.8
209.11969	0.8
214.52679	0.5
217.35269	0.6
227.12907	2.4
253.09337	2.0
301.07434	1.3
463.12540	4.3
463.21820	50.2
464.12589	0.8
464.22421	2.1
525.35834	0.8
526.35748	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33981	1.3
59.01371	3.1
61.98826	100.0
71.01315	2.1
71.01646	1.9
87.36457	1.3
89.02460	1.2
98.86080	1.2
112.49251	1.4
144.01892	1.4
165.12804	3.6
179.02296	1.3
183.13892	44.7
219.47356	1.3
227.12831	5.1
253.09288	2.5
273.97229	1.3
278.55399	1.4
360.18573	1.4
463.21832	62.0
464.22113	5.6
526.27881	2.5
544.83838	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.12
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26383	0.3
54.24915	0.2
57.01914	0.2
57.03447	3.8
59.01385	1.7
61.98828	100.0
69.81182	0.6
69.81584	1.1
71.01370	0.7
73.02921	0.3
80.96519	0.3
81.03461	1.4
83.01391	2.6
85.02950	0.5
101.02461	0.4
103.09892	0.3
113.02467	0.3
125.02441	39.4
126.02762	0.6
137.02452	1.6
148.01649	0.5
149.33611	0.3
153.02089	0.2
163.03964	0.5
174.69061	0.3
177.01901	0.4
191.07088	0.5
200.04787	0.3
215.07066	0.3
257.08411	0.3
283.06161	0.4
301.03650	0.6
301.07126	11.0
302.07532	0.4
322.61270	0.3
438.53101	0.3
463.12454	34.9
464.12582	1.8
525.35437	1.0
526.18518	0.5
527.18030	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.6
61.98841	2.9
69.80219	1.8
69.80626	0.7
71.01365	1.6
73.02964	0.5
75.00864	2.5
78.76562	0.5
81.57562	0.6
85.02952	1.2
88.85550	0.4
89.02416	0.8
107.01344	0.8
113.02441	0.9
119.05045	1.0
130.50787	0.5
149.02448	1.6
149.07596	0.5
151.00374	1.8
157.76170	0.5
215.03596	0.7
222.88179	0.5
223.48651	0.5
271.11374	0.6
272.03247	2.5
300.02725	51.1
301.03497	44.3
302.03934	1.4
343.04642	1.5
463.08798	100.0
464.09064	4.8
525.21399	0.7
525.33765	0.7
526.22333	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66133	1.2
52.61167	1.0
55.50391	1.2
59.01377	2.1
61.98826	15.7
69.37466	7.4
69.37884	2.7
94.28764	1.2
98.20810	1.9
108.02141	1.4
109.02941	1.3
119.05021	4.4
121.02959	1.7
145.02937	1.6
151.00337	7.4
159.07161	1.2
162.68373	1.3
163.03989	3.4
178.99843	4.6
182.05417	1.5
227.03412	2.2
243.02924	6.2
245.04874	1.3
254.02179	2.2
255.02939	15.8
271.02451	33.5
272.03036	1.6
300.02707	79.5
300.84894	1.3
301.03473	39.8
318.32059	1.4
364.14154	3.0
374.80490	1.3
376.32910	1.4
463.08783	100.0
464.09119	4.1
512.78864	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85744	0.3
54.78058	0.3
55.81748	0.3
59.01360	1.4
60.99303	13.8
61.98826	11.6
71.01378	0.5
77.26636	0.3
88.98798	100.0
89.99146	0.5
123.04544	0.4
125.02438	0.6
148.72487	0.3
167.03496	2.0
193.01355	0.5
197.11809	1.9
230.42809	0.4
273.07614	2.8
274.08218	0.3
301.03500	0.5
348.50061	0.3
543.48785	0.4
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
51.48371	0.2
55.01873	0.4
56.73818	0.2
57.03433	0.6
58.17621	0.2
59.01378	23.2
60.01705	0.2
61.98829	100.0
65.16384	0.2
69.03436	0.2
69.87814	1.1
71.01384	4.6
72.01737	0.3
72.99300	0.2
73.02950	1.5
75.00862	0.4
81.36356	0.2
83.01389	0.7
85.02949	2.7
87.00905	0.3
87.62129	0.2
88.98853	0.2
89.02433	0.6
91.57475	0.2
95.01381	0.4
96.08309	0.2
99.00880	0.8
101.02435	3.5
102.02769	0.4
107.01427	0.2
111.00867	0.5
113.02452	1.6
113.09810	0.2
114.02814	0.3
119.03535	0.2
121.02962	0.3
149.02448	0.6
150.03133	0.5
151.00366	0.7
159.02969	0.4
161.04578	0.6
165.05573	0.9
166.05919	0.6
171.13916	0.3
183.35138	0.2
201.14961	0.2
204.38336	0.2
245.79198	0.2
255.02982	0.8
270.05273	0.7
271.05661	1.4
271.09238	0.2
283.02426	0.8
284.03287	0.6
285.07755	1.7
286.07993	2.3
298.04834	0.8
299.05615	2.7
300.09961	1.1
301.10498	2.6
302.11188	2.3
357.22708	0.2
361.29733	1.2
362.29773	1.4
375.23920	2.5
417.25018	1.8
461.10904	4.7
462.11047	0.3
464.16385	1.4
523.34814	3.8
524.35156	15.0
525.35248	0.4
529.58862	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.0
59.28855	1.0
71.01382	3.6
71.05024	2.7
71.06916	1.2
71.07262	1.0
81.03426	1.7
83.01402	2.6
88.04038	29.9
92.38181	0.8
95.01378	1.6
95.04977	1.3
97.02932	1.5
99.04502	2.1
109.02937	6.5
111.04500	3.2
116.07166	1.2
121.02987	1.4
123.00864	2.9
123.04470	0.9
124.01641	2.8
124.62252	0.9
125.02438	57.1
135.04599	1.1
137.02443	17.7
139.03992	12.7
146.08217	13.9
149.06055	0.9
151.04016	1.2
157.70116	0.9
159.04529	0.8
160.63528	0.8
161.02417	2.0
164.01176	4.3
165.01915	11.7
166.02583	1.1
167.03491	14.3
175.03969	1.7
177.01949	1.6
177.05548	2.8
178.02737	0.8
179.03481	12.7
201.05556	1.0
203.03439	2.0
204.04254	2.9
218.10303	39.7
219.06557	9.7
219.10347	0.7
221.04515	4.5
243.06772	0.9
261.07718	2.6
305.06631	100.0
306.07010	3.8
323.80154	0.8
465.23044	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38433	0.2
59.01379	19.7
60.01705	0.3
60.99294	0.3
61.98829	100.0
71.01385	1.0
73.02939	0.5
75.00874	0.3
81.39848	0.3
85.02975	0.6
88.98821	1.6
99.00915	0.3
101.02463	1.1
113.02441	0.7
118.66951	0.3
154.09465	0.2
161.04634	0.3
184.54422	0.2
213.87285	0.2
224.81035	0.2
267.07166	0.3
272.06525	0.2
302.11270	0.6
375.23770	1.2
392.27579	0.5
417.25186	0.8
417.72958	0.3
518.04706	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71677	0.2
59.01380	1.3
61.98828	100.0
71.01406	0.2
75.00870	0.5
87.61151	0.2
88.98801	0.3
89.02460	0.3
89.32507	0.2
92.92130	0.2
98.20677	0.3
110.06238	0.3
113.38217	0.2
152.01207	0.2
152.07195	0.4
164.28148	0.2
188.07257	0.3
188.39586	0.2
213.05821	0.2
227.12869	0.3
229.46645	0.2
239.11954	0.3
245.26982	0.3
255.02971	2.5
261.57062	0.2
266.67688	0.2
268.87183	0.2
283.02524	2.1
283.11023	0.2
284.03223	0.5
292.96411	0.2
297.04166	0.5
298.04791	1.0
299.05713	0.5
304.07657	0.4
307.10864	0.4
308.11798	0.4
314.30078	0.2
430.17966	0.4
441.85764	0.2
446.08514	1.4
448.19119	0.9
461.10849	6.4
462.11456	0.3
492.17789	2.1
501.92740	0.2
524.13605	0.3
524.20807	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42809	0.3
54.53411	0.3
55.01875	2.0
57.03445	3.0
58.00587	0.6
59.01378	11.1
61.98825	8.3
68.99823	0.3
69.03445	0.6
69.30524	1.0
69.30950	1.6
71.01379	16.6
71.04984	0.4
72.01696	0.4
72.99293	0.9
73.02941	7.2
75.00868	0.6
83.01379	4.3
85.02943	11.7
86.00087	0.4
87.00894	1.6
87.04517	1.0
88.62878	0.3
89.02428	1.1
95.01375	1.9
97.02966	0.4
97.06569	0.3
98.20736	0.3
99.00855	3.1
101.02437	15.0
109.06541	0.4
111.00879	4.5
113.01723	0.5
113.02441	6.4
119.03513	0.4
123.08128	0.9
129.01926	1.2
139.11211	0.3
141.09236	0.6
141.12859	1.1
143.03477	0.5
148.29312	0.3
153.09195	0.9
157.12283	0.4
159.02992	1.9
161.04552	1.9
169.12254	0.4
171.13866	1.9
181.12256	0.4
187.13330	0.8
200.14192	0.4
201.14914	2.3
214.16589	0.3
217.14438	0.6
255.02979	0.8
283.02505	1.3
298.04938	0.9
315.25375	0.9
325.68231	0.3
343.28476	0.5
359.28082	2.1
361.29572	12.6
362.29916	0.6
406.46732	0.3
461.10809	2.3
521.32965	0.4
523.34814	100.0
524.35107	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	524.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14442	0.3
57.03453	0.5
59.01377	6.8
61.98828	100.0
64.81696	0.3
70.54698	0.7
71.01380	2.9
72.99322	0.3
73.02943	0.8
75.00859	0.6
79.00359	0.3
83.01370	0.5
85.02953	1.0
85.83405	0.2
87.00925	0.4
89.02450	1.2
90.55035	0.2
91.05512	0.3
95.01353	0.3
96.96027	0.3
101.02451	1.9
107.03767	0.3
113.02475	1.2
119.03475	0.4
122.06120	2.4
123.04469	0.3
134.06114	0.3
152.07156	3.5
161.04630	0.4
163.03947	0.3
176.03470	0.3
179.05739	0.3
183.13870	0.6
184.14250	0.4
187.20421	0.2
190.05070	0.4
226.02736	0.4
227.03481	0.3
227.31534	0.3
233.86519	0.2
239.11786	0.3
253.06329	0.4
255.02972	1.0
283.02371	0.7
283.10873	1.6
285.03894	0.3
295.10938	0.7
298.04865	0.6
301.16666	0.5
313.03589	1.1
361.29660	1.5
375.27661	0.9
376.27740	0.5
378.61942	0.3
431.06079	1.0
446.08636	1.4
448.18448	0.6
461.10925	6.8
462.10831	0.3
492.17542	1.3
523.34961	4.7
524.20325	9.8
524.35040	2.5
525.20416	0.5
527.18518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.5
59.01077	0.2
59.01371	4.3
61.98829	3.0
65.77657	0.2
69.19518	0.9
69.19949	1.0
71.01011	0.3
71.01377	4.3
73.02934	1.1
75.00866	0.4
82.16130	0.2
83.01374	0.5
85.02949	1.8
85.06379	0.2
88.98846	0.3
89.02451	1.6
91.04005	0.8
93.03452	0.3
99.00895	0.4
99.08167	0.8
101.02441	3.9
102.86262	0.2
107.46823	0.2
113.02440	2.1
119.03461	0.4
125.02415	0.3
129.01949	0.2
129.09195	0.6
134.15475	0.2
137.02446	0.4
141.12854	1.2
143.03499	0.4
152.01132	0.7
155.14429	0.5
159.03000	0.3
161.04568	2.9
223.20624	0.3
241.21712	0.6
253.09270	13.9
254.09653	0.4
269.21234	2.2
285.20712	1.4
287.22260	100.0
288.22565	4.2
361.29648	0.5
382.81396	0.2
417.10349	0.3
431.26483	0.5
468.74713	0.2
523.23950	0.6
523.34680	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	523.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.6
57.03444	2.1
58.00587	0.9
58.54857	0.4
59.01379	11.0
61.98821	2.6
69.03452	1.4
71.01376	21.3
71.53443	0.5
72.99305	1.8
73.02941	4.9
74.07527	0.4
75.00851	0.6
75.28128	0.3
76.66798	0.4
77.31811	0.4
80.96511	0.5
83.01382	4.1
85.02459	0.6
85.02950	9.0
86.00097	0.6
87.00887	2.9
89.02448	2.0
93.03433	0.4
95.01391	2.1
95.89343	0.4
97.02949	1.6
99.00890	1.8
99.08156	0.7
101.02442	9.9
108.02168	0.4
111.00871	1.7
111.15398	0.5
112.01640	1.6
113.02464	6.3
119.03542	0.6
124.01652	1.5
125.02436	3.7
129.01871	0.9
133.38503	0.3
141.12851	1.0
142.60162	0.4
152.01129	1.5
153.09221	0.4
155.14349	0.4
159.03009	0.6
171.13908	0.5
201.15074	0.6
227.76974	0.4
253.21516	0.4
269.21155	2.0
285.20627	1.2
287.22256	29.0
288.22559	1.2
299.22110	0.5
301.23730	0.6
323.33447	0.4
329.23251	2.0
361.29520	3.2
431.26440	100.0
432.26700	5.1
434.05588	0.4
449.27499	39.5
450.27930	2.4
523.18646	1.2
523.34723	31.8
524.34888	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01922	0.8
57.03490	1.1
58.00626	0.4
59.01109	0.4
59.01380	7.9
61.98527	0.3
61.98825	4.6
68.75032	0.2
68.99854	0.2
69.03456	1.3
69.20336	2.3
71.01379	14.7
72.99310	1.1
73.02953	2.9
75.00920	0.4
79.95744	0.3
80.96522	1.7
81.03514	0.7
81.69857	0.2
83.01387	2.6
85.02948	6.1
86.00149	0.4
87.00874	2.5
89.02451	1.2
94.98148	0.2
95.01398	1.5
97.03029	1.0
98.67094	0.2
99.00953	1.0
99.08200	0.5
101.02435	5.3
102.69235	0.2
111.00955	0.6
112.01645	1.1
113.02445	4.2
119.03584	0.7
124.01649	1.3
125.02445	2.5
129.09227	0.3
139.04021	0.3
141.12947	0.8
143.03558	0.5
152.98682	0.3
161.02495	0.4
164.98666	0.4
225.00742	0.6
241.21785	0.3
269.21185	1.9
271.22961	0.4
285.20541	0.5
287.22260	28.4
288.22684	1.1
299.22305	0.9
301.10895	0.4
301.23984	0.6
329.23392	1.4
361.29547	0.8
401.25858	0.2
413.25558	0.6
431.26459	100.0
432.26855	4.9
449.27524	35.1
450.27914	2.1
465.07388	0.2
504.98953	0.3
523.18195	2.8
523.34729	6.7
524.19312	0.3
524.35370	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90892	0.3
59.01375	1.1
60.99321	0.6
61.98830	1.2
66.61933	0.3
69.38030	2.6
69.73534	0.3
71.01372	0.5
88.98812	2.9
89.02438	0.8
91.04016	0.3
93.03452	0.6
93.70441	0.4
104.55889	0.3
106.04246	0.4
117.03416	0.8
121.02941	0.8
132.02138	0.7
133.01918	0.8
133.02953	18.4
134.03757	8.3
135.04520	36.8
136.04852	0.9
137.02423	4.8
139.04019	1.3
139.55966	0.4
150.03201	0.8
161.02434	78.0
162.02792	1.5
178.02727	2.0
179.03488	16.7
180.07474	0.3
235.06081	0.6
269.21335	0.5
287.19302	0.7
287.22247	6.8
361.20258	0.4
363.25342	0.9
431.24323	31.8
432.24576	2.1
449.25452	13.6
450.25821	0.7
523.29095	100.0
524.29474	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	523.2906
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
56.15130	0.2
59.01371	0.6
61.98837	0.3
63.55396	0.2
65.59039	0.2
68.11076	0.2
69.19343	0.5
69.19749	1.5
93.03487	0.3
105.03447	0.4
106.04228	0.5
107.05019	0.5
117.03478	0.8
121.02936	0.8
132.02182	0.6
133.02951	16.4
134.03743	8.3
135.04518	37.3
136.04848	0.8
137.02435	5.2
139.04022	1.5
146.20656	0.2
149.87366	0.2
150.03192	0.7
161.02432	76.6
162.02795	1.3
163.46243	0.2
165.01941	0.2
178.02698	2.1
179.03491	17.6
180.03891	0.4
189.09143	0.2
232.65233	0.2
235.06108	0.7
269.21130	0.3
287.22269	6.3
288.22906	0.3
361.20111	0.3
363.25479	0.8
387.25177	0.5
431.24329	33.3
432.24725	1.9
449.25406	12.2
450.25519	0.7
523.29071	100.0
524.29395	6.3
524.37372	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	20.1
61.98812	3.4
69.13399	1.4
71.01370	8.6
73.02951	1.4
74.04314	1.3
75.00871	5.2
76.88306	1.4
83.05025	2.7
83.58907	1.6
85.02950	3.6
87.00865	1.6
87.09000	1.3
89.02425	6.5
99.00849	1.7
101.02462	7.0
113.02469	3.2
119.03492	2.9
121.02885	1.3
129.01903	3.8
150.01288	1.4
151.39192	1.2
159.02965	1.3
163.08861	1.6
163.11263	4.7
165.05495	2.3
165.12904	1.5
177.04045	4.0
189.99265	1.3
195.05089	6.4
197.09697	5.0
209.11810	100.0
210.12123	2.1
227.12891	18.0
227.36243	1.7
233.67316	1.8
253.09239	14.3
255.33832	1.5
283.09549	1.7
361.16516	8.0
372.54962	1.5
463.87747	1.4
479.15497	3.6
479.24832	1.9
505.14133	1.7
523.14496	3.7
523.21783	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	523.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01760	0.1
55.01874	1.1
57.03448	3.3
58.00586	0.4
59.01377	22.5
60.31678	0.2
61.63090	0.2
61.98829	3.1
67.01887	0.2
68.99828	0.6
69.03448	0.6
70.67509	0.4
71.01378	17.9
71.60149	0.1
72.99309	3.4
73.02943	3.0
75.00870	23.4
80.06467	0.2
81.03481	0.2
83.01382	2.2
84.02174	0.4
85.02948	24.2
86.03280	0.2
87.00873	5.9
89.02442	1.9
89.02950	0.2
95.01389	2.7
97.02948	0.8
99.00881	7.3
101.02433	5.2
103.00366	0.4
106.41431	0.1
108.75836	0.2
109.02970	0.2
111.00872	0.7
111.57615	0.2
112.01665	0.7
113.02447	24.0
114.02802	0.3
115.00368	1.8
116.01180	0.4
117.01935	1.5
125.02449	0.7
129.01923	0.9
131.03517	0.3
139.03922	0.2
143.03523	0.3
152.29271	0.2
157.01474	1.0
159.02968	0.4
161.04582	1.2
173.04565	0.3
175.02473	2.9
179.92615	0.1
207.34102	0.2
287.22192	0.2
305.19644	2.3
306.20123	0.2
347.20593	0.2
361.29456	0.2
401.21637	0.2
405.21237	0.3
419.22733	2.1
437.23788	0.3
463.21881	0.8
481.22720	0.2
505.22852	0.5
523.23901	100.0
524.24298	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2183
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01366	1.4
69.46030	1.5
69.46457	1.7
71.01376	2.2
73.02940	0.5
73.97450	0.5
75.00869	1.2
85.02940	1.3
89.60737	0.5
93.03478	1.0
95.01392	0.6
98.19756	0.4
98.81876	0.5
101.02405	1.0
109.02955	3.9
113.02480	0.7
118.97069	0.4
121.02951	11.2
122.02908	0.8
122.03741	11.8
123.04481	1.2
124.01698	0.9
124.31313	0.4
129.03477	0.6
134.03714	0.8
135.04510	1.6
136.05238	1.1
137.02440	1.9
146.03748	0.6
147.04501	5.2
149.04463	0.5
149.06050	1.2
154.02699	1.6
160.05190	0.6
161.04652	0.5
161.06058	1.4
165.05559	23.6
166.05884	0.5
175.07698	0.5
178.06422	0.6
179.05685	0.9
179.07127	7.6
193.00209	0.4
204.21196	0.5
209.08177	0.8
212.15883	0.5
223.09686	1.3
223.80544	0.5
246.73227	0.4
285.11496	0.5
313.14423	1.3
315.12393	2.1
331.15289	0.6
346.14197	11.2
361.16547	100.0
362.16925	5.9
420.60501	0.5
479.17630	1.9
508.86682	0.5
523.20355	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01075	0.2
59.01376	3.6
61.98829	100.0
65.34932	0.1
69.67388	0.2
69.67799	0.5
71.01375	1.0
71.90246	0.1
72.73466	0.1
73.02972	0.2
74.01813	0.1
75.00881	0.3
78.95937	0.1
83.01392	0.2
85.02974	0.4
89.02454	0.4
95.01411	0.1
98.19903	0.2
101.02475	0.7
110.86544	0.2
113.02467	0.5
119.03517	0.2
161.04472	0.2
223.13448	0.4
224.13780	0.5
225.13965	0.3
226.14313	0.2
249.09010	0.1
253.09259	0.7
287.22275	3.4
360.28867	0.2
373.22241	0.3
415.23450	0.2
500.59787	0.1
521.33386	0.5
522.33630	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1763
Annotation	Xanthorrone
Peak:m/z	Relative Intensity
57.81542	0.6
58.16869	0.7
70.74491	0.9
70.74825	1.2
71.01376	1.5
78.95901	70.9
99.92579	17.5
100.92635	0.7
100.93372	1.7
110.98527	11.2
115.92074	27.6
116.92148	0.8
116.92854	14.6
132.87335	0.5
150.97978	1.7
155.95226	1.4
163.89743	1.1
164.99615	1.8
178.65494	0.6
178.88419	15.1
179.89211	34.4
180.90027	10.1
181.90813	1.4
193.90764	37.4
194.87885	2.5
194.91580	20.7
195.92036	0.7
196.89479	43.0
197.89493	1.4
204.16879	0.6
210.91177	0.7
218.91463	1.5
219.92201	1.1
226.90582	0.7
234.93570	0.7
235.91978	0.7
236.92563	1.7
248.92578	3.4
249.93295	4.6
250.94182	1.3
255.23286	4.1
266.93741	2.8
343.93222	0.7
355.15625	1.7
371.15222	0.9
411.18469	5.0
454.90320	0.6
475.15829	1.0
505.16132	1.4
523.17645	100.0
524.17743	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	521.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69487	0.3
53.90981	0.3
55.01867	2.3
57.03447	2.1
58.00579	1.0
59.01377	14.4
61.98825	2.5
63.99163	0.3
67.57538	0.3
69.03438	0.4
69.66982	0.8
69.67399	1.0
71.01377	19.8
71.05011	0.5
72.99306	1.2
73.02937	7.3
75.00853	0.6
81.03466	0.3
83.01381	3.7
83.40340	0.3
85.02947	11.1
86.00098	0.4
87.00874	1.8
89.02433	3.9
95.01376	2.1
97.02948	0.7
97.06563	0.4
98.20626	0.6
99.00866	3.1
101.02433	18.6
111.00878	3.3
113.02444	7.1
119.03473	1.7
121.10207	1.7
123.08143	0.5
125.02406	0.6
129.01901	1.0
132.05266	0.3
141.01889	0.5
141.09232	0.4
141.12823	1.4
143.03452	1.1
159.02979	2.2
161.04552	2.9
171.13892	3.2
179.05580	0.5
183.13867	0.7
187.13406	0.7
199.13327	0.4
200.14075	0.3
201.14931	5.6
216.44301	0.3
241.50586	0.3
299.26086	0.5
333.19214	1.7
341.26947	0.5
346.69443	0.4
359.27963	10.0
362.19568	0.4
363.20166	2.8
373.22375	0.6
461.31567	0.5
467.30063	0.4
491.32178	0.7
503.32153	0.8
519.31421	0.3
521.33252	100.0
522.33563	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	522.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25053	1.4
53.70047	1.5
59.01379	24.4
60.01682	1.7
61.98829	100.0
70.82243	4.0
71.01379	8.7
73.02957	2.6
75.00865	3.5
83.01421	1.5
85.02445	1.6
85.02940	5.9
87.00882	1.8
89.02430	2.2
99.00871	3.5
101.02447	2.6
106.31541	1.7
113.02417	7.1
149.32253	1.7
164.07143	1.9
165.12810	2.8
183.13890	20.0
193.80124	1.5
227.12907	1.9
415.19565	8.9
459.12320	1.9
459.18735	29.6
522.26312	3.8
522.33331	3.5
523.12030	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.1
61.98819	0.7
71.53426	0.4
96.39204	0.4
96.39864	0.4
98.19919	0.4
106.04274	0.4
109.02937	0.4
111.00944	0.5
114.71246	0.4
117.03474	1.3
119.05029	3.1
121.02946	1.1
126.65983	0.4
132.02170	1.0
133.02954	19.8
134.03746	8.7
135.04521	37.5
136.04837	0.6
137.02441	5.0
139.04005	1.8
145.02945	5.4
149.02425	0.5
161.02435	79.1
162.02776	1.5
163.03983	2.5
178.02721	1.1
179.03500	17.5
183.45947	0.4
187.21149	0.3
194.74760	0.4
221.18927	0.4
235.06119	1.3
267.19736	0.7
283.19324	0.7
285.20691	6.3
293.21268	0.7
361.23749	1.0
385.23788	0.6
429.22781	32.4
430.23291	1.6
447.23849	13.4
448.23907	0.6
521.27527	100.0
522.27820	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	521.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.5
61.98817	2.7
71.44327	0.7
72.98629	0.7
93.03492	0.7
117.03461	9.2
119.05022	28.3
121.02957	4.4
130.92845	0.6
133.02956	14.1
134.03760	4.8
135.04515	22.7
137.02414	3.4
139.03996	1.2
145.02943	44.6
146.03256	1.0
161.02437	47.0
162.02872	1.0
163.04007	25.2
164.04300	0.8
171.89316	0.7
178.02632	1.0
179.03484	10.2
221.19063	5.3
265.18076	2.1
283.19113	4.0
285.20798	3.7
301.20224	4.4
357.06082	1.6
361.23947	1.3
375.23917	2.7
429.22745	20.8
430.23230	1.9
447.23801	14.1
521.27527	100.0
522.27850	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	521.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91690	0.9
59.01348	2.3
61.98825	6.3
69.34227	1.0
71.53507	0.9
71.53910	1.2
78.95901	23.7
90.93488	1.0
96.96941	2.2
103.57467	1.1
132.65433	1.0
133.02896	2.2
134.03693	1.2
135.04504	3.8
152.99574	37.4
161.02419	9.1
171.00644	3.1
179.03413	1.2
185.62785	1.1
195.13889	13.2
200.27721	1.2
205.12268	1.4
211.13229	1.3
223.13391	6.1
227.03203	3.8
234.31081	1.0
256.13055	1.5
256.54144	1.2
275.20029	4.1
293.21225	47.5
294.21555	2.3
429.22583	4.2
521.25195	100.0
522.25452	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	521.2025
Annotation	(2S,3R)-Dihydrodehydrodiconiferyl alcohol beta-D-glucoside
Peak:m/z	Relative Intensity
59.01377	7.9
59.01612	0.8
66.29270	0.6
69.25289	6.5
71.01373	7.4
73.02950	1.2
85.02968	2.7
89.02451	4.5
101.02461	1.1
108.64608	0.7
109.02969	0.9
113.02479	2.4
120.72713	0.7
121.02972	3.2
122.03764	0.9
123.00906	0.8
124.01676	1.3
134.03729	1.4
137.02431	1.0
143.05026	0.9
147.04539	1.4
149.02426	1.6
149.06067	1.1
150.03258	4.7
158.03732	2.2
159.04503	8.3
160.05290	23.7
161.04634	1.6
161.06085	6.8
163.03999	3.7
164.04759	4.5
165.05511	0.8
172.05342	0.7
173.06123	3.2
175.07628	22.4
175.09058	1.5
177.05569	5.5
178.02782	1.2
178.06323	10.2
179.10771	0.8
181.05075	1.0
187.07581	1.0
192.07915	2.1
193.05045	1.3
193.08618	3.6
195.40460	0.7
223.09880	1.2
249.94421	0.8
265.30481	0.7
271.06073	0.8
274.56232	0.8
297.07697	0.9
311.09402	0.8
314.11746	0.8
325.10977	1.1
326.07950	1.3
329.13913	100.0
330.14163	4.5
341.10089	4.5
341.49567	1.0
343.11908	1.2
356.12744	1.4
359.11209	4.5
359.14859	3.9
371.15085	2.9
374.13571	7.2
389.12393	1.4
389.16187	15.4
521.20123	30.2
522.20453	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.2
57.03419	0.8
59.01378	7.1
60.12440	0.5
66.64771	0.4
70.04684	1.3
70.05101	1.2
71.01374	6.1
72.99274	0.5
73.02914	2.2
75.00842	1.2
83.01372	1.0
85.02918	2.3
87.00849	1.1
89.02441	2.4
93.03430	0.9
93.24240	0.4
95.01368	0.7
98.20591	0.7
99.00842	1.0
101.02435	4.4
108.02226	0.5
109.02909	2.2
113.02412	2.0
119.03506	1.1
121.02947	3.1
122.03723	1.2
123.00849	0.7
123.04502	0.9
124.01574	0.8
125.02409	0.9
134.03696	1.4
135.02907	0.6
135.04547	0.8
136.05241	1.4
137.02359	1.4
137.06085	0.6
143.05031	0.8
147.04500	1.5
149.02417	2.4
150.03212	7.3
150.09795	0.5
150.54884	0.6
152.03455	0.9
158.03691	1.8
159.04492	8.6
160.05296	23.5
161.04575	1.1
161.06004	6.9
163.03961	5.6
163.95183	0.7
164.04770	4.7
165.05508	1.3
173.06027	4.5
175.07628	24.2
176.04765	0.8
177.05534	6.3
178.02559	0.6
178.06332	8.4
189.05528	0.8
191.07103	1.0
192.07906	1.2
193.05067	2.6
193.08681	2.7
195.06630	0.7
197.06181	0.6
203.07034	0.5
233.06044	0.5
241.05003	1.0
255.06732	0.5
258.60199	0.5
268.63046	0.5
299.09320	1.3
313.10831	1.2
314.11420	0.8
327.08679	1.3
328.09122	1.6
329.13901	100.0
330.14212	4.7
341.10123	0.9
344.12579	5.1
350.11163	0.5
359.14966	17.8
360.15228	1.0
394.50595	0.5
406.65195	0.5
477.23517	0.6
481.63745	0.7
521.20276	21.9
522.20819	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2024
Annotation	Woorenoside XI
Peak:m/z	Relative Intensity
59.01368	1.1
69.37025	1.6
69.37442	0.7
71.01382	2.7
71.04063	0.3
73.02935	0.5
75.00871	0.5
79.55680	0.3
83.01411	0.3
85.02943	1.0
89.02431	0.4
93.03506	0.4
101.02439	1.1
108.02164	0.5
109.02946	12.2
113.02441	0.5
115.00277	0.3
123.04526	1.2
125.02473	0.4
132.98573	0.3
132.99538	0.3
159.04491	5.6
161.04529	1.2
173.06064	4.6
175.02313	0.3
189.05534	4.5
190.06395	0.7
191.07101	3.0
195.05080	1.0
197.06032	0.5
203.07130	2.0
205.08652	0.7
213.05534	0.8
225.05495	0.7
240.04231	1.6
241.05038	10.2
242.05389	0.4
242.10062	0.3
251.07195	0.5
255.06609	7.3
256.07343	0.7
265.08801	0.8
267.06653	0.9
269.08194	2.3
281.08136	1.0
283.09698	0.6
295.09698	0.5
298.08618	1.0
299.09213	7.8
311.09415	0.4
313.10825	9.6
314.11282	0.9
327.12393	1.0
329.10294	4.7
343.11954	2.5
344.12601	32.7
345.12973	1.7
359.14984	100.0
360.15265	4.7
521.12494	0.5
521.19580	2.7
521.26282	1.0
535.16492	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.5
71.01379	3.8
71.05006	1.0
71.52177	0.6
72.99305	2.5
73.02950	2.0
74.25797	0.6
75.00868	26.1
81.03452	1.7
85.02947	2.7
87.00877	3.1
89.02444	2.7
99.00878	1.8
99.04536	0.7
101.02443	0.9
105.01942	1.1
106.94874	0.9
123.95900	0.7
131.03479	1.2
143.03500	4.5
157.04419	0.6
161.04523	5.8
161.55923	0.6
165.04076	1.2
179.05600	100.0
180.05927	0.9
181.39505	0.6
243.79095	0.7
283.00604	0.7
296.57925	0.6
341.10916	1.9
383.95496	0.7
547.42218	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2027
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
51.05761	0.6
55.01858	0.9
57.03423	2.5
58.00579	1.7
59.01381	33.5
59.20321	0.6
61.98815	1.3
69.75750	1.3
69.76141	2.8
71.01382	23.6
71.15242	0.7
72.99303	1.1
73.02946	3.4
75.00855	1.7
83.01381	1.6
85.02959	8.0
87.00855	1.3
89.02443	15.9
90.01028	0.7
95.01424	0.7
96.96023	0.7
99.00847	1.3
101.02467	4.3
108.02126	0.9
109.02898	0.9
113.02459	3.7
119.03507	1.7
121.02934	2.4
123.00885	0.6
123.04494	0.7
124.01647	3.1
125.02383	1.3
129.01857	0.8
131.03506	1.3
131.19180	0.6
134.03719	3.0
137.02441	1.3
138.03224	1.0
139.04016	4.1
149.04494	1.5
149.05998	0.8
150.03189	2.7
151.04007	1.2
153.05536	1.4
158.64148	0.7
159.04488	1.2
160.05176	0.9
161.04532	1.3
165.05519	3.6
172.05289	2.6
173.06059	2.4
178.02707	1.4
187.07620	2.7
189.05594	1.5
190.06277	1.0
193.04999	6.1
195.06631	1.8
203.07117	1.4
216.70523	0.8
253.05052	2.3
255.06569	0.9
256.03720	2.1
259.09225	0.8
267.06967	1.0
268.03574	1.1
271.06079	3.4
279.06595	1.0
283.06058	2.6
295.06213	3.3
296.06903	1.8
297.07587	1.1
298.08228	1.8
309.07825	1.6
310.08392	1.9
311.09027	3.3
313.07080	1.2
325.10782	3.9
326.07889	3.0
326.11359	1.3
328.09360	2.4
329.10162	1.7
329.13907	5.2
341.10211	11.2
341.14078	0.9
343.11777	5.2
344.08917	1.9
356.12686	6.6
359.11285	16.9
359.15424	1.4
360.11469	0.9
371.14969	10.2
374.09070	1.4
374.13651	21.0
375.13803	1.7
389.16071	64.8
390.16397	2.8
459.12628	0.8
477.23303	1.6
504.12793	0.8
506.17627	1.3
521.20209	100.0
522.20532	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	521.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.0
59.01379	4.0
61.98824	0.8
69.03493	0.5
69.77660	2.5
71.01374	2.1
72.99302	1.7
73.02932	0.8
75.00870	0.9
76.70345	0.5
83.01414	0.5
85.02945	1.6
87.00854	0.7
88.66335	0.4
88.98820	0.5
89.02433	1.7
93.03433	0.5
95.01386	0.5
98.19933	0.5
99.00878	1.0
101.02435	0.8
108.02168	46.7
109.02957	10.8
113.02462	1.0
115.18702	0.5
121.02951	25.6
122.03291	0.6
123.00892	0.8
123.04540	0.5
125.02434	0.9
127.16261	0.5
134.03748	0.5
135.04575	0.7
151.03963	0.6
152.01149	100.0
153.01869	3.3
163.03937	2.5
165.01979	0.6
177.01878	0.8
179.03429	0.8
181.12370	1.4
192.96701	0.4
201.32816	0.5
207.02982	0.7
207.10178	2.2
225.11322	8.5
239.86647	0.5
243.02815	0.5
255.03075	0.6
271.02631	0.7
273.03067	0.6
284.03198	3.1
299.02133	0.9
299.05478	5.2
300.02615	0.7
301.02649	1.6
315.04910	1.1
316.05182	1.9
317.05649	1.9
353.91333	0.5
399.09274	31.3
400.09479	2.0
461.20239	4.4
478.19644	0.7
521.12933	80.8
521.33313	2.1
522.13312	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	520.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51098	2.2
51.79546	2.3
57.10920	2.3
59.01380	20.9
61.98828	100.0
62.82864	2.2
64.88275	2.3
72.81461	2.3
78.95897	16.6
84.79295	2.0
121.02946	3.5
152.99562	28.2
257.16510	2.5
279.23380	2.3
283.67664	2.4
297.24234	8.2
339.25357	13.8
361.42453	2.3
433.23538	6.7
440.08356	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26196	0.4
56.35421	0.4
57.97600	0.4
59.01371	2.8
59.12596	0.4
59.22166	0.4
61.98827	17.0
61.99124	0.6
69.63652	2.9
73.02921	1.1
83.01350	0.9
85.02888	0.5
85.06147	0.5
89.02406	1.5
98.20735	0.6
99.45536	0.4
101.02401	1.7
101.12115	0.5
113.02406	0.6
119.11008	0.4
132.38115	0.4
151.00267	0.5
161.04578	0.5
255.02994	3.7
256.03693	1.6
283.02469	1.6
284.03232	76.2
285.03571	2.7
297.03970	1.3
299.05573	100.0
300.05963	3.9
341.06635	1.2
371.15030	1.1
461.11029	0.5
510.18124	0.6
521.33337	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59269	0.3
57.03452	0.6
58.00558	0.4
59.01377	23.5
60.01706	0.7
61.98827	100.0
63.37244	0.3
71.01381	8.0
71.13979	0.7
71.14346	0.5
72.99325	0.7
73.02942	7.6
73.40983	0.3
75.00870	0.6
80.76262	0.4
83.01389	2.7
85.02954	2.7
88.98811	0.7
89.02436	2.2
94.03790	0.4
97.52831	0.4
99.00898	0.6
99.04502	0.5
100.04807	0.4
101.02441	9.7
108.02166	0.5
113.02459	4.4
119.03494	1.3
125.02464	0.8
131.03479	0.9
143.03482	1.0
149.04514	1.9
152.01187	0.9
155.03477	0.4
161.04550	2.9
196.83453	0.3
213.03653	0.4
221.06651	0.9
276.13617	0.4
316.05286	0.4
497.01917	0.4
519.32043	0.7
520.32318	3.0
520.65100	0.5
521.26556	2.3
521.32672	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	520.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64756	0.5
55.49051	0.5
58.60871	0.5
59.01389	0.6
61.98830	3.3
65.92210	0.5
71.53170	0.9
78.95903	44.6
85.65395	0.5
92.37155	0.5
96.96960	6.0
100.01252	0.4
143.50905	0.5
150.97986	1.3
152.99580	100.0
171.00600	3.6
279.23337	0.9
304.58267	0.5
433.23581	28.1
434.23947	1.2
520.26575	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50686	0.6
55.01851	0.8
57.03437	1.6
59.01378	30.0
61.98824	5.0
69.03449	1.7
71.01379	9.6
71.05038	1.0
72.99306	1.2
73.02943	2.6
75.00846	1.4
83.01389	1.3
85.02943	4.4
86.31033	0.6
87.00870	1.2
89.02444	6.3
95.01383	1.1
98.10625	0.7
99.00892	0.9
101.02442	7.9
113.02479	4.3
115.97231	0.6
119.03510	2.3
121.02962	1.3
131.03563	0.9
142.91460	0.8
161.04568	2.7
167.10777	3.1
179.05623	1.2
179.14391	2.9
195.13901	9.5
201.40057	0.7
205.12328	9.3
223.13382	100.0
224.13695	2.7
235.08086	0.9
253.09250	17.2
315.04517	0.8
315.12302	0.7
357.26361	7.0
377.09695	0.8
440.76984	0.7
459.22327	15.7
459.28732	0.8
460.23083	1.1
475.25705	0.9
477.30890	0.9
519.24182	2.8
519.31720	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	519.3175
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.01881	2.3
57.03452	3.5
58.00586	1.0
59.01379	33.7
61.98584	0.4
61.98832	4.4
69.03454	0.6
71.01382	24.3
71.53263	0.5
71.53653	0.5
72.99302	2.0
73.02943	8.9
75.00865	1.0
83.01379	5.0
85.02950	13.6
86.00099	0.9
87.00874	2.1
87.04480	0.7
89.02443	7.0
93.07091	1.2
95.01366	2.5
97.02957	0.6
97.06565	1.1
99.00884	3.2
101.02443	19.3
102.67250	0.4
111.00871	3.1
113.02439	9.9
116.92870	1.0
119.03518	4.0
121.02955	1.3
121.10214	0.8
122.03687	0.7
123.08105	0.4
123.15877	0.5
125.02443	1.0
125.09708	0.8
129.01955	1.0
131.03535	0.4
135.02902	0.5
135.04538	1.5
141.12877	0.9
143.03473	1.1
151.11330	0.5
159.02979	1.2
161.04529	3.4
171.13918	1.2
179.05583	1.5
185.11774	0.7
187.13358	0.5
200.14166	1.0
201.15027	0.9
225.03828	0.4
226.22279	0.5
227.16510	2.0
229.18037	1.7
255.03133	0.4
271.09793	4.0
321.24133	0.7
339.25253	0.5
357.26428	10.1
358.27002	0.6
361.18723	1.2
362.19485	5.3
389.21814	5.9
390.22485	1.7
391.23566	2.3
394.18481	0.5
399.23764	0.9
417.24908	0.9
441.28641	0.8
442.85571	0.5
459.29507	1.9
475.25436	0.6
481.53543	0.5
483.29767	0.9
489.30688	1.1
501.30661	1.6
519.31720	100.0
520.32098	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.187
Annotation	Pinoresinol O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.47806	0.6
57.51122	0.5
59.01375	8.7
63.31920	0.6
71.01380	5.5
73.02955	1.5
75.00867	0.7
85.02959	3.0
87.00903	1.0
89.02450	1.7
93.03449	1.4
99.00883	0.9
101.02438	2.5
108.02121	0.9
109.02954	1.0
113.02443	2.9
121.02965	4.3
122.03739	3.3
124.01768	0.5
130.01311	0.6
134.03711	1.3
136.01662	74.2
137.02411	2.6
151.04004	100.0
152.04358	2.2
155.37367	0.6
159.04532	0.7
160.05193	0.6
160.60693	0.6
161.04552	2.9
161.22025	0.6
162.03270	0.7
163.04007	1.4
168.49214	0.6
175.07690	1.4
177.04080	1.3
177.05489	1.0
178.22423	0.6
198.83115	0.7
295.27484	0.7
299.02106	0.7
311.13245	0.9
342.10999	5.5
357.13416	93.6
358.13861	4.1
459.25143	0.7
519.20050	3.1
519.31946	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	16.5
61.98805	0.7
65.08768	0.6
69.03452	1.6
69.76092	3.5
71.01376	4.2
71.05018	1.0
73.02948	1.2
83.01366	0.7
85.02942	1.1
89.02422	2.9
101.02437	4.6
106.75037	0.6
109.02924	0.8
113.02453	2.5
119.03471	1.1
122.50430	0.6
135.04515	0.9
161.04597	1.3
161.13268	0.7
162.98302	0.6
167.10764	1.9
179.10748	1.3
179.14377	2.5
195.13898	9.3
205.12292	8.5
223.13373	100.0
224.13739	2.8
235.08325	1.1
253.09267	16.0
271.09689	5.1
275.43210	0.7
346.62723	0.7
459.22275	13.6
519.32184	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
59.01377	7.6
61.98835	0.9
71.01378	5.2
71.52967	0.6
72.99331	2.3
73.02969	2.2
75.00866	33.3
80.64879	0.5
83.01390	1.2
84.02164	12.7
85.02956	2.8
87.00885	2.1
89.02418	1.1
93.03447	16.0
93.04009	0.9
96.99298	3.3
97.02979	0.9
99.00868	0.8
99.04511	8.1
100.27695	0.6
101.02431	3.3
103.04031	1.0
109.21751	0.6
113.02481	2.4
115.00323	0.8
117.03488	1.6
119.05019	28.0
120.05394	0.8
121.02987	2.0
123.04501	1.2
125.02438	1.5
128.90245	0.5
129.01950	1.0
130.04254	0.6
131.05037	3.1
133.02954	2.9
133.05064	1.4
143.03444	0.9
143.03827	1.1
143.05019	15.0
143.06093	0.9
145.02939	4.1
145.06581	1.5
147.04446	0.6
150.03230	0.8
152.03537	0.9
159.04497	0.8
161.04515	1.0
161.13451	0.7
163.03998	17.4
165.05632	0.8
171.04510	1.9
191.05598	23.2
195.06575	0.6
209.06641	44.3
210.06839	1.2
211.07640	7.4
219.08096	0.9
221.09694	1.0
222.06921	0.7
223.07660	6.7
235.07678	2.6
237.09187	10.5
238.09732	0.6
239.10811	2.1
253.08606	1.1
253.14476	3.8
265.08682	16.6
266.09012	1.0
267.07199	0.6
283.09796	4.2
309.07651	4.9
327.08701	100.0
328.09097	4.7
337.09097	1.0
355.10318	3.1
357.09674	1.3
439.13730	0.9
475.16125	3.8
475.21893	0.8
519.14954	31.1
519.20953	1.5
520.15094	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35584	0.5
54.71985	0.5
57.03440	0.5
59.01379	5.5
61.91095	0.5
71.01371	3.5
71.98291	0.5
72.99299	1.6
73.02937	2.1
75.00869	18.5
76.36960	0.5
83.01386	0.7
84.02159	7.5
84.27849	0.5
85.02942	1.1
87.00874	1.0
89.02428	0.6
93.02868	1.1
93.03455	14.1
96.99296	2.6
97.02975	0.6
98.19831	0.8
99.04506	3.5
101.02430	2.1
103.03961	0.5
108.02112	0.5
113.02446	1.0
117.03487	0.6
119.05020	16.3
123.04480	1.0
125.02431	2.3
130.04269	0.6
131.05023	3.0
133.02943	2.0
135.04465	0.7
143.05022	13.2
145.02972	3.7
145.06592	1.6
152.03520	0.9
163.04001	10.9
171.04486	2.0
187.02513	1.2
191.05594	14.2
209.06642	21.3
210.06900	0.9
211.07637	6.6
221.09665	0.7
223.07593	2.7
235.07594	2.4
237.09172	6.4
239.10704	0.8
253.08754	0.7
253.14359	2.9
265.08667	17.1
267.07318	1.0
283.09680	1.7
309.07541	3.7
309.44928	0.6
327.08710	100.0
328.09113	3.9
349.44247	0.6
355.10364	1.7
357.09653	1.2
475.16089	2.3
475.22177	0.8
519.14990	19.3
519.21466	1.4
520.15424	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.114
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
51.77999	0.3
52.34317	0.4
59.01361	1.1
64.23214	0.3
65.00326	0.9
69.39033	3.1
71.01357	0.6
73.31816	0.4
83.01385	0.6
90.76583	0.4
98.20673	0.8
102.95258	0.4
107.01362	1.4
109.96486	0.4
113.02374	0.3
139.05568	0.4
143.04994	0.8
145.02931	1.0
151.00334	5.5
155.05037	0.6
159.04460	0.5
161.02463	0.4
163.00337	0.6
171.04509	1.1
183.04439	2.2
187.03993	1.4
189.01985	0.5
199.03979	7.8
201.01891	0.5
203.03534	0.6
205.03455	0.4
211.03917	0.8
213.01993	0.4
215.03459	2.7
218.16345	0.4
226.02632	0.8
227.03462	7.3
228.03966	0.6
242.02184	2.1
243.02953	25.9
244.03577	2.0
254.02225	0.9
255.02965	17.1
256.03485	1.1
257.04593	1.7
259.06042	0.6
270.01761	1.8
271.02451	40.5
272.03174	3.8
285.04077	3.1
285.06946	0.6
286.04688	1.4
287.05511	1.3
299.01935	71.3
300.02679	29.3
301.02979	1.4
314.04291	54.0
315.05060	100.0
316.05322	4.8
357.06088	0.9
373.49957	0.4
456.44724	0.4
519.11383	49.6
520.11682	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	518.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62344	0.4
59.01368	1.7
61.98833	14.1
67.76874	0.6
71.53540	0.5
78.95904	45.4
96.96963	5.8
107.29951	0.4
150.98022	1.8
152.99585	100.0
153.99858	1.0
171.00644	4.2
277.21646	0.6
347.25851	0.5
358.24646	0.5
369.87186	0.5
372.36893	0.5
431.22015	27.4
432.22299	1.5
518.25317	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	518.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.6
61.98827	100.0
70.21262	0.6
71.53434	0.9
78.95901	0.9
107.70084	0.7
119.49337	0.7
145.19270	0.6
152.99622	1.0
262.99506	0.8
291.19687	1.0
446.73526	0.7
519.24036	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93766	0.7
54.63573	0.7
57.03448	8.2
59.01377	5.0
61.98819	2.4
69.03446	1.3
69.92493	2.1
69.92911	1.5
70.03014	0.9
71.01382	2.7
72.00904	8.7
74.02474	17.1
75.00872	1.0
75.07605	1.0
80.05046	0.8
81.03460	2.2
83.01390	1.1
84.04558	2.2
85.02948	3.7
85.04104	0.9
86.02485	1.1
89.02434	1.9
90.59675	0.7
96.04523	0.9
96.96028	1.4
97.02959	3.3
98.02470	2.4
98.19908	0.8
101.02421	4.4
104.03536	100.0
105.03864	0.9
108.04517	1.3
113.02419	1.3
116.03532	1.7
119.04235	0.8
119.05022	2.9
120.05375	2.0
124.04058	6.2
124.07667	6.1
125.02448	11.5
126.05605	2.5
138.05620	6.5
146.04579	6.5
150.05595	13.1
158.04605	0.7
161.29485	0.8
163.03976	2.6
164.03387	1.3
164.04587	1.0
168.06654	26.1
169.07002	0.8
170.04541	1.2
181.08722	0.8
182.04587	3.6
186.07719	13.5
188.05641	19.8
194.04594	4.3
200.05643	2.0
212.05623	40.1
213.05846	0.9
230.06676	47.9
231.06859	1.0
265.85840	0.8
294.76025	0.7
327.08762	2.0
356.13239	1.0
427.40994	0.9
518.15265	19.7
519.15961	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.8
57.03447	3.9
59.01378	24.7
61.98832	0.9
62.14804	0.4
67.01867	0.6
68.99814	1.0
69.03450	1.1
69.44991	2.8
71.01382	18.3
71.01781	0.9
71.15315	0.3
72.99304	3.3
73.02939	1.5
75.00872	11.3
80.51316	0.4
80.91688	1.3
81.03465	0.5
83.01379	1.0
83.05026	0.5
85.02948	19.6
85.03470	0.9
87.00877	7.6
89.02451	5.0
91.03990	0.8
91.92698	0.4
93.03444	0.5
95.01397	3.2
97.02948	0.7
99.00883	6.7
99.04498	1.1
101.02443	1.5
103.00397	2.5
107.05003	0.5
111.00830	0.7
112.01638	0.7
113.02450	26.8
115.00346	1.0
117.01936	1.8
117.03433	0.6
119.05000	1.0
125.02493	0.7
129.01930	1.6
131.03493	0.9
134.03697	0.5
135.04411	0.5
137.82428	0.4
145.02953	2.2
149.04604	0.5
157.01390	1.1
161.09698	1.5
161.13324	1.9
163.03973	1.3
163.11246	0.9
169.01152	0.5
175.02472	1.6
179.10764	0.5
187.11264	1.7
189.09171	1.1
195.05077	0.8
205.07181	0.6
205.12401	2.1
207.05075	1.5
207.10208	0.9
223.13387	1.2
231.05092	0.6
249.03462	0.6
249.06125	12.5
249.11360	0.6
267.07199	50.3
268.07526	1.2
269.04565	2.1
341.15976	1.0
406.86459	0.4
412.27240	0.6
424.65012	0.4
455.19272	1.3
457.17236	2.0
458.12042	0.5
473.20490	0.9
499.18359	1.7
499.53830	0.4
517.19232	100.0
518.19647	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	517.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.7
57.03446	3.5
59.01377	23.6
61.98804	0.6
67.01888	0.7
68.99812	1.3
69.03452	1.3
71.01378	18.8
71.05025	0.5
72.99303	3.6
73.02931	1.3
75.00471	0.8
75.00871	12.5
80.53934	0.5
81.03472	0.6
83.01382	1.3
83.05019	1.1
85.02950	22.2
85.78889	0.5
87.00872	9.4
89.02439	6.1
91.03993	1.4
93.03425	0.6
95.01389	4.2
97.02969	0.7
99.00877	8.5
99.04537	0.8
101.02445	1.2
103.00366	2.0
105.01953	0.5
107.04976	0.6
111.00865	0.6
112.01641	0.9
113.02447	28.0
115.00343	1.9
117.01930	1.7
119.04993	0.8
120.05803	0.6
129.01930	1.9
129.49329	0.6
135.11844	0.6
149.04503	1.1
157.01353	0.6
161.09698	1.6
161.13341	1.9
163.03917	0.5
163.11252	1.0
165.91966	0.5
175.02438	1.7
187.11282	2.2
189.09230	0.7
205.07234	0.8
205.12386	0.9
207.05107	1.8
207.10207	0.8
221.71017	0.5
223.13420	1.1
231.05035	1.0
241.80103	0.6
249.06148	12.6
267.07196	60.0
268.07523	1.4
302.75677	0.5
341.15991	1.0
455.19299	1.2
457.16867	1.7
499.18051	1.7
517.19226	100.0
518.19427	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97248	0.8
55.31752	0.9
57.70517	0.7
59.01376	6.0
70.01135	3.1
71.01376	3.7
71.37742	0.8
72.99274	1.4
75.00868	26.3
84.02161	24.7
85.02948	2.2
87.00871	1.8
89.02418	1.8
93.03465	1.6
96.79198	0.8
97.02934	1.6
98.20641	1.2
99.04509	8.0
113.02428	1.9
117.03455	1.9
117.57115	0.8
119.05017	100.0
120.05343	2.7
127.19154	0.7
134.03731	1.5
136.64110	0.8
145.02950	8.4
148.69719	1.0
149.04477	1.2
149.06030	1.5
163.03996	99.6
164.04329	2.8
177.54601	0.8
191.05595	43.3
193.04962	1.1
209.06618	10.0
222.08014	0.8
222.10951	0.9
279.08884	1.0
325.09180	5.7
337.09277	5.1
355.10312	6.2
371.11847	9.3
431.13641	0.8
441.34238	1.0
517.15546	71.4
518.15961	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	517.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	14.6
60.95335	0.5
62.69698	0.5
63.22030	0.5
64.22832	0.5
67.54146	0.5
70.57838	1.8
71.01382	2.0
72.99308	1.0
73.02942	1.3
85.02950	2.1
89.02467	0.6
95.01395	1.1
96.96017	2.4
108.02173	47.8
109.02955	12.3
113.02431	0.9
117.05570	14.3
124.38001	0.5
127.04035	1.2
135.04572	0.9
151.03992	1.1
152.01149	100.0
153.01917	3.4
163.03969	1.6
175.68993	0.5
179.03430	0.7
179.91196	0.5
201.34486	0.5
206.35623	0.5
209.11830	0.6
241.07149	1.0
267.04990	0.8
285.06204	1.7
297.60220	0.5
305.18283	0.6
335.84039	0.6
339.92963	0.6
399.09311	24.1
400.09677	1.2
417.10385	9.4
418.10501	0.6
455.19775	0.6
459.11444	10.8
459.17502	1.2
469.04382	0.7
499.14536	6.5
517.15582	89.7
518.16083	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	517.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.4
67.10148	0.6
69.45724	5.1
70.72710	0.6
71.01376	2.5
72.99316	1.2
73.02939	1.4
75.00871	9.9
84.02163	16.9
85.02949	3.9
87.00894	0.8
89.02435	2.1
93.03412	0.8
95.01413	0.9
96.95998	1.9
97.02948	1.0
99.00876	1.2
99.04509	8.1
104.86460	0.8
113.02442	2.9
119.05021	99.0
120.05370	2.0
134.03745	3.6
137.02370	0.7
145.02933	2.4
149.04588	3.4
149.06062	2.0
152.01241	0.9
163.04001	100.0
164.04321	2.4
179.07201	1.1
191.05620	9.4
193.03441	1.7
193.05037	1.9
209.06627	8.0
233.57292	0.9
247.39528	0.7
299.96301	0.8
325.09250	8.0
337.09286	3.4
351.25067	0.7
355.10144	2.7
371.12051	1.1
404.10660	0.7
468.85513	0.7
517.15527	43.0
518.15717	1.4
540.24036	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1559
Annotation	4'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
50.31173	0.7
57.03435	0.8
59.01379	10.1
61.98817	1.4
71.01373	5.3
71.48085	0.7
72.99301	2.5
73.02958	0.8
75.00871	33.7
79.01866	0.7
83.01330	0.8
84.02164	13.7
85.02956	3.3
87.00866	2.6
89.02422	1.6
96.95991	2.4
99.00871	1.2
99.04507	5.9
101.02448	1.7
108.02171	12.0
109.02995	3.7
113.02430	2.6
113.14828	0.9
117.01953	0.7
117.03455	2.1
117.05562	3.1
119.05025	52.9
120.05341	1.3
124.91615	0.7
125.02407	0.8
131.03459	0.8
134.03719	6.4
137.02463	0.9
145.02950	22.5
146.08194	1.1
149.06096	2.7
152.01149	25.8
153.01854	2.3
163.04002	38.6
164.04468	0.9
175.03958	1.1
179.07127	1.1
191.05598	35.5
193.05109	3.6
209.04764	1.1
209.06648	13.6
249.06107	2.8
267.08713	1.2
275.09232	0.8
279.08740	1.1
320.09369	0.8
337.09253	16.7
355.10315	7.0
359.20120	0.8
371.11957	1.2
399.09290	5.8
417.10260	1.3
459.11502	1.5
481.13245	2.2
499.14523	1.5
517.15570	100.0
518.16003	6.4
518.25751	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00705	2.8
59.01377	21.7
61.92996	2.7
61.98817	11.7
63.62638	3.0
68.69623	2.8
69.44292	21.1
71.01359	5.1
91.05505	4.8
98.20555	6.2
108.02153	4.5
109.02940	28.8
109.06581	4.9
113.02410	2.6
121.02968	6.8
121.96209	3.2
123.04478	7.5
127.13150	2.7
134.03662	4.3
135.04510	37.9
139.97084	2.6
147.04507	8.2
149.06111	6.8
154.40347	2.6
176.55240	2.8
183.14001	6.5
189.51450	3.3
199.07710	2.8
207.10323	6.6
211.13380	100.0
225.11296	3.6
229.08519	2.9
271.09744	88.2
395.14658	3.8
515.28339	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	515.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
74.41551	1.0
76.02551	1.1
85.78121	1.1
92.44459	1.3
104.41441	1.2
125.48128	1.1
128.92903	1.0
163.11287	32.9
175.11322	1.4
176.11916	1.1
177.12808	3.4
208.10991	4.3
279.23163	1.2
281.15482	1.6
282.16220	4.2
283.17050	5.8
339.23245	100.0
340.23621	7.0
351.23285	7.3
475.05490	1.5
515.35266	79.7
516.35535	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	515.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81234	1.4
57.01756	1.5
57.03447	38.8
59.01369	17.1
61.98824	7.3
71.01347	1.4
71.53244	2.1
71.53662	1.4
72.26167	1.6
72.99305	2.2
81.03455	18.1
83.01416	1.5
84.71577	1.5
85.02945	5.2
96.96006	6.6
97.02909	2.1
99.04505	9.9
101.02450	9.0
113.02419	2.8
115.00945	1.6
115.04021	3.2
125.02472	2.2
133.05087	2.1
135.45554	1.7
137.02438	2.1
150.03154	2.9
151.00345	12.2
151.03999	3.2
163.03984	1.9
165.05556	5.4
166.02701	42.6
167.03174	1.8
175.03960	2.9
177.05580	2.5
178.06310	3.3
181.03450	2.9
181.05055	60.0
187.71831	1.6
190.06302	3.3
193.05049	28.7
195.06694	1.9
205.08681	3.4
208.07391	53.9
211.07634	2.9
223.09732	100.0
224.10094	3.6
234.41441	1.7
253.10744	3.9
267.07135	1.8
271.09805	3.5
279.08878	1.8
371.13470	24.5
413.14499	54.8
414.14853	3.0
453.17639	43.0
454.17752	3.0
455.15308	3.9
471.18823	2.0
515.17670	99.7
516.17926	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	515.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
57.03437	2.6
58.95861	1.7
59.01382	28.5
59.43724	1.6
61.83897	1.6
67.01868	1.6
69.83096	6.0
71.01012	2.5
71.01379	25.1
73.02946	21.0
83.01357	2.9
83.05019	8.0
85.02937	12.2
85.35992	1.6
87.00873	2.6
87.94983	1.8
88.03992	1.8
89.02448	25.1
93.03460	50.3
99.00892	9.5
99.04502	6.6
101.02438	12.4
111.04525	21.6
113.02448	17.1
119.03510	11.0
129.01929	4.8
129.07047	1.7
137.02437	16.8
142.99876	2.5
143.03477	6.9
151.06114	6.1
155.03513	13.8
161.04573	3.4
171.07759	3.4
173.00948	2.7
173.04536	100.0
173.09319	9.0
174.07738	3.7
179.05582	13.1
179.30937	1.7
191.05602	4.3
215.79573	1.9
220.47064	1.8
288.17514	1.7
329.35760	1.9
341.10855	76.6
342.11160	3.4
405.87451	1.9
488.19049	2.0
515.16113	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	515.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78103	0.9
57.03429	1.2
58.00582	1.8
58.02959	4.2
59.01376	34.4
62.39311	1.0
63.56772	1.1
70.65026	2.1
70.65372	1.8
71.01375	26.5
71.48993	1.2
72.99306	2.0
73.02948	15.4
75.00864	2.0
81.03435	1.9
83.05029	6.2
85.02946	8.1
87.00856	2.4
88.04033	1.7
89.02439	32.1
93.03453	41.0
93.96474	1.0
95.01373	1.9
99.00867	7.7
99.04520	5.2
101.02438	15.3
109.02961	1.1
111.04517	25.4
112.98784	4.1
113.02430	12.4
119.03471	10.3
120.99141	1.3
121.28431	1.0
125.02440	1.9
129.01894	3.7
129.05496	1.9
129.88226	1.0
130.05043	1.6
131.03461	2.8
131.08226	1.7
137.02448	12.1
142.36108	1.1
142.99841	5.2
143.03499	6.2
150.61563	1.1
155.03514	16.6
155.58601	1.1
161.04559	3.9
171.07649	1.2
172.06107	3.0
173.00845	3.5
173.04536	100.0
173.09288	8.4
174.04970	1.0
174.07680	7.9
179.04204	1.1
179.05618	16.3
191.05608	4.6
209.06622	2.2
216.38536	1.1
286.00909	1.1
323.13367	5.0
341.10849	95.8
342.11145	3.7
503.88589	1.2
515.15894	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	515.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54568	1.4
58.00585	2.6
58.02977	2.5
59.01377	43.1
62.03572	1.3
62.66601	1.4
69.38230	3.9
69.38638	5.4
71.01377	31.5
72.99301	2.9
73.02942	6.8
77.48611	1.2
85.02939	6.0
87.00861	3.9
89.01878	2.0
89.02438	40.2
93.03444	13.7
95.01409	2.0
96.96005	4.5
99.00861	5.1
99.04510	1.9
101.02436	16.4
110.45255	1.7
111.00899	2.3
111.04501	6.8
112.98829	7.8
113.02474	10.3
115.00331	1.6
119.03485	14.1
124.99592	1.6
128.44989	1.3
129.01871	1.6
131.03464	2.8
137.02426	5.6
139.05042	1.3
142.99820	6.8
143.03450	4.9
145.01407	2.2
155.03462	5.3
161.04565	4.1
172.52078	1.4
173.00876	6.3
173.04549	29.8
173.09309	5.1
179.05598	19.5
191.05502	1.6
323.13394	1.6
341.10861	100.0
383.97418	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.2
57.03454	0.1
58.00604	0.3
59.01375	5.7
61.98840	0.1
69.03440	0.1
70.66547	0.1
71.01379	4.5
72.99292	0.4
73.02941	1.0
75.00839	0.1
83.01389	0.4
83.05028	0.2
85.02946	1.0
87.00870	0.6
89.02444	3.8
91.04004	0.1
95.01393	0.4
97.02959	0.2
99.00882	0.3
101.02440	4.7
103.04037	0.1
111.00899	0.1
112.01659	0.1
113.02449	2.2
115.04017	0.1
119.03493	1.0
119.87050	0.1
125.02464	0.2
127.07652	0.3
131.03494	0.2
133.05113	0.3
143.03503	0.4
149.04532	0.1
157.05136	0.1
161.04559	1.6
179.05600	0.6
195.50880	0.1
205.19551	0.1
206.36685	0.1
225.40312	0.1
233.22752	0.4
235.08203	1.2
253.09276	16.1
254.09665	0.4
259.20538	0.3
275.20029	0.3
277.21701	100.0
278.22040	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	514.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.3
61.98828	100.0
62.98518	0.1
69.88853	0.3
69.89246	0.2
100.70589	0.1
106.03040	0.1
119.04975	0.1
122.98681	0.1
145.02927	0.2
188.09198	0.1
221.33391	0.1
221.62601	0.1
234.23860	0.1
316.23550	0.1
324.96994	0.1
453.33237	0.1
454.33810	0.3
514.32788	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
57.03447	0.1
57.82557	0.1
58.00600	0.2
59.01377	5.9
61.98852	0.1
65.41730	0.1
69.03479	0.1
69.17651	0.6
71.01379	4.4
72.99304	0.2
73.02940	0.8
83.01383	0.5
83.05024	0.1
85.02946	1.1
85.85876	0.1
87.00864	0.5
89.02440	3.1
91.04018	0.2
95.01392	0.3
97.02954	0.1
99.00887	0.2
101.02441	3.9
103.04012	0.1
113.02443	1.9
115.04013	0.1
119.03491	0.8
125.02393	0.1
127.03936	0.1
127.07655	0.2
129.02010	0.1
131.03494	0.2
133.05083	0.3
143.03499	0.4
145.05121	0.1
157.05095	0.2
161.04539	1.7
179.05614	0.6
205.19644	0.1
233.22740	0.3
235.08188	1.1
253.09268	14.9
254.09641	0.4
259.20624	0.3
275.19986	0.3
277.21701	100.0
278.22037	4.2
293.43866	0.1
462.76511	0.1
481.21329	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	513.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41067	0.5
57.03442	2.0
59.01373	11.6
61.64145	0.4
61.98832	2.5
67.01888	0.8
68.99816	1.2
69.03451	1.2
71.01376	12.6
71.54066	0.8
72.99290	2.8
73.02930	1.4
75.00862	10.3
81.03449	1.0
81.90575	0.5
83.01371	0.9
85.02944	13.0
85.03465	0.6
87.00867	4.1
89.02438	3.9
94.98110	0.6
95.01387	3.2
95.01921	0.5
96.96024	0.7
97.02931	0.8
99.00869	5.0
99.88688	0.5
100.21854	0.4
101.02440	1.4
103.00378	1.1
107.43065	0.5
109.02931	1.1
110.62778	0.5
111.00881	1.1
111.04510	1.2
113.02442	16.4
115.00382	1.3
117.01926	1.5
118.24569	0.5
125.02387	0.7
125.06051	1.0
129.01915	1.3
136.05269	1.2
137.09717	0.7
148.05339	0.6
149.04369	0.5
151.07616	1.2
153.09097	0.5
157.01463	0.9
161.09689	0.7
163.07637	1.1
166.06161	0.6
174.97141	0.6
175.02455	1.5
185.09647	0.6
189.04015	0.6
201.12856	5.3
203.10756	2.5
204.11540	8.5
207.05121	0.7
219.13881	11.4
223.08177	0.5
231.05052	1.6
245.11819	2.1
249.06126	22.2
250.06522	0.5
263.12891	6.8
264.92804	0.6
267.07199	19.2
285.03162	0.7
469.20779	1.8
495.18555	0.9
513.19733	100.0
514.19958	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	513.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27300	0.4
55.01864	0.4
57.03425	1.5
58.00560	0.5
59.01375	8.5
61.98824	0.6
65.41776	0.5
65.47074	0.4
67.01862	0.7
68.99821	1.1
69.03462	0.9
71.01009	0.8
71.01378	10.9
71.53934	0.8
72.99275	2.9
73.02944	1.3
75.00871	9.5
81.03455	0.6
83.01379	1.1
85.02946	11.2
87.00872	3.0
89.02431	2.8
91.04005	0.5
93.03465	0.8
94.98096	0.6
95.01390	2.5
97.02943	0.9
99.00872	4.6
101.02445	0.9
103.00380	1.2
109.02932	0.7
111.00866	0.5
111.04516	1.0
113.02444	15.2
115.00356	0.8
117.01942	1.3
125.02457	1.6
125.06123	1.1
129.01913	1.1
135.08194	0.6
136.05290	1.1
139.07715	0.7
148.05321	0.6
151.07593	1.3
152.08423	0.9
163.07639	1.0
170.05717	0.5
175.02513	1.1
189.03951	0.7
201.12843	5.0
203.10777	1.9
204.11534	7.7
207.05171	0.5
219.13890	11.4
220.82922	0.5
230.09540	0.6
231.05038	0.9
245.11790	1.7
249.06129	19.5
263.12866	6.6
267.04294	1.0
267.07175	17.8
276.68716	0.5
311.90784	0.5
315.05258	0.5
469.20657	1.4
495.18610	0.8
513.19720	100.0
514.20160	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	513.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.7
61.98833	0.6
65.03959	0.7
71.01376	0.5
79.95728	5.5
80.96574	0.4
85.02965	0.4
91.05534	1.4
93.03458	0.6
95.01341	0.3
96.02171	0.6
96.96014	4.1
98.19936	0.7
101.02460	0.4
101.92316	0.3
108.02175	0.9
109.02953	11.6
109.03704	0.6
121.02959	30.8
122.03760	10.5
123.04542	3.6
134.03745	2.9
135.04527	21.3
136.04945	0.4
147.04533	2.9
149.06065	7.2
157.16953	0.3
197.06087	0.6
212.08473	0.6
214.06276	0.7
229.01735	1.0
229.08630	0.8
238.06340	0.8
241.05072	0.6
253.08633	0.8
256.07315	2.0
271.09735	88.6
272.10077	4.1
350.04575	0.5
351.05420	0.6
386.06760	0.3
433.14905	0.4
513.10663	100.0
514.10901	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	513.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56934	0.8
55.01865	1.1
57.03438	4.2
59.01074	1.4
59.01377	40.8
67.01885	4.5
71.01378	59.8
71.51183	1.2
72.42097	0.9
72.99301	1.6
73.02952	8.4
80.81716	0.9
83.01379	4.8
84.02170	1.1
85.02948	37.8
86.00083	0.9
86.03287	1.0
87.00877	7.2
89.02440	1.7
95.01391	5.3
96.96002	4.7
97.02938	1.3
99.00866	3.1
101.02435	9.5
103.90520	0.9
109.68568	1.0
111.00896	6.0
113.02444	47.4
115.00368	1.0
119.64171	1.1
124.69997	0.9
125.02399	1.0
129.01923	3.6
131.03496	13.6
139.00348	2.9
139.05103	1.3
143.03497	1.1
157.01390	3.0
171.07747	3.4
172.06189	1.6
173.04562	3.6
189.04001	3.5
191.05688	2.0
201.04028	4.2
207.05257	1.2
215.05769	1.2
245.06696	3.5
305.08762	2.3
317.08701	6.0
321.08234	4.6
341.83817	0.9
372.88873	1.2
375.09256	1.4
381.10248	4.6
393.10291	3.0
411.11337	1.5
421.10248	1.3
435.11569	6.6
453.12463	25.2
454.13052	1.2
462.39111	1.0
471.13666	2.7
513.14563	100.0
514.14923	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	512.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.8
61.59764	0.3
61.98828	100.0
69.38455	2.2
97.00336	0.3
102.70604	0.3
131.51894	0.3
278.18741	0.3
512.19727	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	512.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38163	0.2
59.01374	1.6
61.98828	100.0
62.48341	0.2
64.37820	0.2
69.35525	0.6
69.35952	1.0
71.01402	0.3
73.02967	0.2
85.02972	0.2
88.98840	0.3
101.02451	0.3
108.02166	0.3
120.79408	0.2
148.36928	0.2
152.01056	0.2
160.55205	0.2
210.37262	0.2
288.22546	0.2
290.23016	0.2
302.51175	0.2
334.10828	0.3
449.27701	0.6
460.73727	0.2
467.70959	0.2
512.17377	0.5
519.89624	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.3
61.98828	100.0
70.53645	0.3
70.53980	0.4
71.01387	0.2
77.04154	0.2
85.02934	0.3
98.20647	0.4
101.02438	0.3
113.02430	0.2
129.21103	0.2
134.90738	0.2
142.40013	0.2
152.01152	0.3
287.22311	0.4
290.23218	0.3
334.10922	0.4
449.27661	0.6
512.17206	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65425	0.9
57.03448	4.4
59.01366	2.5
61.98828	14.2
65.00322	1.1
71.01372	1.9
73.02927	1.3
73.55622	0.8
74.46375	0.8
75.00860	3.2
81.03457	1.1
83.01366	2.8
85.02914	1.3
86.48581	1.0
91.48076	0.8
93.03438	2.5
96.96017	1.0
101.02422	1.8
101.65845	1.0
107.01376	1.6
107.05020	1.2
119.05069	1.1
121.02988	1.5
125.02444	47.3
137.02452	1.5
139.03996	1.2
143.05006	0.8
149.02455	5.0
151.00375	11.0
152.01077	3.0
153.01997	4.3
156.56367	0.8
157.06380	1.0
159.10292	1.4
165.01901	4.2
167.03488	1.3
173.06046	2.5
177.05524	1.1
178.99892	8.1
179.03470	2.1
197.06044	1.1
201.05556	1.2
215.07088	3.0
225.05527	2.9
241.05013	1.7
243.06537	4.4
259.06088	47.4
260.06314	1.7
269.04520	43.2
270.04785	1.6
287.05576	23.8
288.06110	1.1
367.14505	1.0
421.91296	1.0
425.25696	1.1
431.09921	1.3
449.10858	100.0
450.11139	6.4
480.12265	0.9
512.29095	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.5
61.98829	3.5
71.01395	1.0
71.53799	1.3
80.02667	2.1
81.03453	1.9
83.05012	5.8
84.02135	0.9
93.03461	0.8
95.05026	1.6
97.06569	1.7
105.84101	0.6
109.06592	0.9
125.06075	0.7
125.09725	2.6
135.08182	0.7
149.09645	0.9
163.11317	4.7
165.12859	2.5
171.10262	27.7
176.07755	0.7
185.11809	2.0
191.10791	1.7
209.11816	100.0
210.12161	2.8
223.13449	1.3
227.12871	10.1
231.13953	0.7
237.14923	0.9
247.13376	9.0
265.14444	2.6
282.09213	0.7
284.03305	1.0
285.03763	4.8
286.04373	5.6
301.75580	0.7
321.17120	0.9
373.08783	0.8
375.21448	1.2
391.24771	0.7
401.23181	1.0
431.24402	1.0
437.25275	0.8
448.09726	6.7
449.25296	3.4
475.26987	3.9
493.27914	2.3
511.13156	1.0
511.29041	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.8
61.98828	100.0
62.24860	0.2
64.56751	0.2
70.67950	0.6
71.01375	0.4
88.98811	0.6
90.16281	0.2
113.02470	0.2
164.27231	0.2
167.12611	0.2
180.06624	0.4
211.13345	0.6
212.13795	0.5
213.13965	0.3
214.14247	0.2
284.03290	0.6
285.04016	1.8
344.53812	0.2
348.18967	0.2
447.09293	2.3
450.28201	0.2
510.23642	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72718	1.1
57.03436	4.6
57.43187	1.1
59.01378	29.7
60.62161	1.3
61.98834	18.1
69.03445	1.7
71.01379	12.2
71.49544	2.3
73.02945	6.0
75.65301	1.3
80.96511	1.8
83.01386	4.3
83.04996	1.5
85.02939	5.2
87.00906	1.5
89.02435	2.9
93.03422	1.3
95.01384	4.9
97.02979	1.9
97.06553	2.1
99.00854	2.6
101.02438	8.1
108.02182	2.2
109.02924	3.3
109.69682	1.2
111.00890	2.8
111.08194	7.1
113.02431	8.5
121.02928	3.7
123.00883	94.8
124.01662	94.7
125.02483	10.7
137.02449	2.8
137.99648	1.5
138.03224	34.2
139.00386	2.5
139.04015	60.4
140.04340	1.3
149.02419	2.1
150.03267	1.3
151.04021	2.6
153.02042	1.9
158.25853	1.2
159.02853	1.2
161.04570	9.7
165.12836	57.4
166.02673	1.7
166.13026	1.1
168.04289	1.4
181.03606	1.2
181.05066	4.2
181.12393	1.3
183.13890	35.5
189.12772	1.5
191.11070	1.5
193.05067	1.8
197.15378	1.7
200.01189	3.3
206.19939	1.4
207.13863	4.3
209.11873	6.3
221.15538	3.9
225.15041	1.5
227.12881	21.3
229.44568	1.2
231.13904	2.8
233.11803	4.6
249.14851	2.6
251.12894	7.2
265.14444	4.6
269.13968	3.6
275.12894	5.3
284.03305	1.5
285.03830	2.8
286.04370	5.0
293.13928	25.3
301.09271	31.4
311.14761	1.7
371.17209	6.6
387.08627	3.4
401.10147	2.5
441.86319	1.6
446.61349	1.6
448.09775	6.3
493.20972	1.5
511.14307	6.3
511.21826	100.0
512.22058	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	510.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.0
61.98828	57.6
65.64027	0.5
67.06499	0.5
71.01364	1.8
73.02915	0.5
75.00844	0.9
83.01402	0.5
85.02945	1.2
88.75550	0.5
89.02453	0.6
98.20777	1.0
99.34432	0.5
101.02427	1.1
107.01337	0.6
121.02889	0.7
133.02928	4.9
149.02417	1.0
151.00363	3.1
175.02518	0.7
175.03973	1.8
177.04233	0.5
199.04039	1.2
217.04936	0.7
243.02849	0.5
284.03229	2.7
285.04019	100.0
286.04309	4.4
300.02905	0.6
391.26825	1.4
447.09293	21.1
448.09686	1.2
449.27777	0.8
466.19617	1.0
509.29605	1.7
510.29425	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99692	0.4
61.98828	6.2
67.66966	0.3
90.45417	0.3
93.71216	0.4
107.01428	0.7
121.02911	0.4
133.02942	2.5
134.03711	0.5
149.02335	0.4
151.00378	1.9
175.04013	1.2
183.21718	0.4
186.71254	0.4
199.03923	1.2
217.04860	0.4
224.41713	0.4
241.04980	0.6
256.03745	2.1
284.00024	0.8
284.03244	41.2
285.04007	89.8
286.04309	2.9
327.05084	1.0
447.09274	100.0
448.09674	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	510.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23809	0.7
57.03442	1.0
59.01383	5.4
61.98827	16.9
71.01366	2.8
72.99232	0.9
73.02946	5.0
75.00869	2.3
81.03448	1.5
83.01390	0.8
85.02084	0.8
85.02970	1.6
89.02432	1.1
98.19910	3.3
101.02415	1.0
104.03532	1.6
107.01385	1.4
109.02966	1.7
113.02441	1.4
121.02902	1.7
123.04478	1.0
125.29249	0.8
135.02977	1.4
136.80153	0.8
151.00356	8.9
163.00334	2.5
165.12776	0.8
178.99815	4.7
227.03461	2.8
230.06686	1.2
243.02924	4.9
245.04515	1.9
254.02158	1.7
255.02956	14.6
256.03656	1.2
258.89404	1.1
271.02463	27.4
272.02856	1.1
273.07117	0.9
284.03220	8.2
285.03976	15.1
287.09219	1.0
289.10785	9.0
300.02716	51.6
301.03491	36.7
302.03909	1.1
345.05899	1.3
347.06299	1.4
391.27051	2.9
392.27390	1.3
447.09265	100.0
448.09589	4.5
449.27444	2.6
509.29617	3.1
510.12088	3.4
510.19183	1.3
510.29462	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
59.01379	13.2
61.98818	3.2
66.13672	0.5
69.25387	4.6
71.01376	3.8
72.99288	0.6
73.02936	0.8
75.00840	0.5
85.02956	1.1
89.02430	3.5
96.96013	1.5
101.02444	4.1
112.01424	0.5
113.02444	1.9
115.12427	0.6
119.03521	0.7
119.09409	0.5
144.28119	0.5
150.03262	1.6
161.04510	1.3
165.05576	0.8
177.12961	0.6
183.12411	1.0
183.13898	11.0
195.13864	10.5
213.14948	100.0
214.15231	3.4
220.27461	0.5
253.09268	27.9
254.09854	0.6
273.17093	1.5
283.02649	1.0
284.65387	0.5
285.04105	1.2
287.92401	0.5
307.09494	0.5
312.95007	0.6
313.06973	0.8
447.09619	1.2
509.14502	1.3
509.21414	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34710	0.3
61.98819	0.4
71.28786	0.5
72.37415	0.3
78.95901	17.8
90.24234	0.3
96.96952	1.7
127.05934	0.3
150.98026	0.5
152.99582	30.7
153.99838	0.4
157.38782	0.3
164.62892	0.3
171.00600	1.4
173.16425	0.3
180.15474	0.3
189.18042	0.4
201.00641	0.3
227.03207	3.6
245.04253	0.7
274.46860	0.3
281.24838	100.0
282.25204	4.5
285.04086	0.4
290.38043	0.3
417.24069	0.9
447.09244	0.6
509.28815	63.8
510.29214	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	509.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	22.3
60.13398	0.7
61.98533	0.9
61.98830	8.4
66.48928	0.7
71.01380	6.2
71.53934	0.8
73.02945	1.2
75.00871	2.4
80.21701	0.7
85.02943	3.0
88.98798	1.6
89.02449	4.7
96.96004	6.3
99.00871	1.2
101.02445	5.6
113.02444	3.8
119.03490	0.8
122.03722	0.9
125.02381	0.7
131.33899	0.7
137.02448	1.3
143.03476	0.9
150.03226	2.7
153.55074	0.7
161.04547	2.5
163.07610	0.8
165.05568	2.6
177.12546	0.7
179.05603	0.9
183.13890	11.6
195.06583	0.9
195.13918	11.3
213.14949	100.0
214.15283	2.6
217.30824	0.7
249.10928	1.1
253.09267	29.8
255.02937	1.2
273.17065	9.1
283.02420	2.4
284.03140	1.2
285.04138	1.8
297.04114	1.2
298.04919	1.4
312.06293	1.1
313.07156	1.9
447.09470	2.8
449.27872	1.0
461.12180	1.3
509.14392	2.8
509.22382	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1698
Annotation	Marikarin
Peak:m/z	Relative Intensity
57.03426	0.5
59.01384	6.9
61.98829	25.9
62.80662	0.4
63.96237	1.1
64.78196	0.4
69.03436	0.5
71.01378	7.1
71.13482	0.5
72.99300	0.6
73.02940	1.2
75.00890	0.5
78.98594	4.6
79.95731	7.7
80.96516	52.8
83.01377	0.7
85.02958	3.3
87.00880	2.3
89.02457	0.6
92.49402	0.4
94.98085	13.5
96.96024	0.9
97.02945	1.4
99.00864	0.9
101.02422	3.4
106.98103	2.3
113.02462	1.1
119.05038	0.6
122.97614	2.4
125.01630	0.4
125.02414	2.7
127.04038	0.7
134.97572	3.5
136.99158	1.4
148.99159	5.1
152.98605	5.2
158.13652	0.5
164.98630	9.4
165.12863	0.9
183.13870	1.1
206.99690	2.6
207.55244	0.4
209.11940	0.6
225.00740	14.4
226.01003	0.4
234.76202	0.5
243.01875	0.4
268.19742	0.5
285.03949	1.2
287.22278	8.3
378.37277	0.5
378.42059	0.5
434.17191	1.1
447.09195	0.8
449.27594	0.6
478.16168	0.8
509.16946	100.0
510.17316	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	508.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44728	0.1
59.01373	0.5
61.98828	100.0
67.75104	0.1
69.38451	0.8
70.83149	0.1
74.15446	0.1
94.95897	0.1
95.28531	0.1
211.13431	0.5
269.03955	0.2
271.04413	0.1
283.06006	0.2
284.06494	0.3
285.06644	0.2
286.06863	0.2
303.97147	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16007	0.4
51.08011	0.4
55.01876	1.0
55.18254	0.4
57.03446	1.3
58.00589	0.5
59.01379	8.7
61.98828	100.0
62.07206	0.4
65.46321	0.4
71.01380	12.0
72.01714	0.5
72.99281	0.7
73.02946	4.5
78.36887	0.5
78.95893	0.5
81.90426	0.5
83.01388	2.9
84.26008	0.4
85.02947	7.1
86.00121	0.5
87.00872	0.5
89.02454	1.2
93.03464	1.2
95.01388	1.1
99.00903	2.2
101.02438	8.9
102.02785	0.7
111.00887	1.3
113.02447	4.6
125.02448	0.8
137.02429	1.3
159.02979	1.5
161.04555	3.2
197.06058	1.2
219.75700	0.4
231.44389	0.5
247.46553	0.4
269.04346	0.5
284.06406	0.7
285.06479	0.9
295.66821	0.4
299.25613	0.8
345.30087	1.5
346.30246	0.5
507.35367	28.5
508.35709	15.3
509.26074	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21059	0.2
55.01874	2.3
57.03445	2.9
58.00595	0.4
59.01381	12.9
61.98827	10.6
68.97170	0.3
68.99811	0.3
69.03430	0.7
71.01380	24.8
72.01697	0.4
72.99309	1.5
73.02943	10.0
75.00858	0.8
76.73959	0.3
83.01387	6.3
83.28070	0.3
84.02155	0.3
85.02949	15.5
86.00076	0.5
86.01752	0.3
87.00892	1.6
88.98779	0.5
89.02458	1.7
95.01377	2.2
97.02940	0.6
99.00887	3.9
101.02441	21.7
101.92410	0.3
104.34464	0.3
111.00880	3.8
113.02453	8.8
117.16747	0.3
117.69092	0.3
119.03522	0.3
125.02439	0.7
129.01950	1.3
141.01910	0.4
141.12860	0.3
143.03516	0.6
159.02980	2.2
161.04556	6.4
171.13882	0.5
179.05554	0.3
185.15417	0.6
213.18637	0.4
269.04138	0.4
279.23291	0.4
283.06177	0.6
284.06332	0.7
285.06631	1.2
299.25873	2.2
315.26620	0.3
345.30081	6.5
507.35352	100.0
508.35721	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	507.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
57.03448	2.8
58.00623	0.5
59.01378	100.0
60.01714	0.7
60.99306	1.0
61.98831	2.9
62.56252	0.4
67.01928	0.4
69.03461	0.6
69.49417	1.0
69.49833	1.4
69.83778	0.3
71.01381	19.3
72.99297	2.5
73.02943	5.4
75.00873	10.8
75.01300	0.4
83.01376	3.2
85.02946	17.8
86.00125	0.4
87.00877	3.8
88.98802	5.1
89.02451	2.5
91.20412	0.4
95.01385	2.2
96.96017	0.6
97.02957	0.5
98.20650	0.8
99.00874	5.5
99.04524	0.4
99.06514	0.3
101.02439	10.4
109.06625	0.4
111.00913	1.2
112.01686	0.5
113.02446	16.3
115.00362	0.7
116.92887	0.4
117.01937	0.4
119.03497	0.6
121.02950	0.4
125.02448	1.6
127.11301	0.3
129.01970	1.1
129.09253	0.7
134.03748	0.4
137.02469	0.5
143.03452	0.5
151.00372	0.4
157.01459	0.8
159.03026	1.4
160.01677	0.8
161.02060	0.4
161.04549	2.2
175.02501	1.7
175.04028	1.0
176.04359	0.4
181.62497	0.4
183.14024	0.8
217.58197	0.4
227.12933	0.8
243.19643	0.6
257.17682	0.4
285.20654	1.8
289.16684	0.6
301.20358	0.9
303.08710	0.9
303.22015	0.9
318.15182	0.3
318.61072	0.4
387.23807	0.6
389.25400	2.9
403.19635	0.7
405.25089	1.6
429.24997	1.1
447.25946	26.2
448.26514	1.4
465.26987	2.2
489.26712	2.5
507.13214	1.6
507.20996	39.1
507.28378	78.3
508.21259	3.0
508.28726	6.2
533.73590	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45150	0.3
58.21021	0.3
59.01367	0.9
61.98832	1.8
62.75559	0.4
63.17732	0.3
78.95897	7.7
91.13715	0.4
93.20760	0.4
96.96971	0.6
117.88185	0.3
152.99579	12.8
171.00626	1.1
181.51680	0.4
191.04736	0.4
227.03311	2.6
245.04239	1.9
261.22202	0.8
279.23273	100.0
280.23630	4.9
284.97253	0.3
507.27246	34.2
508.27478	1.9
528.53510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.3
58.00606	0.2
59.01378	14.7
60.01703	0.3
61.98827	3.4
69.03459	0.3
71.01378	3.0
71.54447	0.3
72.99304	0.3
73.02935	1.1
73.07967	0.2
75.00844	0.3
79.16953	0.2
79.73701	0.2
83.01379	0.5
85.02483	0.3
85.02931	1.4
85.19515	0.2
87.00863	0.5
88.98815	1.7
89.02428	2.1
95.01380	0.4
96.96007	0.4
101.02431	3.6
113.02435	1.8
116.29124	0.2
119.03490	0.8
125.02454	0.3
161.04546	1.2
165.12857	0.3
167.14362	0.3
167.49066	0.2
179.05655	0.5
183.13899	5.0
193.12363	1.4
211.13376	100.0
212.13718	2.6
223.11926	0.2
235.08167	0.8
253.09267	11.5
303.08673	0.2
330.86282	0.2
375.27689	0.5
387.23813	0.4
391.26843	0.5
403.26859	0.3
447.22305	5.7
448.23035	0.3
463.25323	0.3
507.27798	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44326	0.6
57.03456	0.8
57.04510	0.5
59.01378	100.0
71.01385	5.5
71.53651	0.8
72.99307	0.6
73.02952	1.9
75.00883	3.3
75.01241	0.5
83.01374	0.9
85.02945	5.6
87.00882	1.6
89.02444	3.3
95.01395	0.7
99.00893	1.8
101.02428	3.1
113.02452	5.7
113.59701	0.5
119.03530	1.2
122.06126	0.8
124.07668	1.2
131.03473	0.7
132.04558	8.9
133.05328	4.2
134.03757	1.2
134.06143	1.4
135.04477	0.6
136.17757	0.5
143.03511	0.8
149.02446	1.1
149.06117	0.7
150.03249	1.3
153.09232	0.6
161.04620	1.2
165.01921	0.5
165.04323	3.4
165.05605	1.6
175.02493	0.6
177.04335	1.0
178.05095	0.7
179.05710	0.8
193.05045	2.6
195.06679	0.8
209.03328	1.7
214.12381	1.0
215.11934	1.1
229.09953	0.6
233.25925	0.6
241.09926	1.3
243.16069	0.8
250.15935	0.6
257.12921	4.9
273.03864	0.6
282.09067	0.6
283.10754	2.5
301.11945	3.5
327.12891	0.6
341.10693	0.6
345.10870	33.7
346.11221	1.2
387.20251	3.8
389.13065	0.6
405.21396	1.8
413.15311	0.6
447.22409	5.5
456.29849	0.5
507.14603	0.8
507.21353	12.9
508.21637	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05376	2.7
51.32361	2.8
52.60440	3.0
54.30485	2.6
59.01376	28.7
61.98830	13.2
69.43036	3.0
69.94731	5.3
69.95145	11.0
71.01365	16.8
73.02974	4.3
85.02943	6.8
89.02459	8.9
99.03233	3.6
101.02435	21.7
102.10402	3.0
113.02454	11.2
117.03493	18.6
119.05006	33.8
121.02972	4.9
129.95068	2.8
132.97142	3.3
145.02943	100.0
159.97151	3.0
161.04527	5.4
163.04031	21.8
197.11815	22.5
211.13449	4.7
214.08566	2.8
227.13008	3.2
281.12781	3.3
287.22241	8.1
291.19547	5.3
309.20709	65.4
345.30008	8.6
415.24948	12.6
433.25870	20.9
507.12210	4.5
507.22110	4.9
507.23929	3.3
507.29495	83.6
507.35611	21.6
508.29547	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	507.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59214	0.2
55.01875	1.1
57.03448	3.5
57.03720	0.4
58.00592	0.5
59.01377	32.3
60.01703	0.3
60.99299	0.3
61.37930	0.2
61.98845	1.1
67.01878	0.3
68.99821	0.5
69.03456	0.7
69.42125	1.6
71.01379	21.2
72.47038	0.2
72.99300	4.0
73.02943	3.7
73.03313	0.4
75.00870	25.8
83.01382	2.3
84.02172	0.6
85.02946	24.2
86.00090	0.2
86.03320	0.3
87.00871	7.0
88.98810	0.7
89.02438	6.4
93.03439	0.3
95.01374	2.5
97.02941	0.7
99.00873	8.5
101.02433	5.9
103.00378	0.7
104.73098	0.2
109.02948	0.4
111.00895	0.6
112.01663	0.8
113.02446	26.5
114.02770	0.4
115.00380	1.7
116.01177	0.5
117.01989	1.3
119.03490	1.8
121.02943	0.5
123.04527	0.3
125.02452	0.9
129.01935	0.8
131.03523	0.9
143.03459	0.4
149.04614	0.3
157.00333	0.2
157.01338	1.1
161.04533	0.7
173.04532	1.6
175.02467	3.2
179.05637	0.4
181.58696	0.2
183.13901	0.5
187.28723	0.2
191.05693	0.4
193.03502	0.2
227.12889	0.4
285.07880	0.3
285.11429	0.2
289.16544	0.3
297.92886	0.2
301.10791	0.3
303.11795	0.5
339.07248	0.2
375.15646	0.2
375.20120	0.3
389.18109	0.5
389.25354	0.2
403.19647	2.3
421.20526	0.3
445.43243	0.2
447.18552	0.9
447.25406	0.5
453.22205	0.3
463.25616	0.5
465.20309	0.3
465.27139	0.4
489.20016	0.6
507.20789	100.0
508.21201	6.3
508.28775	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94472	0.6
59.01376	62.5
69.48358	4.2
71.01389	3.7
73.02944	1.1
75.00858	1.9
80.28440	0.6
85.02943	2.8
87.00868	1.0
89.02432	2.3
89.62457	0.6
93.64737	0.6
95.03767	0.9
101.02438	2.4
106.06622	1.3
113.02424	2.6
122.06112	1.3
124.07650	3.9
132.04544	18.4
133.05333	11.4
134.03691	0.8
134.06122	3.3
148.04086	0.8
150.05634	0.8
153.09164	0.6
165.04282	9.4
165.05539	0.9
170.40265	0.6
176.03462	1.3
177.04276	2.4
178.05099	1.5
178.38100	0.7
184.07620	0.7
185.08421	0.7
186.09200	1.5
188.07027	0.6
190.30917	0.7
193.05017	1.0
209.03285	3.6
209.75885	0.6
213.06673	1.4
214.12364	2.8
215.11847	3.6
226.07234	0.7
229.09885	1.7
240.10373	1.3
241.09761	2.2
243.15977	0.9
255.11421	0.8
257.12924	16.4
283.10901	8.1
292.85016	0.7
301.11945	9.4
345.10867	100.0
346.11200	4.3
387.20160	3.3
405.21149	1.1
447.22290	4.0
507.15244	9.7
507.22449	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43196	0.5
52.87370	0.4
53.91011	0.5
59.01379	38.8
69.60044	3.0
71.01380	5.0
73.02944	1.0
75.00867	3.4
82.52640	0.5
83.77814	0.5
85.02949	3.8
87.00874	1.2
89.02445	1.2
94.02979	0.6
98.20583	1.2
99.00866	0.6
101.02443	1.8
106.06620	2.1
113.02449	3.9
119.03528	0.5
121.02940	0.6
122.06119	1.0
124.07686	4.1
132.04555	20.7
133.05344	13.5
134.03769	0.8
134.06126	2.6
135.04498	0.7
142.10588	0.5
148.03947	0.9
150.03194	0.9
150.05582	1.3
165.04311	10.7
165.05571	1.1
176.03511	1.5
176.07033	0.9
177.04265	3.4
178.05106	1.0
186.09276	1.6
191.05916	0.5
193.05048	1.7
198.09253	0.5
209.03288	3.8
213.06671	0.7
214.12401	2.3
215.11807	4.1
227.08260	0.9
229.09827	2.2
240.10411	1.0
241.09860	2.5
257.12970	17.4
283.10916	7.7
283.13794	1.0
301.11911	10.0
314.69351	0.5
327.10007	1.5
345.10883	100.0
346.11163	5.0
387.20270	1.8
447.22412	2.1
471.40607	0.5
507.15860	7.4
507.21292	6.7
508.21451	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
64.58205	1.3
66.17570	1.3
71.15431	3.1
71.72194	1.5
97.83244	1.3
110.80643	1.7
155.94888	1.5
170.47542	1.7
185.02203	3.0
318.56134	1.5
506.21313	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	507.1138
Annotation	syringetin-3-O-glucoside
Peak:m/z	Relative Intensity
59.01359	0.9
64.88529	0.5
69.63805	3.6
111.81993	0.6
134.36159	0.5
151.00359	2.4
161.32323	0.6
185.02417	0.6
202.02736	0.9
213.01845	1.8
214.02689	0.6
229.01407	0.6
230.02133	2.7
241.01431	9.2
242.02176	20.0
243.02892	3.4
257.00897	1.8
257.04483	0.6
258.01657	18.9
259.02289	1.1
269.00897	3.2
270.01694	8.4
271.02414	2.1
272.03183	3.9
273.04025	24.9
274.04416	1.1
286.01126	13.1
287.01965	1.7
287.05597	7.0
299.01941	0.9
301.03519	18.7
302.03979	0.9
314.00482	0.9
315.01416	3.8
315.05063	3.3
316.05884	6.6
329.02966	11.5
330.03696	3.3
331.47745	0.6
344.05328	35.8
345.06012	10.1
351.33771	0.7
387.07034	0.6
471.38104	0.8
507.11371	100.0
508.11868	6.1
531.95239	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.5
59.01368	4.0
61.98817	2.3
65.76707	1.4
71.01370	11.2
71.05005	8.6
88.04034	85.8
93.04039	1.5
96.96022	2.7
99.04517	3.7
116.07222	1.8
146.08215	39.0
166.05063	2.4
218.10318	100.0
219.10709	1.9
229.28848	2.1
265.36108	1.5
266.21573	1.8
271.13522	1.7
279.47345	1.6
506.15051	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	506.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72875	1.8
56.83808	1.4
61.98830	100.0
66.28962	1.6
70.07430	5.4
77.57205	1.9
115.42126	1.4
130.16772	1.5
155.05171	1.4
210.81821	1.6
324.69232	1.7
451.95526	1.7
516.49927	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.9
57.03444	2.6
58.00588	0.9
59.01379	22.7
61.98829	2.0
69.03452	0.6
71.01379	30.8
71.53873	0.7
72.99298	1.7
73.02557	0.7
73.02945	11.7
75.00862	1.2
82.08586	0.3
83.01387	6.8
83.05025	0.4
83.67700	0.3
85.02947	17.9
85.27020	0.3
86.00098	0.6
87.00865	2.5
88.98798	1.3
89.02435	4.1
93.07079	0.8
95.01377	3.2
96.96071	0.3
97.02956	1.1
99.00870	5.1
101.02438	26.7
111.00861	4.2
113.02444	12.3
119.03508	2.0
121.10221	1.1
125.02434	1.1
125.22639	0.4
129.01927	1.2
131.03522	0.5
141.12846	0.4
143.03494	1.8
154.81949	0.4
157.12285	0.5
159.02977	3.8
159.90630	0.4
161.04556	9.4
171.13908	0.7
179.05534	0.7
185.15540	0.6
209.11819	11.7
213.18501	0.7
253.09302	1.5
268.03769	2.6
283.06140	5.4
284.06604	0.4
333.19156	0.5
343.28461	7.8
344.28922	0.4
347.20816	0.8
375.23743	1.8
445.32339	0.4
475.17953	0.5
475.32840	1.4
487.32913	0.7
503.31931	0.5
505.33835	100.0
506.34149	6.7
531.54547	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2803
Annotation	Mucronine A
Peak:m/z	Relative Intensity
51.51599	0.3
54.83647	0.3
59.01371	2.2
61.98800	0.4
69.21445	3.1
89.02443	0.5
89.42049	0.3
91.04026	0.8
98.20672	0.7
99.08136	0.4
107.99176	0.3
108.79570	0.3
117.03457	21.0
119.05022	29.9
120.05347	0.5
121.02943	3.0
123.04501	1.0
133.02931	0.8
134.03653	0.4
145.02946	100.0
146.03313	2.1
159.78244	0.3
162.03262	1.1
163.03999	23.1
168.42749	0.4
176.85985	0.3
214.90808	0.3
267.19653	1.8
271.22870	0.5
285.20679	8.6
331.75992	0.4
337.76285	0.4
345.24228	0.5
413.23306	13.9
414.23706	0.7
431.24326	14.0
432.24692	1.3
505.28006	75.8
506.28354	5.4
532.76813	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20376	0.4
59.01370	1.2
61.49356	0.4
63.01563	0.3
70.83342	1.0
71.01405	0.5
81.38777	0.4
91.04049	0.5
110.26938	0.4
117.03465	21.3
118.04276	0.5
119.05026	29.7
119.35831	0.4
120.05346	0.8
121.02960	3.3
123.04542	0.9
126.01979	0.4
133.02985	0.9
138.20425	0.4
145.02950	100.0
146.03281	2.4
162.03197	0.8
163.04010	21.9
164.04399	0.5
267.19626	1.5
285.20691	7.6
413.23312	14.3
431.24359	14.3
432.24664	0.9
443.57565	0.4
505.28061	73.3
506.28323	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	505.257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42238	0.5
55.73212	0.4
59.01367	2.0
61.98814	1.5
63.68213	0.5
69.48933	3.1
78.95901	26.3
96.96955	1.9
134.98572	0.5
137.49599	0.5
152.99577	44.2
153.99884	0.6
171.00597	1.9
195.85683	0.5
227.03226	6.2
245.04303	1.2
250.80220	0.4
259.20532	0.6
275.20050	0.6
277.21695	100.0
278.22000	4.6
314.69934	0.4
379.63913	0.5
413.20932	1.3
431.22165	0.6
463.77869	0.6
505.25696	81.5
506.26001	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	505.2571
Annotation	Amoritin
Peak:m/z	Relative Intensity
50.59221	0.4
59.01380	1.9
61.98861	0.6
70.74833	0.8
71.01411	0.5
78.95902	17.1
96.96999	1.0
98.20570	0.5
118.37657	0.4
143.01497	0.4
145.02965	0.5
152.99574	19.7
168.04356	0.7
171.00687	1.1
182.65685	0.4
214.68704	0.4
221.54091	0.4
224.06955	1.5
225.07170	0.9
227.03197	4.0
242.08037	0.5
245.04295	1.6
251.37817	0.6
251.40384	0.5
277.21710	100.0
278.22086	5.2
279.23297	8.3
280.23633	16.0
280.26733	0.9
505.25504	45.4
505.31317	4.0
506.25681	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39118	0.4
55.01872	0.7
55.83279	0.4
57.03436	0.6
58.50348	0.4
59.01379	15.8
61.98822	0.5
69.03452	0.4
70.02991	0.4
71.01385	4.4
71.53506	0.8
73.02943	1.0
83.01386	1.3
84.07925	0.4
85.02949	1.9
87.00872	0.5
89.02445	3.7
95.01361	0.5
99.00886	0.9
101.02438	4.9
113.02420	2.6
119.03497	1.8
125.02428	0.5
127.89659	0.4
161.04555	1.8
209.11818	100.0
210.12160	3.2
231.16811	0.4
235.08237	3.0
253.09261	11.5
268.03928	0.6
283.06168	1.7
309.75583	0.4
343.28442	1.0
445.20779	1.5
487.67300	0.4
505.33893	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	505.135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82199	0.3
57.03472	0.3
59.01378	31.0
61.98822	1.8
71.01379	4.1
71.53838	0.5
73.02936	0.9
74.02461	0.4
78.84844	0.3
83.01394	0.8
85.02948	1.9
89.02447	1.3
95.01405	0.6
96.21657	0.3
99.00925	0.4
101.02456	2.5
108.17126	0.3
113.02441	1.8
119.03516	0.8
132.02184	0.4
159.02914	0.4
161.04533	1.3
165.01927	2.7
183.13896	0.8
194.08154	0.5
195.04457	0.3
209.11819	4.5
210.71609	0.3
211.04012	0.9
223.04097	0.5
223.13457	0.5
224.04723	0.5
226.02765	0.4
235.88327	0.3
239.03488	3.3
240.04323	1.7
249.09218	0.4
253.09267	0.9
264.15274	0.3
267.02924	3.3
268.03748	35.9
269.04089	1.4
282.05359	3.2
283.06100	100.0
284.06464	4.0
323.82663	0.4
343.28503	0.5
445.11276	2.3
505.22305	1.0
505.34271	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	505.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.1
56.60295	1.0
57.03430	3.6
58.00584	1.2
59.01377	34.5
61.85968	0.8
61.98835	4.8
67.23681	0.9
68.99811	1.5
69.03432	1.4
69.29631	0.8
71.01379	35.9
71.54029	1.1
72.99294	4.9
73.02943	7.2
75.00870	9.0
78.95894	2.4
83.01376	4.0
85.02951	21.8
87.00871	5.8
89.02427	10.2
95.01364	5.4
99.00878	8.4
101.02433	19.3
109.22532	0.8
111.00896	2.1
113.01728	1.4
113.02445	21.4
115.00338	1.0
117.01932	1.2
119.03474	3.7
121.60223	1.0
129.01939	1.7
131.22568	0.9
143.03497	1.2
149.02463	1.1
150.03175	0.9
157.12340	1.8
159.02922	1.7
161.04517	8.9
165.12871	1.3
175.02448	1.8
179.05511	1.2
184.38306	0.9
193.15977	11.3
194.08211	2.0
209.11827	45.1
211.17027	56.2
212.17340	1.8
235.08214	1.5
237.14940	1.1
249.06085	8.4
253.09241	4.8
255.15921	3.9
267.07288	8.2
268.03784	7.2
283.06122	13.5
286.08359	0.9
301.10779	2.4
313.27280	1.1
329.19571	3.3
343.28494	8.3
375.23642	1.4
443.22650	4.7
445.20575	1.5
461.23688	0.9
487.21719	1.5
505.22794	100.0
505.33673	38.2
506.23584	6.7
506.33679	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	505.229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90763	0.6
55.01878	1.6
57.03436	0.9
59.01376	31.5
60.37801	0.6
61.98817	2.1
69.03434	0.6
71.01376	15.2
72.99306	1.4
73.02930	3.1
83.01365	1.8
85.02938	5.4
89.02438	10.3
95.01359	1.0
101.02435	11.4
111.08162	1.1
113.02453	6.7
119.03484	4.2
127.11273	0.8
134.03740	0.7
139.48819	0.6
143.03458	1.1
161.04544	4.4
165.12781	1.4
179.05574	3.1
209.11804	100.0
210.12144	2.9
235.08205	2.9
253.09268	9.7
268.03714	2.3
283.06094	4.7
300.03271	0.7
343.28455	3.7
404.03027	0.6
422.25586	0.8
445.20822	1.3
505.34045	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	505.0985
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
55.87073	0.2
57.03443	0.2
59.01379	1.3
63.02403	0.4
65.00311	1.0
71.01379	0.5
83.01388	0.8
85.02958	0.3
85.65321	0.1
89.02447	0.5
91.01906	0.4
93.03478	0.2
96.96043	0.2
98.19930	0.4
101.02450	0.2
107.01381	2.5
107.07129	0.2
108.02179	1.7
109.02969	1.3
111.00878	0.2
113.02430	0.2
113.52927	0.2
119.01428	0.3
119.04971	0.2
121.02934	2.0
124.01665	0.3
125.02392	0.4
135.00870	1.1
139.03969	0.2
145.02908	0.2
147.00885	0.2
148.01663	1.8
149.02406	0.4
149.04573	0.2
151.00365	10.6
152.01070	0.3
153.01936	0.2
159.04460	0.4
163.00339	2.8
163.04022	0.3
164.01173	1.0
165.01869	0.3
169.01488	0.3
171.04541	0.2
172.05260	0.2
178.99847	5.1
183.04498	0.5
187.04015	0.6
189.01918	0.2
190.99881	0.3
191.03215	0.2
191.05736	0.2
192.00598	0.3
193.01518	0.3
195.05064	0.5
198.03217	0.2
199.03938	1.0
200.04668	0.2
201.01970	0.2
201.05603	0.3
203.03487	0.5
211.03960	1.4
213.01936	0.2
215.03543	0.8
216.04259	0.4
226.02654	1.9
227.03479	3.8
228.04140	0.3
229.01495	0.2
229.05069	0.8
239.03493	0.4
243.02971	11.8
244.03510	0.6
245.04510	1.2
254.02173	2.2
255.02966	28.0
256.03360	1.4
257.04480	0.2
271.02454	58.7
272.02972	4.0
273.03888	1.2
273.72116	0.2
283.02441	1.2
283.05609	0.3
284.03046	0.2
299.01926	1.5
300.02719	100.0
301.03467	41.1
302.03796	1.6
343.04590	0.4
402.33514	0.2
445.24542	0.2
463.08728	3.0
472.89377	0.2
505.09830	74.7
506.10178	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	503.1765
Annotation	Coniferinoside
Peak:m/z	Relative Intensity
57.03452	4.8
59.01379	11.2
61.98816	1.8
68.99804	0.8
69.03452	1.0
71.01379	25.5
71.53225	0.7
72.01702	0.5
72.99309	4.5
73.02943	2.3
74.78008	0.5
75.00869	28.7
83.01397	3.1
85.02946	21.1
85.45045	0.5
87.00870	6.7
87.43974	0.5
89.02446	5.1
93.03455	1.6
95.01383	2.2
95.05007	1.0
96.96005	11.0
96.96951	0.8
97.02942	1.7
99.00267	1.1
99.00874	11.6
99.04542	0.5
101.02433	4.5
103.00370	1.0
106.04232	5.1
108.02171	1.6
109.02920	1.0
111.00864	0.6
113.02443	20.4
115.00348	1.8
115.79736	0.5
117.01931	2.2
119.03477	1.1
119.04981	3.1
121.02949	1.2
121.06611	2.8
123.04504	0.8
125.02462	3.8
129.01944	1.5
134.03772	0.7
135.02988	6.1
135.04485	1.0
139.00352	0.6
141.01941	1.1
143.03499	1.8
147.09773	0.5
149.02354	0.8
151.00333	0.8
152.01122	1.1
153.01909	1.0
157.01422	4.5
161.04561	2.9
163.04007	3.4
165.09196	59.5
166.09509	1.3
167.03494	0.6
173.04500	1.3
175.02472	3.5
175.03804	0.6
177.01845	0.7
177.04100	0.8
178.99800	0.7
179.03442	0.7
179.05684	1.2
179.07126	4.4
181.01373	0.7
182.95039	0.6
193.05070	1.2
203.05403	0.6
217.03551	2.2
232.78313	0.5
263.34021	0.6
275.05444	1.0
277.05600	4.6
285.04147	1.7
303.05130	4.5
303.08313	1.0
319.06592	0.9
337.07816	2.9
339.09183	1.1
341.12103	0.8
357.10300	7.6
370.52612	0.6
396.36288	0.7
459.11032	1.2
503.17734	100.0
504.17914	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	504.0007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86810	0.4
59.01376	25.4
60.01709	1.7
61.98825	100.0
67.02171	0.4
71.50951	0.4
71.51316	0.4
75.79325	0.4
78.60457	0.4
79.95017	0.4
95.40993	0.4
132.66464	0.4
159.03340	0.6
159.61714	0.4
174.99211	6.3
175.99567	1.3
197.32469	0.5
197.57251	0.4
201.02547	2.4
202.02724	3.8
203.02228	3.5
203.99959	6.3
204.01869	0.5
204.02733	1.1
217.00272	22.8
218.00607	7.3
219.00703	2.1
219.97731	54.2
220.99559	1.6
253.33260	0.5
359.01486	1.9
360.01630	7.7
361.01254	6.9
361.98672	30.6
362.99524	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22483	0.8
53.88315	0.7
55.56872	0.8
57.03447	4.2
59.01370	6.5
69.03452	1.2
69.73928	3.9
71.01383	9.5
72.99294	2.5
75.00872	26.3
75.55418	0.8
83.01383	1.1
84.02155	0.9
85.02946	9.1
87.00871	6.4
88.02168	0.8
89.02416	1.8
93.03429	0.9
97.02952	2.0
99.00874	4.3
101.02450	1.6
117.03429	1.5
119.05019	58.9
120.05341	1.9
129.01944	9.2
133.06526	1.3
138.65866	0.9
141.01927	1.7
145.02930	17.0
159.02925	1.5
161.06018	3.3
163.04001	48.6
163.32539	0.9
164.04367	1.0
177.04022	45.7
195.05077	7.4
205.05116	3.8
228.99348	0.8
243.11940	0.9
261.07645	1.1
305.06384	1.3
323.07666	18.0
325.09351	1.4
341.08707	5.9
467.12021	5.4
503.14044	100.0
504.14398	6.3
508.18353	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80898	0.8
55.01863	0.9
57.03438	3.5
59.01156	0.6
59.01379	6.8
62.32545	0.7
67.00615	0.7
70.89886	1.0
70.90196	0.9
71.01378	10.8
72.99300	2.9
75.00866	20.4
84.02184	1.1
85.02951	10.7
87.00880	6.7
89.02454	2.1
93.03502	1.1
96.96008	0.7
97.02922	0.9
99.00880	6.4
101.02451	1.7
113.02432	1.0
117.03500	0.8
118.09226	0.7
119.05022	63.1
120.05350	1.4
123.47033	0.8
129.01930	10.5
133.06566	1.0
141.01927	1.1
145.02951	5.5
159.02954	2.0
161.06035	0.9
163.03998	67.2
164.04317	1.4
170.94936	0.8
177.04030	51.9
195.05003	2.6
205.05005	2.3
274.29590	0.7
323.07675	7.4
325.09354	3.6
341.08804	4.2
357.10538	1.8
503.14032	100.0
504.14325	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	503.1196
Annotation	Rhamnocitrin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03448	1.1
59.01378	19.1
60.01701	1.0
61.98825	3.2
62.80130	0.5
65.00351	0.7
69.64337	3.2
71.01379	7.2
72.99316	0.7
73.02937	6.4
75.00880	1.0
81.03478	0.7
83.01389	2.2
85.02956	2.4
87.00853	0.9
89.02437	2.5
94.23832	0.7
96.06658	0.7
96.96037	0.7
99.04527	2.1
101.02453	4.6
107.01383	0.9
109.02958	0.6
113.02436	3.5
119.03500	0.8
119.05021	0.9
125.02405	1.7
133.02948	1.1
136.01660	1.1
139.74368	0.6
148.01781	0.9
149.04520	1.1
149.06059	1.4
151.00381	2.1
151.03970	1.8
159.51230	0.6
161.04543	2.8
163.03972	1.1
167.03467	0.9
183.71971	0.7
187.49168	0.6
211.03958	0.9
223.13339	0.9
227.03473	2.4
237.14888	3.4
239.03317	0.7
255.02972	89.2
255.10225	2.1
256.03488	5.0
265.08621	0.7
268.03839	0.6
269.04370	3.8
275.06943	1.6
281.17551	2.8
283.02463	58.7
284.03238	57.6
285.03857	6.7
291.09991	0.6
297.04068	12.1
298.04776	11.7
299.05579	61.9
300.05862	2.5
305.06793	0.7
313.03549	2.1
313.06992	0.7
327.08743	0.8
341.06476	1.8
341.10275	0.8
357.13675	1.3
416.97864	0.6
428.07837	0.7
443.09906	1.4
456.78632	0.7
459.09119	3.6
459.22491	0.8
467.13449	1.3
488.09576	19.7
503.11929	100.0
503.24185	3.0
503.32138	1.8
504.12241	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1193
Annotation	Rhamnocitrin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
55.01877	5.0
57.03455	5.4
58.00593	1.6
59.01380	43.1
61.98833	4.4
65.00346	0.7
69.03451	2.4
71.01379	50.3
71.53400	1.0
72.99319	3.0
73.02951	12.3
75.00877	2.2
81.03465	1.3
82.95435	0.9
83.01386	12.3
83.05037	2.7
84.02157	0.9
85.02950	30.6
85.03470	1.6
86.00103	1.0
87.00881	4.1
87.04530	1.4
87.15412	0.8
89.02448	18.9
95.01408	5.2
97.02950	2.4
99.00871	10.1
99.04546	0.9
101.02443	31.6
107.01385	1.0
111.00890	8.8
112.01682	1.2
113.02451	23.9
115.04010	1.9
115.97964	0.8
116.85567	0.8
117.03475	1.6
119.03497	5.2
119.04972	0.9
121.02938	4.7
121.10252	5.3
124.01688	0.8
125.02445	5.2
129.01950	2.5
131.03502	1.8
133.06606	2.3
134.03757	4.2
139.07681	1.1
141.01831	0.8
141.12872	4.3
143.03517	4.0
149.04555	2.4
151.00381	2.3
155.10747	1.0
157.12305	0.8
159.02997	3.5
159.04300	0.7
161.04561	13.5
161.06087	2.7
163.04073	0.8
169.12302	0.8
171.13876	4.6
179.05615	1.1
181.12340	1.8
183.04523	2.3
183.13907	1.0
187.02463	0.9
187.03992	1.3
187.13303	0.9
189.05563	3.0
191.05629	1.1
193.05080	3.1
199.13536	0.9
201.14946	12.6
205.03535	1.5
211.03951	4.7
226.02733	1.3
227.03496	5.4
233.04550	1.1
233.06631	1.2
236.77853	0.8
241.05016	3.1
254.02342	1.2
255.02989	84.0
256.03397	3.6
269.04526	6.2
277.47156	0.8
283.02463	86.8
284.03201	22.0
290.59738	1.0
293.08728	0.9
298.04816	38.3
299.02209	1.0
299.05582	20.7
299.09137	1.3
315.17953	0.9
326.69324	0.8
333.19678	1.2
341.26984	2.4
345.19138	7.6
359.28085	6.0
363.20151	4.3
371.20737	13.2
372.06696	0.8
380.90109	0.8
404.19345	1.1
443.09833	2.0
443.30383	1.7
473.31262	1.6
485.23978	3.6
502.26672	3.5
503.12048	100.0
503.25171	65.5
503.32401	69.2
504.12329	6.1
504.25482	2.0
504.32693	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	503.1193
Annotation	Rhamnocitrin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
52.82157	0.5
57.03443	0.9
59.01377	21.2
61.98829	2.8
62.44972	0.4
65.00339	0.6
68.99565	3.1
71.01379	6.2
71.02255	1.1
72.35069	0.4
73.02962	2.4
83.01379	1.7
85.02953	3.6
87.00862	0.7
88.41280	0.5
89.02453	2.8
95.01405	1.0
98.46224	0.5
101.02426	3.2
107.01396	0.7
111.00861	0.5
112.98574	4.1
113.02461	4.0
117.03489	0.8
119.03499	1.1
119.04987	0.6
125.02460	0.7
143.03423	0.6
151.00375	1.7
152.00957	0.5
159.04506	0.8
161.04567	1.3
163.00362	0.9
167.05103	0.5
179.05664	0.5
183.04459	2.4
183.13928	0.6
187.03957	0.7
199.03807	0.8
211.03995	4.8
213.01874	0.8
220.77344	0.6
226.02779	0.9
227.01346	0.9
227.03497	11.1
227.12881	1.0
228.03778	0.7
239.03470	0.9
241.05038	2.7
243.06618	0.6
254.02135	1.4
255.02971	100.0
256.03378	4.6
269.04517	6.3
270.05206	0.8
283.02469	82.5
284.03220	48.4
285.03586	1.4
298.04810	37.6
299.05582	55.6
300.05927	2.2
341.06635	1.2
391.13229	0.6
399.23868	1.6
417.24759	1.0
503.11938	95.5
503.32132	4.6
504.12378	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	502.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
61.33881	0.2
61.98829	100.0
69.33722	1.3
69.34145	0.8
75.78006	0.3
84.79593	0.2
103.20055	0.3
113.33578	0.3
121.09422	0.3
146.01289	0.3
326.74268	0.3
357.44064	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96800	0.4
57.03442	2.8
59.01382	8.6
61.98819	1.6
71.01382	4.5
71.24668	1.0
72.99300	0.6
73.02945	1.1
83.01383	1.3
84.02134	0.4
85.02958	2.7
89.02480	0.8
95.01397	1.0
99.00864	0.6
99.04523	2.3
101.02441	3.1
107.01408	0.9
113.02438	3.0
119.03465	0.5
119.05064	0.7
124.34826	0.4
125.02457	1.3
132.02205	0.5
139.07640	0.5
151.00415	2.2
152.01160	0.7
161.04550	1.4
183.04552	2.6
187.04025	0.8
190.11618	0.4
211.04019	3.8
213.01857	0.7
226.02689	1.5
227.03487	4.8
229.17787	0.4
241.05005	2.5
254.02185	0.6
255.02972	82.3
256.03354	3.2
269.04514	6.2
270.05212	0.9
283.02469	82.2
284.03180	17.6
285.03476	0.5
298.04816	40.6
299.02072	0.8
299.05563	17.0
300.06039	0.8
341.06461	1.1
359.20798	0.5
359.27820	1.0
443.10001	2.7
475.11987	0.6
503.11926	100.0
503.32300	6.4
504.12222	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	501.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01715	0.7
61.98828	1.3
69.91194	0.9
69.91582	1.0
71.01382	7.9
72.99299	0.5
73.02942	4.3
83.01405	1.7
85.02948	2.7
87.00854	0.4
87.04571	0.5
88.09231	0.5
88.27659	0.5
88.56853	0.4
89.02442	6.5
99.00902	0.8
101.02442	9.2
111.27697	0.5
113.02449	4.9
119.03490	3.9
131.03491	0.9
143.03555	1.5
149.04538	1.1
154.16519	0.5
161.04549	3.4
179.05562	3.0
219.23868	0.5
221.06747	0.6
260.23688	0.6
381.22928	1.5
399.23810	4.9
441.25156	1.5
511.23489	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0262
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43668	0.3
59.01377	75.4
69.19587	0.4
70.07951	0.7
70.08351	0.8
90.97119	1.1
98.08708	0.3
118.96652	0.5
132.98174	1.5
136.55898	0.4
157.03525	2.7
159.01520	1.4
174.99240	21.9
201.02533	35.7
202.02730	1.5
217.00279	100.0
218.00601	1.5
219.01625	0.4
312.78369	0.5
343.03754	3.0
359.01443	75.5
360.01639	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	501.234
Annotation	Gln Asn Leu Glu
Peak:m/z	Relative Intensity
55.01883	0.9
57.03448	25.5
59.01378	100.0
59.90779	0.6
61.98830	5.5
64.08891	0.5
69.50121	2.8
71.01379	18.1
72.99301	1.2
73.02944	5.2
75.00890	0.6
81.03456	1.2
83.01382	3.0
83.05000	2.7
85.02949	8.1
87.00884	1.1
88.98799	0.6
89.02448	7.7
95.01390	1.3
98.19902	1.1
99.00888	1.9
99.04512	28.4
101.02439	17.3
101.49350	0.6
111.00927	0.5
113.02446	9.3
119.03487	3.8
121.02980	3.1
125.02440	13.7
125.03318	0.7
131.03479	0.7
139.07646	4.9
143.03523	1.5
145.02939	1.0
149.04547	0.9
153.04266	0.5
156.10313	0.7
158.11879	1.1
161.04570	3.4
179.05638	0.7
181.12344	3.1
209.11810	0.8
209.68193	0.5
224.12904	0.8
306.51974	0.6
312.84656	0.6
357.19165	8.8
397.22238	0.8
399.20383	2.1
404.19522	0.9
412.06418	0.6
415.23669	0.8
484.26260	0.6
501.23297	2.3
501.30762	4.4
502.26566	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75098	0.7
59.01380	100.0
61.98825	1.5
71.01386	1.6
71.07417	1.5
71.07754	0.9
91.03978	1.9
104.38067	0.8
107.18141	1.0
113.02496	1.0
190.14932	0.9
277.21729	6.4
319.22690	1.3
347.25787	1.3
356.64426	1.0
365.26947	11.1
398.22122	1.1
511.54709	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44499	0.2
55.09469	0.2
56.98730	0.1
59.01376	0.3
61.98825	100.0
69.48507	1.1
69.48912	0.3
74.38432	0.2
81.03449	0.3
83.01393	0.2
88.90806	0.1
93.03440	0.4
119.05042	0.5
123.04517	1.8
124.94637	0.2
125.02419	1.2
131.40846	0.1
151.00328	0.3
167.03484	6.1
179.03517	0.7
233.78979	0.2
247.89728	0.2
273.07651	10.4
274.08041	0.3
285.09274	0.2
399.09216	0.2
435.12866	2.0
435.17865	0.2
436.12869	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51195	0.6
59.01375	7.5
61.98843	4.2
70.72665	0.5
71.01376	5.9
71.04442	1.4
82.02979	3.2
85.02959	1.1
85.04072	27.0
86.02497	1.3
87.00854	0.7
87.05635	7.2
88.04038	5.6
95.62394	0.6
96.95992	1.1
102.00179	4.5
109.04065	2.4
113.02449	1.4
113.03524	1.6
119.02826	3.2
127.05143	5.8
128.03537	59.3
129.03839	1.1
135.05644	3.3
145.06166	2.5
152.08298	4.4
153.06618	3.5
157.06177	38.4
159.07739	2.4
163.03928	0.7
166.06224	3.8
170.09195	0.7
174.02286	12.5
178.06216	2.9
179.04613	6.3
184.04912	1.5
184.07274	2.1
191.04936	2.3
196.07265	8.4
197.05588	0.8
212.13817	0.8
224.10419	2.0
242.11334	1.1
248.07097	1.3
268.09375	5.7
286.10431	19.1
302.08209	5.5
320.09180	100.0
321.09436	3.1
498.21997	3.6
499.18066	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.8
60.99305	12.9
61.98816	3.0
71.01375	1.6
72.99290	2.3
75.00877	1.6
87.00897	1.3
88.00392	1.9
88.98801	100.0
89.02441	22.6
89.99126	0.9
93.03467	1.3
96.96017	6.6
96.96619	1.0
101.02438	0.8
120.76443	0.7
125.02472	0.9
129.01801	0.7
133.02927	0.8
135.04529	11.3
137.02426	0.9
150.03107	1.0
160.03976	0.8
161.02438	3.0
161.04417	0.9
179.03484	10.9
335.07761	6.8
343.38208	0.8
497.12268	4.6
497.25925	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.5
57.03438	3.3
58.00583	1.4
59.01374	40.5
61.98829	2.1
61.99920	0.8
67.41597	0.9
69.03452	1.8
71.01376	44.9
71.05041	1.6
71.44729	0.9
71.52954	1.6
72.99306	1.9
73.02946	10.9
75.00858	2.0
83.01402	5.1
85.02948	15.8
87.00860	2.7
89.02433	24.5
95.01390	2.3
96.83705	0.9
96.96017	5.7
97.02938	1.7
99.00873	4.6
101.02435	23.3
111.00872	4.1
113.02453	13.5
119.03519	1.3
125.02452	5.5
131.03491	10.8
135.04549	2.0
143.03516	2.5
143.10794	2.9
149.04564	9.5
159.03001	1.7
161.04565	6.2
179.03452	1.8
191.05586	2.3
233.06645	2.5
293.08813	3.8
305.15979	15.7
390.91122	0.9
437.20215	100.0
438.20609	5.6
497.25861	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74242	0.5
55.01876	1.3
56.50784	0.5
57.03453	3.1
59.01376	11.8
61.98824	7.8
64.69884	0.6
67.01887	0.7
70.20477	1.3
70.20849	1.0
71.01380	18.3
72.99307	3.2
73.02951	3.3
74.08000	0.6
75.00869	22.6
80.91695	1.0
83.01381	2.0
85.02949	24.3
87.00876	5.5
88.98823	0.6
89.02447	2.7
93.03461	1.7
95.01382	3.0
96.95983	1.7
99.00880	7.2
101.02430	5.6
102.71373	0.6
109.02902	0.6
111.00912	1.3
112.01672	0.7
113.02454	19.1
113.03265	1.1
115.00339	1.5
117.01979	0.8
125.19746	0.8
129.01923	0.7
131.03467	0.7
132.80090	0.5
135.03000	3.5
135.04523	12.7
137.02449	1.6
138.05521	0.7
157.01408	0.8
161.02417	2.9
161.04515	1.1
165.92941	0.6
166.04999	1.0
167.03532	0.8
175.02466	2.4
179.03487	13.6
179.04982	1.0
272.30865	0.6
273.07562	1.0
321.19153	1.4
323.52625	0.6
335.07706	9.7
336.08109	0.8
341.08231	0.6
413.46271	0.7
448.05637	0.6
488.53085	0.7
497.13745	4.4
497.22382	100.0
498.22604	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	497.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.6
57.03438	3.9
57.21491	0.9
59.01379	36.6
61.98822	1.9
66.15567	0.9
69.03457	1.5
69.78917	5.7
71.01379	38.0
71.05012	2.2
72.99297	2.3
73.02947	9.5
75.00871	2.2
80.90842	1.0
83.01375	5.6
85.02950	13.5
87.00878	2.1
88.32977	1.4
89.01937	1.9
89.02448	25.7
95.01400	2.0
96.96015	5.0
97.02958	1.1
99.00883	3.9
101.02432	21.8
111.00858	3.1
113.02442	13.5
115.04047	1.6
119.03458	1.1
125.02463	6.9
127.06812	0.8
131.03491	10.4
132.37085	1.1
135.04498	1.5
143.10738	2.4
149.04556	6.6
159.02928	1.5
161.04546	4.6
163.76555	1.1
191.05595	4.2
195.00652	1.2
216.15086	1.3
233.06601	2.7
245.04192	1.0
257.73004	1.0
293.08682	5.2
305.16031	12.8
315.16571	1.1
437.20261	100.0
438.20596	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	497.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55864	2.0
59.01378	15.0
61.98828	13.3
63.84090	2.0
69.73198	10.4
71.01376	10.2
72.54720	1.8
72.99290	3.6
73.02921	2.5
75.00861	6.7
80.05049	8.2
83.01427	2.3
85.02934	7.0
88.98808	2.7
89.02429	5.4
91.54831	2.0
92.05050	2.9
94.06631	9.7
96.08198	2.5
96.96008	6.5
97.01710	3.1
101.02431	6.2
106.06626	4.6
109.02950	2.3
109.05306	3.1
113.02425	7.0
119.03499	1.9
120.04547	14.4
121.05329	2.5
122.06120	34.0
123.03151	2.3
123.04491	1.9
124.04042	2.4
124.07675	41.0
128.45253	1.8
135.03004	4.8
136.04042	10.6
136.07587	2.2
137.02386	2.3
138.05563	4.8
140.07137	4.8
148.04048	81.8
149.04704	2.3
150.05598	30.4
152.07217	2.0
166.05045	12.8
168.06651	5.3
179.03410	2.6
183.09268	2.2
194.04431	2.2
197.07193	5.7
198.07957	3.9
199.08772	2.0
199.12378	3.1
200.09549	5.0
201.11224	5.1
210.04111	5.7
211.08768	2.8
212.09375	14.2
213.10260	3.7
215.08304	2.2
215.11862	29.0
217.09711	2.4
225.06699	30.1
225.10332	6.8
226.07413	4.8
226.10979	4.2
227.11882	41.3
231.11345	10.8
240.09038	33.5
241.09647	5.6
243.11340	22.6
244.11969	3.1
245.12936	3.5
254.10545	2.4
255.11380	69.3
256.11710	3.2
271.10666	2.4
272.11484	2.7
273.12427	84.2
274.12704	2.5
275.10242	5.9
287.10236	6.0
290.12964	2.5
291.13406	10.6
299.10303	21.4
316.10541	12.2
317.11386	100.0
318.11710	3.5
334.11710	4.1
335.12445	44.5
336.12637	2.1
347.89355	2.1
435.12741	2.8
437.15311	6.3
479.16669	88.0
480.17105	7.3
497.16843	32.3
497.23273	7.7
498.16479	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	497.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	9.9
59.22370	0.7
61.98829	8.1
66.83884	0.8
69.25529	5.8
73.02947	2.7
83.01374	0.8
85.02959	1.4
89.02456	0.9
101.02448	4.4
107.49579	0.7
107.59438	0.7
109.02970	0.8
113.02448	2.0
113.28281	0.7
143.03497	0.7
149.04498	0.9
151.00308	0.8
161.04510	0.9
163.05130	0.6
255.02899	3.8
256.03711	1.7
283.02536	3.2
284.03238	66.2
285.03632	3.8
297.03940	1.0
298.04800	1.9
299.05579	100.0
300.05960	4.4
305.09656	0.8
334.09625	0.7
461.10916	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	497.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65640	0.6
54.08596	0.5
57.03450	4.3
59.01377	3.2
61.98829	13.3
71.01360	0.7
77.33961	0.5
81.03488	0.5
83.75721	0.5
85.02935	0.6
99.04517	2.8
101.02434	2.2
125.02503	0.6
151.00366	1.0
155.43347	0.5
219.02980	1.1
229.27931	0.6
234.05304	1.1
249.07755	1.4
255.02966	41.0
256.03320	1.6
269.04526	2.2
279.08676	4.6
283.02463	32.3
284.03180	7.8
285.03918	1.8
297.03949	6.0
298.04810	14.3
299.05545	8.6
299.31824	0.5
313.03510	3.0
434.11365	0.8
446.08514	21.4
447.08813	1.1
461.10864	100.0
462.11206	6.8
497.26126	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17145	0.3
53.20599	0.2
57.21132	0.2
61.98827	100.0
65.92612	0.3
69.60316	0.7
69.60728	0.9
72.21572	0.2
86.57980	0.2
90.87144	0.2
117.03476	0.3
119.05022	1.1
139.99251	0.3
141.99919	0.3
145.02946	5.5
163.03964	1.2
203.87726	0.3
211.13531	0.4
212.13826	0.3
281.19971	0.2
287.22311	0.4
301.67670	0.3
345.31104	0.3
363.99823	0.3
433.25955	6.5
434.26767	0.5
501.70709	0.3
505.12680	0.3
521.92523	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41940	0.3
54.69097	0.3
55.97774	0.4
59.01374	0.6
61.98828	100.0
69.34102	2.1
69.34509	0.6
77.07588	0.4
80.82486	0.3
83.54159	0.3
84.02611	0.4
98.64867	0.3
153.27504	0.5
211.13515	0.9
211.35878	0.4
224.71518	0.4
227.74773	0.4
438.45175	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.7
61.98828	100.0
63.82726	0.3
69.35014	2.3
71.01384	0.4
73.02996	0.3
106.93590	0.3
109.23830	0.3
117.10442	0.3
119.93094	0.3
165.33273	0.3
188.49168	0.3
192.55777	0.3
201.53662	0.3
211.13367	0.4
438.53214	0.3
497.27649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53069	0.3
51.59999	0.3
52.57954	0.2
54.84331	0.2
56.94421	0.2
57.03447	0.3
57.21288	0.2
59.01379	3.1
60.03256	0.2
61.98826	100.0
63.02406	0.3
65.00327	1.1
70.37627	0.3
70.66733	0.2
71.01387	0.8
71.54248	0.4
73.02951	0.3
77.01287	0.3
83.01394	1.2
85.02944	0.3
86.01091	0.3
88.98802	0.5
89.02493	0.3
93.03481	0.6
101.02462	0.6
101.07246	0.3
107.01388	1.5
109.02972	0.3
109.28194	0.3
113.02475	0.5
119.05000	3.2
120.05293	0.3
125.02473	0.5
145.03004	0.7
151.00357	8.0
152.07169	0.3
163.20456	0.3
165.01990	0.7
169.01463	0.3
177.01891	0.6
185.11807	0.3
187.03928	0.3
227.07214	0.7
267.07147	0.5
271.06094	13.7
272.06424	0.7
313.05698	0.7
326.79599	0.3
433.11374	8.9
433.17181	0.5
434.11740	0.6
443.46558	0.3
464.18118	0.3
484.21939	0.3
495.24701	0.3
495.32162	0.6
496.20984	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.86214	0.7
69.86627	0.8
75.24770	0.3
79.03306	0.3
82.87646	0.3
98.27873	0.3
101.21267	0.3
137.94107	0.3
143.20734	0.3
145.02975	0.4
170.85654	0.3
209.11746	0.5
210.12216	0.4
211.13417	1.2
212.13765	0.4
236.16884	0.3
261.74820	0.3
374.92810	0.3
388.86795	0.3
409.52530	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.8
61.98825	6.3
69.45027	3.9
71.01366	4.7
73.02938	1.2
75.00863	3.2
75.33215	0.5
80.02662	0.9
81.03439	1.0
83.01389	1.3
83.05025	4.6
84.02161	0.7
85.02947	1.9
87.00862	0.6
88.98750	0.6
89.02439	4.3
95.01401	0.6
95.05003	1.2
98.19848	0.5
99.00895	0.6
101.02446	4.9
109.06564	0.6
113.02462	2.8
116.07458	0.6
119.03511	1.4
121.02943	1.8
125.02438	1.0
125.05993	0.6
129.02003	0.6
133.05045	0.6
135.08191	0.7
152.01114	0.9
152.95285	0.6
161.04539	1.8
163.11235	3.2
165.12839	1.6
167.03487	1.3
179.05560	0.8
180.03793	0.6
181.12373	0.7
184.68295	0.5
191.10770	0.7
209.11813	100.0
210.12126	3.6
227.12866	18.7
227.15147	1.0
235.08188	0.7
245.87158	0.6
253.09283	14.4
333.26541	0.6
495.20746	1.6
495.31702	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	495.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68288	0.4
56.95044	0.5
57.03446	6.7
59.01377	58.0
59.43884	0.4
60.01693	0.5
61.98832	7.2
66.53853	0.4
69.48383	1.5
69.48803	1.8
71.01379	3.3
73.02945	1.5
78.95897	1.3
80.90259	0.5
85.02979	2.7
87.00832	0.7
87.04511	1.8
89.02436	0.6
89.79835	0.4
99.00920	0.4
101.02448	2.7
103.04008	100.0
104.04359	1.1
110.98539	1.2
113.02466	1.7
119.04993	0.4
125.02413	0.6
132.63258	0.4
161.04552	1.1
165.98451	0.5
167.01085	0.7
171.10269	1.3
178.70279	0.5
211.13416	1.4
229.14409	0.6
289.16510	1.1
307.17636	0.9
327.21829	2.1
349.18661	1.7
405.82455	0.5
435.22336	3.4
446.27777	0.6
491.13242	0.5
495.23715	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	495.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24799	4.8
59.01374	100.0
61.98831	36.6
68.41564	4.9
69.42635	31.3
71.01378	13.2
77.05733	4.8
85.02957	4.8
89.02425	9.8
101.02436	7.5
113.02460	7.2
125.02432	4.8
129.11319	5.0
167.06061	4.6
223.13271	14.1
415.23276	12.6
426.30521	4.6
435.29407	5.7
495.13104	7.2
495.19418	11.8
496.81528	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	495.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63163	4.1
57.03432	6.2
59.01379	100.0
61.98833	26.8
69.41330	20.8
69.41733	8.4
71.01384	20.8
73.02962	8.0
83.76214	4.1
85.02954	8.7
89.02449	6.3
96.95988	7.9
101.02441	17.9
113.02431	11.7
119.03512	5.0
119.28791	4.5
130.41547	4.7
161.04478	8.0
171.10306	4.5
223.13266	6.4
327.21863	5.4
435.29950	7.7
495.24136	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49492	0.3
57.03428	0.5
57.06784	0.3
59.01375	4.8
59.42226	0.3
60.99299	0.3
61.98825	2.7
62.81870	0.3
65.00323	2.3
69.53246	2.1
70.06630	0.3
71.01379	4.1
72.99290	0.5
73.01942	0.3
73.02934	0.6
75.00848	1.1
79.67844	0.4
83.01374	0.7
84.63560	0.3
85.02955	2.0
85.56611	0.3
86.71438	0.3
87.00878	0.9
88.98814	2.7
89.00330	3.1
89.02456	3.2
93.03452	0.6
95.01405	1.7
96.96019	0.7
97.02938	0.4
99.00874	0.4
101.02427	1.5
107.01392	1.9
107.82626	0.3
109.02952	0.6
109.06615	0.3
113.02433	1.3
115.04008	0.3
119.03483	1.1
121.02951	2.5
123.00876	0.7
125.02432	1.8
127.05510	0.5
129.03462	1.6
133.02980	0.6
137.02435	15.0
138.03200	0.7
143.05009	1.0
145.02930	0.7
148.01665	0.5
148.04089	0.3
149.02431	1.0
150.03226	1.2
151.00349	5.1
153.05548	1.1
154.04236	0.3
155.04947	0.9
157.02965	1.0
159.04526	2.4
161.02443	2.4
163.04051	0.4
163.06198	0.5
164.04742	0.5
165.01904	0.4
165.03969	0.3
165.05556	0.8
166.02736	0.5
169.02892	0.3
171.04507	2.6
175.03967	1.0
178.99832	0.5
179.03513	0.4
181.05022	1.6
183.04497	9.2
185.02428	2.5
187.03664	0.3
189.01851	0.4
195.06607	0.9
198.03203	0.5
199.03995	3.7
200.04370	0.4
201.01921	2.3
203.03477	2.7
204.00684	0.3
211.06091	0.5
214.02682	0.4
215.03549	2.2
216.04102	0.4
227.03487	7.3
228.03758	0.3
242.02254	2.7
243.02959	7.8
244.03629	1.2
245.04497	0.9
246.01773	0.4
271.02454	100.0
272.02789	4.0
286.08221	0.4
287.09012	0.3
289.07086	0.4
301.10928	0.4
315.01431	0.7
315.04727	0.4
315.18170	2.1
333.06100	1.3
333.09653	0.8
435.22336	0.5
451.08929	1.7
495.16190	2.2
498.85373	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
65.52506	0.4
70.53268	1.4
75.43652	0.4
79.46041	0.5
83.28088	0.4
88.42818	0.5
95.05082	0.4
105.24152	0.4
105.93717	0.4
117.03505	0.5
119.05049	0.7
126.09670	0.4
127.22085	0.5
145.02960	4.3
163.04016	1.0
306.60913	0.4
431.24341	5.2
432.24396	0.8
445.30908	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75520	0.5
56.12905	0.5
59.01378	6.0
61.98826	100.0
65.69065	0.5
69.06979	0.5
70.42355	0.6
71.37230	0.9
71.37592	0.7
88.07210	0.6
120.05417	0.6
145.02959	1.8
176.67787	0.6
211.13504	1.1
242.77026	0.5
271.22723	2.7
313.23871	3.6
321.48615	0.6
330.62027	0.7
405.51096	0.6
409.22961	0.6
431.24756	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79800	0.8
57.56953	0.6
59.01376	12.1
61.98827	100.0
63.13209	0.9
69.05325	0.8
70.75372	0.8
70.75711	1.5
78.14484	0.7
112.23650	0.8
131.83957	0.7
144.03181	0.7
147.64847	0.8
155.94896	0.6
211.13411	1.5
253.05907	0.8
271.22809	6.9
297.43369	0.8
313.23862	8.6
443.84711	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75515	0.3
59.01377	4.5
61.98824	1.2
63.02388	0.5
65.00329	2.8
71.01390	2.9
71.52857	0.5
72.99297	0.8
73.02948	0.4
75.00879	0.5
83.01384	1.5
85.02946	1.1
87.00855	0.3
88.98817	0.8
89.00320	2.3
89.02438	2.9
93.03465	0.6
95.01368	1.8
97.02942	0.9
97.97933	0.3
101.02451	1.8
101.03957	0.3
101.23882	0.3
103.63338	0.3
104.81408	0.3
107.01403	2.6
109.02947	1.0
113.02448	1.1
119.03460	0.5
121.02975	3.0
125.02451	2.2
127.30745	0.3
129.03464	2.1
131.05058	0.4
133.02950	0.5
137.02444	17.8
143.05063	0.4
145.02937	0.7
147.04510	0.5
148.01727	0.5
149.02467	0.4
151.00368	6.5
152.01227	0.5
155.05035	0.8
157.02914	1.0
159.04469	2.1
161.02458	3.4
165.01932	0.9
167.03496	0.4
169.02965	0.4
171.04562	2.3
173.02376	0.3
174.03241	0.4
175.02444	0.3
175.03981	1.0
177.01935	0.4
178.99858	0.4
179.03511	0.7
183.04504	10.3
184.04845	0.5
185.02457	2.7
187.04007	0.6
191.03418	0.4
192.00523	0.4
192.04221	0.5
193.01367	0.5
198.03279	0.4
199.04034	2.9
201.01973	2.5
202.02480	0.4
203.03513	3.7
213.05092	0.4
215.03503	2.8
216.04279	1.6
217.04999	1.2
218.02217	0.5
219.02870	0.5
220.03761	1.3
221.04550	1.1
226.02725	0.4
227.03499	8.2
229.01447	0.3
242.02139	1.1
243.02982	6.6
244.03741	4.3
245.04526	3.7
246.01721	1.9
246.04178	0.3
257.04373	0.3
259.05865	0.4
271.02457	100.0
272.02753	3.7
288.02710	1.2
289.03473	0.8
315.01520	0.5
315.08728	1.0
323.26678	0.3
333.06143	0.6
333.09711	2.9
355.06754	0.8
357.09692	0.6
383.09921	0.5
407.09763	1.4
409.07611	0.5
423.09381	1.1
451.08725	8.4
451.21863	0.4
452.09238	0.7
495.20868	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74992	0.3
59.01375	3.3
61.98829	100.0
62.98536	0.4
64.31615	0.3
66.35992	0.4
71.01396	2.0
75.00867	0.7
84.69611	0.3
85.02964	0.7
89.02470	1.0
93.29811	0.4
96.96042	0.4
98.19910	0.7
101.02454	0.9
112.74666	0.4
113.02435	0.5
119.03492	0.8
179.05620	0.8
209.11830	1.2
239.03542	0.5
240.04341	0.4
243.71350	0.4
268.03754	11.9
269.04556	3.9
288.31155	0.4
326.78357	0.4
389.85175	0.4
431.09793	15.0
432.10504	0.8
433.24277	0.8
493.22635	0.5
493.29749	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	13.7
59.01371	3.1
59.65411	0.4
61.98823	100.0
69.03450	0.5
69.91828	0.8
69.92225	1.4
71.01375	0.9
85.02956	0.5
87.00838	0.4
88.98791	0.8
89.02424	0.6
93.43321	0.5
95.01323	0.5
97.02926	2.7
97.18829	0.4
98.20596	0.8
99.04512	15.5
101.02431	4.9
113.02411	0.6
125.02430	23.8
137.02412	0.7
143.03468	1.1
161.04567	1.5
174.51840	0.5
177.05424	0.5
177.27307	0.4
203.05557	1.1
243.08742	1.0
271.02350	2.2
329.08643	2.1
416.70764	0.5
431.11807	6.0
494.19769	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.14178	2.9
61.98820	5.9
62.60797	2.8
70.64265	7.0
71.01361	3.1
72.47777	2.5
80.20345	2.1
89.02447	13.3
91.04005	64.3
107.51507	2.2
185.17371	2.3
211.13402	4.2
223.18649	3.2
223.20676	41.9
267.19629	40.6
271.22745	4.4
285.20676	43.4
341.23389	25.7
359.24310	51.7
475.26855	5.3
493.27606	7.6
511.61353	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	494.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11498	0.2
52.25784	0.2
59.01070	0.3
59.01377	10.7
61.98827	100.0
68.48604	0.2
71.01385	1.4
71.54199	0.3
72.99333	0.2
73.02956	0.7
75.00871	0.6
83.01424	0.3
85.02969	0.8
88.98849	0.3
89.02443	0.6
96.96027	0.2
99.00877	0.3
99.04529	0.3
101.02446	1.3
113.02437	0.9
125.02462	0.2
137.02460	0.2
137.92998	0.2
161.04564	0.4
183.13899	0.3
209.11975	0.3
213.28909	0.3
269.13980	0.7
271.06073	0.3
272.06683	0.3
286.08533	0.4
301.10880	0.7
302.11203	1.5
331.25043	0.3
375.27658	0.4
376.27661	0.2
431.09766	0.5
431.19345	0.9
433.28088	0.7
434.28720	0.5
451.29236	0.4
493.23016	0.3
493.29752	0.8
494.13861	0.3
494.23239	0.4
494.30319	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	20.8
61.98823	1.6
70.02105	1.7
71.01381	1.2
80.91669	0.6
86.07731	0.5
88.09151	0.5
91.05535	1.5
93.03437	0.8
93.55915	0.4
101.02473	0.6
108.02177	1.4
109.02948	14.1
113.02464	0.6
115.55675	0.4
121.02955	9.4
122.03757	2.5
123.04531	3.3
134.03719	2.1
135.04520	24.0
147.04489	4.2
148.05272	0.6
149.06075	5.3
186.06767	0.6
197.06239	0.6
199.04022	0.8
205.09601	0.5
212.08394	1.0
214.06314	1.3
229.08723	1.2
237.05827	0.5
238.06381	0.5
239.07025	0.5
241.05052	1.6
247.68639	0.4
253.08656	0.8
256.07373	2.9
268.14142	0.5
271.09741	100.0
272.10129	4.4
433.15076	2.7
433.27991	1.5
449.80508	0.4
451.29016	0.4
493.30133	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.3
55.87239	1.8
59.01379	100.0
61.98819	11.7
63.29648	1.6
71.01382	36.7
72.99335	1.7
73.02949	12.2
83.01380	8.1
85.02939	18.5
88.98795	2.0
89.02440	5.9
95.01400	2.4
99.00875	6.7
101.01800	2.9
101.02439	37.5
113.02442	19.7
125.02393	1.7
150.30785	1.5
159.03004	2.4
161.04529	28.3
171.10313	4.1
195.29559	1.7
209.11746	6.6
215.36644	1.7
247.13341	2.8
271.17068	1.8
271.22702	6.1
289.17828	1.9
301.06586	1.7
311.94333	1.7
430.17700	2.3
433.28024	79.8
434.28259	4.9
456.29434	1.9
475.26865	1.9
481.03076	1.8
486.38202	2.0
493.28329	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1138
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
50.21646	1.2
55.90806	1.2
58.34235	1.2
59.01389	7.7
59.01639	1.5
61.98832	6.9
65.00319	1.5
71.53272	1.6
71.57694	1.1
72.99286	1.4
82.33555	1.2
83.01385	1.7
95.42475	1.2
107.01402	4.6
114.21685	1.1
133.02951	11.9
149.02449	2.6
151.00357	9.8
154.21013	1.4
155.84564	1.2
175.04037	3.7
183.04381	1.2
199.03908	3.7
201.01846	1.5
208.59395	1.2
209.11813	4.6
217.05055	2.4
227.03539	2.7
241.05028	1.3
255.02977	70.4
256.03729	38.1
257.04346	1.3
269.04285	1.3
283.02457	86.7
284.03232	100.0
285.04001	99.4
286.04294	4.8
310.15982	1.4
326.04587	1.8
359.75024	1.2
475.10544	2.1
493.11404	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	493.0985
Annotation	Myricetin 4'-methyl ether 3-O-beta-D-galactopyranoside
Peak:m/z	Relative Intensity
55.01893	0.6
57.03435	1.8
58.57714	0.6
59.01377	42.4
59.56722	0.6
59.77763	0.6
60.01729	0.8
61.98819	2.1
65.00316	1.5
69.58724	0.7
70.69720	0.6
71.01384	6.5
71.53679	0.6
71.54038	0.8
72.99302	2.0
73.02950	2.2
75.00871	22.1
83.01390	1.5
85.02944	4.3
87.00874	1.1
88.98810	0.9
89.02446	2.8
91.01881	0.7
91.95973	0.6
93.03419	0.8
99.00876	1.9
101.02431	2.6
107.01402	1.5
113.02448	4.2
124.01642	1.1
125.02455	1.4
138.01932	0.7
143.03505	0.7
143.04982	0.9
151.00362	9.6
151.03955	0.8
152.01157	0.7
163.00415	1.9
164.01088	0.9
165.05476	1.0
178.99883	4.4
181.12273	1.2
187.03973	2.0
199.03944	2.0
201.01918	0.7
203.03520	6.7
207.10207	1.8
213.02071	0.7
214.02631	1.5
215.03474	5.6
217.01321	1.7
225.11284	3.1
227.03316	0.9
231.03008	6.8
241.01382	1.0
242.02136	1.9
243.02974	9.6
243.12199	0.8
244.03531	0.8
249.06093	1.0
258.01718	1.1
259.02454	14.8
260.02911	0.8
269.00861	1.3
270.01645	2.0
271.02472	19.7
285.03931	1.8
286.01169	3.0
287.01953	32.8
288.02618	1.8
298.01239	1.0
301.03445	3.7
302.04391	0.7
303.05020	0.8
313.03720	0.7
314.97635	1.4
315.01437	68.5
316.02136	12.9
330.03775	77.8
331.04550	46.3
331.08133	3.7
332.04846	1.5
361.15958	2.1
361.22104	1.6
373.22235	1.5
391.23267	0.9
418.62177	0.7
431.30188	0.8
433.24380	2.5
492.20001	1.2
493.09857	100.0
493.19095	14.5
493.30075	24.9
494.10208	6.6
494.17670	0.8
494.18808	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
57.03447	1.5
58.00620	0.5
59.01379	100.0
61.98828	1.7
69.54661	3.5
70.25920	0.5
70.63477	0.5
71.01380	14.0
72.99303	1.1
73.02946	3.1
75.00872	1.9
83.01403	1.8
85.02946	5.4
87.00887	0.8
88.98819	2.7
89.02441	6.5
93.03445	1.0
95.01386	1.1
96.96005	3.4
98.19853	0.5
99.00883	1.1
101.02433	7.3
108.02180	0.8
109.02966	2.9
113.02457	4.7
119.03539	1.1
119.05010	0.6
121.02944	0.9
123.04543	1.1
125.02494	0.9
138.02013	1.4
143.03502	0.8
151.03992	0.9
159.02950	0.5
159.04483	0.9
161.04549	2.9
163.04060	0.7
173.06056	1.3
179.05577	0.8
181.04970	0.5
187.07704	0.8
190.10292	0.6
191.07120	0.6
203.07167	0.7
241.05074	1.9
253.04988	0.5
255.06590	1.4
265.12518	0.5
280.07224	0.7
281.08234	1.2
283.10086	0.6
287.09241	1.2
295.09781	1.5
296.10587	0.7
299.09378	0.7
311.09241	1.9
313.10782	1.5
326.11612	1.6
329.06555	1.0
341.13965	2.8
344.12598	6.9
347.24008	0.6
359.15005	18.8
360.15430	1.3
371.20642	5.8
372.20929	0.5
387.20505	0.6
389.21790	13.5
390.22168	1.0
398.94687	0.5
431.22794	11.6
432.22684	0.6
491.11691	1.1
491.19058	23.0
491.30054	2.4
492.19379	1.6
510.59290	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2133
Annotation	Jasminoside H
Peak:m/z	Relative Intensity
51.13039	0.3
52.63889	0.3
55.01861	0.4
57.03451	1.7
59.01377	8.0
67.01891	2.0
68.99806	1.6
69.03449	1.4
70.54743	0.3
71.01375	6.2
72.99324	0.5
73.02940	0.5
75.00880	0.4
83.01382	1.3
83.05003	0.4
83.65324	0.3
85.02945	9.3
87.00880	3.1
89.02422	0.6
91.03987	0.8
95.01405	1.8
99.00874	0.6
101.02448	1.2
111.00870	1.9
111.08134	1.0
113.02442	9.0
115.00330	0.6
115.03997	0.3
129.01909	1.1
139.00345	0.7
149.14032	0.3
157.01401	1.7
159.75746	0.3
165.10736	0.4
165.12840	13.5
183.13887	100.0
184.14207	3.1
189.03937	0.7
205.07159	0.7
209.11798	2.5
227.12888	6.6
231.04982	0.4
249.06223	0.5
263.07736	5.3
281.08679	3.1
301.16550	6.4
373.25726	1.0
379.17294	0.6
415.19739	3.9
431.26428	0.8
433.12079	0.4
447.22205	1.7
459.18723	7.5
473.20187	3.7
491.21313	73.7
492.21674	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	491.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21537	0.3
52.42233	0.3
57.03446	0.4
57.23661	0.3
58.38974	0.3
59.01378	100.0
60.01709	0.7
61.98832	1.5
63.25048	0.3
71.01381	4.5
71.54102	0.4
72.99334	0.3
73.02946	0.6
75.00867	1.3
83.01379	0.4
85.02943	1.9
86.18941	0.3
87.00871	0.4
89.02441	4.0
95.01398	0.3
101.02431	1.9
108.02247	0.3
108.07559	0.3
109.02958	1.1
113.02462	2.3
114.47352	0.3
119.03512	0.8
120.43391	0.3
121.02957	1.0
123.04527	0.3
125.02444	0.3
131.03459	0.5
137.02457	0.6
149.02531	0.4
149.04491	0.6
150.03236	0.6
151.00418	0.4
151.04007	0.5
160.01695	0.6
161.02429	1.5
161.04536	0.6
162.03137	0.3
164.40169	0.3
166.02728	0.6
169.02927	0.3
173.06052	0.3
175.03979	0.5
179.05574	0.4
181.05092	2.2
185.02454	0.4
187.00360	0.3
198.03250	1.0
199.03877	0.4
202.02768	0.7
214.02753	0.6
215.03479	0.5
225.01956	0.6
226.02725	5.6
227.03467	3.8
227.12990	0.4
227.16414	0.4
242.02205	1.3
243.02968	5.9
253.01366	0.9
270.01688	5.4
271.02444	9.0
272.06812	0.5
274.01358	0.4
284.03342	0.8
285.04044	11.9
286.04523	0.4
287.09238	1.6
299.01938	9.7
300.02512	0.7
309.04022	0.5
311.01941	0.4
312.02747	1.3
313.03519	20.3
314.04172	4.0
315.05154	0.9
327.05042	1.0
328.02264	0.4
328.05804	3.9
329.03049	0.6
329.06616	2.8
329.13953	0.5
341.13965	2.0
343.04556	2.2
357.06155	0.4
370.14114	0.3
371.20648	1.2
389.21777	2.7
431.22885	2.7
461.07224	12.2
462.07599	0.5
476.09506	7.6
477.10043	0.6
491.11951	58.4
491.19507	2.0
492.12253	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	491.2133
Annotation	Jasminoside H
Peak:m/z	Relative Intensity
55.01874	1.9
57.03451	5.5
57.03687	1.0
59.01379	99.5
60.01715	0.9
60.41640	0.9
60.53936	0.9
70.47141	3.0
71.01009	1.6
71.01380	22.3
72.99305	4.1
73.02959	4.4
75.00868	25.3
83.01374	3.2
85.02948	30.3
87.00884	8.1
89.02447	2.4
95.01385	5.1
99.00874	8.3
101.02448	4.3
103.57437	0.8
106.30664	1.1
111.00879	5.2
113.02447	27.4
115.00379	1.5
117.01932	1.4
123.02554	1.0
129.01976	1.3
157.01317	1.2
175.02432	3.2
187.81084	0.9
229.06683	1.0
299.01859	1.1
315.18402	1.2
329.06537	1.5
335.06277	2.0
347.16904	1.0
441.31152	1.1
491.21326	100.0
492.21661	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	491.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.6
57.03446	4.3
57.98388	0.5
58.00569	0.7
59.01377	30.1
61.98818	0.8
69.03474	0.9
69.42954	3.4
70.99404	0.4
71.01377	24.3
72.99303	3.3
73.02945	3.0
75.00868	23.7
83.01376	2.4
84.02159	0.6
85.02946	27.9
87.00865	6.5
89.02448	7.7
93.03431	1.2
95.01382	3.1
97.02969	0.5
99.00875	9.2
101.02444	6.3
103.00373	0.9
109.02929	1.1
111.00881	0.7
112.01660	0.9
112.86229	0.5
113.02443	23.1
115.00340	1.9
117.01923	1.2
119.03474	2.0
121.02975	1.1
125.02371	0.6
129.01924	1.1
131.03464	0.8
137.02426	1.3
153.01938	0.5
157.01404	0.9
161.04552	0.6
173.04527	1.5
175.02455	3.3
198.41487	0.5
211.98410	0.5
240.18779	0.5
255.02953	1.1
269.08029	0.7
272.97498	0.5
283.02368	0.6
284.03296	5.1
287.09213	2.3
299.05606	8.1
313.03445	0.6
351.94791	0.7
373.26175	0.5
431.27066	1.0
447.12759	0.7
447.22720	1.2
449.27612	1.2
473.20187	0.6
491.21310	100.0
492.21686	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	491.2134
Annotation	Jasminoside H
Peak:m/z	Relative Intensity
50.83958	0.4
55.01870	0.6
57.03444	7.6
58.00592	1.0
58.12358	0.3
59.01067	0.6
59.01377	17.8
61.98827	1.4
67.01886	1.0
68.99817	1.5
69.03446	3.8
71.01380	18.5
71.05015	1.1
72.01727	0.5
72.99304	6.7
73.02952	1.8
75.00870	18.5
76.78871	0.4
77.73235	0.3
78.91830	0.3
81.03472	1.2
83.01389	1.6
83.05037	1.4
85.02948	21.0
87.00874	7.4
89.02449	4.1
90.83298	0.4
91.04048	0.7
93.03436	2.8
95.01385	5.6
97.06574	1.2
98.19848	0.9
99.00878	11.8
101.02446	0.7
103.00382	2.4
109.02991	0.4
109.06554	0.7
111.00909	0.9
111.08159	9.9
112.01690	0.5
113.02446	26.8
115.00384	2.4
117.01923	3.0
121.02950	1.9
129.01907	2.2
130.99654	0.4
137.02431	6.0
139.00363	0.8
153.09163	0.6
157.01408	1.2
163.11304	0.8
165.12837	88.9
166.13173	2.3
175.02483	3.6
181.12288	2.4
183.13890	16.1
184.14200	0.4
189.03911	0.5
191.09244	0.4
191.10732	2.6
197.15543	0.6
205.07137	1.7
209.11803	8.6
227.12840	7.0
231.05075	2.6
241.14412	3.0
249.06151	20.1
250.06618	0.5
267.07211	2.9
301.16571	1.0
359.14310	0.4
415.19690	14.6
416.19882	0.6
431.19073	1.1
441.17517	0.9
459.18875	3.0
473.20279	2.9
491.21307	100.0
492.21759	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	491.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32288	1.0
59.01378	100.0
66.92712	1.2
70.65435	2.6
71.01379	15.6
73.02938	8.0
75.00859	1.6
83.01373	2.6
83.01847	1.1
85.02946	4.8
87.00875	3.0
89.02448	9.0
101.02425	10.9
113.02428	7.8
119.03500	3.8
124.96434	1.0
125.02435	2.6
131.03487	1.7
143.03558	1.6
153.09164	2.1
153.74774	1.1
161.04553	3.0
179.05617	1.8
182.01114	1.1
213.32718	1.0
213.74535	1.1
225.11343	1.5
227.12833	1.3
243.16096	2.3
259.06284	1.3
344.77475	1.2
357.14148	1.2
371.21219	1.2
387.20303	10.1
405.21423	6.8
431.22916	1.2
447.22406	13.5
448.23004	1.5
458.50305	1.1
491.21686	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.5
58.00578	3.5
59.01377	85.2
61.98830	7.5
62.02182	0.7
62.81129	0.7
63.25589	0.7
67.85636	0.7
69.45892	4.7
71.01379	63.7
72.99303	3.8
73.02941	1.3
75.00866	3.4
81.10110	0.7
83.01358	1.4
85.02942	8.5
87.00849	2.0
89.02441	88.6
90.02792	0.7
93.03387	1.1
101.02431	7.8
108.02185	3.3
109.02946	6.3
113.01721	1.0
113.02451	12.2
119.03480	2.6
121.02963	7.5
122.03732	2.7
123.04543	4.6
124.01598	0.8
130.30682	0.8
131.03494	13.8
134.03769	1.1
137.02475	1.0
143.05084	1.0
149.04555	17.1
149.97084	1.0
151.03975	1.3
158.03749	1.1
159.04488	6.8
160.05293	19.4
161.04703	0.9
161.06012	4.2
162.03256	1.7
166.02702	8.7
171.04489	1.8
172.05296	11.0
173.06023	7.0
174.06856	1.7
175.03981	1.6
175.07605	7.5
177.05588	1.1
179.05666	0.9
181.05055	24.3
185.06082	0.8
187.07648	4.1
188.04797	1.0
189.05553	19.7
189.09201	0.9
190.06329	23.2
191.03488	0.9
191.06662	1.2
197.87633	0.8
200.84097	0.7
203.07124	1.7
204.07895	1.1
205.08687	21.5
210.08279	0.8
217.08704	0.9
243.03052	1.3
271.02567	1.8
281.08145	5.2
285.03998	1.6
295.09772	2.7
296.10498	12.3
297.10779	0.9
299.02023	2.5
308.10654	1.9
310.08554	0.8
311.09369	1.7
311.12845	15.5
312.13214	0.9
313.03555	2.3
323.12851	1.1
326.11526	2.1
329.13812	4.1
341.13904	100.0
342.14325	6.5
461.07242	1.1
465.89465	0.7
476.09583	1.3
491.11951	8.5
491.20407	12.1
492.11987	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1919
Annotation	Schizandriside
Peak:m/z	Relative Intensity
51.29888	0.4
54.17498	0.4
55.01880	1.0
57.03443	1.2
58.00605	1.0
59.01376	28.6
64.32773	0.5
69.76088	2.0
71.01376	17.4
72.99315	1.4
73.02953	2.0
83.01391	1.7
85.02941	5.3
85.18361	0.5
87.00861	0.5
89.02437	12.6
91.01919	0.7
93.60381	0.4
98.19893	0.4
99.00888	0.6
101.02479	1.2
108.02113	0.9
109.02948	10.3
113.02456	1.7
118.11415	0.4
123.04527	3.0
131.03503	0.8
136.71690	0.5
144.05740	0.6
149.04620	0.8
159.04474	4.4
171.04529	0.8
172.05246	3.6
173.06049	5.5
187.07619	3.9
189.05547	3.6
191.07162	1.6
197.06087	0.5
201.05504	1.0
203.07121	1.5
213.05588	0.5
225.05515	0.7
240.04330	1.2
241.05016	7.3
242.05612	0.7
253.05103	2.5
255.06573	4.4
256.07031	0.7
267.06641	1.4
268.07516	2.1
269.08200	1.0
279.06512	1.0
280.07458	1.8
280.66989	0.5
281.08173	3.5
283.09778	1.6
293.08005	0.6
295.09772	6.0
296.10458	3.4
297.11005	0.5
298.08472	1.1
299.09213	4.1
308.10522	0.6
309.11383	1.0
310.08359	0.5
311.09256	7.3
311.12756	1.1
312.09692	0.6
313.10760	10.0
325.10840	1.0
326.11496	7.4
327.12225	1.3
329.10199	3.3
341.13870	10.9
342.14383	0.7
343.11792	2.1
344.12585	27.9
345.13062	2.0
359.14975	77.7
360.15332	3.8
491.19156	100.0
492.19434	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	491.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09224	0.4
55.01884	1.2
55.84226	0.5
57.03440	0.9
58.00587	0.9
59.01376	79.7
60.01719	0.6
61.98826	2.5
67.46800	0.6
69.48744	2.2
69.49161	1.2
71.01378	20.3
72.99310	1.6
73.02937	4.0
75.00882	0.8
79.63238	0.4
83.01395	2.0
85.02947	6.5
87.00861	1.2
89.02438	15.1
91.01917	0.7
95.75434	0.5
96.96044	1.3
98.19991	1.0
99.00894	1.4
101.02430	4.3
102.51221	0.4
108.02166	2.0
109.02943	11.1
113.02432	2.7
119.03506	0.5
121.02953	2.7
123.04527	1.9
129.01880	0.5
131.03539	1.6
135.04494	0.5
144.05751	0.9
144.31090	0.6
149.04532	1.0
150.03235	1.0
158.03847	0.6
159.04506	4.9
161.04543	1.6
165.05556	1.7
171.04559	0.7
172.05338	3.2
173.06073	6.4
185.06058	0.7
187.07634	3.4
189.05592	3.8
190.06393	0.5
191.07141	2.2
203.07133	1.9
203.17537	0.5
217.08681	0.8
225.09296	0.5
240.04274	1.6
241.05035	7.2
253.05119	2.5
253.08345	0.5
255.06627	4.7
262.89984	0.5
263.07205	0.8
267.06644	1.9
268.07312	2.2
269.08075	1.7
279.06625	1.0
280.07428	1.6
281.08194	4.6
282.08572	0.9
283.09683	3.0
287.09238	3.5
293.08041	0.6
295.09698	7.6
296.10373	2.7
298.08359	0.6
299.09271	5.7
310.08444	0.6
311.09265	7.2
311.12750	0.9
313.10791	9.6
313.62897	0.6
314.11066	0.7
325.10904	1.0
326.11539	7.1
327.12247	1.5
329.10236	3.5
341.13910	12.7
342.14331	0.6
343.11786	1.8
344.12598	29.4
345.13089	1.9
359.14966	91.5
360.15372	5.5
371.20532	0.9
389.21616	3.3
431.22711	2.8
440.47812	0.6
443.01682	0.5
491.19186	100.0
492.19485	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	491.1767
Annotation	Rhyncoside D
Peak:m/z	Relative Intensity
55.01863	0.6
55.84044	0.5
57.03447	3.8
59.01377	100.0
60.01714	1.5
61.01789	0.6
62.95581	0.5
63.25000	0.5
68.99823	1.2
69.78760	2.1
69.79166	1.3
71.01382	11.4
72.99309	3.0
73.02946	2.2
75.00872	8.0
79.84663	0.5
83.01385	0.7
83.05054	0.7
85.02946	10.7
87.00887	5.0
88.98830	0.8
89.02420	3.6
93.03481	0.8
95.01377	3.9
97.02988	0.7
98.20667	0.6
99.00874	5.1
99.04521	2.0
101.02427	2.6
106.36346	0.5
109.06527	0.5
111.00883	0.6
113.02452	12.7
115.00375	1.7
117.01943	0.9
119.03522	0.6
119.08643	0.6
121.02912	0.6
125.02446	0.6
129.01947	1.1
131.03502	1.0
131.44699	0.5
135.08186	0.6
137.09702	5.1
153.09172	1.6
157.01453	0.9
161.04565	1.2
161.09656	0.9
163.07649	1.3
175.02457	1.1
179.10753	2.3
181.08667	3.0
184.21230	0.5
197.11844	2.9
223.09814	1.3
231.04915	0.9
239.01556	0.5
241.10724	0.8
249.03761	1.0
249.06128	10.3
267.07214	8.2
315.14496	2.9
329.13937	1.2
363.02112	0.6
371.20490	0.8
429.17313	1.6
431.15634	2.3
431.22830	1.2
473.16788	2.7
491.17694	94.5
492.18094	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	491.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83485	0.3
55.01876	1.4
59.01382	4.1
60.58102	0.3
63.20243	0.3
71.01382	3.5
72.99324	0.6
73.02948	5.5
75.00874	3.7
85.02966	0.4
87.00905	1.7
89.02441	15.8
101.02447	0.5
103.03997	1.1
126.68156	0.4
130.99854	1.1
131.03511	7.6
135.02956	0.8
149.04553	100.0
150.04886	1.4
272.40613	0.3
339.22134	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1403
Annotation	Pregnenolone-3,21-disulfate
Peak:m/z	Relative Intensity
57.03435	1.0
59.01114	1.4
59.01379	20.2
61.24464	0.8
61.98809	1.8
67.01888	4.5
68.99802	2.3
69.03429	2.3
71.01376	16.3
71.52182	1.3
72.99303	5.2
73.02935	2.8
75.00872	15.5
81.03444	1.1
83.01365	2.9
85.02950	17.7
87.00890	4.9
87.01424	0.9
88.98800	2.2
89.02443	6.6
93.03442	1.6
95.01378	6.9
96.95985	3.4
99.00877	9.7
101.02429	3.1
101.74114	1.0
103.00347	1.6
107.01371	3.1
108.02151	11.0
109.02929	1.4
111.00904	5.0
113.02448	20.4
115.00346	1.4
117.01911	3.1
121.02925	1.1
123.00877	3.4
123.04522	37.9
125.02413	1.7
126.66045	0.8
129.01906	1.8
134.03696	1.0
135.04558	1.1
137.02405	3.4
138.03239	2.2
139.00348	3.7
151.00316	1.3
152.01105	2.6
153.01903	2.6
161.04443	1.4
166.02708	2.5
167.03493	15.9
175.02448	2.9
179.03360	1.1
182.05852	2.0
189.04050	1.5
209.04329	1.1
227.05556	3.5
231.04999	2.8
241.07156	24.2
242.07472	1.4
249.06137	47.0
250.06474	1.6
251.05537	1.0
301.09155	1.2
327.75510	1.1
399.09296	0.9
415.37607	1.1
417.10254	3.0
459.11545	1.6
473.13107	2.6
491.13953	100.0
492.14182	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	491.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87410	0.8
55.01875	1.6
57.03438	4.9
59.01376	72.9
59.63366	0.7
60.01702	1.0
61.98828	8.6
69.03452	1.3
70.54521	1.6
71.01375	20.1
71.05016	1.1
72.99297	3.9
73.02936	3.4
75.00864	16.2
75.98071	0.8
83.01389	3.4
85.02451	1.7
85.02945	22.0
87.00866	5.4
89.02447	7.1
93.03455	2.5
93.31783	0.8
95.01379	2.6
96.96019	1.1
97.02925	1.3
99.00871	6.1
99.04491	1.0
101.02438	11.9
105.99209	0.8
109.02941	5.4
111.00880	1.9
113.02448	19.5
115.00390	1.6
116.92848	1.2
119.03474	2.4
121.02962	7.8
121.06606	1.1
125.02441	1.3
129.01912	3.0
130.50885	0.8
131.03548	0.8
135.04439	1.1
137.02441	4.9
151.00333	1.1
153.01921	3.5
154.55875	0.9
161.04543	3.0
165.01929	1.5
175.02498	2.1
183.13951	1.8
188.96559	0.8
249.05922	0.9
255.02954	15.6
256.03577	1.7
271.02548	0.9
272.06897	0.9
283.02466	8.9
284.03226	54.3
285.03754	2.9
287.09174	6.8
299.05582	100.0
300.05872	4.7
313.03497	1.4
341.06512	1.8
369.08060	1.1
371.09732	6.7
373.25888	1.7
389.21579	1.3
413.25272	1.1
416.07599	3.9
431.09821	5.1
431.22079	2.6
431.27481	5.8
447.22650	1.6
449.27649	5.2
490.18457	0.8
490.26962	1.4
491.12198	7.6
491.21347	54.6
491.28345	8.9
492.21683	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	489.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	84.8
61.98834	55.5
69.70004	18.9
69.70396	56.4
71.01386	61.5
71.01725	9.5
82.90825	10.0
87.00886	16.0
89.02440	51.2
93.62262	9.2
101.02468	25.7
110.47647	9.5
111.08158	10.1
139.09544	9.6
153.54768	11.2
179.05573	16.9
197.11864	57.5
209.27258	11.8
211.13385	10.6
223.80969	10.0
250.13582	10.4
285.03983	12.4
309.10056	11.4
309.20709	100.0
328.04916	17.1
489.10382	15.0
508.48734	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	491.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	15.2
61.98831	1.9
62.11000	0.2
69.23057	2.6
71.01373	1.0
84.74200	0.3
89.02426	0.6
96.95987	1.0
99.99908	0.3
101.02483	0.4
107.01357	0.3
108.02167	0.3
121.02929	0.3
123.12446	0.3
124.52216	0.3
128.09029	0.3
135.03107	0.3
140.01289	0.3
151.00328	0.6
152.01205	0.3
160.01605	0.9
161.02426	2.2
169.02724	0.3
183.04419	0.6
183.13802	0.3
185.02446	0.6
187.00356	0.2
198.03177	2.5
199.03969	1.1
199.89143	0.3
200.01068	0.5
201.01891	0.8
202.02693	1.9
203.03441	0.6
214.02725	0.6
215.03500	0.8
225.01973	1.0
226.02705	9.9
227.03447	6.0
229.01233	0.3
239.03523	0.4
242.02155	2.5
243.02939	11.2
244.03316	0.5
253.01494	2.0
255.02858	0.5
270.01669	9.3
271.02454	14.9
272.02905	0.5
274.00986	0.4
281.04376	0.4
282.05350	0.6
284.03146	2.0
285.04016	17.8
286.04382	0.6
299.01941	16.4
300.02454	1.4
309.03976	0.6
312.02805	1.8
313.03503	34.7
314.04169	6.8
315.04929	1.4
327.05099	1.3
328.02209	1.0
328.05795	6.7
329.06534	4.4
341.03149	0.5
341.13873	0.5
343.04532	3.2
396.44769	0.3
429.17657	0.3
461.07211	21.2
462.07385	1.3
475.08856	0.5
476.09561	14.0
477.09894	1.2
491.11893	100.0
492.12158	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	489.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52755	6.7
59.01375	84.4
61.98828	52.8
71.01379	62.5
71.44460	10.2
89.02447	87.1
95.15463	5.6
101.02423	31.3
103.92027	8.7
111.08131	14.5
113.02466	22.6
114.01566	6.8
119.03490	11.6
129.74377	6.2
135.29715	6.3
138.01880	6.6
169.51144	6.3
179.05571	21.5
197.11836	64.1
263.37784	5.7
285.03897	7.8
291.19656	9.4
309.10309	6.4
309.20654	100.0
328.04828	16.0
441.29575	5.9
472.27097	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	489.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20713	0.4
55.01864	0.6
57.03431	0.9
57.81800	0.4
59.01376	24.4
59.82536	0.4
61.98819	2.5
68.62668	0.4
69.03452	0.6
69.13129	0.6
71.01377	7.5
71.53329	0.4
72.73612	0.5
72.99319	0.8
73.02955	2.3
74.36433	0.4
81.03489	0.5
82.44694	0.5
83.01389	1.6
83.05016	0.6
85.02950	5.0
87.00874	0.8
88.98810	0.5
89.02451	3.0
91.00185	0.5
95.01373	0.8
97.02953	0.7
97.06573	1.4
99.00888	1.0
99.04450	0.5
101.02440	3.5
113.02440	3.1
119.03493	0.9
125.09707	1.7
127.07588	0.5
127.11246	1.7
129.09195	0.5
137.09691	0.8
148.04018	0.5
155.10780	8.1
165.12825	1.6
167.14485	0.6
171.10257	12.1
181.12267	0.8
183.13855	1.5
185.11858	1.3
195.13911	0.6
197.11787	1.4
199.13341	0.5
207.10271	0.6
209.11829	2.1
211.13403	9.0
221.11844	0.7
225.11270	1.3
225.14977	0.5
227.12915	0.9
229.14424	22.1
230.14726	0.7
235.13589	0.5
239.12889	0.7
247.20857	1.0
257.13864	0.9
267.16202	0.6
270.05267	0.6
283.10880	0.8
284.03262	1.3
285.04166	1.0
285.07620	0.9
291.19635	4.6
309.20700	5.2
311.22244	1.6
327.21765	7.7
391.19675	2.0
429.24911	1.5
434.88724	0.5
447.25961	0.9
471.25540	0.5
489.27017	100.0
490.27371	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	489.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
55.77242	0.5
57.03443	1.5
59.01377	41.4
59.54335	0.4
60.01702	0.6
61.98825	2.8
63.62581	0.6
67.56948	0.4
69.03455	0.5
71.01375	8.5
71.53944	0.7
72.99326	1.0
73.02940	2.4
75.00880	0.6
75.23170	0.5
83.01393	1.1
83.05022	0.5
85.02942	4.4
87.00898	0.9
89.02442	3.3
94.56612	0.5
97.06599	1.1
99.00883	1.0
101.02455	4.9
111.00867	0.6
113.02474	2.8
113.90160	0.5
115.07626	0.5
119.03543	0.8
125.09704	1.4
127.11295	1.5
129.01962	0.8
129.09258	0.8
148.04063	0.6
155.10780	6.2
159.56197	0.5
161.74838	0.6
163.11211	0.7
165.12769	1.0
167.14352	0.6
171.10274	10.5
181.12373	0.8
183.13899	1.2
185.11890	1.0
191.91547	0.5
193.97800	0.7
197.11865	1.0
209.11790	1.9
211.13391	9.9
211.15370	0.6
221.11839	0.6
225.11346	1.2
227.12856	1.4
229.14429	20.2
230.14717	0.8
247.20564	0.7
257.13870	1.1
263.07843	0.6
284.03467	0.9
285.03964	1.4
285.07529	1.0
291.19620	5.6
309.20706	4.5
311.22269	1.0
327.21738	6.4
391.19739	2.1
429.24896	4.0
447.25830	1.8
489.27017	100.0
490.27533	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	489.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.9
57.03447	82.4
59.01378	100.0
61.98822	4.2
65.17077	1.0
69.23658	9.0
71.01378	27.2
73.02946	8.0
75.00851	1.2
75.32763	1.0
81.03455	1.5
83.01379	3.9
85.02941	11.7
87.00893	1.4
87.40248	1.1
88.98811	2.2
89.02441	7.4
95.01375	2.9
95.02767	0.9
97.02906	1.0
98.19892	1.8
99.00881	4.5
99.04515	78.8
100.04818	1.5
101.02437	39.1
113.02449	12.9
119.03497	2.0
125.02440	33.3
126.02816	1.1
127.03808	1.0
137.02446	1.4
143.03468	4.1
159.02963	2.0
161.04578	9.1
165.12831	6.5
183.14084	1.0
195.13791	2.3
205.45609	0.9
225.05569	8.8
226.06310	2.3
241.08681	21.5
284.03290	3.6
284.06265	1.2
285.03912	3.1
285.07611	1.9
325.07050	1.0
327.18240	7.8
327.21716	1.3
345.19168	49.6
346.19385	3.2
366.94592	1.0
387.20157	13.6
427.23370	2.5
429.24899	1.7
489.10263	3.9
489.22662	15.7
490.24158	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.27
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	33.7
61.98827	12.6
69.60047	33.8
71.01370	34.5
89.02438	32.7
98.19986	8.0
98.20527	10.0
101.02419	7.4
111.08179	10.2
113.02405	8.5
179.05603	7.8
183.75639	7.0
291.19632	100.0
292.20102	6.7
308.28171	5.2
464.16125	5.5
489.35648	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	489.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29694	0.6
55.51515	0.8
57.03445	13.9
59.01377	41.0
61.98828	5.0
61.99104	0.9
69.52499	3.1
69.52920	1.7
71.01379	10.2
72.04199	0.6
72.32688	0.7
72.99308	0.8
73.02936	2.3
75.00888	0.6
83.01373	0.9
84.42327	0.6
84.44970	0.7
85.02949	4.3
87.00851	1.8
88.98834	0.8
89.02440	4.1
99.00867	0.8
99.04516	14.5
101.02447	10.2
113.02457	4.2
119.03470	1.5
119.04959	0.7
125.02445	7.8
137.93866	0.7
143.03493	1.6
145.40794	0.8
147.48581	0.6
150.50856	0.7
161.04521	2.0
165.12837	1.9
181.06642	1.8
197.05937	1.0
198.06897	1.5
210.82751	0.7
225.05548	40.3
226.06267	8.0
241.08693	100.0
242.09070	5.1
255.06653	1.9
265.14362	0.9
268.96445	0.6
270.05273	0.8
284.03241	2.1
285.00482	0.6
285.04080	3.1
285.07742	2.3
285.11151	1.3
294.37250	0.7
327.21802	2.9
345.19131	7.8
371.24579	1.4
387.20242	2.8
388.29211	0.8
429.25153	1.7
445.15143	1.3
447.26224	0.8
489.10596	3.5
489.22598	2.1
489.28220	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	489.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64231	0.3
57.03445	1.9
59.01379	1.8
71.01375	6.0
71.05015	2.8
72.99300	1.7
73.02939	1.3
73.06596	0.8
83.05035	0.6
85.02939	8.6
87.00868	2.4
87.01317	0.3
89.02451	1.2
98.19930	0.9
99.04531	0.6
101.02438	6.1
101.06075	10.0
103.04015	1.7
109.75023	0.4
115.00362	1.4
119.03469	0.5
129.01950	1.4
133.05058	2.3
145.06120	0.4
146.04582	1.4
147.03018	6.8
147.06624	100.0
148.06976	1.2
163.04060	0.5
165.04054	0.4
179.05586	0.7
191.05588	8.1
207.55289	0.3
212.87622	0.4
229.39574	0.4
234.15735	0.4
335.54279	0.4
341.10669	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	489.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.5
57.03448	5.4
58.00579	1.1
59.01377	68.8
61.98825	6.8
62.99710	0.8
67.01891	0.9
68.99776	1.2
69.03445	1.7
69.73533	4.2
71.01379	36.7
72.99310	8.2
73.02946	11.3
75.00870	29.3
75.06652	1.0
78.18813	0.9
81.03445	1.6
83.01387	7.7
84.02179	1.2
85.01189	0.8
85.02946	30.3
87.00883	7.9
89.02445	10.9
93.46719	0.9
95.01391	5.6
96.96014	2.6
97.02956	3.2
98.20682	1.2
99.00874	10.2
99.04486	1.6
101.02444	16.4
103.00373	2.6
108.02154	1.1
112.01637	1.0
113.02447	32.8
115.00350	2.7
117.01944	2.0
119.03447	1.6
119.04974	0.8
125.02448	1.9
129.01913	2.0
131.03508	7.0
133.02866	1.1
149.04576	0.9
157.01428	1.3
161.04512	3.7
173.04581	4.6
175.02496	5.4
175.03772	1.2
179.05627	1.6
191.05620	1.4
193.01666	0.8
193.03500	22.7
211.03928	1.2
225.14880	1.1
235.04576	11.3
251.03412	1.3
252.04285	5.9
267.06625	2.8
268.03754	3.1
270.05341	10.9
283.06039	11.9
284.03238	11.3
284.06201	1.4
285.04010	21.8
285.07629	11.8
327.21606	1.3
337.07693	6.4
355.08932	1.8
429.17163	1.2
429.25684	1.1
489.10486	13.1
489.19772	100.0
489.26657	8.4
490.10727	1.4
490.20108	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.9
61.98821	1.4
62.09055	0.2
66.69379	0.2
71.01389	1.3
71.53883	0.4
73.02939	0.6
75.00859	0.5
78.95895	0.3
83.01372	0.3
85.02927	0.7
87.00858	0.2
89.02426	0.4
89.48696	0.2
93.82934	0.2
96.96006	0.7
101.02418	0.6
104.26245	0.2
112.40192	0.2
113.02460	0.5
119.05057	0.5
121.06542	0.3
123.08195	0.3
125.02517	0.3
130.39272	0.2
135.03001	1.8
149.06104	0.2
152.99619	0.3
153.09230	1.0
161.04599	0.3
163.04022	0.4
163.11194	0.2
165.09198	0.3
167.03458	0.3
173.48990	0.2
175.11259	0.7
177.12852	3.5
187.11273	1.2
188.08409	1.0
189.09145	1.9
203.05598	1.0
203.10796	3.6
205.12320	100.0
206.12662	3.9
209.11826	0.8
211.07602	0.9
240.71109	0.2
258.47034	0.3
285.03955	0.5
375.49939	0.3
400.18225	0.3
409.18613	2.3
487.19937	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98421	0.3
59.01367	0.3
59.38885	0.4
61.98829	100.0
71.52940	0.6
86.79948	0.4
149.07980	0.3
168.09134	0.3
172.87709	0.4
253.03975	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1033
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
57.03428	0.3
59.01374	6.3
60.08821	0.2
61.98806	0.3
62.50541	0.3
63.02399	0.6
63.03975	0.3
65.00334	0.7
69.38730	0.9
69.39137	0.9
75.00866	0.7
83.01373	0.4
93.03455	1.0
96.42983	0.2
96.95983	0.4
98.19804	0.4
101.02409	0.3
107.01385	2.4
108.02177	0.3
109.02933	0.4
112.26868	0.2
113.02524	0.3
132.02118	1.5
133.02948	0.6
135.00864	1.7
143.05017	1.1
145.02997	0.3
149.02490	0.3
151.00360	2.2
152.01088	0.3
153.01891	0.3
155.05006	0.4
157.06483	0.6
159.04443	1.2
163.00366	1.5
164.01202	0.5
165.01906	0.3
167.05034	0.3
169.06587	0.4
171.04494	0.5
179.05560	0.5
183.04483	1.0
184.05249	0.4
185.02466	0.5
185.06020	1.5
187.04004	2.3
189.05618	0.5
195.04527	0.5
197.06087	0.8
199.03932	1.3
200.04832	0.3
201.05519	0.6
207.99986	0.3
211.03992	2.5
212.04790	0.3
213.05516	1.2
214.02687	0.4
223.04008	0.4
227.03470	28.6
228.03853	1.2
229.05019	7.9
230.05315	0.4
239.03447	1.5
240.04230	0.7
241.05080	1.2
255.02960	56.2
256.03555	5.2
257.04510	4.8
261.08643	0.3
267.02927	0.5
283.02454	0.9
284.03229	83.1
285.03992	100.0
286.04382	4.7
327.05017	0.8
429.08347	0.3
489.10315	51.1
490.10550	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	487.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23738	0.6
59.01374	4.7
61.98822	2.4
66.55023	0.6
71.01374	3.8
72.99313	0.8
73.02944	2.5
75.00868	4.9
80.91686	1.5
81.03460	2.4
85.02956	2.6
87.00864	1.2
89.02441	1.5
93.03438	0.7
95.01363	0.7
96.96008	1.1
97.02950	0.9
99.00889	1.4
99.04520	1.3
99.92654	0.6
101.02459	1.4
113.02474	2.5
117.03447	0.7
119.05022	100.0
120.05372	1.8
125.02462	2.2
134.03760	1.9
135.04562	0.8
136.07671	1.3
143.03517	1.7
145.02956	2.0
148.05351	2.8
149.06055	1.0
161.04533	4.9
163.03999	97.5
163.07607	3.6
164.04341	2.2
175.04013	2.0
176.04790	0.8
179.05600	1.6
179.08247	1.3
193.05029	1.3
210.05670	0.5
230.05809	1.1
233.08411	0.9
235.06198	0.8
245.08191	1.9
262.63916	0.6
263.09253	3.1
277.07312	0.6
289.07263	0.7
307.08163	2.3
325.09256	9.4
337.56781	0.6
341.10806	0.7
394.16028	0.7
397.39560	0.7
425.09064	0.6
425.14709	2.1
469.13330	1.2
487.14572	34.6
488.14847	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80118	1.6
53.60180	1.4
57.98732	1.5
58.55297	1.4
59.01378	100.0
61.98828	22.3
71.01372	7.0
73.02930	2.0
85.02937	4.3
89.02426	1.6
98.19915	4.7
101.02421	5.0
113.02436	6.7
114.98565	2.8
117.27066	1.7
161.04486	1.9
221.04570	1.6
241.14648	1.5
487.25665	3.0
487.33035	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01705	0.7
61.98835	1.2
69.39687	1.9
69.52171	0.4
71.01385	2.2
73.02943	0.6
75.00883	0.5
84.44003	0.4
89.02466	0.4
96.96008	7.3
96.96997	0.7
98.89259	0.3
99.04516	0.4
100.63960	0.3
101.02440	1.0
113.02457	0.8
119.03436	0.4
178.02782	0.4
184.39226	0.3
203.05605	0.7
205.12361	1.7
487.25183	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27933	0.7
52.41111	0.7
59.01381	3.7
69.03423	0.8
70.20302	0.7
71.01037	1.4
71.01370	6.9
71.05003	4.7
72.99301	2.6
73.02942	3.7
74.10371	0.7
75.00471	1.3
75.00868	19.7
81.03451	10.3
85.02940	0.8
87.00879	1.8
96.96056	0.8
97.02955	3.8
99.00880	5.3
99.04515	2.3
112.01733	0.8
116.92857	0.9
119.05022	100.0
120.05338	1.9
125.02445	9.2
142.84601	0.8
143.03493	10.0
145.02924	8.9
161.04541	26.2
163.04001	90.9
164.04303	1.7
177.16522	0.8
179.05577	7.4
200.34869	0.8
241.37689	0.7
307.08170	7.1
325.09180	8.0
373.05475	0.8
487.14557	89.8
488.14999	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	487.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01497	0.5
59.01379	7.7
65.61992	0.6
69.03451	0.8
69.61131	1.7
69.61533	2.3
70.01668	0.6
71.01378	8.8
71.05019	4.4
72.99313	3.0
73.02935	4.8
75.00869	22.1
78.91895	0.9
81.03445	10.0
85.02944	1.8
87.00869	1.4
87.04549	0.8
89.02467	0.8
93.03446	0.9
96.95999	1.9
97.02943	3.0
99.00871	4.4
99.04526	3.7
113.02454	0.8
119.05021	100.0
120.05348	2.4
125.02422	8.6
133.06548	0.6
143.03488	12.2
145.02942	2.4
161.04546	41.5
162.04819	0.7
163.04001	98.1
164.04333	3.1
179.05586	3.8
203.03717	0.6
234.15070	0.6
302.70578	0.7
307.08215	2.4
323.09656	0.7
325.09174	5.3
341.11044	1.3
476.43530	0.7
487.14566	74.9
488.14825	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	487.1241
Annotation	Acacetin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
50.11022	0.6
55.66888	0.7
57.01573	0.8
58.08000	0.7
58.78729	0.6
59.01377	25.2
59.73075	0.7
60.20852	0.6
61.98829	6.8
63.02392	1.0
68.10097	0.6
69.25316	5.9
71.01374	4.1
73.02940	1.9
74.61768	0.7
83.01363	1.0
83.05030	0.8
85.02918	1.7
89.02426	1.3
101.02425	2.9
107.01392	0.8
109.14109	0.7
113.02477	1.4
119.46623	0.6
119.63987	0.7
121.03042	0.6
133.06610	0.8
151.00345	1.7
161.04507	1.2
170.74539	0.7
189.01950	0.7
196.05313	1.9
211.04022	0.9
224.04739	2.8
239.03438	1.9
239.07109	10.8
240.04192	2.2
240.07375	1.1
247.17027	0.9
265.18179	1.6
267.03015	1.2
267.06403	0.7
267.22598	0.7
268.03738	76.7
269.04022	2.6
281.04465	2.5
283.06079	100.0
284.03430	1.4
284.06271	5.2
290.05701	0.8
299.05591	1.3
305.04120	0.7
325.07086	1.8
325.20187	0.9
399.82031	0.7
427.23218	1.3
487.25671	8.4
488.26016	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87472	0.5
51.11755	0.6
60.60971	0.5
61.98800	1.0
65.44752	0.6
67.97948	0.6
70.35452	1.3
79.44740	0.6
88.04038	55.1
94.91702	0.6
105.76099	0.7
147.08154	1.8
149.09685	1.0
161.09724	1.5
163.11256	3.0
186.68340	0.6
187.11292	2.8
196.85986	0.7
279.13919	1.2
280.14487	0.8
309.22260	1.7
321.18378	1.1
337.21725	100.0
338.21948	5.6
486.19846	1.2
486.26926	18.6
487.27078	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1245
Annotation	Acacetin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
52.95724	0.2
58.51398	0.2
59.01378	4.9
61.98831	2.4
65.00291	0.9
68.85081	0.2
71.01351	0.9
72.84592	0.2
85.02913	0.7
89.00330	0.2
89.02409	0.3
91.01882	0.3
96.95965	0.3
97.02947	1.0
101.02398	0.6
104.04930	0.2
113.02424	0.7
117.03414	0.4
121.02950	0.4
132.02173	1.9
132.80406	0.2
135.00824	0.5
147.00749	0.2
149.99586	0.3
151.00430	0.2
161.04547	0.2
165.01936	6.4
167.05014	0.3
183.04518	0.5
184.05382	0.3
190.02734	0.3
195.04500	1.4
196.05257	0.6
201.17366	0.2
206.46906	0.2
211.04019	2.9
212.04637	0.7
223.04012	2.0
224.04788	1.6
226.02628	0.9
238.02782	0.3
239.03477	8.7
240.04196	2.3
241.04840	0.2
253.05002	0.7
267.02963	8.3
268.03745	52.3
269.04086	1.9
281.04620	0.5
282.05313	6.1
283.06100	100.0
284.06412	4.3
284.11081	0.3
343.28534	0.3
427.10327	1.1
460.17664	0.2
487.12424	4.2
487.25537	0.3
487.33282	1.0
488.12943	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	51.1
61.98828	30.5
71.01381	15.3
71.53990	3.8
73.02945	9.6
75.00877	2.8
81.76945	1.8
83.01386	3.4
85.02960	10.9
87.00869	2.5
89.02466	3.3
96.90367	1.9
97.20057	2.0
99.00875	3.8
99.04517	3.1
101.02440	8.8
113.02430	9.4
119.03556	2.3
149.17477	2.3
225.45990	2.7
258.21115	2.7
263.16443	10.5
264.16504	2.0
285.04120	2.3
287.22263	100.0
288.22641	3.9
349.70804	2.2
371.08881	2.0
382.72504	2.3
419.97726	2.4
437.79984	2.3
438.73969	2.3
441.86514	2.4
449.27634	11.6
485.24323	45.9
485.31570	3.8
485.34088	2.2
485.74002	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	484.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.5
60.03216	0.3
61.98829	100.0
70.35752	0.8
71.01396	0.4
73.05286	0.3
77.30975	0.2
96.95964	0.3
109.30019	0.2
113.62634	0.3
138.83633	0.2
170.02116	0.2
176.42065	0.2
224.79660	0.2
286.04288	0.2
323.41013	0.2
337.06284	0.3
350.08688	0.3
396.12924	0.3
424.21967	0.3
473.57135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.1
58.49081	0.7
59.01379	36.8
61.36313	0.9
61.98816	1.4
63.28646	0.9
68.99809	2.2
70.46887	2.6
70.53180	0.7
71.01373	15.9
72.99290	1.7
73.02943	5.3
75.00871	7.6
82.42046	0.7
83.01377	1.7
83.05061	0.8
85.02464	1.2
85.02950	18.2
86.03275	1.2
87.00874	3.1
89.02438	3.1
95.01368	3.4
97.02956	1.0
98.19924	0.8
99.00884	5.4
101.02438	8.2
102.06007	0.8
113.02457	9.1
115.00350	1.0
115.04013	1.7
119.03508	2.2
129.68353	0.8
131.03488	2.3
143.03470	1.9
161.04547	0.9
163.06065	2.1
169.96271	1.0
171.10263	0.9
177.12088	0.9
205.07140	1.6
209.11638	0.8
321.04733	1.0
363.53152	0.9
381.20828	1.0
412.20844	1.2
439.32123	1.2
454.23965	1.2
469.33072	5.7
476.23184	5.8
476.73593	3.1
484.73196	1.6
485.23904	100.0
485.74115	36.0
486.24304	4.6
487.34314	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	483.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50153	0.4
64.69677	0.5
66.33778	0.4
70.26641	1.2
70.26990	0.9
73.15080	0.5
77.38538	0.4
78.95905	16.3
85.60526	0.5
96.20869	0.5
96.96959	1.7
127.55257	0.5
150.98029	0.6
152.99577	26.7
158.81508	0.4
171.00662	1.2
227.03252	4.7
245.04286	1.0
255.23274	100.0
256.23639	3.9
265.59802	0.5
326.74890	0.5
391.22430	0.6
410.71902	0.4
483.27258	66.8
484.27591	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	483.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24080	0.3
71.52618	0.4
78.95901	6.9
80.98619	0.3
84.80190	0.2
88.94725	0.3
89.28210	0.3
92.17864	0.3
94.15751	0.3
96.96968	0.6
100.25960	0.2
101.04485	0.3
152.99582	16.1
155.99663	0.3
157.62433	0.3
171.00687	0.7
190.78777	0.3
227.03244	3.2
229.88969	0.3
245.04256	1.5
255.23270	100.0
256.23596	4.2
302.08368	0.3
360.82489	0.3
483.27255	38.2
484.27518	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	483.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98828	5.2
71.01373	3.4
107.37024	0.8
121.02948	1.0
164.41435	1.0
179.07158	1.3
205.29141	0.9
285.03702	0.9
370.78986	0.9
447.09515	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
57.03450	3.7
59.01378	9.1
61.98819	0.9
69.03423	0.6
69.55377	3.4
71.01382	15.5
72.99294	2.8
73.02939	2.6
75.00870	19.4
83.01398	2.8
85.02945	20.8
85.17336	0.4
86.00099	0.5
87.00879	5.4
89.02438	2.4
95.01380	3.3
96.96012	1.7
97.02982	0.7
99.00884	6.8
101.02442	5.6
111.00868	1.1
112.01627	0.6
113.02450	20.4
115.00372	1.5
116.01128	0.5
117.01943	1.0
125.00328	0.5
125.02457	0.9
129.01936	0.5
157.01471	0.7
159.02922	0.7
161.04530	1.1
173.04582	0.6
175.02438	1.9
178.08788	0.6
191.34079	0.5
222.70952	0.5
292.19589	0.5
307.17676	1.2
362.42307	0.5
423.18817	0.6
446.22583	0.5
465.19434	1.0
483.20801	100.0
484.21194	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	483.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93470	1.2
59.01353	2.6
61.98832	5.9
71.01379	1.7
73.02959	0.9
75.30055	1.0
85.02978	1.3
96.95995	1.1
98.20711	2.0
107.01379	2.5
108.02137	1.8
109.02912	1.4
109.76433	1.0
118.09119	1.0
121.02959	2.6
125.02452	1.5
135.00929	1.2
151.00377	10.2
163.00337	2.7
178.99872	5.3
191.66930	0.9
227.03339	1.5
229.04770	1.2
229.17989	1.3
243.02919	4.8
245.04523	2.5
254.02370	1.4
255.02937	15.6
266.12921	1.1
271.02454	29.7
272.02863	1.4
283.02350	1.8
283.53516	1.3
284.03067	1.4
285.04126	5.6
285.07446	1.3
300.02734	64.5
301.03503	45.2
301.06909	2.4
302.03958	2.9
349.01300	1.7
363.65833	1.1
447.09268	100.0
448.09686	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	483.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03407	0.9
61.98800	1.0
66.55687	0.9
69.17509	8.9
74.91280	0.9
92.39764	0.8
98.19949	1.9
107.01403	1.3
129.98442	0.9
133.02927	1.9
145.04529	0.9
151.00352	2.6
180.63202	0.9
256.03720	2.1
279.04843	1.2
284.03253	45.1
285.04028	100.0
286.04333	4.4
447.09283	96.9
448.09689	5.5
483.19321	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01531	0.4
54.34407	0.4
59.01377	100.0
59.12720	0.4
61.98831	2.1
62.51287	0.4
64.52263	0.4
68.27482	0.4
69.71901	1.5
69.72318	1.0
69.92896	0.4
71.01382	2.7
73.02936	0.6
85.02988	0.8
85.84293	0.4
88.48388	0.4
92.45527	0.5
99.00906	0.4
101.02436	1.5
113.02459	0.7
137.13844	0.6
139.58418	0.4
263.96991	0.4
279.46228	0.5
284.03348	0.9
285.04102	1.8
381.12442	0.5
423.22565	1.1
447.09427	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	481.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46286	1.0
56.53831	1.1
71.29375	1.5
71.29723	1.6
73.05687	1.0
78.95901	52.1
89.77590	0.9
96.96942	3.9
150.43929	1.1
152.99577	85.6
153.99751	1.2
171.00633	14.1
205.51299	0.9
227.03265	8.1
245.04294	64.1
253.21707	45.2
254.22018	2.3
272.81674	1.2
332.68158	1.1
373.85724	1.1
481.25671	100.0
482.25864	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36769	0.9
70.38156	3.4
71.13108	0.9
78.95901	43.1
96.96963	3.2
152.99579	63.3
171.00635	18.0
227.03268	2.9
245.04295	100.0
246.04648	1.7
253.21706	59.4
254.22084	2.6
321.32956	0.9
481.25717	50.0
482.26163	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	481.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89289	3.6
57.03442	9.6
59.01381	100.0
61.98830	45.9
64.89584	3.9
71.01379	72.7
71.53681	6.2
71.54094	4.8
72.99299	4.5
73.02950	18.8
74.86896	4.4
75.00864	6.1
83.01373	8.5
85.02956	45.2
85.82032	3.9
87.00871	8.8
89.02437	40.5
95.01418	7.3
98.70841	4.2
99.00891	8.0
100.65099	3.8
101.02440	64.1
109.02930	6.6
110.05816	3.9
113.02434	49.5
119.03510	15.9
125.02428	11.2
131.03496	22.5
137.02487	7.7
143.03481	6.3
149.04527	15.7
153.05507	6.8
157.44046	4.0
159.02977	4.8
161.04564	25.1
164.72383	3.8
179.05656	21.4
283.06116	9.8
369.22296	4.4
421.20786	92.5
421.27072	7.0
422.21103	4.5
481.20850	6.2
481.31772	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	481.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
70.75940	1.6
70.76289	2.0
78.95901	43.2
96.96950	4.0
102.79446	1.1
121.05527	0.9
152.99580	59.2
163.82140	1.0
170.99272	1.4
171.00647	19.0
174.29993	1.0
227.03227	3.3
245.04289	100.0
246.04655	1.9
253.21713	65.5
254.22050	2.8
481.25696	50.6
482.26297	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	481.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95891	0.7
57.03455	1.1
58.00605	1.7
59.01107	1.0
59.01380	11.6
60.85899	0.8
61.98824	3.5
64.87540	0.7
69.02689	0.7
70.80183	1.4
71.01380	8.5
72.99274	0.9
73.02969	1.8
75.00875	8.9
75.55520	0.7
80.02682	1.1
81.03470	0.9
82.02958	1.4
83.01385	1.4
83.05032	5.4
85.02961	3.0
87.00861	0.7
89.02448	5.0
93.03461	1.0
95.67481	0.7
96.96020	0.8
101.02441	7.5
107.01431	0.8
113.02437	4.4
114.73862	0.6
119.03489	1.8
119.05030	1.7
122.06152	1.0
122.98412	0.7
125.02435	3.2
125.09703	1.2
127.11275	1.7
128.03574	1.2
131.03381	0.7
135.03030	1.4
135.08192	0.8
137.02477	0.9
148.70393	0.8
155.10719	1.1
161.04570	2.7
163.04007	1.6
163.11273	3.0
164.03482	1.2
165.09258	1.1
165.12823	2.1
171.10172	1.6
179.05537	1.1
191.10770	1.2
193.01483	1.2
199.09784	1.0
201.11322	51.7
202.11647	1.8
209.11823	100.0
210.12186	3.1
227.10735	1.3
227.12889	19.2
253.09291	30.2
254.09529	1.0
287.10452	2.7
291.07700	0.9
301.06229	1.3
301.20270	1.3
319.07974	2.2
319.21408	1.3
331.09296	2.3
437.20114	3.6
449.12347	1.3
463.25458	1.2
464.82440	0.8
481.12354	1.4
481.18738	1.5
481.26498	13.8
481.30838	4.6
482.26709	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55169	0.8
55.01867	2.3
57.03440	2.4
58.00587	1.0
59.01379	45.2
61.98829	11.1
69.03449	1.0
70.35806	2.1
71.01379	41.6
72.99294	1.8
73.02942	11.2
81.03456	1.1
83.01373	5.8
85.02454	1.3
85.02945	16.7
87.00865	2.0
89.02439	22.5
90.68444	0.7
95.01367	1.8
97.02943	2.0
99.00865	4.4
101.02437	26.4
109.38762	0.8
111.00865	3.1
113.01723	1.1
113.02453	14.9
119.03437	0.9
119.04997	1.4
125.02419	4.1
129.01898	1.8
131.03490	11.8
143.03459	1.6
145.23933	0.9
149.04539	6.2
159.02948	1.2
161.04547	8.2
163.03957	0.9
173.43890	0.8
191.05536	1.3
199.53082	0.8
221.77974	0.8
233.06601	2.1
271.15308	0.9
284.95377	0.7
289.16544	19.9
290.17126	1.0
293.08743	1.6
293.36865	0.8
294.51126	0.8
312.71146	0.8
325.17456	0.8
421.20749	100.0
422.21249	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	481.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99101	1.2
55.01862	3.2
55.74656	1.5
57.03436	6.6
59.01378	24.0
61.98826	28.4
69.76662	8.4
71.01375	32.2
72.99309	2.9
73.02940	6.1
75.00870	23.9
83.01376	5.9
85.02953	34.2
87.00864	5.1
89.02425	4.6
95.01368	2.8
97.02905	1.7
99.00890	7.7
101.02438	14.9
113.01734	1.9
113.02454	27.0
125.02444	3.0
161.04523	3.4
175.02480	2.0
268.03748	3.5
283.06039	6.7
288.42938	1.5
398.35083	1.6
421.20859	15.2
421.26981	2.1
481.22879	100.0
482.22937	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	481.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76161	6.6
59.01377	100.0
61.98836	32.5
71.01379	15.6
71.53340	12.1
89.02433	7.7
109.02928	12.7
125.00686	5.7
144.99147	7.0
173.19882	7.2
181.58797	7.3
329.50488	7.1
481.12619	8.7
481.31757	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	481.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
57.03440	2.7
59.01378	13.5
69.03449	0.6
71.01378	17.5
71.01781	0.9
71.29197	0.8
72.99305	4.0
73.02921	1.2
73.99541	0.4
75.00866	19.0
83.01376	1.7
85.02946	19.3
87.00864	4.8
88.43279	0.4
89.02438	6.1
95.01367	2.3
99.00283	0.5
99.00880	6.5
101.02442	4.9
101.96526	0.4
103.00356	0.6
111.00851	0.5
112.01643	0.7
113.02441	19.5
115.00349	1.6
117.01931	1.3
119.03484	1.9
129.01930	1.0
131.03455	1.0
136.06276	0.4
155.03551	0.6
171.15251	0.5
173.04510	1.4
175.02458	2.2
287.53421	0.4
319.08182	0.6
370.32898	0.4
376.26654	0.4
463.18222	0.7
481.19220	100.0
482.19464	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
57.03450	3.6
58.00574	0.8
59.01374	17.9
68.99809	0.7
69.03462	0.8
71.01379	21.1
72.99306	4.8
73.02943	4.0
75.00871	24.1
83.01392	2.0
83.05002	0.6
85.01021	0.9
85.02948	21.9
87.00872	6.5
89.02438	8.3
93.03476	1.6
95.01369	3.1
97.02946	0.7
99.00876	6.5
101.02442	6.5
103.08627	0.6
109.02986	1.0
111.00860	0.9
111.04526	0.9
113.02443	19.5
115.00370	2.2
117.01925	1.7
119.03484	2.3
119.05022	2.6
121.02921	1.0
125.02445	4.2
129.01936	0.7
131.03523	1.5
137.02438	2.2
145.02957	1.8
149.04538	3.4
149.09642	0.9
151.00363	2.4
153.01921	1.0
155.03444	1.5
157.01421	0.6
162.05621	1.0
163.04019	2.5
165.01854	1.2
165.05658	0.7
166.02794	0.8
167.03471	1.6
167.10750	2.1
173.04529	1.8
175.02492	2.6
176.01126	1.1
178.99899	1.6
179.05717	0.9
191.03639	1.3
191.05441	0.5
193.01367	4.0
195.94974	0.6
223.61047	0.6
232.40935	0.6
255.02895	0.8
259.15500	0.9
269.66827	0.6
283.02533	1.3
301.03738	0.9
301.07150	2.3
319.08017	3.8
355.06766	1.1
376.86499	0.8
421.21060	4.6
463.08704	2.4
481.19205	100.0
482.19641	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	481.1347
Annotation	Catalposide
Peak:m/z	Relative Intensity
58.75861	1.2
59.01369	4.0
61.98819	2.5
65.03959	4.2
65.21163	1.2
68.39587	1.2
71.01368	3.6
71.29642	2.3
75.00865	18.0
81.03461	3.1
83.05005	4.8
85.02935	1.8
89.02455	3.2
93.03458	23.1
96.50594	1.4
100.04468	1.2
101.02432	3.2
108.02223	2.2
109.02943	38.2
111.04511	6.8
111.92223	1.2
112.58301	1.2
113.02463	2.1
119.05023	67.9
120.05316	1.9
121.02921	6.2
122.03748	3.9
123.00874	1.7
125.02404	2.2
135.00891	2.6
136.01654	2.9
137.02440	32.7
138.03250	9.8
145.02979	6.0
148.01657	25.5
150.03200	4.0
153.05595	6.7
155.03482	16.1
161.02470	1.5
163.04002	61.9
163.11194	1.4
164.04491	1.7
165.01917	29.9
165.04013	1.7
166.02631	4.1
167.03508	1.9
175.00325	2.2
176.01146	30.0
177.01823	5.4
187.02350	1.8
191.03482	35.2
194.02238	6.6
201.05618	2.1
201.11327	15.9
209.04594	6.3
209.11818	28.6
225.05565	1.9
227.12875	2.6
240.04260	5.0
241.04959	1.5
251.03479	2.9
253.09286	7.9
258.05112	2.0
268.03732	6.8
269.04526	9.6
283.06171	7.7
285.04089	4.5
286.04898	11.6
287.10129	1.8
301.07193	22.8
319.08191	100.0
320.08551	5.2
356.07025	1.3
358.22946	1.6
396.19714	1.3
463.12317	1.8
481.13464	99.9
481.30338	18.9
482.13657	7.9
501.88797	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1348
Annotation	(+)-4'-Methylgallocatechin 3'-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.11115	0.7
57.03444	1.9
59.01362	3.2
61.98822	0.9
65.00311	0.9
65.03942	1.0
65.63120	0.7
70.65900	1.5
71.01366	3.1
75.00859	2.8
81.52906	0.8
83.01392	1.3
85.02938	3.0
87.00894	0.9
88.98492	0.7
89.02436	2.2
93.03439	1.8
107.01381	1.8
108.02150	1.1
109.02946	13.8
111.04574	0.8
113.02452	2.4
119.03476	0.9
119.05031	1.9
121.02946	28.5
123.04477	2.8
125.02454	8.4
132.02176	0.9
133.02966	5.3
137.02432	5.3
147.00874	2.0
148.01663	31.4
149.02441	3.5
151.00362	7.8
152.01181	4.5
153.01947	3.8
155.03583	0.9
156.22394	0.7
161.02417	2.3
163.00339	0.8
163.03966	1.3
164.01134	2.6
165.01895	1.7
166.02754	1.0
167.03450	3.3
175.00366	8.7
176.01143	25.8
177.01912	12.3
178.99887	3.9
181.01425	2.4
183.04529	0.9
187.03981	1.2
191.03494	17.5
192.03889	0.9
193.01404	20.2
194.24632	0.7
201.05545	1.1
203.08359	1.1
215.03525	1.3
225.05624	1.4
227.03468	1.4
229.04919	1.1
240.04269	2.0
241.05051	4.0
242.05818	1.0
243.02960	1.2
251.03479	1.0
257.04556	3.6
258.05307	5.3
268.03705	3.2
269.04602	5.8
271.09689	2.3
283.02502	1.6
285.04007	0.8
286.04816	12.3
301.03842	5.1
301.07132	100.0
302.07452	5.4
319.04498	8.4
319.08148	8.7
341.05020	3.8
343.06558	0.8
421.20602	1.4
463.08972	3.3
481.13403	1.3
481.19379	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1349
Annotation	Buddlejoside B
Peak:m/z	Relative Intensity
59.01359	4.9
60.72119	1.1
61.98825	3.0
63.11341	1.1
65.03961	3.4
67.98545	1.3
69.81591	1.8
69.81986	3.2
71.01360	3.2
72.99288	2.2
75.00858	4.8
83.05016	3.1
85.02927	1.6
89.02447	2.4
93.03465	8.0
101.02445	1.9
109.02950	40.6
111.04486	3.2
119.03587	1.5
119.05023	22.2
120.64498	1.0
121.02923	8.2
122.03729	3.3
123.00871	1.2
123.04538	1.7
125.02457	3.0
129.58214	1.0
135.00946	2.2
136.01657	3.0
137.02434	23.2
138.03217	11.0
145.02937	2.1
148.00546	2.1
148.01660	22.4
150.03223	4.2
153.05591	7.2
155.03477	5.8
160.79030	1.1
161.02415	1.8
163.03995	20.4
165.01929	32.5
165.04051	1.9
165.05571	1.4
166.02678	3.4
167.03487	2.1
175.00378	3.1
176.01137	33.4
177.02037	6.1
191.03491	41.3
193.01563	1.4
194.02176	6.5
201.05835	1.2
201.11296	14.3
201.49252	1.2
209.04529	7.7
209.11841	24.2
212.04584	1.1
213.05365	1.1
225.05551	1.5
227.12878	5.3
240.04152	3.8
241.04997	2.0
251.03476	3.3
253.09283	6.3
258.05368	2.2
268.03690	8.2
269.04462	9.3
270.05017	1.3
283.06064	9.9
285.04092	5.4
286.04816	13.5
301.07166	27.0
302.07242	1.3
313.08459	1.1
319.08200	85.6
320.08591	3.4
443.77536	1.2
463.12311	2.3
481.13495	100.0
481.29956	4.6
482.13959	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	481.0982
Annotation	Ampelopsin 3'-glucoside
Peak:m/z	Relative Intensity
53.79840	1.4
54.28176	1.4
57.03441	14.0
59.01376	15.3
61.98812	5.7
63.02374	2.9
63.20948	1.4
64.61427	1.5
65.00307	3.8
70.05347	4.1
71.01389	8.4
72.99281	2.4
73.02922	2.5
75.00865	11.0
81.03464	2.1
83.01379	10.4
83.05003	1.2
85.02930	4.9
87.00835	1.4
89.02402	4.7
93.03445	3.4
95.01362	4.6
101.02409	4.7
107.01392	8.5
109.02945	16.2
111.00853	2.7
111.04499	1.6
113.02404	4.3
119.03486	1.4
119.05004	3.7
121.02918	4.2
122.03691	2.4
123.00860	8.0
123.04475	2.1
124.01623	6.3
125.02442	100.0
126.02788	2.5
135.04453	2.2
137.02435	24.2
138.03168	5.1
139.03979	8.4
147.00754	1.6
148.01619	4.8
149.02406	5.8
150.03157	4.9
151.00371	31.9
152.01164	8.8
153.00917	1.6
153.01933	19.9
153.05502	4.0
155.03415	4.5
161.02335	1.6
163.00328	2.6
163.03938	5.4
164.01135	2.7
165.01920	28.7
165.05489	5.6
166.02568	3.9
167.03494	20.8
173.02341	2.0
175.00266	5.5
176.01129	11.8
177.01955	7.9
178.99855	32.3
181.01370	2.5
187.03935	1.9
189.01796	1.6
190.02621	2.9
191.03502	26.3
192.00581	3.0
193.01401	94.2
194.01845	2.6
201.05566	3.2
203.03253	1.9
205.04948	3.8
209.04544	3.6
211.03914	2.4
213.05405	1.6
214.02568	2.1
215.03418	6.4
227.03415	4.9
229.04965	3.5
231.02888	2.8
232.03653	3.0
233.04556	9.2
235.02505	1.6
239.03392	3.0
255.02917	14.4
256.03522	4.1
257.04477	6.3
268.03644	2.4
269.04462	4.3
274.04626	2.0
275.05652	8.5
282.99426	2.2
283.02472	43.2
284.02951	3.4
286.04706	4.1
287.10229	2.1
291.05029	2.3
300.02533	2.2
301.03384	12.6
301.07092	10.9
301.10187	2.0
319.04474	4.8
319.08185	28.5
319.11639	2.9
327.07053	3.2
329.08606	2.3
337.05554	3.2
355.06656	40.0
363.12085	1.9
419.09360	1.7
421.20728	3.0
437.10498	4.1
449.61258	1.7
453.10318	7.3
462.00897	1.4
463.08795	76.1
464.08871	6.4
481.09659	76.4
481.18970	8.0
481.29642	1.8
482.09903	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	480.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	22.4
61.98827	100.0
63.42513	0.5
71.01370	3.9
71.29737	0.9
73.02949	3.4
75.00841	0.5
83.01390	1.3
85.02959	1.9
87.00867	0.6
89.02445	2.0
93.62981	0.6
98.19839	0.5
99.00896	1.6
101.02435	5.2
113.02457	2.6
119.03516	1.0
125.02460	0.9
143.03517	0.8
145.51549	0.6
149.04485	0.8
155.03442	0.7
161.04575	1.7
199.13396	1.1
200.13718	0.6
208.10535	0.7
211.17177	0.5
221.06711	0.6
225.11279	1.1
226.11740	1.6
228.44684	0.5
230.14828	1.0
257.08453	0.7
258.08578	0.7
331.10498	0.6
373.18784	1.9
479.32242	1.0
480.11230	0.7
480.21237	7.2
480.32608	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.5
59.01375	37.8
61.98826	100.0
71.01381	3.9
71.53542	0.4
73.02951	1.5
75.00876	1.1
79.64925	0.3
83.01401	0.7
85.02959	1.8
87.00901	0.5
88.98827	1.5
89.02460	1.2
99.00889	0.8
101.02428	3.5
113.02461	2.1
119.05011	0.4
125.02476	0.4
137.02483	0.4
159.02942	0.4
160.71170	0.4
161.04591	2.1
168.72510	0.3
185.15744	0.4
185.60187	0.3
188.81795	0.3
192.98720	0.3
209.11662	0.4
229.14389	0.4
256.03873	0.5
284.03235	10.3
285.03992	9.1
285.07114	0.6
286.04602	0.4
331.17575	5.4
342.07822	0.4
361.24255	0.3
373.18671	4.3
417.08228	18.4
418.08759	1.1
467.90009	0.4
479.32001	0.6
480.21609	1.3
480.26230	0.5
480.32095	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51360	0.3
53.44933	0.3
53.62257	0.3
54.61863	0.4
59.01376	100.0
59.95242	0.3
60.01713	0.4
61.98822	2.4
66.64360	0.3
71.01381	1.1
71.52755	0.5
73.02950	0.4
87.04509	5.0
89.02436	0.5
109.06630	0.4
148.45575	0.4
152.41806	0.3
171.10214	0.5
207.10300	1.2
225.11383	1.3
295.99255	0.3
316.02209	0.6
462.09534	0.4
479.21487	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17287	0.4
59.01380	3.7
61.98831	12.8
69.78101	2.6
75.00874	0.9
82.05695	0.5
88.98816	1.3
89.02424	0.9
107.01385	1.0
109.23219	0.5
112.13657	0.5
113.02450	0.7
125.02413	0.5
133.03018	1.3
142.17331	0.5
151.00385	1.3
175.03970	1.1
207.10201	0.6
211.03893	0.7
227.03442	0.6
255.02953	0.8
256.03748	2.3
284.03259	59.6
285.04016	44.6
286.04321	1.7
321.63660	0.6
327.04984	0.7
379.12708	0.5
417.08252	100.0
418.08640	5.7
480.21793	0.7
497.13080	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	29.9
59.31147	0.4
60.61408	0.4
61.98829	100.0
62.27822	0.4
66.69924	0.4
69.31537	3.4
71.01390	3.0
73.02936	1.1
75.00878	0.4
83.01403	0.4
85.02961	1.7
89.02464	2.0
101.01802	0.4
101.02464	1.6
113.02447	1.2
119.03519	0.5
137.02388	0.6
161.04582	1.2
185.11847	0.7
239.05795	0.4
272.22256	0.4
291.15536	0.5
331.17566	3.4
373.18716	3.8
436.23035	0.8
480.25430	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31551	1.2
57.03441	5.4
59.01365	4.8
61.98820	4.2
71.01391	1.6
78.95894	13.8
79.13475	1.1
81.98877	1.1
87.11482	1.4
103.09129	1.4
110.98509	12.4
113.09724	18.7
139.11293	2.4
153.95374	1.3
167.01141	5.6
167.10741	4.0
179.10736	1.7
179.14365	1.5
185.02142	10.0
191.70001	1.4
193.03091	1.2
195.13852	10.1
205.12315	2.9
211.13391	1.8
223.13353	18.5
249.22293	2.1
275.20175	1.4
293.21228	100.0
294.21478	5.0
307.00320	1.4
391.15277	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	479.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.7
59.01373	17.2
60.01715	0.7
61.98830	17.0
67.01880	1.0
67.08774	0.7
68.99817	1.0
69.03419	0.8
71.01376	14.0
72.99304	4.2
73.02932	1.5
74.34061	0.6
75.00871	10.3
75.53259	0.6
76.47296	0.6
83.01354	1.2
85.02946	13.4
87.00877	4.6
89.02438	3.6
95.01376	3.3
97.46780	0.6
98.19855	1.1
99.00880	7.3
101.02444	3.4
103.00340	1.2
111.00857	1.1
113.02444	10.9
115.00319	0.9
117.01927	1.1
121.02912	1.3
125.02405	1.0
129.01932	1.0
157.01385	1.3
161.04535	1.3
165.12759	1.5
167.14395	22.4
168.14731	0.8
175.02440	2.1
183.13869	1.0
185.15485	0.6
185.88789	0.6
201.85442	0.5
204.08591	0.5
211.13371	35.5
212.13655	0.9
213.14914	3.9
214.15225	2.4
215.15503	2.1
226.11089	1.1
229.14418	41.6
230.14748	1.8
231.04965	1.0
241.13420	2.0
243.15982	0.8
249.06171	7.5
267.07230	1.7
273.10281	0.7
285.12271	1.0
303.18063	4.1
307.85553	0.6
317.15009	1.7
340.66537	0.5
417.21228	1.2
419.26624	1.4
461.20279	2.8
479.21259	100.0
480.21735	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.7
59.01373	17.2
60.01715	0.7
61.98830	17.0
67.01880	1.0
67.08774	0.7
68.99817	1.0
69.03419	0.8
71.01376	14.0
72.99304	4.2
73.02932	1.5
74.34061	0.6
75.00871	10.3
75.53259	0.6
76.47296	0.6
83.01354	1.2
85.02946	13.4
87.00877	4.6
89.02438	3.6
95.01376	3.3
97.46780	0.6
98.19855	1.1
99.00880	7.3
101.02444	3.4
103.00340	1.2
111.00857	1.1
113.02444	10.9
115.00319	0.9
117.01927	1.1
121.02912	1.3
125.02405	1.0
129.01932	1.0
157.01385	1.3
161.04535	1.3
165.12759	1.5
167.14395	22.4
168.14731	0.8
175.02440	2.1
183.13869	1.0
185.15485	0.6
185.88789	0.6
201.85442	0.5
204.08591	0.5
211.13371	35.5
212.13655	0.9
213.14914	3.9
214.15225	2.4
215.15503	2.1
226.11089	1.1
229.14418	41.6
230.14748	1.8
231.04965	1.0
241.13420	2.0
243.15982	0.8
249.06171	7.5
267.07230	1.7
273.10281	0.7
285.12271	1.0
303.18063	4.1
307.85553	0.6
317.15009	1.7
340.66537	0.5
417.21228	1.2
419.26624	1.4
461.20279	2.8
479.21259	100.0
480.21735	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27526	1.1
57.03431	3.1
59.01381	34.7
60.99280	3.2
61.98835	28.7
65.00316	1.5
70.14587	1.1
71.01081	1.3
71.01385	13.4
71.04996	2.3
71.53263	1.8
72.99315	2.1
73.02926	4.3
75.00866	2.4
75.35815	0.9
83.01369	2.0
85.02946	5.0
87.00867	2.9
88.98805	21.2
89.02036	0.9
89.02435	9.1
95.01355	1.1
97.02935	2.5
97.06591	1.0
99.00890	8.8
100.08572	1.0
101.02457	10.1
107.01375	2.9
108.02165	1.2
109.02938	1.5
113.02399	4.9
119.03476	2.4
123.04442	1.6
123.08125	1.0
125.02396	4.3
125.09663	4.0
125.10495	1.1
127.11214	1.6
149.04500	3.7
151.00349	9.8
151.03999	1.8
153.01907	1.1
155.10719	1.2
161.04506	3.1
163.11296	7.1
165.00052	1.8
165.01872	1.8
167.03374	1.8
171.10304	1.3
181.12331	13.5
199.13397	23.6
201.11266	2.6
207.10249	22.2
225.11327	48.0
229.14302	1.3
243.12361	12.5
253.09332	5.6
255.02959	1.4
271.02338	2.2
299.02060	1.4
317.00912	5.7
317.06506	1.5
361.22128	4.2
399.16559	2.8
444.63846	1.2
461.20245	7.6
479.06793	15.6
479.21140	100.0
479.31015	7.3
480.21426	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	479.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27526	1.1
57.03431	3.1
59.01381	34.7
60.99280	3.2
61.98835	28.7
65.00316	1.5
70.14587	1.1
71.01081	1.3
71.01385	13.4
71.04996	2.3
71.53263	1.8
72.99315	2.1
73.02926	4.3
75.00866	2.4
75.35815	0.9
83.01369	2.0
85.02946	5.0
87.00867	2.9
88.98805	21.2
89.02036	0.9
89.02435	9.1
95.01355	1.1
97.02935	2.5
97.06591	1.0
99.00890	8.8
100.08572	1.0
101.02457	10.1
107.01375	2.9
108.02165	1.2
109.02938	1.5
113.02399	4.9
119.03476	2.4
123.04442	1.6
123.08125	1.0
125.02396	4.3
125.09663	4.0
125.10495	1.1
127.11214	1.6
149.04500	3.7
151.00349	9.8
151.03999	1.8
153.01907	1.1
155.10719	1.2
161.04506	3.1
163.11296	7.1
165.00052	1.8
165.01872	1.8
167.03374	1.8
171.10304	1.3
181.12331	13.5
199.13397	23.6
201.11266	2.6
207.10249	22.2
225.11327	48.0
229.14302	1.3
243.12361	12.5
253.09332	5.6
255.02959	1.4
271.02338	2.2
299.02060	1.4
317.00912	5.7
317.06506	1.5
361.22128	4.2
399.16559	2.8
444.63846	1.2
461.20245	7.6
479.06793	15.6
479.21140	100.0
479.31015	7.3
480.21426	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	479.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	4.7
58.00594	3.5
58.09665	2.8
58.77088	2.9
59.01373	27.3
61.98828	7.2
64.72457	2.9
71.01379	61.8
71.53272	3.5
71.53618	3.3
73.02933	11.6
78.95901	13.4
80.96508	7.2
81.03428	4.1
83.01428	3.1
85.02943	6.3
87.00870	3.7
89.02435	10.0
95.05052	3.2
95.99824	2.7
97.02964	7.0
97.06561	4.5
99.00870	11.8
101.02435	15.9
109.06590	31.9
110.03719	3.7
110.98505	9.6
113.02428	6.7
119.03528	5.7
125.09686	6.8
126.66949	3.0
127.11237	4.5
151.11249	4.0
151.22072	3.0
155.10629	2.9
156.08746	3.1
161.04504	5.9
161.09698	4.6
163.11237	18.5
167.01149	10.0
171.10262	32.4
181.12338	18.3
183.10208	3.8
185.11800	6.3
189.09180	4.1
197.11800	6.1
199.09705	3.6
199.13312	16.6
201.09599	3.4
201.11316	39.6
207.10243	88.1
208.10660	5.1
211.13348	7.3
215.12843	8.2
222.48575	3.2
225.11296	100.0
243.12372	16.7
253.09190	26.7
265.78537	2.9
269.08356	3.5
293.21249	4.3
295.10388	4.1
311.22330	36.7
334.37674	3.4
364.00406	3.2
461.20197	16.8
479.20963	71.4
480.22778	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	479.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	14.1
59.01379	2.4
61.98829	3.5
70.91293	0.3
71.01386	0.7
73.02944	0.2
75.00883	0.4
81.03451	1.2
82.83076	0.2
83.01385	3.2
83.01883	0.2
84.57057	0.1
85.02959	0.5
87.00880	0.2
89.02469	0.4
96.18580	0.2
101.02470	0.5
113.02430	0.4
118.13576	0.2
119.05017	0.6
123.00873	0.2
124.01698	0.9
125.02444	100.0
126.02771	1.7
133.03006	0.2
137.02426	0.8
139.03958	0.3
150.03201	0.3
161.04573	0.2
163.03983	0.5
165.01944	0.6
176.01146	1.3
177.01881	0.9
188.76689	0.2
191.03502	2.5
192.04233	0.4
195.05167	0.2
207.06544	0.3
211.13379	1.0
225.27177	0.2
258.05450	0.2
273.07516	0.3
301.03693	0.3
317.06616	0.9
317.09991	0.2
419.26495	0.4
479.11902	9.4
479.32108	0.4
480.11795	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1192
Annotation	Padmatin 5-glucoside
Peak:m/z	Relative Intensity
57.03449	10.3
59.01383	5.2
60.99303	1.0
61.98845	1.6
63.02401	1.3
65.00329	3.2
66.41936	0.7
67.01907	0.9
70.54063	2.4
71.01379	2.6
72.99298	2.8
73.02934	0.9
74.36576	0.7
75.00865	3.4
81.03455	2.6
83.01385	7.6
85.02937	1.3
87.00893	1.4
88.23521	0.7
88.98789	6.1
89.02443	2.1
93.03454	3.0
95.01392	4.2
97.02957	2.1
99.00905	1.2
101.02476	1.3
107.01373	6.3
108.02174	1.7
109.02940	4.5
111.00893	1.1
113.02468	1.0
116.92830	1.4
121.02938	2.4
122.03732	0.9
123.00900	2.0
123.04496	0.8
124.01661	4.2
124.83687	0.8
125.02444	100.0
126.02757	2.3
135.04536	1.2
136.01620	3.6
137.02448	5.6
137.06085	1.5
138.03308	0.8
139.04034	2.1
148.01640	1.3
149.02446	9.4
150.03209	2.3
151.00365	27.7
151.04001	3.5
152.01152	16.3
153.01939	11.5
153.05569	0.7
163.00467	1.0
163.03993	1.1
165.01926	28.4
165.05565	2.0
166.02600	0.8
167.03491	2.2
169.01392	0.8
171.10268	2.1
176.01103	0.7
177.01840	0.9
178.99852	18.5
179.03474	1.0
188.04803	0.8
192.04219	1.8
193.01505	0.9
194.33638	0.7
195.06604	0.8
200.04768	1.5
207.06644	2.0
209.04510	6.4
214.02695	0.7
214.06308	1.4
216.04231	1.2
225.11285	1.8
227.03459	2.1
228.04358	1.2
230.05861	2.6
231.06624	2.4
239.03433	1.3
240.04321	1.9
245.07957	1.6
253.75984	0.9
255.06732	1.6
256.03741	7.0
258.05396	2.4
270.01709	0.7
271.02570	1.9
271.06146	1.3
273.07663	5.9
274.04883	5.3
274.07538	1.1
283.02621	0.8
284.03235	25.6
285.03726	1.4
287.01816	1.7
289.07169	90.7
290.07458	4.6
299.05594	73.3
300.06046	2.7
313.07440	3.6
316.02182	6.2
317.03009	1.7
317.06625	40.7
318.07150	1.5
331.08170	1.6
341.06345	2.4
342.05817	3.5
359.07880	0.8
409.03604	0.7
418.42978	0.8
451.12384	4.8
461.10883	3.8
462.92197	0.8
479.12033	92.5
479.24503	2.9
479.29584	2.0
480.12222	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	7.4
59.01379	13.5
61.98829	7.9
63.02413	1.6
64.19940	1.3
65.00320	4.6
69.58320	1.4
71.01377	6.3
72.99320	2.4
73.02943	2.1
73.24603	1.4
75.00884	3.9
75.41792	1.3
79.38031	1.5
81.03480	1.8
83.01382	7.3
85.02958	3.6
87.00838	1.9
88.98796	10.3
89.02451	6.0
95.01388	9.9
95.50534	1.3
97.02967	1.7
98.20660	3.8
101.02423	3.8
107.01396	7.8
108.02188	2.4
109.02990	2.6
111.00863	2.6
113.02440	5.4
119.03521	1.9
121.02953	3.7
123.00903	6.2
123.04530	4.4
124.01667	9.6
124.66465	1.4
125.02441	40.7
134.41771	1.3
136.01695	1.6
137.02423	3.9
139.00374	1.8
139.03989	3.3
149.02414	4.2
149.06056	4.3
151.00359	29.3
152.01166	20.2
153.01947	7.9
163.04036	2.0
165.01947	4.0
165.05667	1.5
166.02692	1.5
174.94576	1.4
175.00383	3.8
176.01262	3.2
178.99852	24.6
181.01390	1.8
187.04033	3.8
188.04800	4.1
192.04207	1.5
194.02164	1.9
195.02919	1.7
207.06657	1.5
225.11308	2.2
230.05908	10.3
231.06528	3.2
245.08159	5.4
253.09511	1.7
258.05283	2.3
273.07672	10.3
274.04910	10.0
287.09122	8.3
289.07181	100.0
290.07452	5.0
299.05554	3.0
303.08969	1.8
313.07169	26.2
314.07373	1.7
317.03546	1.9
317.06683	55.3
317.10257	8.3
318.07071	2.2
331.08197	11.9
341.06216	1.6
343.08066	3.9
347.17093	1.9
391.10214	1.6
451.12466	28.2
452.12714	3.1
479.11801	20.2
479.18262	8.1
480.78366	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48567	0.6
59.01376	10.0
61.98829	100.0
63.50480	0.5
71.01390	2.8
73.02970	0.8
87.68494	0.6
89.02454	1.8
93.80170	0.5
101.02473	0.7
105.50129	0.5
119.03596	0.6
125.02450	1.0
130.45784	0.5
177.93541	0.5
293.08813	2.1
398.07489	0.6
478.20441	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2937
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
61.60339	0.6
61.98830	3.3
70.99871	1.2
71.00217	0.8
78.95901	100.0
96.96950	8.5
129.10246	0.6
150.98044	0.7
152.99577	17.8
153.12923	0.6
163.58144	0.6
170.99258	1.5
171.00632	19.7
175.04010	0.7
177.25549	0.7
192.33450	0.8
224.02078	0.7
268.00589	0.8
299.35806	0.9
300.36145	0.7
404.25684	2.1
478.29355	70.2
479.29596	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	479.0827
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
51.05068	0.5
53.67414	0.5
65.00330	1.1
71.07899	0.7
71.08230	1.0
96.23269	0.5
98.27814	0.6
107.01360	1.0
109.02979	0.6
124.01649	2.6
124.57104	0.5
129.66176	0.5
136.01596	0.9
137.02438	1.7
137.20619	0.5
144.63724	0.6
151.00392	5.8
152.01089	0.7
163.00345	1.7
164.01152	2.3
165.01938	0.6
178.99864	6.1
196.53163	0.6
203.03531	0.7
214.02696	6.7
215.03455	1.0
220.89149	0.6
227.03500	0.9
232.03841	0.6
242.02158	5.0
243.02971	3.3
259.02432	6.7
270.01691	6.3
271.02454	42.2
272.02786	2.1
287.01950	22.7
288.02661	2.2
315.01465	0.7
316.02203	100.0
317.02878	18.8
318.03180	0.8
448.17163	0.6
461.61945	0.6
479.08267	84.6
480.08609	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	477.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39623	0.7
57.03452	1.6
59.01377	23.2
61.98822	4.4
67.01893	1.9
68.99813	1.8
69.27602	5.9
71.01378	10.4
72.99300	0.8
73.02956	1.9
75.00862	1.2
83.01386	2.0
85.02951	9.6
87.00880	3.6
89.02448	3.5
95.01395	2.3
99.00856	1.1
101.02428	5.1
108.38061	0.7
109.19704	0.7
111.00868	2.6
113.02438	10.4
113.89457	0.7
119.03474	1.0
121.02991	3.5
129.01950	1.0
135.04552	1.6
139.00377	0.9
139.04086	0.7
143.03484	1.0
157.01468	0.9
161.04556	2.9
165.12859	1.8
183.13884	21.0
190.05084	1.2
195.13884	18.8
195.15604	1.4
196.14252	1.8
197.14503	1.5
205.07103	2.7
213.14944	100.0
214.15251	2.3
228.13289	0.8
249.08812	1.9
253.13425	0.9
253.85292	0.8
263.07721	6.8
271.09811	3.3
272.10153	3.3
273.10303	4.8
275.42880	0.8
293.39786	0.8
315.05127	1.1
417.25031	3.0
445.20728	1.7
446.27173	0.9
477.23471	76.0
478.23914	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	477.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54049	2.8
59.01380	56.3
61.98805	2.6
68.44572	2.7
70.19902	9.3
71.01392	14.4
105.04830	2.6
113.02422	8.6
123.87614	2.7
161.04547	3.6
255.23285	100.0
256.23462	5.6
269.22070	5.4
269.24835	80.6
279.23154	6.5
297.24341	17.6
313.23663	5.1
452.05075	3.7
493.22818	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	477.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25509	1.3
59.01372	11.6
60.10326	1.3
61.98819	5.3
65.29962	1.3
69.03441	1.8
71.87689	1.2
75.88080	1.3
78.95895	35.4
85.96392	1.3
91.95846	1.3
96.96034	1.6
98.20636	5.6
109.06656	1.2
110.98523	24.3
111.08154	12.1
111.62419	1.2
133.08719	1.3
136.70526	1.5
137.00098	1.3
151.11305	1.2
153.12880	1.4
167.01141	27.0
169.12354	6.9
183.13969	1.5
185.02129	7.6
197.11809	68.9
198.12186	1.9
198.33392	1.4
199.13414	1.8
211.13408	7.5
212.89986	1.3
217.94275	1.5
229.62909	1.7
263.20248	2.5
291.19708	10.8
309.20694	40.4
310.20999	1.8
477.22571	100.0
478.22861	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	477.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02142	1.2
54.96928	1.3
56.46143	1.1
57.03439	2.0
59.01384	5.2
61.98830	9.5
64.90363	1.2
69.03442	1.4
70.49571	1.2
71.53903	1.9
75.00871	1.9
75.21513	1.1
76.33160	1.1
78.95904	39.3
94.00998	1.4
95.04983	1.7
100.63660	1.2
108.55542	1.2
110.98527	28.5
111.08170	7.5
111.45200	1.3
137.09674	1.2
152.99675	1.6
167.01140	29.3
167.10735	3.5
171.10274	2.4
179.10741	2.8
179.14374	1.6
185.02223	11.3
195.09976	1.4
195.13924	15.6
205.12332	5.0
209.11894	3.1
211.13397	4.2
223.13379	32.8
233.15440	1.2
245.26488	1.2
247.20598	2.3
249.14835	1.6
291.19662	100.0
292.20026	5.7
297.03989	2.2
299.05740	1.9
336.35071	1.4
391.15192	11.2
459.21619	3.0
459.27484	6.9
477.28912	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63878	0.7
55.02329	0.9
57.03426	1.4
59.01366	4.3
59.16647	0.8
61.98825	3.1
69.03446	1.4
69.32426	5.5
71.01408	0.8
77.53198	0.6
78.95901	19.1
83.05048	1.0
95.05006	0.9
97.89188	0.7
98.20746	0.9
110.98531	16.8
111.08148	9.6
137.09602	1.0
152.99597	1.5
166.04292	0.8
167.01155	9.1
167.10751	3.2
177.12865	2.3
179.10780	2.1
179.14368	2.2
185.02194	12.4
195.13890	11.4
197.11908	1.0
205.12297	3.3
209.11810	1.6
223.13373	19.3
243.03183	0.8
247.20602	2.7
273.18588	2.9
291.19641	100.0
292.20001	5.0
309.20535	1.6
391.15231	7.7
477.22543	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.2
58.00592	1.2
59.01376	14.5
59.51020	0.8
61.98834	4.9
69.03455	2.0
71.01378	1.9
71.53253	1.1
73.02972	1.4
78.95903	28.1
83.05030	1.7
85.02929	1.1
93.89154	0.9
96.84317	0.9
104.97474	1.3
110.98532	20.6
111.08153	21.4
116.90350	1.0
127.07631	2.6
139.68770	1.0
151.11266	1.4
151.68906	0.8
153.12810	2.7
160.61603	0.8
165.12740	1.1
167.01128	16.1
169.12315	8.9
171.10277	1.5
179.10835	1.4
181.12407	2.4
183.13835	2.1
185.02168	12.5
193.12256	1.1
197.11823	100.0
198.12151	3.7
199.13376	3.9
209.11839	1.2
211.13380	9.8
227.12885	2.4
263.20126	4.5
265.18088	3.0
265.38535	1.2
291.19656	21.7
309.20688	80.2
310.21045	4.7
343.24847	1.9
477.22546	88.3
478.22916	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	477.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.3
59.40421	0.7
60.99307	14.6
61.98814	2.9
71.01379	5.0
72.26582	0.7
72.99319	0.8
73.02928	1.3
75.00873	2.3
79.63883	0.7
83.58866	0.7
85.02943	2.8
87.00871	1.9
88.98803	100.0
89.02451	3.1
89.99150	0.7
93.88625	0.7
95.01374	0.9
96.96003	0.7
99.00893	2.0
101.02426	1.8
113.02416	5.4
113.66692	0.7
131.74922	0.8
165.12834	2.0
185.18852	0.7
203.26750	0.7
209.11778	0.9
226.60359	0.9
227.12860	9.1
249.06142	3.8
267.07242	0.9
299.32800	0.9
344.81577	0.8
387.16504	8.3
477.19821	23.8
478.20395	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1974
Annotation	Rhodamine B
Peak:m/z	Relative Intensity
51.56764	0.3
55.01861	0.4
55.97515	0.2
57.03452	2.1
58.00587	0.7
59.01380	8.3
67.01885	0.6
68.99821	0.9
69.03448	0.8
69.62606	0.4
69.63007	1.5
71.01380	10.3
71.01781	0.5
72.99305	3.7
73.02961	0.6
75.00874	9.7
75.01302	0.5
80.95164	0.3
81.03472	0.3
81.29418	0.2
83.01390	0.4
85.02947	11.6
87.00873	4.1
89.02442	2.6
91.04002	0.5
93.03462	0.3
95.01379	3.0
97.02917	0.4
97.06554	0.3
98.19904	0.6
99.00876	7.0
103.00385	1.0
106.08324	0.3
109.02919	0.3
111.00896	0.6
111.04555	0.3
111.08154	0.6
113.02448	11.7
115.00375	1.1
117.01959	1.4
129.01936	1.0
155.27637	0.3
157.01416	1.0
165.12840	8.0
175.02522	1.6
183.13893	74.6
184.14249	2.6
189.03926	0.3
194.85712	0.3
205.07185	0.3
209.11830	1.3
227.12909	4.2
231.05066	0.7
249.06131	8.0
267.07227	3.0
301.16571	4.2
302.17377	0.3
415.19772	6.2
416.20139	0.4
417.17917	0.4
433.20819	0.6
459.18680	2.9
477.19748	100.0
478.14185	0.3
478.20050	7.2
493.34692	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03444	3.1
58.00587	0.8
59.01379	36.9
61.98819	1.3
62.35191	0.4
67.01886	0.6
68.99812	0.5
69.03455	1.2
69.29097	1.3
69.29517	2.2
71.01380	17.3
71.01781	0.9
72.99303	3.7
73.02963	1.4
75.00868	11.5
78.26731	0.4
83.01382	1.4
85.02949	18.8
86.70934	0.4
87.00875	6.1
88.98829	1.0
89.02439	8.4
90.26859	0.4
91.04005	0.5
95.01392	3.8
98.24065	0.4
99.00880	7.9
101.02444	1.9
103.00363	2.2
111.00871	0.6
111.08160	1.2
113.02449	24.4
115.00377	1.8
117.01929	2.2
119.03519	2.0
125.02459	0.4
129.01930	1.1
131.03468	0.7
145.02931	0.5
148.72934	0.5
149.04570	0.8
150.80659	0.5
157.01408	1.1
161.04541	0.8
165.12845	9.5
166.05066	1.1
175.02452	2.1
179.05595	1.0
183.13895	65.4
184.14226	2.3
193.03496	0.5
205.07127	0.7
207.05093	0.6
209.11766	2.3
227.12828	3.4
249.06133	4.8
255.16026	0.5
267.07190	21.6
268.07556	0.6
271.02417	0.6
273.11176	0.4
285.04111	0.9
301.16528	3.6
314.04443	0.5
315.05246	0.5
315.08768	1.2
380.22964	0.4
415.19858	4.2
417.24881	2.6
433.20660	0.4
459.18546	2.1
477.19748	100.0
478.20099	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	477.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
70.78576	0.8
77.13435	0.4
107.01392	0.9
125.02413	0.6
131.13066	0.3
151.00352	2.6
153.01988	0.4
163.00410	0.6
169.01398	0.4
171.04466	0.4
175.04088	0.6
178.99780	0.6
197.02393	0.4
198.27426	0.4
199.03986	3.3
201.01898	1.4
203.03439	0.7
204.04201	0.4
210.03064	0.4
215.03496	2.9
225.01936	0.5
226.02715	1.0
227.03473	3.5
229.01358	0.7
242.02200	8.8
243.02957	33.1
244.03319	1.6
255.02954	1.2
257.04535	8.9
259.02621	0.4
270.01657	10.3
271.02438	34.5
272.02783	1.6
283.02515	0.4
285.04007	15.8
286.04742	4.9
287.01910	0.9
287.05237	0.6
299.01965	8.0
299.05307	0.5
300.02768	3.8
314.04288	33.6
314.98013	0.4
315.01437	1.4
315.05005	7.6
316.02020	0.5
316.05453	0.6
330.03726	1.9
331.04602	1.5
357.06223	1.0
384.01099	0.4
477.10324	100.0
478.10654	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	477.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66146	0.5
57.03449	3.6
57.27421	0.4
59.01370	1.8
61.98824	1.8
65.00326	6.9
69.71960	2.1
70.96184	0.4
71.01377	1.4
72.99342	0.4
75.00874	0.8
81.03468	1.6
83.01386	11.2
93.03481	0.7
96.96007	4.8
97.02946	1.6
101.02423	0.5
107.01392	11.0
111.04491	0.4
121.02952	0.6
124.01653	1.7
125.02443	37.5
126.02760	0.5
128.21170	0.4
131.01370	1.3
135.02991	3.2
137.02463	0.8
139.04004	0.9
149.02414	1.6
151.00363	58.6
152.00700	1.2
165.01921	0.9
167.03461	1.8
168.00616	2.1
169.01410	17.5
170.01607	0.6
175.00349	5.9
193.01395	4.5
194.92690	0.4
195.05040	0.4
205.01306	0.8
211.02448	1.7
267.56033	0.4
459.11359	0.9
477.12469	100.0
478.12817	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	476.278
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
61.98840	0.3
71.52068	0.4
78.95902	100.0
79.95481	0.2
89.52126	0.3
96.96960	8.3
130.77693	0.3
152.99582	17.4
155.94739	0.2
171.00638	20.3
172.01080	0.3
184.20280	0.3
212.33862	0.2
220.38577	0.3
232.90489	0.2
239.50566	0.3
244.77769	0.3
314.27322	0.3
322.92902	0.3
384.23422	0.3
402.24200	1.7
476.27798	67.6
477.28015	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	477.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.6
59.01109	0.5
59.01380	5.7
59.59688	0.3
61.98820	1.1
71.01374	1.6
71.53448	0.3
72.78997	0.3
73.02946	0.7
81.91783	0.4
83.01392	0.5
85.02956	0.8
87.00867	0.7
88.98810	0.5
89.02457	1.1
96.25041	0.4
98.19918	0.4
99.04559	0.4
101.02457	1.2
107.01386	0.4
109.12927	0.3
113.02473	0.7
116.76252	0.3
119.03397	0.3
123.04526	0.4
125.02457	1.5
148.01662	0.6
149.02428	0.6
150.03247	0.4
151.00360	1.4
151.04050	0.4
161.04552	0.6
173.98694	0.3
179.10788	0.7
180.36166	0.3
189.85779	0.3
197.11824	4.7
199.03975	0.6
227.03426	0.8
229.04945	0.6
241.05066	0.3
243.02887	0.8
267.70602	0.4
268.03802	0.4
271.02466	64.2
272.02963	4.2
285.03906	0.7
299.01950	58.7
300.02701	36.1
301.03333	3.6
313.03568	3.0
314.04318	12.5
315.05081	63.2
316.05481	3.4
329.02997	7.3
343.04681	0.6
357.06180	1.0
362.99454	0.4
421.83444	0.4
462.07996	14.9
463.08044	0.7
477.10333	100.0
477.19614	4.7
478.10727	6.5
478.17590	0.6
478.20041	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2779
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
51.68191	0.2
59.01363	0.6
61.98822	0.6
76.09299	0.2
78.95901	9.3
96.97011	0.3
98.20699	0.7
99.56451	0.2
111.17371	0.2
140.01166	2.0
152.99594	1.3
171.00676	0.8
196.03781	1.1
214.04857	2.8
229.32310	0.3
261.22119	0.4
279.23264	100.0
280.23602	5.5
345.53610	0.2
476.27795	16.1
476.33765	0.6
477.28253	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.8
57.68105	0.6
59.01376	100.0
61.98835	2.7
65.53053	0.6
71.01383	2.6
73.02976	0.9
78.95914	0.9
83.05046	0.8
85.02946	1.4
85.56620	0.6
89.02450	1.2
91.04017	5.4
97.06595	1.4
101.02477	1.1
109.06617	0.7
110.98553	1.5
113.02425	0.8
113.73100	0.7
129.15131	0.6
158.53297	0.5
161.04652	1.0
171.10327	1.5
183.13895	1.4
185.02411	0.7
193.12405	2.2
209.11737	3.6
225.14862	3.3
243.16052	1.1
271.09943	1.7
289.18021	3.9
341.23279	40.1
342.23837	1.8
433.28445	0.6
475.21085	2.4
475.26541	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01704	1.6
61.98836	3.9
71.01382	4.5
71.53534	1.1
73.02946	1.2
75.00879	0.9
79.68887	0.6
85.02974	1.6
87.00901	0.9
89.02446	2.2
96.74569	0.7
96.96024	2.6
99.00889	1.0
101.02442	3.8
113.02456	2.8
114.64996	0.6
125.47501	0.7
131.03436	1.0
140.89719	0.6
161.04578	2.4
171.10240	0.6
186.56348	0.6
221.06726	1.2
238.06335	0.8
253.08670	5.0
253.18269	0.8
263.10101	0.7
268.03809	3.6
271.09888	1.0
283.06070	10.1
363.20874	0.8
415.23206	0.8
475.20969	0.8
475.29132	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.8
57.68105	0.6
59.01376	100.0
61.98835	2.7
65.53053	0.6
71.01383	2.6
73.02976	0.9
78.95914	0.9
83.05046	0.8
85.02946	1.4
85.56620	0.6
89.02450	1.2
91.04017	5.4
97.06595	1.4
101.02477	1.1
109.06617	0.7
110.98553	1.5
113.02425	0.8
113.73100	0.7
129.15131	0.6
158.53297	0.5
161.04652	1.0
171.10327	1.5
183.13895	1.4
185.02411	0.7
193.12405	2.2
209.11737	3.6
225.14862	3.3
243.16052	1.1
271.09943	1.7
289.18021	3.9
341.23279	40.1
342.23837	1.8
433.28445	0.6
475.21085	2.4
475.26541	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41568	0.3
57.03446	1.9
59.01377	100.0
60.01711	1.1
61.98828	1.5
65.03977	0.4
70.00313	0.7
70.00711	1.0
71.01373	3.7
73.02947	0.8
75.00880	0.7
78.56026	0.3
83.01368	0.4
85.02961	2.1
87.00850	0.8
89.02460	3.0
91.05531	2.0
93.03463	1.2
94.59996	0.3
95.01424	0.5
99.00878	0.6
99.04518	1.6
101.02453	2.7
108.02184	3.2
113.02441	2.7
119.03496	1.4
119.05014	0.8
121.02953	30.1
122.03304	0.5
123.04529	7.2
133.02982	0.7
134.03748	4.2
135.04523	15.7
143.03537	0.5
147.04517	5.4
149.06071	15.6
150.06410	0.5
161.04550	1.0
173.00920	0.4
179.05592	1.0
183.13817	0.9
187.86066	0.4
189.89351	0.4
231.75996	0.4
255.02957	1.0
255.06540	0.5
256.03787	1.8
269.04480	0.7
271.09726	51.6
272.10052	2.5
283.02451	1.0
297.03961	1.6
298.04776	1.5
313.07175	4.8
366.56735	0.4
379.71622	0.4
415.14145	2.5
415.22968	2.0
475.16946	0.6
475.29297	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.9
55.15347	0.9
57.03448	81.0
59.01378	100.0
60.01708	1.5
61.98829	1.3
71.01011	1.5
71.01376	21.1
73.02952	5.1
75.00867	3.0
81.03451	1.2
83.01379	3.5
85.02957	10.1
87.00873	2.3
88.98798	2.6
89.02441	12.8
95.01389	2.5
99.00878	3.3
99.04519	81.2
100.04840	1.3
101.02437	33.8
113.02450	12.6
119.03517	5.4
125.02441	24.5
131.03432	1.4
134.75351	0.9
143.03485	3.8
145.86530	0.8
159.02959	1.7
161.04543	7.2
163.11247	0.9
179.05588	2.0
181.12320	6.1
193.59927	0.9
284.03305	1.7
299.05426	1.2
331.17606	19.0
332.18100	1.7
373.18597	5.9
413.21790	1.7
415.23291	3.5
433.24255	1.9
470.20508	1.0
475.11047	1.5
475.17181	3.2
475.21777	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	475.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98489	0.7
55.01865	0.9
57.03440	1.6
59.01380	69.7
60.01709	0.9
60.99304	1.6
61.01826	0.9
61.98831	5.5
65.79478	0.6
67.01898	0.8
68.99824	1.3
69.03450	1.0
69.91034	1.7
69.91419	1.6
71.01378	15.9
72.99313	3.4
73.02940	3.1
75.00874	12.4
83.01386	1.0
84.04440	0.8
85.02949	16.4
87.00871	5.7
88.98799	10.9
89.02450	6.6
92.53578	0.7
95.01398	4.2
98.20060	1.1
98.84130	0.7
99.00880	6.7
99.22139	0.6
101.02448	4.8
103.00347	0.9
108.02124	1.1
113.02454	18.7
115.00390	1.9
117.01893	2.0
119.03499	1.2
121.02928	0.9
129.01964	1.8
135.04466	1.3
137.02477	1.1
152.01135	1.9
157.01405	0.8
162.63313	0.6
175.02454	2.0
177.12849	1.2
179.05566	1.1
195.13899	14.1
197.15486	1.3
197.75137	0.7
207.13893	8.7
213.62344	0.6
225.14955	42.9
226.15311	1.8
227.12848	0.7
231.05177	1.0
239.12987	0.9
240.04164	2.3
241.05103	0.7
249.06149	12.2
255.06674	6.5
256.07346	3.0
267.07193	2.3
271.09769	10.2
272.10159	0.8
289.06424	1.2
373.22168	0.8
415.23370	2.7
457.20667	1.9
475.21811	100.0
476.22253	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	475.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.9
55.15347	0.9
57.03448	81.0
59.01378	100.0
60.01708	1.5
61.98829	1.3
71.01011	1.5
71.01376	21.1
73.02952	5.1
75.00867	3.0
81.03451	1.2
83.01379	3.5
85.02957	10.1
87.00873	2.3
88.98798	2.6
89.02441	12.8
95.01389	2.5
99.00878	3.3
99.04519	81.2
100.04840	1.3
101.02437	33.8
113.02450	12.6
119.03517	5.4
125.02441	24.5
131.03432	1.4
134.75351	0.9
143.03485	3.8
145.86530	0.8
159.02959	1.7
161.04543	7.2
163.11247	0.9
179.05588	2.0
181.12320	6.1
193.59927	0.9
284.03305	1.7
299.05426	1.2
331.17606	19.0
332.18100	1.7
373.18597	5.9
413.21790	1.7
415.23291	3.5
433.24255	1.9
470.20508	1.0
475.11047	1.5
475.17181	3.2
475.21777	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	475.218
Annotation	Loperamide
Peak:m/z	Relative Intensity
57.03453	1.6
59.01377	35.4
61.98809	2.4
71.01379	10.1
71.54073	1.6
73.02938	3.4
75.00842	1.6
85.02940	4.6
89.02425	5.5
91.05499	1.0
95.01431	1.1
97.06596	1.4
97.75029	1.3
101.02439	8.3
108.02167	1.8
109.02945	8.8
113.02432	4.3
119.03451	1.5
121.02953	15.7
122.03756	5.6
123.04516	3.3
134.03778	2.4
135.04520	14.8
143.03487	1.2
147.04536	2.7
149.06052	4.8
161.04500	1.5
165.12849	10.5
177.12825	10.7
183.13882	19.7
195.13898	100.0
196.12466	1.1
196.14224	4.0
199.47961	1.2
207.13768	1.7
211.07513	2.4
221.11778	3.4
227.10730	2.3
227.12854	27.5
239.12875	12.3
241.05057	1.2
251.12863	2.7
253.09248	7.1
271.09726	65.0
272.10114	2.2
399.01282	1.3
415.13898	4.7
475.21786	98.3
476.22049	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	475.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30378	2.0
55.49649	1.8
58.35410	1.7
59.01381	12.1
59.29971	1.9
61.08318	1.8
61.98832	6.6
69.40546	18.3
71.01369	2.6
75.00861	2.5
78.95906	46.1
80.68037	2.6
81.03461	4.1
82.80431	2.2
83.01382	6.2
83.05013	3.3
97.02956	2.4
97.06590	6.6
105.52149	2.4
109.06624	2.6
110.98526	39.5
123.04498	5.0
125.06155	2.2
125.09715	11.8
133.06676	2.2
137.09744	5.9
163.11258	10.0
165.12764	3.0
167.01140	31.8
181.12329	3.7
185.02168	9.3
185.11813	7.4
191.10815	4.2
191.14421	7.5
199.40291	2.2
207.10272	7.3
209.11809	45.2
211.13507	2.6
225.11310	5.1
245.19119	19.8
271.17163	3.2
289.18079	50.6
307.19144	33.8
457.06717	3.8
475.08057	4.8
475.20975	100.0
475.27304	6.3
476.21411	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50095	1.5
53.45031	1.8
55.44097	1.7
57.03440	2.9
59.01380	67.2
61.98820	7.0
62.22279	1.8
66.44241	1.5
69.45593	13.2
71.01382	16.3
73.02931	9.0
75.00870	2.1
76.34174	1.7
83.01386	3.8
85.02934	2.5
87.00874	2.2
89.02433	8.4
93.03477	2.0
99.64165	1.5
101.02444	14.5
108.02176	2.1
109.02954	10.5
113.02426	6.7
117.03485	1.6
119.03548	3.2
121.02959	18.2
122.03709	4.5
123.04522	5.2
125.02391	1.9
134.03725	4.2
135.04536	14.4
138.65489	2.0
147.04553	5.0
149.06070	7.6
149.66100	1.8
159.11804	2.4
161.04607	3.8
165.12831	21.9
177.12869	11.0
177.18153	1.7
183.13893	39.3
183.75691	1.9
184.14183	2.2
195.13890	94.9
196.14215	2.9
209.11812	2.3
211.07698	4.9
217.35127	1.8
221.11716	2.8
227.12871	60.0
228.13272	2.8
235.08203	2.2
239.12866	11.6
251.12891	10.2
253.04645	1.8
253.09270	8.5
271.09726	74.9
272.10117	1.9
286.40768	2.0
295.09805	2.2
396.07623	1.8
415.13980	9.5
415.23026	2.3
475.21841	100.0
475.28372	6.2
476.22083	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	475.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	5.0
59.01378	67.5
60.99287	1.4
61.98830	2.1
66.51961	0.9
67.01880	1.3
68.99821	1.3
69.03465	1.2
69.53236	5.5
71.01376	20.6
71.24747	1.0
72.99304	4.3
73.02934	2.3
75.00869	14.5
80.28864	0.9
81.03464	1.2
81.99849	0.9
83.01385	4.1
83.05037	1.1
85.02956	19.3
87.00874	6.8
88.98814	6.5
89.02446	9.2
93.03447	2.1
95.01390	4.4
96.96005	1.7
99.00874	7.6
99.04479	1.4
101.02431	4.2
103.00343	2.3
111.00870	1.4
113.02448	24.2
117.01936	2.4
119.03499	1.8
119.05021	1.2
123.04521	1.4
132.88234	0.9
143.03583	1.0
146.03745	6.6
147.08218	1.4
147.11734	1.0
148.05269	1.2
149.04582	0.9
161.04544	1.6
161.05945	1.0
163.04155	1.2
163.07632	1.8
164.04872	4.6
165.09175	2.0
175.02589	1.3
175.07652	1.8
179.05597	2.4
179.07109	19.3
181.08655	1.3
189.12874	1.7
191.10736	1.2
195.06694	1.6
205.07137	1.1
209.04439	0.9
225.11285	12.0
231.05147	2.2
232.97629	1.0
233.11888	5.4
249.06140	34.1
267.07202	16.0
277.10812	4.7
295.11938	1.0
327.08597	2.7
348.39014	1.1
457.17319	2.6
475.18228	100.0
476.18799	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	475.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.6
57.03442	7.6
59.01376	100.0
60.99308	14.2
61.98826	17.9
69.03450	3.4
71.01379	37.5
71.53433	2.5
72.99300	2.4
73.02941	31.7
75.00874	3.9
83.01376	11.0
85.02966	13.1
87.00892	3.9
88.98801	84.3
89.02448	22.4
95.01369	2.8
96.96036	3.5
97.02887	2.0
99.00880	3.6
99.04515	3.3
101.02429	29.6
107.08701	1.9
109.06608	2.9
113.02457	17.3
116.88359	1.9
119.03529	5.4
131.03548	2.0
134.06029	2.3
143.03438	3.1
143.57718	2.0
145.02974	4.1
145.25099	2.1
147.11795	27.3
148.04013	4.2
149.04590	2.4
161.04547	7.3
163.07649	5.2
163.19440	2.2
164.04788	16.6
164.07971	3.1
165.05537	2.6
175.02563	2.3
178.94774	2.0
179.07114	16.1
199.13370	8.8
205.07138	2.6
209.11821	37.1
225.11293	4.9
243.12204	2.1
249.06316	2.5
253.14403	11.8
295.10767	5.6
295.15524	6.4
297.04086	3.3
313.07263	6.2
389.18173	2.5
415.23236	6.0
431.13715	4.0
431.19098	35.0
432.19498	3.2
475.12030	3.7
475.17169	26.9
475.61041	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	475.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76379	0.3
57.03449	2.3
59.01367	0.5
68.17889	0.3
71.01377	9.3
71.21677	0.7
86.45034	0.3
87.00876	7.8
87.04503	1.4
89.02450	1.7
115.00368	1.2
121.26255	0.3
133.01501	2.6
133.05064	100.0
134.05397	2.0
184.75093	0.3
191.05629	1.2
217.63461	0.3
224.82001	0.3
356.01331	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.9
59.01379	48.8
61.98825	0.9
69.67239	1.4
69.67642	3.4
71.01376	6.8
72.99319	1.5
73.02943	0.9
75.00874	2.5
78.52170	0.7
83.01395	1.9
85.02933	4.9
87.00854	1.8
88.98782	1.5
89.02451	4.2
93.32544	0.7
95.01394	0.8
96.96002	1.1
98.20630	1.2
99.00882	1.2
99.04470	1.0
101.02446	2.7
113.02445	5.3
119.03518	1.0
125.02437	0.7
133.34840	0.7
135.04469	1.0
143.01862	0.7
146.03732	32.7
147.04451	0.7
161.04565	2.8
161.06076	11.6
163.03975	1.3
164.04790	21.3
175.07571	1.3
179.07127	100.0
180.07452	3.1
189.12874	0.9
225.11340	2.4
233.11671	3.0
249.06107	3.0
267.07263	2.4
277.10782	1.9
311.05655	0.6
324.13803	0.6
327.08951	0.8
328.79886	0.7
415.15976	0.7
457.16962	1.1
475.18625	11.1
476.18842	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.6
61.98826	100.0
70.65788	0.8
70.66175	0.8
71.01385	0.6
75.38801	0.3
88.98814	0.3
96.53499	0.4
113.02413	0.5
137.02460	1.2
148.05295	23.3
149.05714	0.6
163.07634	30.9
164.08041	1.3
170.29619	0.4
226.90587	0.4
332.57504	0.4
367.13879	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00166	0.4
59.01369	3.7
59.35267	0.4
61.98836	3.6
71.01385	0.8
71.52751	0.5
75.23872	0.4
77.78484	0.4
78.95905	33.2
83.04993	0.4
88.98832	0.4
94.32692	0.4
96.96960	2.6
97.06626	0.5
124.27470	0.4
140.01198	2.3
145.02980	0.6
150.93283	0.5
152.99599	6.2
162.83926	1.5
171.00642	4.9
196.03787	1.1
205.19781	0.4
214.04839	3.7
214.14505	0.4
233.22867	0.5
275.20169	1.0
276.12933	0.6
277.21707	100.0
278.22040	6.7
335.63513	0.4
375.63669	0.5
400.22195	0.4
438.08517	0.5
457.25873	1.6
474.26260	30.5
475.26630	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	475.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07043	0.4
59.01374	35.6
60.01704	0.7
61.98827	5.0
67.20625	0.4
69.00295	0.4
69.99663	1.2
71.01379	2.7
72.99299	0.4
75.00860	1.4
77.66363	0.4
85.02956	1.4
87.00867	0.8
89.02464	0.8
91.57533	0.4
99.00874	1.0
101.02432	1.0
113.02421	2.2
115.00334	0.4
121.02939	7.3
132.83740	0.4
135.04559	0.6
151.00247	0.9
161.83997	0.4
183.13838	0.8
223.14163	0.4
224.04738	0.4
239.03445	0.8
239.07213	0.4
240.04189	1.1
258.04050	0.4
267.02985	0.7
268.03732	52.8
269.04120	2.2
271.09705	0.9
281.04526	1.0
283.06085	100.0
284.06442	5.2
297.07498	0.5
325.07190	1.6
353.08652	0.9
412.18439	0.8
415.10022	2.1
415.22980	0.5
475.12534	3.5
475.29364	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72913	0.2
59.01377	100.0
60.01710	0.7
61.98830	2.5
69.19675	0.2
69.28895	1.9
71.01371	1.3
73.02950	1.8
75.00851	0.3
83.29593	0.2
85.02968	0.6
88.36488	0.2
89.02457	0.6
98.19875	0.5
101.02449	1.5
107.56785	0.2
113.02457	0.7
119.03495	0.5
161.04474	0.4
164.16588	0.2
198.48114	0.3
201.56407	0.2
246.85237	0.3
268.03656	0.3
280.34338	0.2
429.17468	0.3
473.16876	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	67.0
61.79156	3.9
61.98819	11.4
69.84424	15.9
71.01375	51.1
78.95879	12.2
85.02937	6.4
87.00871	6.3
89.02439	66.3
90.87894	3.4
91.64786	3.5
95.01372	3.5
101.02448	17.3
113.02438	10.5
119.03461	8.6
152.99661	4.0
161.04549	5.4
165.21275	3.9
179.05606	15.4
185.36472	3.4
195.13898	7.1
242.68114	3.6
258.84967	4.1
275.20081	4.7
293.21191	100.0
294.21509	7.8
410.12668	3.9
473.32678	12.1
474.26205	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	473.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26056	0.3
53.97660	0.3
59.01379	100.0
61.98833	2.0
69.64930	1.4
69.65347	0.7
71.01377	0.9
85.02974	0.5
89.02467	0.5
101.02442	1.0
111.79571	0.3
113.02471	0.8
119.03485	0.5
121.02983	0.5
136.19841	0.3
161.04550	0.4
202.39969	0.3
239.03783	0.4
251.16516	5.6
254.05853	0.4
263.07327	0.3
282.05481	1.5
386.51572	0.4
473.27460	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61816	0.2
57.03453	0.7
58.84872	0.3
59.01379	100.0
60.01712	0.5
61.98854	0.7
69.04794	0.2
69.50409	0.5
69.50809	1.4
71.01387	1.8
73.02955	1.0
75.00864	0.3
77.25876	0.3
79.99743	0.2
83.01382	0.5
85.02977	0.9
89.02452	1.1
99.04565	0.3
101.02466	1.0
103.38761	0.3
113.02502	1.0
113.88267	0.3
119.02624	0.2
122.14489	0.2
125.02537	0.3
161.04552	0.7
163.11299	0.3
169.56815	0.2
184.52203	0.3
284.16684	0.3
413.21613	0.6
473.10678	0.3
473.16934	0.5
473.24951	0.4
482.07574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00837	0.6
58.62261	0.6
59.01379	100.0
61.98827	7.7
68.99580	0.7
71.53432	0.6
71.53809	0.8
78.95890	0.6
91.58908	0.7
112.98574	0.9
119.97898	1.3
121.13908	0.6
250.67000	0.6
280.95901	0.6
341.09680	1.5
348.15588	0.7
359.33096	0.7
387.09122	1.0
410.16711	1.9
473.36932	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.4
57.03443	1.0
59.01377	100.0
60.01709	0.7
61.14291	0.4
61.98833	5.4
68.99815	0.9
69.35297	1.8
69.35708	0.8
71.01382	5.5
72.99313	0.6
73.02942	2.3
82.52004	0.3
83.01385	1.6
85.02943	6.8
87.00877	0.6
87.04500	0.5
89.02431	1.7
95.01434	0.4
96.96012	4.1
96.96972	0.3
98.20686	0.7
99.00867	2.7
100.94399	0.3
101.02429	3.8
107.18404	0.3
111.00883	3.0
113.02445	2.7
119.03534	1.1
119.05049	1.1
121.02966	2.3
129.01924	2.0
131.03513	0.3
133.06595	1.1
145.02928	0.4
159.04550	0.9
161.04584	1.5
161.06050	0.5
163.03984	1.1
174.01802	0.5
183.13860	0.4
189.05580	0.6
205.03488	1.8
209.06091	1.0
209.50053	0.3
255.03101	1.0
283.02527	0.7
284.03241	2.5
298.09637	0.5
299.05551	3.1
327.07199	1.7
353.19794	0.8
371.20959	1.0
387.23920	0.4
413.21637	2.2
425.33759	0.4
431.23038	0.8
441.16571	0.4
473.16943	0.7
473.23776	8.9
473.66840	0.4
474.24460	0.9
474.31259	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.6
66.07112	1.1
67.50909	1.2
73.92304	1.2
89.09298	1.4
98.20723	2.0
106.40308	1.4
161.14795	1.5
193.07095	1.4
277.21698	100.0
278.21997	5.2
417.07806	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	1.6
59.01376	41.2
69.67329	5.8
70.52246	0.9
71.01379	32.5
72.24841	0.9
72.99292	1.9
73.02911	0.9
73.19479	1.0
79.77521	0.8
85.02951	4.4
87.00856	3.2
88.04049	1.0
89.02441	45.6
93.83548	0.9
95.01393	1.3
96.95983	2.2
101.02437	17.1
113.02433	14.7
119.03495	16.7
123.69369	0.9
130.05038	1.9
130.08733	39.6
131.03488	2.3
131.04588	3.1
133.05057	1.7
143.03476	3.9
143.21655	1.0
147.06583	3.2
149.04491	1.8
161.04527	3.8
179.04138	1.5
179.05608	19.9
191.05557	1.2
202.54974	1.0
248.35434	1.0
341.10849	100.0
342.11200	3.9
369.11447	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	473.145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93811	0.7
54.47813	0.7
57.48170	0.8
59.01374	21.6
61.98826	14.6
69.70817	3.9
70.21670	0.7
71.01375	4.8
73.02916	0.9
83.01402	0.8
85.02925	1.3
89.02419	1.6
96.45673	0.7
101.02428	2.7
105.18746	0.7
108.02154	2.0
113.02454	1.8
119.03425	0.9
121.02924	6.5
125.02457	1.0
133.02928	3.3
137.02344	0.8
145.02922	1.2
185.06050	1.8
186.06860	2.4
190.52737	0.7
195.04448	1.1
209.06047	3.7
210.06865	5.5
211.04028	3.7
223.13220	1.2
225.05577	3.1
226.06313	2.6
237.14963	3.8
239.03517	3.2
253.05064	7.0
253.09386	1.0
254.05830	100.0
255.06197	4.2
269.08163	98.1
270.08469	6.7
311.22195	3.1
473.20813	1.5
473.27518	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	471.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00808	2.4
52.32695	2.5
57.03432	3.2
59.01378	100.0
61.98831	30.6
62.27335	2.2
69.56709	9.1
69.57110	4.3
71.01383	33.7
72.99319	3.1
73.02943	57.5
75.00871	3.7
78.91890	4.8
80.96519	5.7
81.03448	2.8
82.95431	3.0
83.01370	13.2
83.05023	31.4
84.65553	2.3
85.02943	9.0
87.00885	2.6
89.02448	9.4
95.71803	2.2
96.96003	4.5
97.02922	2.8
98.19911	4.6
99.04516	6.7
101.02441	54.3
113.02462	14.3
116.92874	3.6
119.03484	5.7
119.05014	3.7
120.83109	2.1
121.06587	5.8
125.02448	34.6
131.03433	3.8
137.02489	2.3
143.03494	9.4
149.04521	7.2
151.03998	5.4
158.43431	2.5
161.04558	19.6
163.03996	3.0
177.03989	2.8
187.02458	17.8
195.05096	8.4
221.06586	4.6
453.13663	4.6
471.15271	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	470.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17222	0.8
59.01379	5.2
60.99305	15.3
61.98841	4.8
67.23556	1.0
71.01378	8.1
71.05018	1.4
71.51700	0.8
71.52110	1.1
85.02952	2.2
88.04041	1.4
88.98805	100.0
89.02463	1.6
96.96016	9.8
101.02463	1.9
109.03029	0.9
113.02483	1.6
119.05036	1.0
146.08223	16.8
175.26770	0.9
182.05908	0.8
204.08577	1.0
209.74843	0.8
298.39322	0.9
308.13495	1.2
380.15594	59.7
381.15994	2.7
448.98111	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11181	0.3
59.01381	1.2
61.98828	100.0
69.73724	1.5
69.74062	0.5
83.90915	0.3
95.13407	0.3
101.47951	0.3
196.07111	0.4
284.92542	0.3
367.28738	0.3
410.23892	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78761	0.7
55.01882	1.4
57.03450	5.9
58.00599	0.9
59.01379	16.1
59.18056	0.7
61.98830	4.1
66.59977	0.7
69.03444	1.7
69.97591	1.4
69.97939	2.6
71.01382	32.7
71.59663	0.7
72.99307	6.6
73.02934	3.9
75.00871	32.9
83.01378	2.6
85.02460	1.4
85.02954	26.6
85.03468	1.5
87.00880	8.8
89.02426	5.4
95.01385	4.2
97.02919	1.4
99.00876	16.4
99.04498	0.9
101.02450	6.9
103.00390	0.8
111.00882	1.1
113.02449	25.1
115.00373	2.8
117.01930	2.5
119.03523	1.3
121.02916	1.2
125.02435	3.4
129.01950	1.1
131.03517	0.9
131.04974	1.6
132.05794	1.9
133.06595	79.6
134.06900	2.5
141.01877	0.9
143.03520	2.4
157.01434	4.2
159.03014	0.9
161.04530	3.6
165.09181	1.0
173.04469	1.0
175.02475	4.1
187.02350	1.1
209.04691	0.9
217.03473	2.3
231.24716	0.9
277.05661	7.0
285.66071	0.9
311.72769	0.7
319.06671	2.1
333.85980	0.7
337.07562	4.1
376.88965	0.7
411.12875	0.8
453.13794	1.2
471.15012	100.0
472.15433	6.7
494.99942	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48326	0.2
59.01383	1.1
61.98830	100.0
64.36333	0.3
65.67200	0.3
71.01386	2.5
71.05034	0.7
71.51289	0.3
72.99338	0.4
75.00874	0.8
85.02958	0.9
87.00899	0.4
88.04037	2.1
89.02431	0.5
96.95995	1.9
99.00869	0.5
109.86992	0.3
113.02480	0.9
125.02477	0.4
132.06685	1.0
146.08212	1.9
156.94025	0.3
204.08772	0.6
218.10303	0.5
249.06123	1.4
267.07361	0.4
296.59183	0.3
352.93109	0.3
468.12140	0.4
468.17337	8.1
469.18234	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
56.66228	0.8
57.03446	63.2
59.01375	31.2
61.98531	1.3
61.98825	13.6
69.76295	0.7
69.76646	4.5
70.16244	0.7
71.01376	8.1
73.02938	2.6
75.00909	0.7
80.29765	0.8
81.03398	0.8
83.01396	1.8
85.02943	3.2
85.08611	0.7
87.71775	0.7
89.02429	1.2
91.80245	0.7
95.01382	0.9
96.96019	1.2
98.19963	1.2
99.00883	1.3
99.04514	44.9
101.02446	16.1
113.02458	3.4
121.02961	1.2
125.02438	21.2
138.67253	0.8
143.03528	0.8
147.04457	1.1
148.05296	100.0
149.05615	2.7
161.04550	6.3
163.07640	97.9
164.07991	2.5
205.12292	3.9
209.11855	0.9
221.08011	1.0
227.16476	1.1
271.09714	0.8
325.12915	1.1
338.68903	0.9
367.14166	1.1
407.17899	1.2
433.24506	1.4
451.17050	1.6
467.94980	0.9
469.12662	1.9
469.18668	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	467.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00574	1.0
59.01376	100.0
60.01701	1.0
61.98833	3.0
66.88719	0.6
68.07031	0.6
70.80483	1.5
71.01379	17.8
73.02938	0.7
73.44498	0.7
83.01394	0.6
85.02950	3.2
87.00883	1.9
89.02442	28.1
95.01386	0.9
96.95973	0.7
101.02438	13.3
102.77064	0.7
113.02441	8.9
119.03499	13.6
129.52757	0.6
131.03485	0.9
143.03523	2.8
149.04524	1.1
153.09187	1.1
161.04543	6.3
179.05606	9.6
210.70778	0.6
245.17497	3.8
276.68948	0.6
407.22818	48.0
408.22937	3.7
467.25101	1.1
484.50262	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.8
57.03442	4.6
59.01078	0.7
59.01373	12.3
61.98825	4.1
65.36431	0.4
69.03464	0.7
69.84084	2.5
70.52065	0.5
71.01378	21.9
72.99299	3.6
73.02950	3.7
75.00865	21.7
75.60870	0.4
81.38104	0.4
83.01375	3.3
83.44035	0.4
84.02150	0.8
85.02946	31.3
87.00876	7.4
87.77401	0.5
89.02444	2.5
95.01386	2.9
97.02959	1.1
98.94081	0.5
98.97446	0.5
99.00868	8.4
101.02435	6.4
111.00880	1.0
112.01669	0.7
113.02443	22.4
114.02779	0.6
115.00394	2.5
117.01933	1.2
125.02542	0.5
129.01961	0.6
131.78415	0.5
138.01933	0.9
157.01425	0.8
161.04518	1.6
172.16455	0.5
175.02397	3.2
191.01889	0.6
244.79237	0.5
291.18124	1.3
391.62964	0.6
427.24237	0.5
450.16760	2.4
467.21280	100.0
468.21954	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	467.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43053	0.4
55.01875	1.3
57.03443	4.5
59.01078	0.6
59.01379	12.2
61.98827	3.2
64.88892	0.4
69.03443	1.2
69.41730	0.9
69.42136	2.2
71.01382	19.0
72.99312	3.6
73.02940	3.8
75.00871	22.0
81.03471	0.7
83.01402	2.7
84.63390	0.4
84.91613	0.5
85.02946	27.8
87.00874	6.8
89.02449	2.7
95.01401	2.9
96.96009	1.6
97.02948	0.6
97.71838	0.4
99.00873	8.1
101.02424	5.7
103.00381	0.6
103.04037	0.6
109.02950	0.8
110.83095	0.4
111.00908	0.9
112.01654	1.6
113.02448	23.1
114.02817	0.5
115.00372	2.1
117.01942	1.0
121.71368	0.4
125.02460	1.7
126.35618	0.4
129.01950	1.0
129.59644	0.4
137.02397	0.6
139.04008	0.5
157.01399	1.3
159.02971	0.5
161.04567	1.4
175.02525	2.1
186.86084	0.5
191.03503	0.4
291.18103	1.8
305.06693	0.6
317.06750	0.5
355.67673	0.5
407.26770	0.5
443.40714	0.5
467.21292	100.0
468.21658	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	466.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.7
61.98829	100.0
70.54636	0.3
70.54975	0.5
71.01376	1.1
73.02939	0.3
86.53630	0.2
95.77312	0.2
101.02453	0.6
113.02416	0.4
133.15424	0.2
138.05638	0.3
215.75902	0.2
241.08768	0.4
259.13129	0.2
403.19974	0.5
407.26852	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
59.01376	3.5
61.98829	100.0
70.54013	0.3
70.54346	0.6
71.01373	1.3
75.00900	0.7
84.20302	0.2
85.02954	1.9
89.02459	0.8
93.03458	1.1
101.02451	1.0
113.02477	0.5
119.03506	0.3
119.05013	0.4
125.02473	0.6
129.00906	0.3
129.01932	0.3
136.07729	0.4
137.02451	2.1
145.02922	0.8
149.04623	0.3
163.04039	0.4
165.04092	0.3
171.10274	5.7
174.73569	0.3
191.02037	0.4
209.11812	0.4
210.12195	0.5
211.07695	0.4
229.13499	0.3
241.14421	0.4
253.09428	0.6
264.24686	0.3
272.02682	0.3
295.06097	0.3
303.03836	0.3
435.18869	0.3
467.28873	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67735	0.3
55.01869	1.5
57.03210	0.3
57.03448	4.2
58.00583	0.3
58.66850	0.3
59.01379	10.6
61.98827	2.1
68.99794	0.4
69.03450	0.4
70.76096	0.3
71.01379	18.3
71.30168	0.3
72.99304	3.5
73.02943	2.9
75.00869	24.4
77.52471	0.3
83.01386	3.2
84.02169	0.6
85.02945	25.8
86.00097	0.7
87.00874	7.0
89.02447	1.7
92.65121	0.3
93.64094	0.3
95.01379	2.7
97.02945	0.9
99.00268	0.5
99.00877	7.7
99.81663	0.2
101.02441	6.4
103.00369	1.0
103.01298	0.2
105.18618	0.3
109.02892	0.4
111.00871	0.6
112.01637	0.9
113.02444	23.9
115.00369	1.9
116.01160	0.3
117.01939	1.5
125.02454	0.6
129.01921	0.7
130.42616	0.3
131.03488	0.3
140.21754	0.3
151.46205	0.3
155.76483	0.3
157.01355	0.9
161.04526	1.2
167.59178	0.3
173.04585	0.5
175.02489	3.0
225.15007	0.3
284.03281	0.9
291.18143	1.7
299.05615	1.3
349.18610	0.4
405.21231	0.6
407.18826	0.7
419.56964	0.3
431.10071	0.3
449.20288	0.6
467.21292	100.0
468.21658	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	465.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33565	0.4
55.01872	1.1
57.03426	1.1
58.00592	0.5
58.13372	0.4
58.73833	0.5
59.01378	12.5
59.74376	0.4
59.74725	0.5
61.98815	0.9
69.03448	0.6
71.01377	9.4
71.53608	0.6
72.99284	1.4
73.02942	2.8
75.00867	3.3
83.01395	2.6
83.05013	1.3
85.02509	0.6
85.02952	4.9
85.06602	0.5
85.77182	0.4
87.00863	1.2
89.02441	2.5
90.92664	0.4
95.53878	0.4
97.02892	0.4
99.00866	1.2
99.08141	1.2
101.02434	7.4
101.03089	0.6
111.00881	0.9
113.02444	3.2
113.03123	0.6
119.03480	0.5
125.02438	0.8
127.11232	0.5
129.09178	1.5
142.37546	0.4
143.10744	0.4
149.40129	0.4
161.04550	0.5
163.11284	0.6
175.02298	0.5
185.11751	1.3
190.68410	0.4
209.11818	14.7
210.12160	9.6
211.12288	9.0
227.12891	2.3
228.13211	1.8
229.13266	2.4
253.09221	1.6
254.09569	1.3
255.09758	1.8
259.14362	0.6
267.19424	0.5
285.20679	4.3
303.13483	0.6
303.21732	10.5
304.21942	0.6
334.20020	0.4
407.22977	0.5
429.24640	0.6
447.20264	0.7
447.25967	9.5
448.26221	0.8
465.26932	100.0
466.27222	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	465.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
57.03445	1.0
58.00604	0.4
59.01379	52.4
61.98835	0.9
65.14619	0.3
69.61914	0.9
69.62325	0.7
71.01378	8.6
72.99281	0.3
73.02941	4.0
75.00887	1.0
83.01383	2.5
84.16721	0.2
85.02946	6.2
85.32561	0.2
86.00130	0.5
87.00900	0.8
89.02448	1.3
91.95442	0.3
91.96049	0.3
95.01384	1.0
97.02958	0.4
99.00888	2.0
101.02437	10.8
111.00883	1.2
111.50974	0.3
113.02446	4.6
119.03548	0.3
125.02425	0.5
128.56995	0.2
129.01959	0.3
135.79083	0.3
140.05641	0.3
141.44441	0.3
143.03445	0.3
152.01181	0.4
159.02974	0.8
161.04561	1.0
166.02771	0.4
181.01453	0.3
181.05093	1.4
229.14496	0.5
243.19656	1.1
302.03760	0.4
303.04166	0.8
303.21814	0.5
387.40643	0.3
405.25168	2.9
447.25919	4.0
465.26984	100.0
466.27322	7.9
473.52924	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98832	1.1
63.50652	0.5
70.37474	0.5
71.01385	5.6
73.02958	0.8
85.02983	1.4
87.00876	0.5
89.02444	8.7
98.20670	1.2
101.02422	3.7
101.78966	0.4
106.45714	0.5
113.02444	3.4
119.03481	4.8
142.54190	0.5
143.03528	1.2
153.09276	0.5
161.04552	2.3
179.05635	3.3
243.16103	1.1
285.04083	0.5
303.05298	0.7
379.47986	0.6
405.21231	19.0
406.21896	1.4
465.17407	0.6
465.23618	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.27
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76433	0.5
55.01865	2.0
57.03451	5.0
58.00588	1.1
59.01379	32.0
61.98827	5.9
65.39648	0.5
66.64466	0.5
66.70457	0.5
69.71842	2.7
71.01378	22.7
72.99310	3.1
73.02941	8.8
75.00468	0.9
75.00869	11.2
81.03423	0.7
83.01387	5.5
83.05038	0.6
85.02946	17.7
86.00085	1.4
87.00867	4.1
89.02432	6.7
91.31416	0.5
95.01397	2.9
95.97351	0.5
96.15216	0.5
97.02945	1.1
99.00879	4.6
99.04518	2.0
99.08153	0.6
101.02438	16.9
109.02943	0.8
111.00852	1.6
113.02444	13.9
116.99259	0.5
119.03503	1.5
123.04478	0.7
125.02454	3.5
129.01878	0.9
129.09192	2.3
130.03508	0.5
131.03590	0.6
137.02361	0.5
142.60947	0.5
143.03461	0.9
151.00362	0.6
151.03954	0.7
152.03496	1.1
159.02991	1.0
161.04514	3.2
179.03456	0.8
179.05501	1.3
185.11772	1.5
208.44156	0.6
209.11850	3.0
210.12057	1.2
211.13306	1.7
229.14418	3.3
285.04166	0.7
285.20663	4.3
302.03723	0.6
303.04041	0.7
303.21762	4.1
405.21130	1.6
407.08130	0.5
423.18582	2.5
429.17923	0.6
429.24850	1.3
447.25983	16.1
448.26111	1.5
465.19739	25.2
465.26926	100.0
466.20068	1.6
466.27051	8.7
487.91626	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.4
58.00591	0.5
59.01377	100.0
60.01724	0.8
61.98835	1.5
62.23561	0.4
69.47012	2.4
71.01381	7.7
83.01389	0.4
85.02962	1.2
87.00902	0.5
89.02441	11.1
95.01415	0.4
101.02437	4.9
102.94461	0.4
104.11132	0.4
111.16382	0.3
113.02452	3.8
119.03498	5.0
123.04516	0.3
125.02457	1.2
131.03558	0.7
139.07639	0.4
143.03514	1.2
149.09731	0.8
151.00514	0.4
161.04555	2.8
167.10710	1.9
179.05597	4.4
181.70372	0.3
225.14932	0.4
238.23907	0.3
243.16063	1.0
272.42123	0.4
285.04169	0.9
303.05191	1.3
369.86227	0.4
405.21295	6.3
406.21667	0.4
465.23294	2.2
481.87347	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78323	0.3
55.01885	1.7
57.03449	4.5
58.00597	0.6
59.01380	10.9
61.98824	0.8
68.99812	0.3
69.03459	0.6
69.29592	2.3
69.30006	0.5
71.01380	23.3
72.99319	3.2
73.02947	4.5
75.00870	25.6
82.15945	0.3
83.01390	3.7
84.02197	0.5
85.02948	30.1
86.03290	0.4
87.00874	7.8
89.02453	3.3
95.01393	3.3
97.02949	0.9
98.20615	0.6
99.00878	9.5
101.02435	6.3
103.00385	0.9
109.02947	0.5
111.00880	1.8
112.01679	0.8
113.02447	24.9
115.00349	2.6
116.01170	0.4
117.01936	1.5
125.02452	0.3
127.11261	0.5
129.01932	1.4
131.03506	0.3
143.03479	0.4
157.01433	1.0
159.03017	0.5
161.04515	1.5
173.04437	0.6
175.02454	2.8
196.84746	0.3
205.12231	0.4
205.19656	0.3
215.00993	0.3
227.12823	0.4
229.14435	0.4
243.03575	0.3
279.89957	0.3
285.12366	0.4
289.16623	1.2
303.21857	0.7
335.06174	0.6
347.16772	0.3
403.19867	0.4
447.18661	0.5
465.19745	100.0
466.20071	6.8
466.26584	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1975
Annotation	Ustiloxin F
Peak:m/z	Relative Intensity
55.01873	1.6
55.62918	0.2
57.03448	5.1
58.00584	0.8
59.01380	20.0
61.98819	0.6
67.01904	0.2
68.99816	0.5
69.03458	1.1
69.48785	1.0
69.49191	0.5
69.65865	0.2
71.01380	24.8
72.01725	0.3
72.46132	0.2
72.99309	4.6
73.02945	2.4
75.00871	26.4
83.01380	2.8
84.02159	0.7
85.02950	28.3
86.03310	0.3
87.00878	7.8
87.01384	0.5
89.02444	7.7
95.01388	2.9
97.02946	0.9
99.00879	8.1
101.02443	5.0
103.00350	0.8
111.00870	0.6
112.01658	1.0
113.02448	23.8
115.00357	2.7
116.01141	0.4
117.01958	1.3
119.03489	2.7
125.02407	0.5
129.01915	0.8
131.03505	0.6
139.00363	0.2
143.03514	0.3
146.58786	0.2
157.01378	1.1
161.04550	0.3
173.04558	1.0
175.02464	2.7
234.52097	0.2
347.17075	0.5
373.06796	0.3
403.19995	0.3
405.17422	0.8
447.18698	0.6
465.19748	100.0
466.20093	7.0
466.26959	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1973
Annotation	Ustiloxin F
Peak:m/z	Relative Intensity
51.96017	0.6
55.01871	3.0
57.03445	5.6
59.01378	21.1
61.98822	4.0
66.38931	0.6
68.99806	0.7
69.03428	0.6
69.83509	2.9
71.01379	25.7
72.99307	4.5
73.02947	5.8
73.57823	0.6
75.00867	29.4
83.01377	4.0
83.05031	0.8
85.02945	30.2
87.00863	8.7
87.49706	0.6
89.02429	4.4
95.01376	3.5
97.02956	1.3
99.00878	10.0
101.02437	10.3
103.00375	1.0
109.02934	0.7
111.00869	1.0
112.01662	1.2
113.02442	25.7
115.00350	2.3
117.01930	1.8
119.04974	0.6
125.02449	1.5
127.11256	0.9
129.01898	1.1
138.17981	0.6
140.49945	0.6
143.03465	0.8
157.01414	1.1
161.04523	1.9
162.96619	0.5
175.02451	2.7
185.11809	1.7
209.11777	4.2
210.12146	2.5
211.13640	1.0
217.89372	0.6
227.12843	1.3
229.14435	26.9
230.14755	1.6
253.09204	5.5
285.20660	1.0
289.16556	1.4
303.13330	1.9
303.21671	1.5
312.07272	0.9
447.19012	1.1
447.25870	2.9
465.19662	100.0
465.26895	25.2
466.19968	7.8
466.27216	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	465.1034
Annotation	Taxifolin 3-galactoside
Peak:m/z	Relative Intensity
51.55741	0.7
57.03447	13.1
59.01379	19.2
59.14175	0.8
61.98829	15.3
65.00324	2.4
69.52688	4.9
70.35533	0.7
71.01383	8.1
71.05018	0.8
72.99312	0.9
73.02957	2.3
75.00868	15.8
78.91897	3.6
83.01382	3.7
85.02948	3.6
87.00870	1.0
89.02435	5.1
93.03468	1.9
95.01390	4.5
101.02434	6.1
101.61241	0.7
107.01403	2.0
108.02174	1.0
109.02943	9.0
111.00914	1.7
113.02452	3.0
119.03507	1.5
120.78157	0.8
121.02959	2.4
122.03761	1.6
123.00899	2.2
123.04526	3.0
124.01663	7.5
125.02442	100.0
126.02774	1.9
133.02946	3.0
135.03006	0.9
135.04462	0.8
137.02449	6.4
139.00359	1.3
147.04527	1.6
148.01669	3.8
149.02425	5.1
150.03221	4.1
151.00356	11.6
151.03993	6.2
152.01143	12.6
153.01923	6.4
161.02402	0.8
161.06004	0.8
163.00291	0.9
165.01971	1.3
165.05632	0.9
169.01453	0.8
172.05316	1.0
173.06052	0.9
174.03177	1.3
175.03996	8.1
176.01149	2.0
177.01895	5.9
178.99850	6.8
179.05650	0.9
185.11804	1.4
187.04189	0.7
187.07585	0.8
188.04820	2.1
189.05609	5.7
191.03525	1.3
193.01419	2.4
193.05089	4.1
193.96338	0.8
199.03937	1.6
205.01340	0.7
215.07031	1.1
216.04176	1.3
217.05048	10.7
229.14368	1.7
231.06532	2.6
241.04924	2.3
255.02893	1.0
257.04498	1.3
258.05527	0.7
259.06097	13.1
264.30743	0.8
267.07092	0.9
270.05435	0.8
274.04730	2.3
275.05612	9.0
284.03180	2.2
285.04095	27.4
285.07571	4.6
286.04599	1.5
303.05051	11.3
303.08679	8.1
347.16873	1.1
355.06421	1.1
403.19708	2.3
405.21109	2.5
421.11292	2.8
437.10880	18.0
438.11081	1.1
447.09268	9.5
465.10281	92.4
465.20306	2.7
465.31284	9.7
466.10559	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	465.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	7.2
59.01377	51.4
61.98825	5.2
63.02399	1.7
65.00298	4.4
65.55064	0.8
71.01376	18.6
73.02932	1.3
75.00878	1.7
81.03449	2.7
83.01384	5.9
85.02941	5.8
87.00904	1.8
89.02438	23.0
93.03465	1.4
95.01379	1.7
97.02940	2.4
98.19851	2.1
99.00887	1.3
99.04506	1.8
101.02441	11.7
107.01390	3.7
109.02985	4.8
111.00906	1.0
113.02444	9.0
119.03503	9.2
119.75375	0.8
120.85252	0.9
121.02943	9.4
122.03761	2.3
123.04518	6.9
124.01683	2.1
125.02437	97.7
126.02804	2.1
130.46857	1.0
131.03484	2.2
137.02477	6.1
138.03238	13.7
139.03954	3.3
141.09250	0.9
143.03445	2.2
149.02429	16.5
150.03125	1.9
150.99187	2.0
151.00359	27.2
151.03957	3.5
152.01077	3.5
153.01935	22.8
153.05545	4.0
161.02493	1.2
161.04555	7.5
163.00360	3.2
165.01939	2.4
166.02696	14.7
167.03445	4.0
169.01480	1.2
170.02174	1.3
175.00380	4.6
175.03990	10.2
176.01125	1.6
177.01929	18.1
178.99854	18.9
179.05595	8.5
181.01418	12.1
181.04953	1.4
182.07956	1.0
188.04686	2.4
189.05544	3.7
191.03415	1.5
193.04999	1.2
195.02898	1.8
199.04015	5.4
213.05539	1.8
215.03531	1.2
216.04279	1.0
217.05049	8.1
241.05110	6.4
243.02904	2.2
243.16084	1.7
256.00043	1.0
257.04550	1.4
259.06134	3.4
275.05597	17.5
285.04025	65.4
286.04343	3.6
288.06216	1.8
299.05682	5.9
303.05063	100.0
303.08704	35.3
304.05392	4.2
304.08920	2.5
313.05670	1.4
327.05286	1.7
341.05118	5.9
343.06601	5.6
372.09470	1.0
384.08823	4.1
384.59253	1.3
405.21255	32.0
406.21536	2.1
437.10739	2.0
447.09302	3.6
465.10239	3.1
465.16443	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	464.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	16.3
61.98829	100.0
67.37338	0.3
71.01382	2.1
73.02929	0.5
85.02940	0.9
89.02479	0.6
98.19894	1.1
99.00893	0.4
101.02445	1.6
113.02477	1.0
122.47221	0.3
192.71031	0.4
201.66405	0.4
289.11288	0.4
315.18127	2.2
357.19339	0.8
378.70703	0.4
390.15549	0.4
434.09857	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12183	0.3
59.01377	19.6
59.14605	0.3
60.01714	0.4
61.98828	100.0
65.48795	0.2
69.74436	1.5
71.01389	2.0
73.02939	0.8
78.95923	0.6
85.02958	0.8
89.02454	0.4
89.51271	0.2
101.02442	1.2
106.05936	0.3
113.02457	0.8
161.04544	0.7
200.01303	0.7
207.92537	0.3
207.94705	0.3
216.15680	0.3
272.02896	0.3
301.03223	0.6
302.03851	0.3
315.18027	1.5
329.23279	0.5
330.23602	0.5
464.09158	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	465.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	8.2
59.01378	57.2
61.98817	3.3
63.02385	1.3
64.49901	0.9
65.00329	2.5
68.99819	1.1
70.73418	3.1
71.01379	18.3
72.99281	1.1
73.02959	1.7
74.80664	0.8
81.03468	1.3
83.01385	5.1
85.02950	5.2
87.00890	2.1
89.02448	23.9
93.03444	1.4
95.01371	1.7
101.02435	11.3
107.01378	6.6
109.02941	4.0
113.02444	10.0
119.03485	11.6
121.02975	4.8
122.03776	1.3
123.04499	5.9
124.01635	1.6
125.02442	100.0
126.02729	1.5
137.02420	5.3
138.03249	5.2
139.04037	2.7
141.09195	2.1
143.03493	3.0
147.04448	1.4
149.02434	12.1
150.03229	1.3
151.00359	29.4
151.04039	2.7
152.01157	1.9
153.01923	27.5
153.05579	2.1
161.02422	1.4
161.04536	7.3
165.01913	2.0
166.02649	5.9
167.03511	2.4
167.10828	1.3
174.03226	2.0
175.00368	5.0
175.03984	11.2
176.01115	2.2
177.00510	1.8
177.01933	17.8
177.47775	1.1
178.99847	18.8
179.05617	7.8
181.01431	12.5
181.05067	1.3
188.04779	2.3
189.05531	3.8
191.03409	1.6
193.01471	1.3
195.02982	2.4
199.04019	5.3
201.01929	1.4
205.01312	1.0
213.05638	1.1
217.05052	6.4
231.06613	1.6
241.05006	4.5
243.15971	4.9
256.03952	1.1
259.06100	3.5
275.05600	21.4
285.04034	60.9
286.04367	3.8
288.06293	1.0
299.05576	4.1
303.05087	94.8
303.08701	21.4
304.05374	6.4
304.08682	1.6
309.03796	1.0
313.05667	1.4
327.05029	1.8
341.04996	8.9
343.06738	6.7
384.08823	2.7
405.21277	39.7
406.21735	2.0
432.68781	1.0
437.10718	1.4
447.09277	4.1
465.01917	0.9
465.10275	3.2
465.16382	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
57.36426	0.4
59.01385	2.5
61.98817	1.7
63.86879	0.5
68.27923	0.5
77.60622	0.5
78.95905	7.9
100.81815	0.6
110.98528	5.9
113.09711	2.1
167.01118	3.2
179.14478	1.1
185.02187	5.7
195.13882	17.8
196.14163	0.9
209.11763	0.7
229.05022	0.5
255.02974	1.0
271.02402	1.3
277.21701	14.5
278.21954	0.5
295.22760	100.0
296.23123	5.7
300.02762	3.4
301.03427	2.0
358.20789	0.5
463.08884	3.7
463.24634	27.1
464.24954	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	463.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.2
60.39512	0.9
61.98828	8.3
62.62425	0.7
64.70741	0.9
70.99894	1.8
78.95901	25.4
89.18140	0.9
110.98536	15.7
113.09699	4.4
116.24331	1.2
129.46884	0.8
149.00043	1.5
152.99446	1.1
167.01149	18.7
179.14336	1.6
185.02184	4.6
194.98831	2.2
195.13879	20.7
196.14168	0.9
271.02545	2.4
277.21722	18.5
279.44266	0.8
295.22760	100.0
296.23154	5.3
300.02844	5.0
301.03519	2.6
375.77252	1.0
463.08920	5.7
463.24637	62.6
464.25232	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	464.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	15.7
61.98826	100.0
63.34451	0.3
68.53898	0.3
69.73407	1.4
71.01375	1.6
73.02938	0.3
75.00909	0.3
77.13466	0.3
85.02938	0.7
94.28146	0.3
95.91737	0.3
99.00892	0.4
100.35593	0.3
101.02466	0.9
113.02444	0.6
143.28751	0.4
161.04590	0.8
223.28484	0.3
247.33594	0.3
266.35614	0.3
268.95538	0.3
315.18140	1.4
322.92981	0.3
329.23322	0.4
357.19296	0.5
374.88086	0.3
392.95651	0.3
413.80630	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.1
59.01376	100.0
60.01704	0.6
61.98825	35.7
69.03425	0.7
70.18198	2.5
71.01391	6.4
71.05029	0.7
72.99289	0.7
73.02909	1.0
79.95762	0.8
85.02959	1.6
89.02451	2.1
95.01411	0.8
98.20654	0.6
101.02422	4.9
111.08162	4.7
113.02437	6.1
119.03499	1.6
121.02962	1.0
134.22501	0.6
150.03210	0.7
161.04588	2.1
163.11218	0.7
165.05550	1.2
165.12833	62.9
165.99217	0.6
166.13145	3.4
173.52458	0.7
178.99724	0.8
181.12276	0.9
187.33589	0.7
191.10779	1.6
202.44234	0.7
209.11809	10.8
223.13438	1.8
227.12881	16.7
228.13345	1.2
234.88631	0.7
241.14427	15.4
255.03070	1.2
271.02512	2.0
283.15582	3.1
286.08710	0.8
300.02728	4.9
301.03568	3.3
301.10858	2.5
329.23190	0.8
358.33194	0.7
401.08707	0.8
403.19922	0.7
463.08813	5.3
465.98978	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.8
58.00592	1.9
59.01377	67.5
61.98823	6.7
71.01012	2.0
71.01380	28.5
71.11037	2.4
72.99303	1.1
73.02926	3.2
79.05513	3.5
83.01380	1.9
83.04987	1.1
85.02949	6.5
87.00874	2.6
89.02442	32.5
95.01387	1.9
95.05013	2.0
96.95963	1.4
97.06588	3.9
99.04486	1.4
101.02440	20.1
113.02443	12.8
113.28258	1.2
119.03493	16.2
123.08150	4.4
124.05289	4.4
125.02424	1.3
131.03482	1.5
133.05013	1.3
136.05249	1.9
138.01953	1.2
138.03134	1.1
139.07645	23.8
140.07922	1.4
141.05550	5.0
143.03481	4.1
149.04501	1.9
151.07663	8.7
151.11258	1.8
153.05489	1.7
153.09126	2.4
161.04584	4.9
161.09680	3.4
163.07605	1.6
163.11278	2.2
169.08769	1.6
179.05589	10.1
179.10759	11.0
193.12311	6.5
203.10716	2.6
205.12332	5.8
211.13306	3.7
221.11723	3.5
223.13400	9.8
237.63039	1.1
239.12804	1.2
241.14450	57.2
263.62698	1.3
273.07825	1.6
283.11407	4.3
301.07047	3.1
373.18616	2.1
403.19714	100.0
404.19995	6.6
463.18234	4.9
464.17972	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	463.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29585	1.0
56.99841	1.0
57.03451	8.2
58.00596	1.5
59.01377	92.5
61.98828	8.3
65.00320	1.8
69.69907	5.0
71.01382	38.1
71.05033	2.3
72.99296	2.6
73.02935	3.1
78.48244	1.3
83.01389	2.9
85.02942	7.5
87.00850	3.4
89.02442	62.1
95.01377	2.2
98.19965	1.7
99.04528	1.2
101.02451	22.4
107.01372	1.9
109.02911	2.4
109.06605	1.4
113.02454	20.3
119.03512	22.9
123.08168	2.4
124.01613	1.0
125.02410	1.5
131.03516	2.6
137.02432	2.2
137.09761	5.2
142.12833	1.1
143.03502	6.0
147.71336	1.1
148.01659	1.3
149.04547	2.3
151.00323	8.4
151.11282	2.8
153.12871	4.5
155.68155	1.0
161.04562	8.2
167.10718	2.0
178.99828	5.7
179.05618	28.9
181.12358	5.3
195.13925	9.8
197.15457	5.6
199.13379	1.5
209.11803	4.7
214.02614	3.6
223.13316	2.9
227.12895	9.0
241.14441	100.0
242.02167	2.1
242.14799	3.4
243.03027	5.8
253.09172	1.6
254.02287	1.7
255.03029	11.6
255.15898	1.5
259.02563	2.8
270.01718	3.4
271.02466	42.4
272.02869	2.4
282.46304	1.3
283.15485	2.4
287.02048	9.8
299.01968	1.9
300.02719	41.9
301.00150	2.2
301.03516	30.7
301.06921	2.5
301.11053	1.6
302.03500	1.3
316.02231	43.3
317.02884	8.6
345.10995	2.3
345.15350	1.3
403.19815	1.9
419.19254	1.3
424.55917	1.3
463.08765	69.9
463.22247	2.5
463.29193	1.6
464.08725	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
57.03442	0.7
58.00569	0.4
59.01378	8.6
61.98833	2.0
69.03454	0.3
71.01379	5.1
72.92032	0.3
72.99306	0.5
73.02952	0.9
75.00855	0.8
80.02663	1.2
81.03457	1.0
83.01389	0.6
83.05024	4.6
84.02136	0.4
85.02950	1.9
87.00870	0.9
89.02445	3.5
89.59712	0.3
91.88638	0.3
95.01359	0.7
95.05014	0.6
99.00866	0.7
101.02438	4.1
109.06594	0.4
113.02448	2.6
119.03477	0.8
125.02463	0.4
125.06120	0.7
135.08101	0.8
137.09734	3.1
149.04477	0.5
151.00310	0.5
152.03529	5.1
155.10777	3.7
161.04521	1.6
163.11270	3.6
165.02010	0.4
165.12828	2.2
176.00200	0.3
179.05502	0.3
181.12332	0.4
183.13907	4.3
191.10747	1.1
199.09796	0.7
199.13213	0.4
209.11812	100.0
210.12149	3.9
227.12878	18.1
228.13121	0.6
235.08282	0.4
249.06232	0.5
253.09280	14.0
254.09554	0.4
255.02954	0.9
263.07568	0.5
271.02536	1.1
281.08777	0.8
300.02637	2.4
301.03647	2.4
301.06992	0.6
334.23087	0.3
338.81870	0.4
431.15298	0.8
463.08255	1.8
463.18317	4.0
463.23355	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48635	0.5
57.03434	2.2
58.00596	1.1
59.01377	18.8
61.98830	1.2
63.35369	0.5
65.00339	0.6
69.27168	3.8
71.01379	9.1
71.05023	0.9
72.89711	0.5
73.02964	0.5
80.02712	0.5
81.03457	0.7
83.01382	1.3
83.05025	4.0
84.02155	0.9
85.02955	1.8
85.82089	0.5
87.00882	1.3
89.02442	12.4
95.01392	0.9
101.02438	7.0
109.03003	0.6
113.02445	5.0
119.03496	5.7
123.08167	0.7
125.02456	1.7
131.03520	1.1
137.09749	1.2
143.03525	1.2
149.04507	0.5
151.00369	2.3
151.03911	0.4
151.11292	1.0
153.12836	1.4
155.14513	0.5
158.78073	0.4
161.04553	2.2
163.11290	2.9
165.12842	3.0
168.06236	0.5
179.00043	0.7
179.05618	5.2
179.14423	0.6
181.12390	1.1
191.10791	0.9
195.13884	2.1
197.15442	1.6
199.13377	4.0
209.11810	100.0
210.12154	3.8
215.76451	0.5
223.13336	0.9
227.03394	0.8
227.12868	27.4
228.13162	1.0
241.14453	20.2
242.14700	0.7
243.02954	2.0
253.09270	14.0
254.02066	0.7
255.02965	4.8
255.16037	0.6
271.02469	10.4
272.02957	1.3
300.02728	19.5
301.03540	10.2
301.06882	1.2
403.19659	0.6
463.08682	16.3
463.21094	2.3
464.09033	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.0
59.01374	12.6
61.98798	1.4
71.01380	9.4
71.30453	1.5
72.99303	2.8
73.02932	1.1
75.00861	11.2
85.02948	13.8
87.00882	4.8
89.02437	3.0
95.01384	4.9
99.00867	7.9
103.00304	1.2
113.02441	16.1
115.00359	1.5
117.01926	2.2
165.12752	0.9
175.02493	2.2
183.13875	18.7
195.13890	10.4
196.14195	0.8
210.31044	1.0
213.14943	56.5
214.15251	2.5
231.05055	1.1
249.06120	11.5
267.07187	2.8
305.58038	0.9
381.30029	0.8
445.20966	3.0
463.21823	100.0
464.22156	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	463.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
57.73430	0.2
57.93403	0.2
59.01377	5.4
61.98820	0.3
68.78281	0.2
69.16424	0.7
69.16844	1.6
71.01376	3.5
71.05003	0.3
72.99280	0.3
73.02944	0.6
80.02663	1.1
81.03458	1.0
83.01360	0.4
83.05017	4.5
84.02154	1.1
85.02930	0.8
87.00876	0.3
89.02448	3.3
95.01393	0.3
95.05031	0.4
95.91183	0.2
97.02949	0.3
101.02439	3.2
109.06516	0.3
111.09071	0.3
113.02443	1.5
113.58161	0.2
119.03510	0.6
125.06050	0.4
125.09707	0.4
135.08150	0.7
143.03468	0.4
148.62012	0.2
161.04520	1.1
163.11278	4.0
165.12831	2.1
179.05573	0.5
181.12302	0.6
191.10771	1.0
209.11804	100.0
210.12129	3.9
227.12859	16.8
227.15181	0.5
228.13156	1.0
235.08209	0.5
253.09254	14.5
254.09673	0.4
271.02417	0.5
290.17865	0.3
293.87540	0.2
300.02615	1.1
301.03586	0.9
463.08752	0.9
463.18069	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35582	0.4
57.03431	1.4
59.01108	0.8
59.01378	9.3
69.03484	0.6
69.31327	1.0
69.31740	2.7
71.01379	5.4
73.02953	1.3
74.66510	0.4
81.03474	0.4
83.01390	1.5
85.02946	1.5
86.38153	0.4
87.00871	1.0
89.02444	4.6
91.04037	0.5
93.49715	0.4
95.01369	0.8
98.19949	1.0
101.02447	5.6
111.08142	0.5
113.02453	2.2
119.03522	1.0
125.02450	7.2
129.55400	0.4
138.65302	0.5
140.65228	0.4
161.04504	2.1
165.12839	7.8
171.04979	0.4
179.05568	0.7
183.13889	100.0
184.14221	4.2
209.11882	2.7
224.55467	0.4
227.12857	9.4
235.08205	1.5
253.09309	8.3
254.09743	0.5
301.07254	3.1
413.04361	0.5
445.20868	0.9
463.12689	2.3
463.21823	89.2
464.22113	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	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03450	8.5
59.01377	19.2
61.98825	3.3
69.03456	0.6
70.37286	1.0
70.37639	1.4
71.01379	9.0
72.99327	0.9
73.02950	1.9
75.00867	2.0
81.03463	1.3
83.01382	5.5
83.05017	1.0
85.02949	4.7
87.00883	0.6
88.83223	0.6
89.02444	7.5
93.03432	0.7
95.01374	1.4
97.02959	1.5
99.00887	0.8
99.04502	1.1
101.02435	6.9
108.02172	0.8
109.02930	1.2
113.02448	5.6
119.03489	2.5
121.02956	9.2
123.04499	0.6
124.01704	0.7
125.02438	72.2
126.02779	1.2
129.37152	0.6
132.02153	2.3
133.02956	1.7
134.03757	3.7
135.04492	2.0
137.02432	2.1
139.03979	2.1
147.82552	0.6
149.02432	6.8
149.06039	1.3
149.36314	0.6
150.03259	0.6
154.09547	0.6
160.01637	13.2
161.02310	0.6
161.04536	1.9
163.11276	1.1
165.12831	5.5
165.54495	0.5
167.03445	1.4
167.04788	0.5
175.02556	1.2
175.03995	15.9
176.04317	0.7
177.01935	0.8
178.99741	0.6
179.05499	0.6
183.13884	100.0
184.14186	4.0
189.12907	0.6
193.05066	5.9
193.06638	0.9
199.90544	0.5
207.13908	2.9
209.11812	20.7
210.12125	0.8
219.13902	1.5
225.05440	2.1
227.12860	7.8
237.14934	5.2
241.08617	5.2
241.14362	0.8
249.14894	1.8
251.12871	6.0
253.04984	1.6
253.09276	2.6
255.02936	1.9
263.12817	2.9
271.02521	2.6
271.06058	8.6
272.06573	0.7
283.06137	0.6
286.08487	11.1
287.08875	1.8
300.02756	5.3
301.03439	3.5
301.07101	18.8
301.10785	23.7
301.16513	49.5
302.10974	1.3
302.16837	2.3
311.44675	0.5
325.07150	0.9
325.16586	2.6
337.09290	3.8
337.16565	1.1
343.08145	3.0
355.17746	2.7
367.17612	1.4
463.12820	16.1
463.25516	13.2
464.12524	1.3
464.25726	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.5
57.03450	6.5
58.00589	1.7
59.01379	41.5
61.98832	3.9
63.03542	0.7
69.03453	1.8
69.55950	0.6
69.97535	2.9
71.01381	33.9
72.99303	9.2
73.02940	3.8
75.00872	31.1
76.64943	0.6
81.03472	0.9
83.01366	4.7
83.05003	1.5
85.02949	34.2
87.00882	11.0
89.02445	10.1
93.03441	0.9
95.01383	3.9
97.02950	2.6
98.20506	0.8
99.00878	10.0
101.02448	8.2
103.00410	1.6
107.01402	0.8
108.02180	0.6
109.02964	0.7
111.00901	0.7
113.02449	28.5
115.00364	2.3
117.01933	1.9
119.03500	2.1
125.02422	3.5
129.01929	1.4
131.03496	4.6
143.03540	1.0
149.02444	2.5
149.04482	0.8
151.00375	3.6
157.01407	1.1
161.04523	1.1
163.11252	0.9
165.12935	0.8
173.04561	6.1
175.02489	3.7
179.05630	0.7
191.05624	1.0
193.03519	7.9
209.11819	28.6
209.13815	1.4
210.12169	0.8
227.03540	0.8
227.12881	8.0
235.04530	4.6
241.14552	0.8
243.02901	2.0
253.09300	3.5
255.02956	5.1
258.05362	0.8
259.02667	0.7
263.12823	2.1
268.03839	0.8
271.02432	10.0
272.03085	3.1
300.02734	27.2
301.03528	29.9
301.07098	1.8
301.10599	0.9
301.19760	0.8
302.03995	1.7
329.15417	0.8
337.07764	1.9
359.20691	1.2
363.95920	0.9
445.10938	0.8
445.16577	0.8
463.08725	27.5
463.18176	100.0
464.08997	1.9
464.18500	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	463.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49967	0.3
55.01883	0.3
57.03446	10.0
59.01379	8.4
61.98836	2.7
71.01379	4.3
73.02934	0.8
75.00864	0.9
81.03459	2.2
83.01383	7.0
83.05014	0.4
85.02945	2.2
87.00887	0.7
89.02428	1.1
93.03438	0.3
95.01404	0.5
97.02949	1.3
98.20760	0.7
99.00876	0.7
101.02431	2.9
107.01403	0.7
108.02174	0.6
108.66798	0.4
109.02943	2.0
111.00839	0.3
113.02433	2.8
119.03493	0.5
121.02954	11.3
123.00886	0.5
124.01672	0.6
125.02443	100.0
126.02796	2.1
132.02164	0.6
133.02945	1.4
134.03711	1.0
135.04512	2.0
137.02432	2.6
139.04030	2.2
142.81990	0.3
147.04561	0.5
147.60120	0.3
148.01704	0.7
149.02428	8.4
149.06116	0.4
150.03171	0.7
151.00330	0.5
151.04063	0.3
152.01138	0.4
160.01700	2.1
161.02429	0.7
161.04562	1.3
163.04063	0.6
164.04782	0.6
165.12891	0.5
167.03477	2.3
175.02521	0.5
175.03979	2.8
177.01947	0.7
179.03549	0.5
179.07108	0.4
183.13910	5.7
193.05075	1.0
197.06100	0.5
198.06822	0.4
209.11829	4.8
225.05609	1.4
226.06335	0.4
227.07100	0.6
227.12985	1.1
240.07834	0.4
241.08699	5.8
251.12904	0.5
253.05023	1.7
253.09273	0.7
255.03032	0.4
256.03558	0.5
270.05347	0.5
271.03046	0.4
271.06094	11.5
272.06824	0.9
283.06113	0.7
286.05273	0.7
286.08466	12.0
287.09244	1.8
299.05585	0.6
300.02756	1.6
301.03665	1.4
301.07205	21.4
301.10861	34.0
301.16577	3.2
302.07538	0.9
302.11209	2.0
325.07230	1.1
337.09387	0.4
343.08127	2.7
347.17026	0.5
376.83405	0.3
463.12576	17.4
463.25485	4.3
464.13107	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	13.3
58.03793	0.2
59.01387	1.1
59.05447	0.1
61.98824	0.2
63.02397	0.3
63.13426	0.1
65.00317	0.7
69.03464	0.1
70.05013	0.5
71.01372	0.4
81.03454	4.6
82.03827	0.1
83.01382	8.2
85.02968	0.2
87.00864	0.1
89.02441	0.3
93.03506	0.1
95.01350	0.2
97.02931	0.1
99.04504	0.2
101.02435	0.2
107.01419	0.7
108.02191	0.2
109.02950	0.3
113.02459	0.3
113.88545	0.1
123.04534	0.3
124.01681	0.7
125.02442	100.0
126.02764	1.9
133.02950	0.3
134.03775	0.2
137.02434	4.0
148.01659	1.7
149.06068	0.4
151.00346	0.9
152.01173	0.2
158.03740	0.1
161.02408	0.6
163.04018	1.1
164.41734	0.1
165.01949	0.7
172.05289	0.2
173.06050	0.4
175.03996	0.2
176.04788	0.4
177.01958	1.3
181.31174	0.1
183.13885	0.3
191.07143	0.8
198.03244	0.1
198.06911	0.1
199.03976	0.4
200.04787	1.0
209.11917	0.7
213.05490	0.2
214.06253	0.1
215.07108	1.0
216.04222	0.2
217.04961	0.4
227.03471	0.2
227.12862	0.2
231.06638	0.4
233.08148	0.4
241.04985	0.3
241.08691	0.2
242.05775	0.6
257.08136	0.5
259.05991	0.2
268.03726	0.2
271.02451	0.3
272.02728	0.1
283.06052	0.6
285.04050	0.5
299.05490	0.4
300.02707	0.5
301.07147	35.7
302.07468	2.2
446.44897	0.1
462.11206	0.1
463.12457	34.2
464.12817	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	463.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59031	0.5
59.01362	0.6
61.25184	0.5
61.86533	0.5
65.00306	0.7
69.19707	3.5
69.20114	1.3
71.01357	0.5
78.96743	0.5
83.01423	0.7
107.01370	2.3
108.02202	1.4
109.02943	2.4
121.02937	2.7
122.97850	0.6
135.00867	0.8
148.01675	1.6
151.00354	11.4
155.05075	0.7
162.43893	0.6
163.00336	2.3
164.01128	0.7
178.99866	5.9
183.04451	0.7
183.83801	0.6
192.00526	0.7
199.03975	1.0
201.05424	0.8
211.03905	0.9
215.03517	0.9
226.02672	1.5
227.03499	4.2
243.02989	12.7
244.03464	0.9
245.04485	1.2
254.02171	2.9
255.02979	27.8
256.03284	1.3
271.02457	66.8
272.02930	4.8
273.04007	1.2
283.02478	0.8
299.02032	1.3
300.02722	100.0
301.03467	53.9
302.03998	3.3
425.62717	0.6
463.08792	81.3
464.09058	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	463.1032
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
53.58213	1.3
59.01379	11.0
61.20598	1.3
61.98830	13.4
62.82628	1.2
63.24349	1.3
65.00318	2.3
71.53364	2.2
78.95910	3.4
79.95758	2.6
83.01392	1.7
95.60726	1.3
96.96002	9.2
107.01388	3.5
133.02927	6.8
135.51971	1.4
143.91513	1.7
151.00397	6.8
152.99573	3.1
154.67696	1.5
175.03981	2.8
188.22653	1.3
190.83179	1.3
209.11868	7.0
217.49521	1.6
227.03487	4.8
231.79214	1.6
241.05098	1.5
255.02959	78.8
256.03720	37.7
257.04071	2.9
271.02457	4.1
283.02457	100.0
284.03232	89.4
285.04016	65.7
286.04498	3.3
300.02731	8.5
301.03607	7.7
401.06519	1.4
445.09238	4.5
463.09708	18.0
463.20651	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	463.0881
Annotation	Isoquercitrin
Peak:m/z	Relative Intensity
58.48966	0.4
59.01375	8.5
61.98835	5.0
63.02395	0.9
65.00338	0.8
70.82767	0.4
70.83085	0.8
71.01378	1.5
72.43792	0.4
73.75848	0.4
82.87668	0.4
83.01394	1.3
89.02476	2.4
96.96009	0.5
101.02444	1.1
107.01389	1.4
113.02467	1.0
119.03463	0.6
124.01631	0.5
130.45396	0.5
148.01695	1.2
149.02444	3.8
150.03172	1.3
151.00369	5.1
161.02477	0.4
161.04549	0.8
167.95889	0.4
175.03896	0.5
175.05403	0.4
179.05652	0.7
183.88161	0.5
187.03961	0.6
189.51099	0.4
191.03461	0.8
209.11879	2.3
211.04074	0.5
215.03487	1.3
227.03482	0.9
233.04536	0.6
243.03032	1.1
255.02979	1.3
256.03751	0.8
271.02490	0.7
272.03232	6.3
283.02414	0.5
283.40417	0.4
299.02032	0.7
300.02725	75.6
301.03488	55.7
302.03949	2.7
343.04547	1.2
403.19647	2.1
463.08777	100.0
464.09128	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	461.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.2
59.01375	100.0
61.98833	2.3
64.68555	1.6
69.72423	9.4
72.56425	1.5
75.00861	3.6
78.95905	1.9
83.01429	1.6
96.96039	2.1
109.06580	3.2
113.09773	3.6
123.45521	1.5
125.09686	3.0
125.67538	1.6
134.03795	2.0
147.94226	1.6
151.11263	2.8
163.11275	2.3
165.12808	4.7
167.10797	3.5
178.25957	1.7
181.12311	4.7
185.02150	2.7
191.10771	2.9
197.11844	4.5
200.24092	1.5
207.10249	9.0
209.11809	20.4
218.79263	1.8
225.11331	6.0
227.12782	4.6
247.20734	2.5
265.21875	1.8
291.19638	21.6
293.21179	30.0
309.20566	9.5
461.20554	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	461.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99427	0.6
57.03453	1.0
58.00592	0.8
59.01377	100.0
60.01725	1.5
61.01804	0.7
61.98829	21.6
69.54314	4.9
71.01384	8.9
73.02958	3.9
83.01392	1.6
83.05016	0.9
85.02935	4.3
89.02438	5.0
91.04005	11.5
97.02955	1.1
97.06619	1.4
97.38325	0.6
99.00880	1.0
101.02460	5.4
109.06610	2.3
113.02458	3.9
119.03499	1.1
125.02457	0.8
137.09708	1.1
137.40747	0.7
153.12946	1.2
161.04562	1.9
163.11259	1.8
171.10223	5.1
179.10789	0.8
183.13910	1.5
196.05247	5.8
197.11827	1.9
207.10240	9.2
211.13393	6.2
221.11754	1.7
224.04770	14.2
225.11340	7.1
225.14890	1.6
229.14445	3.9
239.07115	52.6
239.12724	1.8
239.75406	0.7
240.07486	3.4
251.61864	0.7
253.09340	2.4
255.02975	2.0
283.02493	1.6
284.03317	4.6
291.19797	2.9
299.05530	6.7
299.08331	0.7
309.20706	11.2
327.21722	42.6
328.22217	2.4
401.21228	1.4
401.25641	2.5
419.26605	3.2
433.50165	0.9
461.11099	3.2
461.19809	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98816	3.4
62.03904	0.8
69.15414	9.9
78.95907	1.3
83.01387	1.0
109.06641	0.9
119.25208	0.8
125.09685	1.7
129.02013	0.9
129.75464	0.8
137.02249	1.0
139.11288	1.0
165.12848	1.9
167.10789	2.5
181.12273	2.2
193.15886	1.4
207.10216	2.9
209.11821	14.5
210.12193	1.1
225.11275	2.2
229.40967	0.9
247.20598	3.0
273.18390	1.4
275.20123	1.0
291.19641	17.1
292.19885	1.2
293.21136	4.9
301.02914	2.1
309.20593	8.6
461.20926	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.9
58.00581	2.2
59.01376	63.7
61.98827	3.4
69.15095	0.6
69.62227	1.4
69.62633	2.8
71.01379	32.7
72.99298	2.6
73.02942	19.8
77.90026	0.6
83.01376	1.6
85.02943	7.0
87.00862	2.8
89.02439	39.2
90.02795	0.6
93.03433	1.0
95.01374	2.8
98.20670	1.4
99.04517	20.7
101.02436	16.1
107.05074	0.9
109.06531	0.7
113.02433	12.0
119.02670	1.0
119.03492	16.7
131.03453	1.7
139.20013	0.6
143.03470	2.7
149.04575	1.3
151.04120	0.9
161.04521	2.7
179.05594	7.6
181.12141	0.7
207.13748	1.0
208.17039	0.7
225.11264	2.3
257.08060	1.2
257.11786	17.6
258.12054	1.5
258.93353	0.7
276.98389	0.8
281.17545	100.0
282.17902	5.8
290.64224	0.8
305.23764	0.8
401.21552	1.1
461.23990	15.5
462.24417	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.9
58.00581	2.2
59.01376	63.7
61.98827	3.4
69.15095	0.6
69.62227	1.4
69.62633	2.8
71.01379	32.7
72.99298	2.6
73.02942	19.8
77.90026	0.6
83.01376	1.6
85.02943	7.0
87.00862	2.8
89.02439	39.2
90.02795	0.6
93.03433	1.0
95.01374	2.8
98.20670	1.4
99.04517	20.7
101.02436	16.1
107.05074	0.9
109.06531	0.7
113.02433	12.0
119.02670	1.0
119.03492	16.7
131.03453	1.7
139.20013	0.6
143.03470	2.7
149.04575	1.3
151.04120	0.9
161.04521	2.7
179.05594	7.6
181.12141	0.7
207.13748	1.0
208.17039	0.7
225.11264	2.3
257.08060	1.2
257.11786	17.6
258.12054	1.5
258.93353	0.7
276.98389	0.8
281.17545	100.0
282.17902	5.8
290.64224	0.8
305.23764	0.8
401.21552	1.1
461.23990	15.5
462.24417	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05793	0.9
54.45933	0.9
57.03439	2.3
59.01370	4.3
61.54557	0.9
61.98824	2.4
71.53214	0.9
74.92403	0.9
78.95912	8.5
79.48644	1.0
83.75781	0.9
92.99691	0.9
98.28876	1.0
103.09745	1.0
104.32928	0.9
104.81882	0.9
109.06591	1.7
110.98525	5.5
113.09729	15.3
133.02948	1.3
163.11382	1.0
167.01147	3.4
167.10782	2.7
171.10269	2.2
175.04016	1.1
185.02106	5.4
192.68250	0.9
195.13916	1.9
207.10277	3.1
209.59203	1.0
216.02930	1.0
225.11317	2.8
249.22195	2.2
275.20111	3.3
293.21204	100.0
294.21658	7.8
355.15170	1.1
461.23190	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17025	0.7
59.01378	5.2
61.98825	7.4
67.56062	0.7
68.17392	0.7
69.67536	1.8
69.67953	3.3
78.95903	34.1
84.02132	0.8
104.97432	1.1
109.06583	1.5
110.98528	26.8
122.26091	0.7
152.99496	0.9
165.34174	0.8
167.01137	24.3
171.10254	0.8
179.14357	1.3
185.02179	6.0
195.13901	14.8
196.14523	1.6
205.12201	1.6
207.10284	5.1
209.11728	0.8
223.13423	8.9
225.11269	2.8
228.13617	1.3
253.09227	1.1
256.13220	2.1
275.20145	6.2
293.21216	100.0
294.21515	5.9
324.44315	0.8
392.16138	1.9
461.23117	78.2
462.23508	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	461.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21706	0.4
54.08101	0.4
59.01376	4.5
60.01690	0.7
61.01773	0.5
61.98830	15.2
62.15458	0.5
69.03448	0.5
70.78700	1.2
70.79025	0.5
78.95488	0.9
78.95905	10.6
79.75773	0.5
93.48371	0.5
93.82584	0.4
94.97102	0.5
104.92294	0.5
107.74256	0.5
110.98525	8.1
113.09694	0.6
152.99536	0.7
163.11226	0.5
167.01167	4.9
167.10750	0.7
172.95526	0.5
177.12860	0.7
179.14378	1.6
181.12325	0.7
185.02184	7.1
195.13895	10.8
196.14339	0.8
205.12334	0.9
207.10245	1.5
211.13380	0.8
223.13391	9.3
225.11310	1.4
228.13678	1.0
231.21204	0.6
253.09328	0.6
255.02780	0.7
256.13123	1.9
265.21945	0.7
275.20157	5.5
291.18616	0.7
293.21216	100.0
294.21521	6.7
343.93326	0.6
392.15912	0.6
461.23129	31.6
462.23212	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31018	0.6
56.59945	0.5
57.03441	1.8
59.01378	100.0
60.01719	1.0
61.98832	3.4
66.97311	0.6
67.18938	0.6
67.72602	0.5
68.87904	0.5
71.01372	6.6
72.99306	2.1
73.02949	3.2
75.00871	4.5
83.01373	0.8
85.02938	3.8
85.80679	0.5
87.00881	1.1
89.02437	3.4
95.01516	0.6
96.96055	0.9
99.00953	0.9
99.04555	1.1
101.02435	3.5
109.02985	0.6
113.02447	3.5
116.92892	1.0
119.03545	0.7
121.02955	3.6
125.02353	0.7
126.36855	0.6
135.02773	0.6
151.04099	0.6
161.04575	1.8
163.07684	0.9
170.04649	0.6
203.10815	0.8
206.81848	0.7
207.10313	1.8
221.11891	1.9
225.11295	6.3
229.02351	0.7
239.12976	1.0
249.06175	1.3
253.09369	0.8
255.02982	2.7
283.02469	3.2
284.03253	2.0
285.04114	1.3
298.04935	2.1
299.05722	2.4
313.12122	0.9
359.16937	0.6
398.65289	0.6
401.17755	1.4
401.22366	1.2
461.10840	4.9
461.14966	0.6
461.20654	1.9
464.81210	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84527	0.6
55.29699	0.7
59.01378	16.7
61.98826	13.3
65.56016	0.7
71.01379	5.0
73.02954	1.5
74.43119	0.7
76.46705	1.0
78.95922	0.9
80.02680	1.5
81.03475	1.8
83.05042	2.9
85.02960	2.0
87.00891	0.9
87.57864	0.7
89.02465	3.4
95.05052	0.8
96.96013	0.7
97.02949	6.1
99.00894	1.5
101.02425	4.4
109.02953	1.0
109.06591	28.9
109.95565	0.8
110.03750	1.7
110.98506	0.8
111.04498	1.2
113.02470	2.5
119.03499	1.2
121.06599	2.3
125.09684	0.8
134.19984	0.9
135.08183	3.0
136.05350	1.5
142.02722	2.9
161.04549	2.0
161.09717	1.8
163.11275	17.0
181.12323	4.7
187.05391	0.7
189.09250	1.6
207.10246	100.0
208.10608	2.5
209.11783	1.0
225.11311	54.5
226.11661	2.2
235.17027	0.8
243.12254	1.1
253.09270	18.4
283.02554	0.9
293.17648	1.6
293.21039	1.7
299.15149	1.7
356.39175	0.8
461.20215	58.4
462.20654	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	461.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03209	1.5
51.20536	1.5
57.03446	100.0
59.01379	48.5
69.84963	6.4
71.01381	5.5
73.02949	5.3
74.40655	1.3
81.03453	6.0
83.01366	3.5
85.02962	1.6
89.02432	1.6
92.50269	1.4
96.96007	1.4
98.20694	1.4
98.85410	1.3
99.04515	50.7
101.02436	29.6
125.02463	16.8
137.02466	1.9
151.00368	1.8
153.01935	14.7
153.05573	1.8
164.04768	2.4
165.01924	14.1
166.02606	2.0
166.05385	1.4
168.04280	10.4
179.07185	6.8
180.04272	15.0
183.06604	38.1
191.03528	2.1
192.04312	2.4
195.06606	54.6
207.06659	3.1
209.04521	2.8
243.08669	10.3
299.11285	1.4
317.12366	3.2
339.14722	2.0
341.12332	4.1
359.13351	6.2
399.16449	9.6
400.16751	1.5
461.16852	22.1
462.17090	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20293	0.4
57.03455	0.8
59.01378	100.0
60.01708	0.6
61.98819	1.1
67.68283	0.4
69.12824	0.4
71.01379	2.6
71.46150	0.3
71.53005	0.5
73.02954	0.6
75.00871	0.6
83.01417	0.4
85.02953	0.9
87.00848	0.4
89.02447	1.7
95.01441	0.3
97.02937	0.4
101.02460	1.3
113.02458	1.4
119.03492	1.0
128.03555	0.5
143.03513	0.4
151.11287	0.4
161.04552	0.9
176.71489	0.3
179.05652	0.6
207.10233	0.6
211.06226	0.5
220.10004	0.3
221.11896	1.2
225.11316	2.0
239.12921	1.4
242.65172	0.4
249.06259	0.8
270.09073	0.4
284.03506	0.5
285.04031	2.9
299.05417	0.8
363.10770	0.6
461.11475	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83663	0.5
59.01377	16.1
61.98821	2.3
63.02400	1.0
65.00317	5.8
68.31435	0.5
69.16505	5.8
71.01392	1.4
73.02934	1.1
83.01377	3.2
93.66228	0.5
101.02438	1.5
107.01385	9.9
113.02434	0.8
115.14323	0.5
118.73003	0.6
120.62582	0.6
151.00359	27.6
155.05034	0.6
179.03467	0.7
183.04530	1.7
198.03200	0.7
200.01051	0.8
211.04002	2.8
212.04619	0.8
214.02655	0.6
215.03352	0.6
216.04326	0.6
224.61194	0.6
227.03505	2.1
231.06604	2.1
240.04323	3.5
241.05023	1.8
254.02151	0.8
255.02972	59.7
256.03430	3.9
269.04541	3.9
270.05298	1.0
283.02451	62.5
284.03189	26.2
285.03671	2.0
298.04816	34.5
299.05576	77.4
300.05954	3.8
333.08313	0.7
341.06735	0.6
401.25369	1.4
461.10867	100.0
462.11218	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	461.109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.9
59.01379	19.1
59.17479	0.3
60.01698	1.0
61.01797	0.5
61.98832	9.2
64.30689	0.4
65.00321	5.8
69.30022	2.2
70.44768	0.3
71.01380	3.0
72.99297	0.5
73.02921	0.9
83.01364	1.3
83.05064	0.3
85.02937	1.0
87.00870	0.3
89.00319	1.3
89.02422	0.8
89.03961	1.6
91.01897	1.5
93.03459	0.9
97.02952	4.8
98.19845	0.5
99.00871	0.7
101.02448	2.3
108.02151	0.4
109.06572	1.4
113.02446	1.6
116.29520	0.3
119.03497	0.4
121.02953	2.3
123.04548	0.5
123.63210	0.3
125.02440	8.7
133.02960	9.0
137.02434	0.7
137.72423	0.3
139.04004	0.5
144.04460	0.3
147.00792	0.4
149.02400	1.0
149.99571	2.1
151.00406	0.5
151.04082	0.3
152.01137	0.4
159.00862	0.3
161.04507	1.0
163.00424	0.6
163.11229	0.6
165.01932	35.3
166.02274	1.4
170.06155	0.4
172.07646	2.8
175.04019	0.5
178.02797	0.5
181.23044	0.3
186.03194	0.3
196.05309	0.7
196.07539	0.7
198.03256	0.6
198.05580	1.2
199.04022	0.4
200.04750	0.3
201.01906	0.6
207.10263	3.4
211.03981	0.7
212.04735	2.3
213.05534	0.9
214.02696	4.2
214.08778	1.6
216.04221	0.6
217.09755	0.3
223.04083	0.7
225.11279	2.8
227.03409	0.7
228.04254	0.5
229.05045	8.0
231.06683	1.6
239.03474	1.2
239.07060	0.4
240.04309	6.0
240.06631	0.8
241.04643	0.4
242.02226	1.1
243.02789	0.5
243.06635	1.1
251.71538	0.3
253.09239	0.8
255.02968	4.2
255.06592	1.8
255.66533	0.4
256.03806	2.4
256.06403	0.4
256.07257	0.3
257.04587	1.6
271.06088	7.4
281.04385	0.4
282.07706	11.2
283.02484	3.5
284.03192	5.1
285.03821	0.6
298.04810	1.2
299.05585	100.0
300.05862	4.7
300.08786	5.3
315.18103	0.4
401.21313	0.6
461.10797	6.2
461.20236	1.2
461.24982	0.5
462.11649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02313	0.6
57.03447	1.0
59.01379	10.6
61.98814	1.6
69.68279	3.1
71.01375	3.2
73.02950	2.7
85.02949	1.3
88.98834	2.6
89.02471	2.9
99.04501	0.7
101.02436	2.5
107.01426	0.7
113.02409	0.8
121.02950	0.6
141.89177	0.5
148.01654	0.6
151.00362	2.7
161.05952	0.5
162.92314	0.6
175.03976	0.6
183.04549	0.7
199.03876	0.7
207.10231	1.3
211.03984	1.4
225.11363	1.7
227.03482	1.5
239.03447	1.4
240.04311	1.2
241.04936	1.2
255.02962	34.5
256.03558	2.7
257.04556	1.5
257.08139	1.5
268.03790	1.3
269.04529	17.3
270.04874	1.0
280.16293	0.7
281.17560	4.8
283.02469	29.1
284.03232	39.0
285.03922	11.6
295.02536	1.4
297.04010	38.2
298.04694	7.3
299.05576	42.2
300.05936	2.7
313.03391	1.8
393.42361	0.6
401.21759	0.8
446.08362	1.3
461.10861	100.0
461.24469	4.7
462.11160	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	461.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01110	0.5
59.01377	7.1
61.98836	2.3
64.33157	0.4
69.99265	1.0
71.01366	1.5
76.90227	0.3
85.02934	0.9
87.00843	0.4
88.77745	0.3
89.02456	0.8
101.02435	1.0
107.01405	0.4
109.06510	0.3
113.02449	0.8
121.02886	0.3
151.00401	0.9
160.01616	0.5
161.02412	1.3
161.04500	0.4
169.02982	0.5
183.04480	0.8
183.13809	0.5
185.02457	0.7
198.03171	1.7
199.04008	0.8
201.01997	0.4
202.02621	0.8
207.10272	0.7
211.04022	1.1
214.02766	0.7
215.03444	0.4
225.01909	0.6
225.11349	1.8
226.02699	8.9
227.03464	5.6
241.04948	1.1
241.38741	0.4
242.02277	1.3
243.02969	1.9
253.01424	2.4
254.02136	0.4
255.02971	28.7
256.03436	1.1
257.08231	0.5
269.04565	2.2
270.01709	4.6
271.02484	5.0
283.02466	31.8
284.03165	4.8
285.03992	8.8
286.04468	0.7
297.03940	0.4
298.01340	0.8
298.04813	16.8
299.01950	3.6
299.05530	5.3
312.02759	0.5
313.03522	18.7
314.04163	1.8
327.05118	0.5
328.05710	2.5
329.06277	0.4
341.06738	0.4
359.07935	0.8
401.21689	0.6
403.06595	0.8
431.06146	16.5
432.06503	1.2
433.11407	0.5
446.08499	11.6
447.08765	0.8
461.10864	100.0
462.11139	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	460.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21288	0.3
57.23655	0.4
59.01372	2.1
61.98828	100.0
62.25581	0.4
85.12708	0.4
101.02468	0.5
103.62931	0.5
109.06586	2.2
111.19891	0.4
118.47882	0.5
118.65700	0.4
121.10027	0.4
128.92735	0.5
163.11351	1.2
207.10257	6.5
207.12131	0.6
225.11284	3.7
232.10098	0.4
240.34276	0.4
253.09357	1.3
285.13498	0.4
461.20251	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	461.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.3
65.00330	0.5
69.40889	2.1
70.08281	0.3
71.01375	1.1
77.76872	0.3
89.02432	1.6
97.02957	0.5
99.04522	0.4
101.02428	1.0
104.26745	0.3
109.06622	1.6
113.02438	0.5
119.03529	0.4
132.02199	0.4
146.49362	0.3
149.02464	0.4
151.00345	0.6
160.35443	0.3
161.04547	0.4
163.11266	1.2
168.81235	0.3
181.12355	0.4
183.04369	0.4
185.02325	0.3
207.10249	6.7
208.10538	0.4
214.02374	0.3
225.11324	3.9
227.03558	0.7
253.09291	1.0
255.02971	79.5
256.03375	4.6
257.08081	0.6
268.03717	1.0
269.04565	4.3
271.02380	0.4
281.17490	2.0
283.02460	56.6
284.03146	13.2
285.04004	2.4
297.04010	13.1
298.04785	16.5
299.02267	0.6
299.05533	9.3
300.05908	0.6
313.03522	4.2
327.05371	0.5
384.72589	0.4
446.08521	19.8
447.08865	1.5
461.10876	100.0
462.11188	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	459.2903
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
61.98835	0.4
64.04287	0.3
70.15473	0.3
70.74521	0.8
74.37970	0.3
94.23412	0.3
98.99032	0.3
107.05025	28.5
108.05327	0.8
124.57873	0.3
131.26582	0.3
149.57477	0.3
163.11276	100.0
164.11575	2.7
208.25592	0.3
238.10059	0.8
265.12268	0.4
280.14731	0.6
283.17023	29.6
284.17334	1.5
295.17023	15.0
296.17313	0.8
357.07312	0.3
459.29010	85.8
460.29355	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	460.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98032	1.2
59.01379	2.9
61.98831	1.3
69.39336	4.4
71.01377	2.6
75.00871	0.8
77.19921	0.6
79.38239	0.5
81.03450	2.0
82.02968	1.5
83.01380	2.0
83.06081	0.5
83.69891	0.5
84.97533	1.0
85.04061	9.0
87.05626	1.6
88.04039	1.1
96.00386	0.9
97.01168	20.1
97.60963	0.6
109.02944	0.7
113.02438	0.7
117.00149	1.7
124.01622	0.9
124.04007	1.1
127.05132	2.3
128.03534	22.5
129.03851	1.1
132.23409	0.6
135.00887	0.8
135.05701	0.8
138.05557	0.7
139.04036	1.5
141.00154	58.1
152.08327	1.2
153.06728	0.8
157.06174	14.3
159.07671	0.8
161.04604	0.7
166.06200	1.1
173.02756	100.0
174.03081	2.2
179.04538	1.4
193.06201	0.8
196.07323	3.3
212.05156	0.6
224.10475	0.8
225.11299	0.9
228.42645	0.6
242.11499	0.9
255.03029	1.0
268.09406	4.9
284.03198	3.1
285.10831	1.0
286.10413	32.0
287.10815	1.5
290.10397	0.6
299.05481	4.2
320.09164	1.6
385.61615	0.5
428.10913	0.9
442.12729	1.3
460.13889	11.7
461.11047	2.5
463.58252	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57274	0.3
57.03452	0.7
58.00597	0.5
59.01377	100.0
60.01713	1.1
61.98502	0.4
61.98829	7.5
69.03468	0.5
71.01379	16.7
71.54221	0.6
72.01720	0.5
72.99326	0.8
73.02946	13.4
81.84855	0.3
83.01375	4.7
85.02947	4.8
87.00871	0.8
89.02439	5.3
95.01398	1.3
97.02956	0.5
97.06636	0.4
98.64822	0.3
99.00859	0.4
101.02440	15.8
113.02447	10.7
113.03242	0.4
119.03495	2.5
125.02505	0.5
131.03537	1.4
143.03456	1.6
149.04590	1.0
161.04552	5.0
172.81497	0.3
179.05638	0.7
181.84315	0.3
211.07640	0.7
211.13353	0.6
240.04330	1.0
255.06703	0.9
327.21790	2.0
399.23828	2.8
417.25137	1.4
459.12158	0.4
459.26389	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
59.01377	100.0
60.01721	0.8
61.98829	2.5
69.46075	1.5
69.46486	3.8
83.01427	1.4
97.06577	1.4
125.09754	1.4
137.09787	1.2
163.11304	1.6
167.10797	2.0
171.10280	1.1
185.11844	1.9
191.14490	2.9
204.22813	0.8
205.39290	0.8
207.10460	1.3
209.11798	8.8
211.13460	0.8
240.22276	0.7
245.19081	5.0
245.64078	0.8
274.96466	0.7
289.18063	12.7
291.19980	2.0
307.19092	4.9
434.94986	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90639	1.5
57.03455	1.7
59.01376	100.0
61.98832	12.8
71.54149	1.7
73.02942	1.8
73.42963	1.6
78.95901	2.4
97.06596	2.2
110.98526	2.0
121.02957	3.7
127.87750	1.8
167.10822	4.1
185.11824	3.0
189.46738	1.5
191.14345	3.0
209.11790	10.3
225.11510	2.1
245.19125	8.1
289.18161	13.7
290.18436	1.6
291.19702	21.8
292.20029	1.4
302.37613	1.5
307.19113	6.8
396.17334	4.2
401.08508	1.9
459.21469	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	459.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24668	0.6
59.01379	100.0
61.98842	3.4
71.01382	12.4
73.02941	1.6
74.41489	0.7
79.74095	0.6
82.24828	0.6
83.35957	0.7
85.02957	2.2
87.00871	0.8
88.86944	0.8
89.02442	20.0
97.02934	0.8
101.02441	7.5
109.32493	0.7
113.02454	5.3
119.03504	9.0
121.02962	1.4
131.03499	1.4
142.89142	0.7
143.03539	2.1
149.04539	1.0
161.04526	5.4
163.90675	0.7
173.78476	0.9
179.05585	8.5
189.86047	0.7
255.10989	0.7
325.20303	1.1
344.85419	0.8
399.24115	3.4
401.08893	1.3
459.27017	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	459.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91886	0.1
55.01880	0.3
57.03446	0.7
58.00584	0.2
59.01377	11.5
60.01693	0.2
61.98829	0.7
63.59206	0.1
69.03455	1.7
70.91216	0.3
71.01378	4.5
71.05026	0.8
72.99295	0.3
73.02934	1.0
81.03456	0.1
83.01381	0.4
83.05028	0.4
85.02947	1.2
85.06585	0.5
87.00864	0.7
89.02448	3.8
93.03446	0.2
95.01403	0.4
95.02409	0.1
95.05009	0.3
97.06623	0.2
99.00865	0.2
101.02440	4.2
103.04039	0.1
108.05796	0.2
109.06586	0.5
111.08154	0.2
112.46406	0.1
113.02445	1.8
119.03510	1.1
121.10205	0.1
123.08147	0.3
125.02464	0.2
125.09723	0.4
131.03484	0.2
133.05060	0.2
135.11783	0.4
137.09653	0.1
141.09193	0.2
143.03496	0.4
148.96089	0.1
149.04666	0.1
149.09718	0.5
153.09259	0.1
161.04547	1.8
161.13393	0.4
167.10777	3.0
168.11131	0.1
177.12848	0.6
179.05551	0.6
179.10802	1.3
179.14397	3.1
180.14742	0.2
180.48746	0.1
187.11407	0.2
195.13889	10.0
196.14294	0.4
205.12326	9.7
206.12668	0.4
223.13379	100.0
224.13718	4.5
235.08157	0.6
253.09273	16.7
254.09702	0.7
399.23947	0.4
429.08005	0.1
457.71622	0.1
459.22321	5.9
460.22678	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16764	0.3
57.03448	0.6
59.01379	100.0
60.01713	1.1
61.98829	7.4
70.91321	0.7
70.91658	0.4
71.01382	5.9
72.99309	0.5
73.02945	2.1
75.00903	0.7
83.01406	1.1
85.02944	2.2
87.00883	0.7
89.02441	2.3
99.00882	0.5
101.02433	3.9
106.17622	0.3
109.74084	0.3
113.02415	2.8
113.95281	0.4
119.03513	1.1
121.02982	1.6
133.93184	0.4
143.03467	0.5
161.04558	2.4
174.01640	0.5
223.13638	0.4
237.14978	0.8
249.05890	0.4
255.06703	0.6
267.07144	0.5
288.29391	0.3
327.21823	0.4
357.19351	0.5
399.24002	1.9
415.20053	0.6
459.22116	4.6
459.65643	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98851	3.4
68.21936	2.0
70.14028	1.9
71.01367	21.3
73.02943	35.3
79.89532	1.9
83.01384	9.4
85.02946	7.5
87.00837	3.1
89.02458	8.8
96.96043	2.6
99.72092	2.2
101.02439	31.6
113.02448	16.0
119.03487	6.9
129.38672	2.2
131.03513	4.7
143.03513	3.8
161.04536	6.8
161.52737	2.2
166.05060	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.187
Annotation	Dendromoniliside B
Peak:m/z	Relative Intensity
50.96292	0.3
55.01864	0.5
57.03445	4.2
58.00590	0.5
58.13943	0.3
59.01377	16.8
60.82090	0.3
61.98825	0.5
67.01891	0.6
68.99807	0.6
69.03449	1.6
71.01381	16.4
72.99302	3.1
73.02943	1.6
75.00869	10.9
81.15154	0.3
83.01386	1.5
83.05007	0.7
84.02185	0.4
85.02948	19.9
86.03265	0.4
87.00877	5.1
89.02439	2.9
95.01383	4.6
97.02913	0.6
97.06577	0.8
99.00876	8.2
99.04534	0.7
101.02415	0.8
103.00365	1.3
109.06600	0.5
111.00883	1.2
111.08157	3.0
112.01685	0.6
113.02444	18.5
114.02763	0.3
115.00372	1.5
117.01935	1.7
127.04008	0.8
129.01929	1.3
139.00450	0.4
146.50412	0.3
157.01413	0.9
163.11259	0.7
165.12836	18.3
166.13148	0.6
175.02412	1.5
181.12334	0.8
183.13885	100.0
184.14232	4.0
187.06137	0.5
191.10760	1.0
193.03502	1.2
205.07187	3.0
209.11810	6.5
210.12111	0.5
227.12869	9.2
231.04982	0.4
249.06078	3.3
301.16501	0.9
305.67813	0.3
325.20016	0.5
415.19693	54.8
416.20038	4.4
441.17709	0.9
459.18692	57.0
460.18964	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	459.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
59.01376	100.0
60.01704	1.0
61.98823	1.6
65.10629	0.4
67.50430	0.4
69.38340	0.4
71.01384	3.4
71.53278	0.6
73.02946	1.1
75.00888	0.4
83.01393	0.5
85.02953	2.0
89.02465	1.3
96.92846	0.4
101.02466	1.4
113.02446	1.4
119.05143	0.6
125.02451	0.5
137.02484	0.4
143.03494	0.8
161.04593	1.7
165.09224	1.0
180.07924	0.5
195.10143	0.4
265.08719	0.5
266.78189	0.4
276.81976	0.4
327.08823	1.2
339.14334	2.8
357.15390	2.6
399.16592	6.3
459.18884	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00794	0.6
58.60817	0.5
59.01379	9.1
61.98829	0.8
68.19326	0.6
68.93832	0.6
71.01378	7.5
71.51040	0.6
73.02945	46.6
75.00864	1.7
85.02949	1.6
87.00883	1.6
89.02441	8.5
98.26853	0.6
99.00884	5.9
101.02453	3.3
103.00378	1.7
104.03471	0.5
113.02405	3.4
116.92947	0.9
117.01939	100.0
118.02286	1.7
118.05118	2.0
119.03522	3.1
133.05084	7.4
140.75912	0.6
143.03497	0.7
147.06625	1.7
149.04576	2.8
149.89825	0.6
160.06116	0.7
161.04544	1.4
166.05084	0.8
179.05624	4.2
191.05568	4.8
221.06651	0.5
238.32317	0.5
249.73349	0.6
279.00421	0.5
279.10852	2.0
341.10870	12.7
341.14807	0.8
342.11191	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48263	0.3
59.01368	0.9
61.98828	1.2
69.21633	0.4
69.45631	2.4
71.01356	0.8
73.02941	36.0
74.03278	0.6
96.95991	0.7
97.52813	0.4
98.19846	0.7
99.00868	5.0
108.80655	0.4
116.92852	3.5
117.01934	100.0
118.02250	1.3
133.05055	0.7
140.34525	0.4
160.71552	0.3
251.90497	0.4
341.10962	1.3
445.35809	0.5
459.12051	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06345	0.4
57.03426	0.6
59.01378	38.7
60.01717	0.5
61.98826	6.2
65.00327	0.5
68.99795	0.4
71.01379	8.3
71.53992	0.5
72.01710	0.4
72.99305	0.9
73.02944	5.1
75.00890	0.6
83.01380	1.6
85.02940	2.6
87.00871	0.8
88.04024	1.1
88.98818	0.4
89.02435	3.9
93.03483	0.6
95.01400	0.9
96.58786	0.4
96.96008	0.8
99.00877	1.0
99.04504	2.2
100.56853	0.4
101.02437	6.0
107.01328	0.6
107.05022	4.3
108.02168	1.1
113.02428	3.5
119.03475	1.0
119.05026	0.6
121.02959	0.9
123.04498	0.9
125.02408	0.8
129.01868	0.6
130.38202	0.4
137.02458	0.5
143.03499	0.6
147.04529	4.3
149.02473	3.0
149.06062	13.1
151.00327	4.0
152.01158	1.5
161.04538	1.8
190.02687	1.7
191.03488	100.0
192.03835	3.9
195.22118	0.4
209.06694	0.6
237.14973	5.7
249.06152	1.1
255.10229	16.6
256.10669	1.0
279.15952	2.5
297.07651	47.7
298.07999	3.1
298.16806	0.5
308.46655	0.4
327.21674	0.6
338.50589	0.4
458.64740	1.1
459.22192	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	459.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06345	0.4
57.03426	0.6
59.01378	38.7
60.01717	0.5
61.98826	6.2
65.00327	0.5
68.99795	0.4
71.01379	8.3
71.53992	0.5
72.01710	0.4
72.99305	0.9
73.02944	5.1
75.00890	0.6
83.01380	1.6
85.02940	2.6
87.00871	0.8
88.04024	1.1
88.98818	0.4
89.02435	3.9
93.03483	0.6
95.01400	0.9
96.58786	0.4
96.96008	0.8
99.00877	1.0
99.04504	2.2
100.56853	0.4
101.02437	6.0
107.01328	0.6
107.05022	4.3
108.02168	1.1
113.02428	3.5
119.03475	1.0
119.05026	0.6
121.02959	0.9
123.04498	0.9
125.02408	0.8
129.01868	0.6
130.38202	0.4
137.02458	0.5
143.03499	0.6
147.04529	4.3
149.02473	3.0
149.06062	13.1
151.00327	4.0
152.01158	1.5
161.04538	1.8
190.02687	1.7
191.03488	100.0
192.03835	3.9
195.22118	0.4
209.06694	0.6
237.14973	5.7
249.06152	1.1
255.10229	16.6
256.10669	1.0
279.15952	2.5
297.07651	47.7
298.07999	3.1
298.16806	0.5
308.46655	0.4
327.21674	0.6
338.50589	0.4
458.64740	1.1
459.22192	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	459.1294
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.89086	0.4
59.01379	100.0
60.01733	0.5
61.98834	7.1
63.54780	0.4
71.01383	5.2
71.54202	0.7
73.02956	2.8
82.76154	0.4
83.01402	1.1
83.05032	0.7
83.79640	0.4
85.02960	1.7
87.00925	0.4
87.10714	0.4
89.02434	2.6
95.01401	0.5
99.00908	1.0
101.02451	4.1
113.02444	3.5
119.03498	1.0
123.04552	0.5
128.48843	0.4
143.03499	0.6
150.03023	0.4
161.04550	1.9
179.05623	0.6
183.08130	0.4
209.11797	0.6
210.06830	6.4
211.07628	69.0
212.07959	3.5
223.13417	0.9
237.14951	0.8
267.06607	0.5
399.23816	3.3
417.24945	1.4
443.22958	0.6
459.22025	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15906	0.1
55.55272	0.1
62.68082	0.1
82.94699	0.1
94.84032	0.1
99.92584	5.3
100.92677	0.4
100.93363	5.2
113.92586	0.2
115.92077	100.0
116.92091	3.5
116.92872	6.8
117.92499	0.2
120.26218	0.1
126.94928	0.3
132.92334	1.0
142.94429	0.4
155.95271	0.3
172.95464	7.5
173.95515	0.4
211.35561	0.1
223.74451	0.2
283.26450	0.9
337.18658	0.2
346.12524	0.2
383.18954	0.8
399.18610	0.4
409.20755	0.9
410.21411	0.2
439.21521	0.4
457.22592	6.7
458.22610	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65719	1.2
55.39203	1.1
59.01377	100.0
60.01706	1.4
60.73561	1.1
61.98829	6.1
71.19624	2.8
77.14945	1.2
110.26146	1.3
124.61446	1.1
125.92627	1.3
176.11929	1.1
225.53143	1.2
279.23328	3.6
297.24329	36.0
298.24597	3.0
339.25372	40.6
340.25885	2.6
456.25150	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0932
Annotation	Oroxylin A glucoronide
Peak:m/z	Relative Intensity
50.42585	0.5
51.19072	0.5
55.01605	0.5
55.01887	1.5
56.73217	0.6
57.03445	3.8
58.00615	0.9
59.01379	60.0
61.77397	0.5
61.98833	10.7
63.02433	0.7
68.99818	0.9
69.03475	0.8
70.91162	0.8
70.91499	0.9
71.01380	19.3
72.99303	2.6
73.02602	0.5
73.02927	3.0
75.00873	7.3
83.01405	1.7
84.02206	1.0
84.14312	0.5
85.02952	33.1
86.03311	0.9
86.25766	0.5
87.00874	4.6
89.02439	5.3
95.01397	10.7
99.00890	11.7
99.01541	0.7
101.02448	3.3
103.00379	5.3
107.01416	0.8
111.00848	0.9
113.02451	64.1
114.02803	0.8
115.00370	2.3
117.01945	4.8
119.03484	0.6
129.01950	2.3
137.69217	0.5
139.00356	0.7
144.70807	0.5
151.00342	1.5
157.01347	1.1
161.04610	1.3
168.72931	0.5
175.02487	12.8
191.03513	1.6
195.06691	1.1
209.11911	1.2
211.03972	1.1
223.13400	1.4
239.03490	1.9
240.04234	2.7
265.88220	0.6
267.02902	1.3
268.03751	98.9
269.04117	4.8
283.06100	100.0
284.06406	5.3
297.07739	1.1
314.51413	0.6
399.23846	2.3
417.24802	1.5
433.25702	0.6
459.09259	2.5
459.22330	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97839	0.3
58.55152	0.3
59.01377	100.0
60.01706	1.0
60.04883	0.3
60.18039	0.4
61.98832	3.7
64.87147	0.3
70.24094	0.6
70.24484	1.1
71.01382	1.7
73.02939	1.0
78.95880	0.3
79.80386	0.3
83.01414	0.3
83.02403	0.3
85.02948	0.5
89.02464	0.8
101.02457	1.5
113.02475	1.0
127.88296	0.3
143.64915	0.4
149.76112	0.3
161.04590	0.7
163.04041	1.3
178.06403	1.5
183.13911	0.5
193.08655	2.1
249.34309	0.3
325.15381	0.4
342.08292	0.3
397.22589	0.5
415.23517	0.5
457.17480	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.3
59.01378	12.3
61.98821	4.1
67.01893	1.3
68.99806	2.7
69.03465	1.1
69.79344	1.7
69.79762	3.4
71.01376	15.4
78.95883	0.9
83.01385	3.6
85.02946	15.5
87.00858	5.3
89.02442	2.5
89.03970	3.2
91.04007	1.1
95.01376	2.1
96.75842	0.9
96.96027	2.2
97.02977	1.2
98.20662	1.1
101.02426	1.6
109.02951	1.2
111.00855	2.9
111.04551	1.1
112.01688	1.0
113.02451	19.1
117.03457	9.3
119.05048	1.4
125.02441	23.2
129.01938	2.1
129.30386	1.2
133.02959	2.4
133.05037	1.7
134.03738	100.0
135.04469	3.5
139.00331	1.1
139.03983	1.0
149.02426	2.6
149.06081	10.3
157.01443	1.2
160.01662	5.2
161.02443	2.2
167.03448	3.0
175.04002	10.7
178.02786	1.0
179.03484	2.5
193.05040	74.5
194.05357	2.7
198.96999	0.9
209.04539	4.0
249.06104	3.6
253.07129	1.8
263.07718	17.4
267.08786	3.5
281.08755	38.6
282.09076	1.5
381.11823	6.0
413.10980	3.5
425.11044	7.0
444.09882	1.0
457.13464	61.0
458.13632	5.2
477.89822	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.353
Annotation	Unknow
Peak:m/z	Relative Intensity
89.11421	0.3
98.09776	0.3
101.14703	0.3
144.81711	0.3
152.15051	0.3
221.57069	0.3
229.12779	0.4
315.70074	0.3
342.11914	0.3
455.35278	100.0
456.35641	10.2
479.43723	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00355	0.6
57.03445	16.4
59.01377	20.3
61.98826	100.0
69.24607	1.9
69.25027	3.1
71.01384	3.7
73.02933	1.2
75.00869	0.9
78.95879	0.7
85.02974	1.7
89.02434	0.6
95.01331	0.6
96.21279	0.6
96.96000	1.0
99.00864	0.7
99.04513	17.7
101.02435	8.5
101.23317	0.6
113.02467	1.9
116.82722	0.7
125.02441	5.8
161.04549	1.6
213.35072	0.6
249.13440	5.8
276.59717	0.7
279.47552	0.7
285.07983	0.7
291.14624	2.1
295.06213	1.5
331.17670	0.7
393.17603	10.3
393.61746	0.7
400.54172	0.6
447.12347	1.5
456.20575	0.7
462.74161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.6
59.01363	4.5
61.98830	8.7
70.00397	5.2
70.00756	2.6
71.01369	16.9
73.02926	1.8
73.81121	1.4
84.82882	1.5
85.02950	5.0
87.00862	1.5
88.04037	49.0
89.02459	3.5
96.95999	9.6
101.02446	2.9
102.05613	5.9
114.05626	2.0
115.03954	1.7
119.05046	1.8
125.02418	4.9
132.06660	47.0
137.02376	1.8
144.06578	1.6
147.06673	7.1
149.04579	1.6
163.04033	1.8
167.03447	2.4
177.01926	3.0
191.05602	2.6
204.08759	100.0
205.09061	3.2
296.10263	1.6
341.10941	3.8
352.15894	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3526
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
58.49934	0.2
58.76640	0.2
84.36509	0.2
98.19852	0.4
126.67080	0.2
138.97040	0.2
144.93903	0.2
191.55673	0.2
407.33237	0.4
453.41055	0.2
455.35263	100.0
456.35593	11.6
465.17542	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.8
59.01068	0.6
59.01377	12.4
61.98830	12.9
69.41531	3.0
69.41875	0.7
71.01373	2.7
73.02942	1.0
78.95902	39.9
85.02937	1.2
89.02429	1.1
89.18264	0.3
96.96954	2.4
101.02444	1.0
103.04033	1.5
111.08147	1.6
113.02451	0.9
137.02419	0.5
143.05124	0.4
150.97983	0.4
152.99580	41.0
153.99928	0.6
161.04645	0.7
165.11401	0.8
165.12836	21.8
171.00652	6.7
183.13889	80.4
184.14229	3.8
209.11839	2.2
227.03246	3.7
227.12877	28.1
228.13284	1.1
245.04314	1.2
251.16447	0.4
260.22797	0.5
345.11209	0.5
363.12131	3.1
381.13251	1.2
437.15717	3.0
455.16852	100.0
456.17111	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	454.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87866	0.2
59.01376	5.4
60.01706	0.7
61.01815	0.3
61.68450	0.2
61.98827	100.0
71.01382	0.7
73.02941	0.4
75.00878	0.4
78.95925	0.4
85.02923	0.4
89.02460	0.3
96.96009	3.8
98.95599	0.4
99.92565	0.3
101.02458	0.4
113.02415	0.3
115.92075	0.5
116.92847	1.8
119.03589	0.2
135.03009	0.3
161.04631	0.3
162.05055	0.2
168.87489	0.2
179.05678	0.2
195.05136	0.4
197.94943	0.2
259.28690	0.2
305.16095	0.3
335.77475	0.2
338.78928	0.2
394.24237	0.8
455.15369	0.4
464.15115	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47028	0.3
55.38180	0.3
57.44012	0.4
59.01378	0.7
61.98830	100.0
66.46091	0.3
69.42365	1.6
69.42767	1.1
101.24145	0.4
111.95287	0.4
120.88388	0.3
171.10313	1.7
209.11824	0.9
259.97791	0.4
339.20963	0.4
353.72736	0.4
354.12741	0.4
454.79639	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00777	0.4
59.01073	0.8
59.01377	19.3
61.98827	100.0
71.01378	1.1
71.52965	0.7
73.02954	0.4
81.23339	0.4
85.02982	0.5
92.20022	0.4
99.55911	0.4
101.02440	1.2
171.10257	0.6
267.64398	0.4
305.19766	1.5
310.14630	0.5
347.20352	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85946	0.3
57.03439	0.3
59.01380	9.2
60.01718	0.9
61.01811	0.9
61.98830	100.0
62.83901	0.3
62.98538	0.3
63.47625	0.3
63.99251	0.7
65.66454	0.3
69.24018	0.3
71.01373	0.7
71.53052	0.5
75.19561	0.3
85.02953	0.6
88.98813	1.5
89.02459	0.4
96.86041	0.3
96.96033	0.9
101.02406	0.6
113.02455	0.4
116.92886	0.7
119.00086	0.3
119.03516	0.5
122.25313	0.3
125.02472	0.3
161.04585	0.4
191.84645	0.3
217.47931	0.3
249.13414	0.3
394.24844	0.4
402.01062	0.3
454.19424	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34049	0.2
59.01377	3.9
60.01701	0.3
61.01800	0.4
61.98828	100.0
63.81679	0.2
71.01600	0.4
82.07261	0.2
85.02940	0.3
89.02457	0.2
101.02443	0.3
121.60200	0.2
125.02554	0.2
182.78603	0.2
218.46492	0.2
242.49750	0.2
329.20435	0.2
334.82230	0.2
392.23624	0.3
393.24026	0.2
394.24054	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03159	0.6
57.03447	11.7
59.01377	8.2
61.98829	4.2
71.01366	2.0
71.53960	0.3
71.54305	0.3
73.02925	0.5
73.29046	0.3
75.00871	1.0
83.01412	0.3
85.02956	1.7
87.00884	0.7
87.04516	1.4
89.02438	1.4
99.00952	0.5
101.02451	1.1
103.04008	100.0
104.04349	0.9
113.02465	1.2
119.05010	0.3
121.02926	0.3
129.01872	0.5
133.02974	0.7
134.03703	0.5
135.04471	0.4
143.70598	0.3
152.01134	0.4
161.04541	0.7
177.04027	2.6
195.05086	0.7
231.06581	0.6
231.10196	0.4
253.05045	0.4
275.09250	1.0
356.07376	0.9
411.20544	0.4
411.97543	0.4
421.60071	0.4
440.82434	0.3
453.14099	2.0
453.20160	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09994	0.6
57.03450	6.1
58.92256	0.5
59.01379	44.5
60.01696	0.7
61.98829	7.6
71.01379	2.9
71.54084	0.9
73.02943	1.7
75.00879	2.3
77.88262	0.5
85.02959	2.8
87.04504	1.6
88.98806	0.6
89.02441	1.4
96.02247	0.5
96.96029	1.7
99.00894	1.0
101.02460	2.9
101.85014	0.5
102.05605	3.2
103.04009	100.0
104.04365	0.7
113.02434	1.2
119.03558	0.7
129.01970	0.8
133.02917	0.7
134.03781	0.7
135.03038	0.9
135.04500	0.7
158.04582	2.2
159.18243	0.6
161.04498	0.8
170.46988	0.6
177.04050	1.1
195.05069	1.3
206.85330	0.6
209.11795	1.5
213.89682	0.6
215.10876	0.6
227.12840	0.9
275.09213	1.2
307.17639	3.0
318.17044	2.5
334.16431	0.8
336.18268	1.7
339.84686	0.6
356.07224	1.0
453.13712	1.1
453.22507	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.278
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
57.03937	0.2
61.98812	0.7
62.96398	0.4
66.75149	0.2
69.92842	0.2
78.95900	20.1
92.99941	0.2
96.96929	0.3
111.90219	0.2
122.00096	0.7
134.98569	0.2
140.01183	5.0
152.99593	1.8
171.00589	0.4
196.03789	8.8
201.10043	0.2
214.04829	2.2
237.22211	0.2
255.23268	100.0
256.23599	5.6
407.62793	0.2
410.00128	0.2
452.27792	32.1
453.28186	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	453.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09994	0.6
57.03450	6.1
58.92256	0.5
59.01379	44.5
60.01696	0.7
61.98829	7.6
71.01379	2.9
71.54084	0.9
73.02943	1.7
75.00879	2.3
77.88262	0.5
85.02959	2.8
87.04504	1.6
88.98806	0.6
89.02441	1.4
96.02247	0.5
96.96029	1.7
99.00894	1.0
101.02460	2.9
101.85014	0.5
102.05605	3.2
103.04009	100.0
104.04365	0.7
113.02434	1.2
119.03558	0.7
129.01970	0.8
133.02917	0.7
134.03781	0.7
135.03038	0.9
135.04500	0.7
158.04582	2.2
159.18243	0.6
161.04498	0.8
170.46988	0.6
177.04050	1.1
195.05069	1.3
206.85330	0.6
209.11795	1.5
213.89682	0.6
215.10876	0.6
227.12840	0.9
275.09213	1.2
307.17639	3.0
318.17044	2.5
334.16431	0.8
336.18268	1.7
339.84686	0.6
356.07224	1.0
453.13712	1.1
453.22507	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01080	0.4
59.01378	11.8
61.98826	100.0
63.99269	0.9
69.48239	2.6
71.01379	1.4
73.02950	0.5
85.02959	1.1
89.02459	1.1
96.96001	0.4
99.00894	0.6
101.02431	2.2
113.02457	0.6
119.03490	0.5
119.95098	0.4
122.47995	0.4
161.04466	0.6
175.87556	0.4
202.41025	0.4
248.79036	0.4
278.55383	0.4
389.18146	25.2
390.18561	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	452.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.2
59.07720	0.2
60.01713	0.8
61.98827	100.0
69.51360	1.5
71.01389	0.7
73.02956	0.2
83.01383	0.2
85.02954	0.3
89.02454	0.5
96.96001	3.0
98.20586	0.5
101.02458	0.7
113.02464	0.7
161.04559	0.4
218.49333	0.2
228.69257	0.2
232.35953	0.2
267.45703	0.3
283.19324	0.3
371.52997	0.3
391.23203	0.4
392.23593	2.5
435.53555	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01700	0.9
61.98831	4.6
68.74675	0.3
69.58980	0.3
70.40187	1.1
71.01382	6.5
73.02955	1.5
83.01387	0.6
85.02927	2.2
87.00872	0.3
87.41628	0.3
89.02451	6.6
98.20522	0.4
99.00878	0.7
101.02438	5.0
111.73460	0.3
113.02464	2.8
119.03506	2.6
135.03091	0.7
143.03523	0.8
161.04553	5.4
179.05653	1.5
229.18111	0.9
391.23349	16.9
392.23862	1.0
451.18597	0.7
451.24716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
57.51987	0.6
59.01378	100.0
60.01709	1.1
61.01823	0.9
61.98829	55.2
65.24510	0.6
68.61158	0.6
69.53671	3.9
71.01382	7.1
73.02949	2.7
75.00873	1.0
85.02943	3.7
89.02431	4.9
94.98126	0.7
101.02445	7.1
103.03996	0.9
113.02441	4.3
119.03526	2.2
121.03039	0.6
123.40856	0.6
138.02058	0.8
161.04523	4.5
167.03510	3.3
199.16953	0.6
250.48450	0.7
289.07190	1.4
293.83688	0.6
319.90854	0.7
353.57217	0.6
391.23233	24.6
392.23587	2.1
407.19077	1.0
435.22141	1.5
451.12531	1.8
451.29416	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	452.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83514	0.4
59.01376	2.3
61.34480	0.5
61.98828	100.0
71.01402	0.6
72.94522	0.4
81.06162	0.4
89.02434	0.8
94.79691	0.4
113.02477	1.2
146.69208	0.4
163.93115	0.4
165.12842	5.4
183.13890	15.8
184.14220	0.5
209.11807	0.5
227.12865	34.4
228.13254	1.8
229.29268	0.5
389.18152	7.3
389.22818	0.6
390.18546	0.6
391.12488	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.1
59.01075	0.8
59.01376	23.4
61.98825	100.0
65.00331	0.9
71.01372	4.8
71.08233	1.1
71.08556	1.2
73.02985	0.9
75.00875	1.3
81.03464	1.0
83.01408	1.4
85.02954	2.2
87.00890	1.0
89.02437	4.1
95.01362	0.8
101.02445	3.1
107.01417	1.1
112.72810	0.6
113.02452	2.5
119.03513	2.5
121.02909	0.7
125.02469	8.1
126.02779	2.2
137.02481	0.8
139.09082	0.6
151.00346	2.1
152.00710	0.7
163.11278	12.2
165.01877	1.0
173.05974	0.9
174.06375	0.9
178.99844	2.7
180.00258	1.0
215.07169	1.0
216.07449	1.7
220.80557	0.7
244.06906	1.3
249.06152	1.2
259.06058	6.7
260.06442	12.7
270.04810	1.1
283.06076	1.1
284.06512	3.0
287.05597	5.2
288.05908	10.7
387.16559	45.8
388.16864	4.2
406.17981	1.3
422.11859	3.0
450.11224	3.7
451.08908	1.1
451.17706	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	450.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36510	0.3
57.03449	0.5
59.01377	9.1
60.01715	0.9
61.01794	0.3
61.98829	100.0
69.20122	2.5
71.01390	1.4
73.02944	0.6
75.00895	1.0
85.02936	0.6
85.18283	0.3
87.00907	0.4
89.02462	0.9
92.30876	0.3
101.02464	0.5
110.77663	0.3
113.02493	0.9
116.29617	0.3
135.04506	0.3
137.09753	0.4
150.60548	0.3
155.10797	0.7
156.11110	0.7
217.14528	0.6
227.03613	0.3
267.07053	0.4
286.04352	0.4
287.04153	0.5
288.05008	0.4
289.10703	0.5
391.23389	0.7
437.53177	0.5
450.10406	1.3
450.17322	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34425	0.5
50.38130	0.5
54.61934	0.5
57.03443	1.2
59.01380	27.9
60.01709	1.5
61.98830	100.0
67.98093	0.5
69.52032	3.5
71.01385	4.8
73.02962	0.6
74.50262	0.5
74.94858	0.5
83.01389	1.6
85.02956	1.4
89.02445	4.1
101.02432	2.9
107.01407	0.5
113.02486	2.3
119.03532	1.7
124.60796	0.5
125.02438	6.0
126.02809	2.0
151.00378	1.3
152.00690	0.6
163.11244	1.2
174.82742	0.5
178.99840	0.8
180.00233	0.8
206.97284	0.5
207.10236	2.9
227.12892	1.0
228.13316	1.2
259.06216	2.3
260.06378	3.6
269.04636	2.0
270.04898	3.9
287.05673	1.4
288.05963	3.1
386.34946	0.5
387.16571	40.9
388.16937	3.7
390.22388	1.0
450.11243	7.6
451.11749	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2754
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
53.20338	0.2
55.01875	1.1
57.03430	0.9
58.00592	0.4
59.01378	15.5
60.01689	0.3
61.98832	4.2
64.41502	0.2
69.03447	0.5
70.11971	0.2
70.67700	0.2
70.68056	0.7
71.01378	8.2
72.99307	0.7
73.02944	2.7
75.00871	0.3
83.01394	2.3
85.02950	3.9
86.00133	0.3
87.00863	1.3
89.02448	1.9
94.98878	0.2
95.01393	0.8
97.02964	0.3
99.00871	0.9
99.08179	0.4
101.01790	0.4
101.02441	6.0
108.02206	0.2
111.00854	0.9
113.02454	2.3
119.03535	0.3
124.01709	0.3
124.07717	0.4
125.02414	0.8
141.12845	0.6
143.03583	0.2
155.14398	0.3
161.04449	0.3
211.13364	0.3
212.13673	0.2
241.21616	0.3
247.31256	0.2
250.20389	0.2
269.21210	1.2
270.21097	0.2
285.20651	0.9
287.14053	1.1
287.22260	23.0
288.22580	1.8
301.23773	0.4
329.23312	0.5
389.21710	0.5
431.26492	3.7
432.26797	0.3
449.27512	100.0
450.27884	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	450.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62612	0.9
56.72976	0.9
57.03445	1.3
58.02979	1.6
58.99597	1.9
59.01379	27.2
60.01719	1.1
61.98830	42.2
69.61532	5.3
70.71088	1.0
71.01381	12.7
71.05010	1.2
72.99319	1.5
73.02921	1.9
75.00862	2.5
78.98581	2.2
82.02985	4.0
83.02462	1.0
85.02954	4.0
85.04075	32.2
85.04591	2.0
86.02460	1.6
87.00883	1.7
87.04530	3.4
87.05636	8.0
88.04021	5.9
88.98824	0.9
89.02460	4.9
94.13610	0.9
95.01395	1.2
96.96036	1.4
99.00890	1.9
101.02467	2.8
102.00183	3.7
103.00321	0.9
105.09770	1.0
109.04108	3.0
111.01985	1.3
112.02802	1.1
113.02464	5.1
113.03550	1.5
118.59568	1.0
119.02822	2.3
119.03545	1.6
121.02940	1.6
123.04523	1.5
125.02426	0.9
127.05140	7.7
128.03540	66.9
134.97748	1.2
135.04582	1.9
135.05630	4.2
142.54068	1.0
145.06216	2.6
149.51196	0.9
152.08311	6.5
153.06718	1.9
154.62621	1.0
157.06184	46.5
159.07744	3.6
160.38809	1.1
161.04446	1.2
166.06206	2.8
170.09486	1.8
171.07697	1.7
174.02304	10.9
178.06190	2.8
179.04594	4.2
184.04854	2.4
184.07246	2.0
191.04970	4.2
196.07256	10.9
197.05809	1.4
214.08398	2.8
224.10448	2.1
249.06148	2.7
267.07214	3.8
268.09351	3.7
271.15521	1.5
286.10431	16.3
289.07269	2.2
302.08133	3.1
320.09189	100.0
321.09235	5.8
346.10767	5.2
387.16669	2.1
388.68390	1.1
390.18445	1.2
405.20987	2.6
407.14517	4.2
450.15875	11.0
451.18704	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	449.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88755	0.2
55.01868	0.4
58.00594	0.3
59.01376	16.3
61.98827	2.4
71.01379	4.9
71.53734	0.2
71.54108	0.3
72.99257	0.3
73.02941	0.9
75.00869	0.3
83.01375	0.7
85.02933	1.8
87.00863	0.7
89.02444	4.0
95.01389	0.3
97.02951	0.2
101.01794	0.4
101.02441	4.7
106.68769	0.2
108.02157	0.4
109.03001	0.2
113.02450	2.4
115.04010	0.9
115.47408	0.2
119.03505	1.7
121.02952	0.3
125.02455	1.0
126.55931	0.2
131.03566	0.2
135.04535	0.4
143.03508	0.4
148.05316	0.5
149.04527	0.2
152.01166	0.6
152.52751	0.2
161.04518	2.2
163.07686	0.4
165.12843	0.2
179.05624	0.9
183.13892	13.5
184.14229	0.6
195.13904	12.1
196.14233	0.6
211.13406	1.3
212.13751	0.9
213.14958	100.0
214.15308	4.9
224.24568	0.2
235.08157	0.3
253.09279	21.9
254.09416	1.1
271.12778	0.2
285.04126	0.3
286.04312	0.3
287.04871	0.2
287.09164	0.8
376.97571	0.2
389.21777	0.8
389.25934	0.3
392.08728	0.2
407.26477	0.5
449.14163	0.7
449.27448	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14871	0.3
55.01869	1.1
55.24677	0.3
57.03428	1.0
57.62561	0.3
58.00594	0.3
59.01377	36.3
61.98830	2.7
70.08123	1.4
71.01382	10.5
72.99297	1.0
73.02947	3.0
75.00858	0.6
83.01395	2.1
85.02947	4.9
87.00883	1.9
87.98180	0.3
89.02448	2.4
89.02919	0.3
95.01372	0.6
99.00887	1.1
101.02443	7.7
101.32442	0.4
102.94368	0.3
109.02959	0.8
111.00860	0.8
112.01634	0.4
113.02451	3.2
119.03458	0.8
121.02979	0.6
125.02414	1.0
127.11250	0.4
129.01942	0.4
137.02452	0.5
143.03526	0.5
143.10805	0.4
161.04536	1.3
180.76903	0.3
221.19144	0.6
230.09308	0.4
241.21725	0.6
245.11841	0.5
258.61078	0.3
265.18048	0.4
269.21204	1.5
285.03888	0.4
285.20694	1.6
286.04111	1.1
287.04630	0.7
287.22260	28.6
288.22574	1.7
301.20285	0.4
301.23697	0.7
323.22601	0.3
329.23096	0.4
347.21103	0.4
389.21637	1.4
407.17264	0.6
431.26398	3.2
432.27145	0.4
449.27524	100.0
450.27899	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	449.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
59.01380	100.0
60.01706	1.1
61.98833	8.1
71.01383	4.1
73.02946	1.1
78.80502	0.4
85.02946	2.1
89.02450	3.9
99.00903	0.4
101.02441	4.0
113.00788	0.5
113.02434	2.0
119.03525	2.1
125.02441	0.9
126.52769	0.4
137.02499	0.4
143.00609	0.4
143.03545	1.1
151.03992	0.6
161.04536	2.4
167.03458	0.8
179.05563	1.9
186.96964	0.4
226.73621	0.4
387.16949	0.4
389.21866	9.3
390.22284	0.4
449.24081	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77311	0.4
59.01377	100.0
60.01723	0.5
68.45486	0.3
69.27569	0.6
69.27981	2.6
71.01389	1.7
77.29182	0.3
85.02947	0.5
87.69761	0.3
89.02431	0.7
91.56733	0.3
101.02446	1.3
112.69197	0.3
113.02467	0.6
129.87097	0.3
161.04585	1.1
266.35391	0.3
389.21808	5.6
389.26486	0.3
449.23892	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01706	1.2
61.98824	21.0
62.58338	0.7
69.27660	5.9
71.01376	19.5
72.10809	0.7
72.99306	1.7
73.02947	2.4
75.00859	1.3
83.01402	0.7
85.02948	4.6
86.59665	0.7
87.00894	1.7
89.02437	27.7
91.85892	0.7
95.01398	1.7
99.00919	0.9
101.02431	12.5
101.60932	0.8
109.02944	1.7
111.08120	0.7
113.02433	9.1
119.03486	14.3
125.02461	1.3
131.03505	1.3
137.02469	1.1
143.03493	3.4
149.04636	0.8
151.04016	1.3
153.09227	3.4
157.52512	0.7
161.04520	5.2
165.01935	1.2
165.12849	0.9
169.12360	2.3
178.63023	0.7
179.05589	11.9
183.13907	1.2
209.15503	3.0
213.11508	0.8
225.05577	2.9
226.05946	3.2
227.06219	2.4
227.12848	11.9
234.11752	0.7
237.12630	0.8
264.61279	0.7
287.09213	4.9
351.33838	0.7
389.21750	30.0
390.22110	3.4
449.20499	3.1
449.27759	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.0
58.00602	0.8
59.01378	100.0
61.98830	2.3
65.00334	1.1
71.01377	14.8
71.01734	1.3
73.02952	1.4
83.01395	1.5
85.02960	2.6
89.02448	13.5
95.01381	1.3
99.04515	8.3
99.05100	0.9
101.02435	8.7
103.55429	0.8
107.01412	2.5
109.02984	1.0
113.02464	4.8
119.03510	5.2
133.02986	1.3
135.00784	0.7
135.04527	8.5
151.00363	10.6
152.00711	1.0
161.04538	2.0
165.12813	4.8
189.12935	1.3
207.13875	9.4
209.11809	25.1
210.12224	1.3
225.14908	4.7
251.12885	4.0
269.13919	83.8
270.14261	4.1
274.63220	0.7
284.03268	6.8
285.03876	17.9
286.04095	23.8
287.04709	27.3
288.05359	0.7
389.21826	13.5
390.22318	1.3
418.46698	0.8
449.10129	30.8
449.20184	55.9
450.10559	1.1
450.20599	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	449.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93385	0.9
55.01885	7.1
57.03445	2.1
58.00593	1.7
59.01379	57.3
61.98830	70.9
63.27651	0.9
69.50903	6.0
71.01379	26.8
72.99297	1.5
73.02943	3.2
75.00872	22.5
77.76667	1.0
83.01394	3.2
85.02951	10.7
87.00866	1.9
89.02445	18.7
90.13417	0.9
91.03374	0.8
91.04008	1.2
93.03432	1.0
95.01369	3.1
99.00880	1.4
101.02440	15.6
107.05016	2.8
108.02206	1.7
109.02945	2.3
113.02444	13.1
115.04007	5.9
115.92053	1.0
116.92821	4.8
117.01895	1.1
119.03473	6.7
119.04949	0.9
121.02954	10.9
123.04462	1.2
125.02482	2.8
129.01952	6.9
132.02156	1.7
135.00853	2.0
137.02437	2.5
147.03003	4.8
149.94836	1.0
150.03207	3.3
151.04002	38.7
156.94501	1.0
161.04581	5.0
165.04048	47.8
165.05449	3.3
165.12880	4.5
167.03487	1.8
183.13892	100.0
184.14223	6.0
195.13913	7.0
209.11786	3.2
211.13437	2.2
212.13722	1.7
213.11311	1.0
213.15047	2.3
225.05644	1.3
227.12891	3.7
228.07933	3.6
237.14871	2.1
239.03659	1.9
243.10219	6.0
254.05717	1.3
267.15985	1.3
269.08212	18.3
270.08548	1.0
285.04156	1.8
286.04083	1.8
287.04495	1.7
287.05795	1.3
287.09244	25.9
287.22205	1.7
288.09781	1.7
301.16556	43.0
302.16843	2.3
357.19177	22.1
358.19785	1.8
375.20160	14.9
389.21500	2.6
449.09311	1.8
449.14386	20.0
449.20288	24.6
449.27457	10.6
450.15048	2.1
450.20721	2.3
450.28003	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.4
57.03463	0.6
58.00575	0.5
59.01376	24.4
61.98536	0.6
61.98826	6.8
63.83084	0.5
70.67274	0.9
70.67611	0.8
71.01379	7.0
71.11126	0.4
71.47758	0.5
72.99309	1.0
73.02923	0.9
75.00862	0.6
78.04787	0.5
83.01373	0.9
85.02953	2.8
85.03420	0.4
87.00840	0.5
89.02432	3.2
92.05029	0.6
93.87492	0.5
94.06635	0.8
95.01364	0.6
96.00921	1.1
96.08195	1.5
97.01686	5.5
98.06106	1.2
100.04031	0.5
101.02446	2.8
106.06590	0.8
108.04537	0.7
109.01716	0.8
109.05322	2.1
110.06106	0.9
113.02438	3.6
118.06632	2.2
119.03497	0.8
122.06105	1.1
124.07674	30.1
125.02454	0.7
125.07992	0.9
126.05623	0.9
131.03394	0.5
134.06117	2.9
136.07654	0.6
137.04768	0.7
138.05589	1.6
138.09315	0.6
147.05045	0.4
150.05574	0.7
158.06062	0.8
161.04486	0.9
162.05602	7.7
163.06354	3.7
164.66481	0.5
166.05113	0.5
176.07137	0.5
178.05084	7.6
184.97301	0.5
192.06587	0.8
194.04581	1.2
200.14444	1.1
211.13477	1.2
212.13722	1.1
213.13905	0.9
221.19086	1.9
243.15004	4.9
265.17950	0.6
269.21255	0.8
283.14496	1.2
283.19028	2.5
285.20563	0.6
287.13983	100.0
287.22211	6.0
288.14355	5.8
288.22400	0.6
301.15448	2.5
301.20132	1.5
324.05917	0.5
329.15027	16.0
330.15384	1.2
357.22861	1.9
389.21317	0.9
389.25653	0.9
407.26614	0.5
431.26367	0.6
449.09830	0.5
449.19275	5.1
449.27475	21.7
450.19788	0.5
450.27695	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1497
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01383	2.1
61.98821	2.8
62.96406	25.4
69.77071	1.8
78.95898	59.7
80.97462	32.7
99.84885	0.3
133.02960	1.8
134.03703	0.5
135.04503	3.4
149.00073	15.9
161.02434	11.0
164.07054	0.4
179.01131	1.6
179.03476	0.9
190.08041	0.3
205.15952	8.7
239.59492	0.3
241.95392	0.3
242.98283	5.8
285.12625	2.0
287.22211	1.3
355.16754	17.3
356.17047	1.5
385.17816	23.9
386.18268	1.8
431.14322	0.5
431.24347	0.6
449.14951	100.0
449.25354	8.6
450.15268	7.1
450.25299	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17328	1.0
57.03440	5.6
59.01378	46.0
61.48414	0.9
61.98828	21.6
62.53533	1.1
66.41196	0.8
68.99781	1.3
69.03442	2.5
71.01016	1.0
71.01380	17.4
71.53361	1.2
71.53732	0.8
72.99311	4.4
73.02934	3.8
75.00874	28.3
79.74289	1.0
81.03432	1.2
83.01355	2.0
83.05024	2.2
85.02955	17.6
87.00874	7.2
89.02451	7.6
91.03988	1.0
95.01385	4.9
99.00383	0.8
99.00884	9.2
101.02464	4.3
101.86085	0.9
103.00412	1.3
109.02901	3.2
109.06638	0.9
113.02452	22.6
115.00334	1.5
117.01893	2.4
119.03510	0.9
121.02968	4.9
123.59294	0.9
125.02425	5.6
129.01920	2.0
135.04485	2.7
137.02411	3.3
137.09717	27.4
149.02420	4.4
149.04529	1.1
150.03174	4.2
151.03967	2.4
155.10774	38.0
156.11029	1.7
157.01398	0.9
161.02473	1.7
161.04536	1.4
163.03966	1.9
165.05484	1.3
175.02403	3.1
175.03914	1.0
181.08672	2.6
199.09653	7.6
209.11749	2.1
227.03447	2.4
229.03833	1.3
231.05020	1.0
249.06160	10.7
255.02925	2.2
256.03265	2.6
257.03677	2.8
258.04395	0.8
267.07202	21.3
269.13873	0.9
272.06894	14.8
273.13235	2.9
284.03101	3.5
285.03870	5.6
286.03989	7.3
287.04688	6.0
287.09195	19.9
389.21832	2.3
431.15448	2.9
449.09918	18.0
449.16434	100.0
450.16776	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	449.109
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
57.03445	0.4
59.01376	17.2
61.98834	1.6
63.02415	1.0
65.00320	8.0
65.00636	0.5
69.68385	1.8
71.01388	1.7
73.02949	0.5
75.00887	0.6
83.01391	4.4
85.02971	1.2
87.00881	0.4
89.02460	1.2
93.03484	0.4
95.01404	0.5
97.01682	0.7
101.02442	1.6
107.01388	18.5
108.02189	1.0
108.99328	0.5
109.02954	5.4
113.02448	1.3
119.03492	0.9
120.08260	0.4
121.02939	1.2
124.07669	4.8
124.08538	0.5
125.02440	5.2
133.02925	0.6
134.03751	1.0
135.04520	67.2
136.04877	1.7
137.02455	2.1
148.01672	1.7
151.00362	100.0
152.00697	3.4
159.04541	0.3
161.02397	1.6
161.04509	0.7
162.03178	0.4
164.01173	0.8
165.01924	5.9
165.05588	0.6
166.02658	1.9
167.03557	0.4
169.01436	1.0
177.00516	0.4
177.01915	1.9
177.05542	0.8
195.06750	0.4
199.04062	0.4
199.13293	0.6
201.01938	0.3
209.11829	0.6
225.05493	0.5
226.06349	3.1
227.06833	0.5
241.08702	4.1
243.06404	0.4
243.14931	1.0
253.05025	0.4
254.05806	1.2
269.04602	0.5
269.08167	4.5
285.04099	0.9
286.04187	0.9
287.05515	72.9
287.09085	16.6
287.13934	10.6
288.06021	4.0
288.09232	0.5
288.14410	0.6
297.09656	0.9
303.21735	0.3
313.05371	0.4
329.14896	0.8
339.07224	0.7
386.00043	0.4
389.21555	1.0
447.27139	0.3
449.10550	24.5
449.20447	0.7
450.11032	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41065	0.7
57.03445	9.9
59.01376	6.3
59.49755	0.8
61.98824	2.3
65.00317	2.4
69.92836	1.5
69.93220	1.9
71.01387	1.3
74.60814	0.8
81.03478	1.3
83.01377	7.3
84.83148	0.8
93.03455	2.3
99.25243	0.8
105.03411	0.9
107.01392	4.8
107.05015	2.0
109.02947	1.2
117.03456	2.2
121.02948	2.5
123.04543	1.5
124.01675	1.2
125.02440	100.0
126.02799	1.8
133.02977	2.1
137.02415	1.8
139.04001	2.1
149.02440	9.2
151.00362	21.0
151.17488	0.7
152.01129	3.6
153.01918	6.9
159.04578	1.0
163.00397	1.0
165.01886	1.9
167.03426	1.8
169.06598	1.1
172.05260	1.9
173.06082	4.1
175.04050	0.8
176.01164	1.8
177.05490	2.5
178.99841	14.3
179.03473	4.9
197.06023	2.3
199.03943	1.5
199.07559	1.0
201.05559	3.0
215.07111	3.6
225.05557	3.7
237.18364	0.9
241.04935	2.3
243.06673	6.1
244.38000	0.9
259.06088	76.8
260.06378	5.0
263.28809	0.8
269.04532	69.3
270.04849	4.3
278.71725	0.8
287.05600	57.5
288.05960	2.8
311.05521	1.4
321.83206	0.9
342.05740	1.5
389.21835	1.2
421.11685	0.9
431.09970	2.3
437.77713	0.9
449.10867	78.5
450.11301	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	448.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25288	0.5
59.01366	3.0
61.98827	100.0
71.19573	1.0
74.34614	0.5
78.95911	1.8
81.76024	0.6
104.96059	0.5
105.97099	0.5
111.46865	0.5
152.99567	3.7
160.71251	0.5
162.02747	0.5
173.95490	0.5
189.98740	0.5
212.13950	0.7
220.87750	0.6
241.54570	0.6
250.03447	0.6
285.03821	1.8
286.04477	2.2
337.59372	0.5
394.80222	0.5
448.09723	1.6
448.31570	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	448.255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.6
60.72881	0.5
61.98828	100.0
71.18800	0.8
73.71700	0.5
78.95934	1.1
117.61451	0.4
132.11249	0.5
133.02994	0.7
152.99629	1.4
161.02483	0.9
212.37193	0.5
219.23204	0.5
285.03812	2.1
286.04501	1.6
404.66302	0.5
448.09747	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	7.8
58.13154	0.8
59.01379	50.0
61.98829	46.5
65.00311	4.4
65.70836	0.8
68.82450	0.8
70.68569	1.4
70.68884	1.1
71.01382	9.4
73.02945	3.8
77.03403	0.8
81.03461	3.1
83.01382	7.4
85.02951	3.3
89.02444	6.3
93.03439	3.8
96.96043	1.2
98.20004	1.0
101.02438	5.0
107.01382	5.2
107.04990	1.1
109.02946	2.1
111.08145	0.8
111.65637	0.7
113.02447	3.4
119.03530	1.3
121.02954	3.9
123.00852	0.9
123.04548	1.9
124.01662	2.3
125.02447	60.2
126.02795	1.7
131.01416	0.9
133.02931	2.6
137.02438	2.3
139.04004	1.7
143.05022	0.8
149.02408	5.0
149.04356	0.8
151.00365	20.5
152.01187	4.6
153.01949	7.4
157.06532	1.2
158.03731	1.2
159.04503	0.9
162.75517	0.8
163.11316	4.9
165.01932	3.2
167.03496	1.8
172.05292	3.4
173.06076	9.6
175.00352	1.6
175.03996	2.1
176.01164	1.3
177.05568	4.1
178.99860	17.7
179.03448	1.1
179.05653	0.8
181.01376	1.5
183.10217	2.6
186.89259	1.0
187.07591	0.9
195.03026	1.0
199.03947	0.8
199.07617	1.4
201.05545	3.9
213.05594	1.4
215.07103	9.9
225.05638	1.4
227.12842	3.5
232.60559	0.8
241.05055	2.7
243.06593	5.8
249.41444	0.8
250.64415	0.8
259.06085	100.0
260.06339	5.0
267.07315	1.1
269.04538	21.8
269.07263	1.5
270.04889	2.0
283.06094	15.7
284.06485	1.2
287.05600	66.3
288.05954	3.9
301.07199	5.8
311.05673	1.4
313.07092	1.7
322.49020	0.9
329.06717	1.0
387.16599	23.4
389.21918	2.4
405.17435	5.8
407.22574	1.1
421.11392	14.0
422.11887	1.5
449.10898	32.4
450.11255	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	448.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20931	0.4
55.98077	0.5
56.28386	0.5
59.01374	1.6
61.98829	100.0
69.52357	3.5
98.20671	1.0
117.16903	0.6
125.58199	0.5
145.02872	0.9
265.70660	0.6
270.94165	0.5
284.03061	0.6
285.03809	0.7
448.09674	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16155	0.7
59.01368	3.1
61.98829	100.0
69.64977	1.3
69.65386	3.2
78.95908	10.9
80.09882	0.8
92.28654	0.9
96.96929	1.5
98.19822	1.1
152.99564	13.3
161.02399	2.1
190.85173	0.8
241.46677	0.9
285.03714	2.2
286.04214	2.5
312.07684	1.0
448.09558	2.5
448.23242	0.9
449.23315	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	447.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.6
61.82506	0.4
68.73260	0.4
70.39443	0.3
70.84084	0.9
78.95893	5.5
87.15694	0.4
87.48853	0.3
93.79920	0.3
97.29485	0.3
97.53468	0.3
110.98520	4.5
152.99599	0.5
167.01132	2.8
185.02188	3.5
203.37793	0.4
261.22079	0.4
279.23270	100.0
280.23605	7.0
447.25116	11.1
448.25534	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30940	1.6
59.01377	22.6
59.02391	1.6
61.69753	2.0
61.98825	37.3
63.25441	1.8
69.03435	3.1
70.34915	7.1
78.95898	7.1
98.20510	3.1
133.02950	2.0
151.00424	2.7
167.10822	4.3
186.64264	1.9
195.13882	11.3
205.12286	7.2
211.13396	12.9
223.13388	100.0
224.13701	4.0
253.09341	2.1
255.02696	2.4
256.03714	2.7
284.03235	33.4
285.04013	57.0
286.04361	4.9
393.31815	2.1
405.00360	2.3
447.08942	35.6
447.14352	3.8
447.22360	2.3
447.33029	2.8
448.09512	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	448.146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.2
59.01377	10.3
60.01696	0.3
61.98829	100.0
68.55552	0.2
69.37569	1.7
71.01374	1.3
73.02958	0.6
83.01399	0.4
85.02951	0.6
89.02457	0.6
90.64501	0.2
98.19939	0.4
101.02447	1.0
107.01392	0.3
113.02484	0.6
125.02440	0.6
139.07617	0.3
151.00439	0.2
161.04558	0.4
179.10777	1.2
183.13914	0.4
184.14244	0.3
196.80573	0.2
211.13396	3.4
212.13733	3.7
223.09749	6.5
223.11897	0.4
224.10133	0.5
247.39542	0.2
253.09317	0.6
254.09734	0.3
284.03320	0.5
285.03815	3.2
285.20740	0.3
286.04404	3.5
286.07590	0.3
287.04642	0.3
287.22308	0.9
385.14935	1.0
389.21890	0.3
448.09506	3.7
449.27609	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	15.8
60.01701	0.4
61.01818	0.3
61.98826	100.0
69.52132	1.4
71.01381	1.8
73.02940	0.4
79.96434	0.2
83.01389	0.3
85.02961	0.5
89.02435	1.5
101.02438	1.1
101.14941	0.3
113.02463	1.0
119.03513	1.0
125.02441	1.6
126.01118	0.2
128.03503	0.3
134.03767	0.7
137.02472	0.3
149.02492	0.4
151.00407	0.4
161.04527	0.5
163.00446	0.2
170.66650	0.2
179.05652	0.8
181.06042	0.3
185.36284	0.3
193.05061	1.2
259.06033	1.5
269.04550	1.5
285.03772	0.4
286.04498	0.3
287.05722	1.1
350.10696	0.3
356.43335	0.3
384.74008	0.3
389.21906	1.0
449.10837	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2385
Annotation	Ugaferin
Peak:m/z	Relative Intensity
59.01379	9.4
61.98829	6.9
62.62556	1.4
71.53452	1.2
71.53836	1.5
78.82191	1.5
78.95898	1.7
87.58952	1.5
90.20643	1.4
98.44271	1.4
117.03457	13.9
119.05027	48.0
133.02940	7.7
135.04533	8.3
135.90497	1.5
142.19241	1.3
142.63853	1.5
145.02945	100.0
146.03285	2.7
158.62410	1.6
161.02434	29.3
163.04002	36.6
211.13350	6.1
221.19020	7.6
265.18002	7.1
283.19177	11.5
284.03232	13.2
285.03961	26.6
285.20746	2.2
301.20187	21.8
327.13098	1.6
447.09433	21.6
447.23825	90.9
448.09970	2.4
448.24222	9.8
454.88510	1.5
468.57611	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85349	0.3
59.01368	0.6
63.84519	0.3
69.52390	0.3
70.37526	0.8
73.02966	0.3
78.95907	14.4
86.70570	0.3
87.81828	0.3
104.97503	0.4
110.40006	0.4
110.98536	10.0
133.37328	0.3
137.00092	0.5
167.01154	12.9
185.02188	3.6
197.46671	0.3
261.22260	0.6
279.23285	100.0
280.23633	7.1
280.83481	0.3
285.03998	0.4
294.18024	0.3
447.25156	25.4
448.25406	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	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
58.00581	0.9
59.01377	100.0
60.01735	0.6
61.98827	0.6
66.24593	0.4
69.20162	2.0
69.20594	1.9
71.01384	10.6
72.99313	0.5
73.02944	2.8
83.01399	1.4
85.02943	4.1
87.00860	0.6
89.02438	7.4
89.02946	0.6
95.01384	0.9
98.20660	1.0
99.00870	1.1
101.02444	8.6
113.02438	6.5
119.03487	3.7
123.11869	0.4
125.02459	0.6
131.03488	0.8
133.02982	0.9
133.03975	0.5
143.03526	1.5
151.00410	0.6
157.05527	0.4
159.02994	0.8
161.04549	9.8
169.35435	0.4
179.05627	1.4
210.70728	0.4
225.14993	1.2
256.03842	0.5
267.12448	0.4
284.03247	8.6
284.06030	0.5
285.04019	15.3
285.07117	0.8
358.69977	0.4
387.20215	20.5
388.20734	1.4
447.09271	10.7
447.22675	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.6
57.03444	0.8
59.01377	92.6
60.01710	1.0
61.98829	2.5
63.02439	0.5
65.00333	0.8
71.01377	10.0
72.99292	0.5
73.02950	1.7
75.00879	0.5
81.03503	0.4
82.61150	0.4
83.01398	1.3
85.02937	2.8
85.06597	0.6
87.00872	0.8
87.04404	0.4
89.02443	10.2
89.88642	0.4
95.01419	1.0
97.06571	0.4
97.23759	0.3
99.00916	0.5
99.04514	0.5
101.02435	7.4
107.01398	1.8
109.02972	0.5
113.02454	5.0
119.03506	4.0
125.02455	0.6
131.03503	0.6
133.02948	7.4
139.07692	0.3
141.37741	0.4
143.03528	1.1
149.02432	1.7
149.04472	0.4
151.00349	4.9
159.02974	1.0
161.04533	6.3
175.04022	2.1
179.05586	2.4
198.03207	0.5
199.03987	1.7
201.01883	1.0
207.13873	0.8
211.03975	0.8
211.13394	1.1
213.05444	0.7
217.05029	1.2
225.14935	2.8
227.03467	0.6
241.04970	0.9
243.02995	1.2
255.02948	0.5
256.03726	2.1
257.04556	0.6
267.02942	0.4
271.02557	1.0
283.02188	0.5
284.00034	0.4
284.03244	16.9
285.04016	100.0
286.04388	5.7
299.01874	0.9
300.02646	0.5
314.04272	0.8
324.02655	0.5
327.68762	0.4
387.20197	12.2
388.20538	1.4
417.79471	0.4
447.09198	36.6
447.21951	1.0
448.09518	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	447.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06018	0.6
52.74490	0.7
57.03462	0.9
58.31730	0.6
59.01378	35.7
60.10746	0.6
61.98824	3.0
62.13422	0.6
65.00331	0.7
65.03958	5.6
67.01888	2.3
69.68396	3.5
71.01378	5.4
73.02946	2.0
74.00673	1.0
74.97125	0.6
83.01389	1.2
85.02946	2.0
87.00886	1.3
89.02437	2.4
98.19994	1.3
101.02421	4.0
107.01402	1.2
108.02179	1.2
109.02948	100.0
110.03302	2.7
113.02440	2.1
119.03445	0.9
121.02917	0.6
125.02450	1.0
126.08903	0.6
133.02940	1.0
134.03760	0.8
135.00890	1.2
136.00740	0.8
149.02411	0.8
149.06087	1.5
151.00336	1.6
161.04558	1.7
161.92751	0.6
171.01987	0.6
175.04007	1.3
179.05592	0.9
183.14072	1.2
199.13361	3.3
211.13359	14.3
225.05556	3.2
227.03554	0.9
239.43857	0.8
246.35745	0.6
253.09372	1.7
255.02937	0.8
256.03888	1.0
267.06720	0.9
271.02383	0.8
284.03275	10.3
285.04056	25.4
285.07672	37.1
286.04535	1.1
286.08029	2.2
335.12317	0.7
343.17450	3.3
349.54141	0.7
361.18680	9.6
387.20294	1.6
403.19653	16.4
404.20078	0.9
447.08600	7.4
447.12988	15.7
448.13620	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.3
59.01376	100.0
61.98830	6.2
69.03468	0.6
69.76016	2.7
71.01379	9.2
72.99313	0.8
73.02940	7.9
83.01373	4.1
84.14758	0.6
85.02950	2.7
87.00895	0.7
88.98807	0.6
89.02439	8.6
89.02943	0.7
91.07151	0.5
95.01408	1.1
95.05016	0.8
96.96026	0.9
97.47353	0.4
99.00906	0.9
101.02434	9.0
113.02453	7.6
119.03496	3.7
119.05045	0.7
121.06600	0.7
125.02443	0.8
143.03439	0.9
147.08168	0.8
149.04576	0.9
151.00337	0.5
151.05133	0.4
153.01993	0.6
161.04570	2.6
161.09801	0.5
165.09195	1.9
179.05611	2.3
183.06581	0.7
225.11308	29.2
226.11777	0.9
249.11353	5.0
267.12405	1.9
279.12518	0.8
284.03369	1.5
285.03955	2.8
328.22073	0.6
387.20242	2.2
405.21252	1.1
428.98645	0.5
447.09457	1.9
447.22546	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	30.8
61.98821	2.3
65.03967	4.3
66.77738	0.6
67.01880	2.1
71.01385	4.8
71.54043	1.0
73.02959	1.4
75.00860	0.8
81.56959	0.6
83.01375	0.7
85.02946	1.8
87.00887	1.1
88.28001	0.5
89.02453	2.2
90.97606	0.5
91.01887	0.9
93.71896	0.6
95.01398	0.7
101.02456	3.4
106.90073	0.5
109.02950	100.0
110.03290	1.7
113.02438	1.1
116.57784	0.6
119.03488	0.9
134.03706	1.0
135.00862	1.2
149.06047	1.4
161.02463	0.7
161.04561	1.1
193.98064	0.5
199.13435	3.4
211.13385	10.3
225.05502	2.8
225.15018	0.9
226.05429	0.7
227.03516	0.6
244.23633	0.6
252.04265	0.8
253.09145	0.8
255.03030	0.7
267.06720	1.7
284.03299	5.8
285.04099	14.6
285.07712	36.7
286.04880	0.7
286.07919	2.6
343.17636	3.3
361.18686	9.7
387.20294	1.3
403.19720	15.7
404.20074	1.0
416.29239	0.6
427.97781	0.6
447.08350	4.2
447.13953	15.9
448.13391	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39701	0.2
57.27648	0.2
59.01365	0.4
61.98846	0.4
62.96413	1.2
68.52370	0.2
78.95902	35.7
86.47468	0.2
96.96962	2.4
120.81100	0.2
149.00092	16.1
150.00403	0.3
152.99582	0.2
158.92523	1.5
179.01138	2.3
205.15971	1.4
211.13486	0.3
232.46126	0.2
240.96677	0.3
267.11542	0.5
284.03366	0.7
285.04059	1.5
347.08224	0.5
396.34827	0.2
417.12338	0.8
431.10226	2.5
432.10651	0.3
447.13403	100.0
448.13794	8.2
448.18677	0.2
464.09830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.3
57.03442	1.0
59.01378	100.0
60.01708	1.0
61.98830	11.4
67.86305	0.4
69.82322	1.5
71.01380	7.0
71.01767	0.4
72.99300	0.6
73.02941	3.1
75.00903	0.3
83.01392	0.8
85.02956	2.1
87.00906	0.4
88.43011	0.3
88.98808	0.6
89.02444	5.9
92.87456	0.3
95.01389	0.8
98.19930	0.4
99.00906	0.4
99.04520	0.5
101.02441	4.5
113.02446	4.1
119.03494	2.1
121.02921	0.3
125.02480	0.6
133.02977	0.6
139.07706	0.4
143.03549	0.6
149.04562	0.5
152.07271	0.4
153.01933	6.8
161.04515	1.7
163.11153	0.4
168.04277	7.9
179.05646	1.2
183.06612	8.0
183.08101	0.6
183.10284	0.9
207.10208	0.4
211.13432	0.9
223.13419	0.6
225.07672	0.4
227.03513	0.4
243.16113	1.1
267.12320	2.8
284.03256	1.8
285.03958	2.4
285.07086	0.4
327.05161	1.3
357.06332	1.0
387.20135	4.2
405.21277	1.5
447.09103	2.7
447.17862	2.6
447.23560	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77209	1.4
55.01854	1.3
59.01374	56.5
61.98827	26.7
69.03454	44.3
71.01380	9.2
71.54257	1.3
72.29498	1.3
73.02941	2.2
75.00871	1.4
79.01884	22.1
79.95723	2.4
81.03461	2.8
83.01384	1.5
85.02938	4.5
87.00874	1.7
89.02435	4.8
95.01385	9.2
96.96014	6.6
97.02944	25.7
101.02426	7.5
107.01382	51.5
108.01598	1.5
108.02184	21.4
108.12756	1.1
109.02933	3.2
113.01723	1.2
113.02445	4.6
121.02910	2.9
123.00885	13.6
125.02441	46.9
131.03471	1.5
133.02951	4.6
135.00873	50.2
136.01639	1.8
137.02486	2.9
149.02385	2.4
151.00357	52.9
152.01137	54.4
153.01807	2.6
161.04611	6.3
161.05690	1.5
163.03981	3.8
165.10609	1.4
175.03955	2.6
177.01913	5.6
183.13753	1.2
197.06070	2.1
199.03963	1.4
211.13373	4.9
227.03471	2.4
242.05826	62.0
243.06573	70.5
244.06926	3.2
255.03064	1.9
256.03720	3.4
284.03244	56.3
285.04025	100.0
286.04321	4.6
339.07278	3.4
387.10571	1.7
387.19919	1.7
411.15536	1.4
446.62027	1.7
447.08420	67.5
447.13828	10.0
447.21957	2.4
448.09058	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	447.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12246	0.3
57.03419	0.7
57.06994	0.4
59.01378	17.7
61.98802	1.4
65.03962	5.4
67.01869	1.1
71.01373	3.2
71.54123	0.6
73.02930	1.3
75.00877	0.6
83.01365	0.9
85.02922	1.1
87.00874	0.8
89.02423	1.4
91.01878	0.7
91.16138	0.3
99.00877	0.4
101.02448	2.0
107.01395	0.4
108.02203	0.5
109.02949	100.0
110.03291	1.4
113.02456	1.2
113.06064	0.5
121.02960	0.8
122.06129	0.5
123.04556	0.5
133.02968	0.7
134.03758	1.1
135.00916	1.2
144.23048	0.3
149.02483	0.6
149.06131	0.8
151.00417	0.6
161.04567	0.7
179.44609	0.3
181.12387	0.4
183.14012	0.5
199.13405	2.1
211.13380	7.1
227.03629	0.5
252.04431	0.6
253.09482	1.1
256.03748	0.5
267.06805	1.7
269.04791	0.6
284.03256	4.5
285.01135	0.8
285.04306	12.2
285.07907	34.9
286.04572	1.2
286.08273	1.9
335.12524	0.4
336.52386	0.4
343.17902	1.6
361.18634	6.4
362.19534	0.9
364.38025	0.4
387.20627	0.9
403.19717	10.2
404.20477	1.0
447.13541	18.8
448.13895	1.8
461.16388	0.4
466.54202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28754	0.7
52.09303	0.7
55.01867	2.9
57.03447	34.5
59.01377	15.3
61.98825	3.8
67.01898	1.7
68.99802	1.6
69.03442	1.0
70.99401	1.6
71.01381	10.5
73.02921	1.4
74.35721	0.5
75.00868	1.0
81.03440	0.7
82.43800	0.7
83.01396	5.2
85.02944	7.1
85.58419	0.7
87.00871	1.6
88.98829	0.6
89.02432	4.1
89.91024	0.7
91.06988	0.7
95.01388	9.1
96.96001	6.4
97.02958	0.6
99.00906	0.9
99.04514	17.6
101.02431	11.2
104.44246	0.6
108.02157	1.0
109.02953	1.0
110.02424	0.7
111.00877	38.0
112.04068	5.5
112.69785	0.8
113.02429	7.9
119.03442	0.9
120.94317	0.6
122.06082	0.9
123.00872	2.3
123.04540	1.5
124.04037	5.8
125.02438	11.0
136.07674	0.7
137.02448	2.6
139.00349	1.6
140.07138	2.1
141.01933	100.0
142.02254	3.3
143.03470	1.2
149.04517	0.8
151.03995	1.2
152.01147	2.2
153.01891	1.1
153.05557	0.7
161.04523	10.5
165.01949	1.6
165.42836	0.7
166.05078	7.8
167.03481	0.8
177.01892	0.8
179.03496	2.8
179.05644	2.7
180.04276	1.6
184.06139	11.5
194.05812	0.8
195.06648	4.9
221.06624	1.0
225.07635	1.1
233.06554	0.9
249.05997	1.6
263.07693	9.2
281.08749	5.1
303.07199	2.7
323.09787	2.5
447.10693	5.5
448.14606	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	447.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58814	0.4
56.13316	0.4
57.03445	0.8
59.01379	22.2
61.98830	4.6
67.01899	0.5
69.03455	26.9
70.03773	0.5
71.01374	6.4
71.53984	0.7
72.25282	0.4
72.99313	0.9
73.02939	1.9
75.00872	1.6
79.01890	13.2
81.03468	2.2
83.01393	1.3
83.16038	0.4
85.02951	3.6
87.00851	1.3
87.44138	0.4
89.02435	2.6
93.03463	0.9
95.01375	6.0
97.02947	18.5
97.03582	1.0
99.00925	0.6
101.02444	4.2
107.01384	30.1
108.01598	0.6
108.02196	6.7
109.02946	4.7
113.02442	3.7
119.03523	1.1
119.05013	0.6
121.02950	4.8
123.00876	9.0
123.04517	0.8
125.02441	33.6
126.02769	0.6
133.02966	2.6
134.03734	0.8
134.95029	0.5
135.00891	2.1
135.04530	1.0
136.01691	2.4
137.02452	3.9
143.03432	0.7
145.02950	0.5
145.71021	0.4
147.04480	0.8
148.36755	0.4
149.02438	2.1
150.03233	0.5
150.05754	0.5
151.00363	43.4
152.01186	2.0
153.01929	9.6
161.02463	0.7
161.04512	2.2
163.04010	3.8
167.10658	0.6
167.14328	0.7
175.03932	1.0
177.01924	6.0
179.03439	0.5
179.05611	0.8
181.05075	1.0
183.13895	5.8
185.06168	0.5
189.01913	0.7
191.03500	0.7
193.12285	1.8
197.06082	5.2
198.06688	0.6
199.03845	0.5
202.13228	0.5
203.03540	0.5
211.13377	100.0
212.13731	4.5
213.05525	0.9
217.13423	1.7
219.02942	0.5
227.03491	0.6
235.08334	0.6
242.05826	52.4
243.06564	34.8
244.06990	1.7
253.09254	12.1
254.09521	0.5
255.02859	1.0
256.03857	0.5
259.91129	0.5
271.02625	1.1
279.05081	4.1
284.00916	0.3
284.03253	12.1
285.04041	25.3
285.07593	2.9
286.04312	0.7
297.06015	6.0
300.02570	0.6
301.03571	0.6
339.07153	8.2
348.47327	0.5
371.11710	0.5
387.10712	0.8
387.20224	1.5
403.19672	0.7
429.08279	0.6
432.06985	0.5
447.08249	13.2
447.13809	3.3
447.21671	3.3
448.09265	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38303	0.5
52.24093	0.5
59.01376	12.7
61.98817	2.2
63.02384	0.8
64.46844	0.6
65.00312	1.0
67.58743	0.5
69.25816	2.7
69.26243	1.9
73.02953	1.3
82.50716	0.5
83.01361	1.0
85.02931	1.1
85.62685	0.5
89.02423	1.6
93.67010	0.5
99.00867	0.7
101.02435	1.7
107.01360	2.4
108.08178	2.7
109.02921	1.1
109.08495	1.5
113.02481	1.2
121.02957	1.0
125.02413	0.7
133.02921	1.6
135.00842	1.7
147.52682	0.7
148.01640	0.9
151.00378	5.8
152.07204	2.5
153.07478	1.7
161.04538	0.7
163.00360	0.9
170.43042	0.5
175.03937	0.7
178.99867	3.0
180.66307	0.5
183.04411	1.1
185.05934	0.8
196.06116	0.8
197.06297	0.7
199.03940	0.7
200.04617	0.6
209.11876	0.8
211.03900	1.4
211.13361	0.8
213.05528	0.8
221.11342	0.5
227.03476	33.0
228.03851	1.8
229.05013	1.4
239.03592	0.6
241.04668	0.6
243.02937	3.0
243.06525	1.5
245.04424	0.8
254.02049	0.6
255.02959	45.7
256.03632	7.2
257.04489	0.8
271.02466	12.2
272.03024	1.1
273.03955	0.6
284.03238	51.1
285.04004	46.1
285.07474	2.2
286.04303	2.4
300.02725	23.1
301.03470	21.3
302.03723	1.4
324.02759	0.5
327.05157	1.2
366.40643	0.7
387.20013	1.0
403.14316	1.2
411.10889	0.8
425.10593	0.6
447.09149	100.0
447.62280	0.8
448.09525	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	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42454	0.5
57.03463	1.0
59.01377	85.7
60.01715	0.7
61.98826	1.6
63.02387	0.6
65.00348	0.5
71.01381	6.7
71.29925	1.1
73.02978	0.8
75.00862	0.7
83.01373	0.8
85.02956	2.3
87.00840	0.6
87.48830	0.5
89.02451	11.0
101.02439	3.5
107.01411	1.7
113.02464	3.7
117.57713	0.5
118.23486	0.6
119.03510	4.6
125.02439	1.9
130.86131	0.6
131.03526	0.8
133.02971	1.5
134.03801	0.7
139.66153	0.5
143.03506	0.8
144.84464	0.5
149.02460	0.9
151.00372	2.7
151.18536	0.5
155.69591	0.5
161.04605	1.7
163.00407	0.5
171.04578	0.9
175.03969	0.6
179.05623	5.5
199.04039	0.9
209.81734	0.5
211.03972	1.9
217.04868	0.5
227.03479	33.5
228.03851	2.9
229.05037	1.2
239.03252	0.7
241.05107	1.0
246.22258	0.5
255.02977	44.2
256.03616	7.9
257.04462	0.9
283.02548	0.8
284.03253	70.9
285.04004	64.4
285.06723	1.0
286.04388	3.3
327.05154	1.1
387.20047	2.3
438.11261	1.0
447.09274	100.0
447.22305	2.0
448.09625	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64868	0.2
55.31446	0.3
57.67813	0.2
59.01112	0.3
59.01377	3.8
63.02383	1.1
65.00334	0.7
69.24431	0.2
69.31556	1.1
69.31979	0.7
76.63663	0.2
83.01360	0.8
86.35516	0.2
89.02452	0.4
94.47022	0.2
105.03458	0.4
107.00826	0.2
107.01389	2.4
109.02944	0.5
121.02902	0.5
132.02148	0.4
133.02948	3.7
134.03690	1.0
148.01619	0.4
149.02429	1.3
151.00356	4.4
171.04559	0.3
175.03961	1.6
177.01802	0.4
178.84312	0.2
181.18141	0.2
183.04530	0.4
188.04779	0.4
197.06033	0.2
199.03941	2.1
200.04747	0.4
201.01938	0.5
211.03987	1.3
212.04657	0.4
213.05548	0.3
217.04985	0.9
221.47531	0.3
223.03879	0.4
227.03519	1.6
228.04179	0.3
231.09113	0.2
239.03362	0.4
241.05054	0.6
243.03111	0.4
255.02956	0.9
256.03766	3.6
257.04367	0.3
267.02945	0.4
269.04599	0.4
283.02368	0.8
284.03235	57.8
285.03998	100.0
286.04391	5.3
297.04016	0.5
327.05051	1.0
346.96411	0.3
369.87991	0.3
387.20386	0.7
447.09271	72.9
448.09604	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	446.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84805	0.6
59.01378	2.7
61.98830	100.0
70.48017	1.4
70.48358	0.7
73.05854	0.5
107.56745	0.7
127.21938	0.5
129.33096	0.5
211.13489	2.6
284.03357	1.9
285.04126	4.4
400.26703	0.6
446.21249	0.8
447.08810	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	447.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.1
61.98824	0.9
65.00294	0.4
70.63905	0.5
71.01373	0.5
77.87355	0.2
83.01402	0.5
85.45880	0.2
89.02441	0.4
90.52406	0.2
90.87390	0.2
102.30294	0.2
107.01379	1.9
133.02939	7.3
133.03903	0.4
144.45683	0.2
149.02394	1.9
151.00375	5.1
166.02773	0.4
168.03180	0.3
171.04446	0.3
175.03990	2.6
181.05069	1.3
182.05392	0.8
183.05621	0.4
197.06021	0.4
198.03232	0.3
199.03987	2.2
201.01913	0.9
211.13315	1.2
213.05466	0.6
215.03438	0.4
217.04999	1.6
227.03477	0.3
241.05013	1.0
242.02119	0.3
243.02995	2.1
253.09222	0.3
256.03760	2.1
257.04361	0.6
267.02878	0.4
271.02444	1.5
284.03235	5.4
285.04022	100.0
286.04367	5.8
299.01843	0.5
300.02661	0.4
314.04160	1.4
387.20065	0.8
395.13083	0.2
438.96725	0.2
447.09274	29.3
448.09555	2.2
460.57959	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44112	0.3
56.55901	0.3
59.01361	1.0
60.64371	0.3
61.98827	100.0
69.32712	2.8
82.52975	0.4
83.10439	0.4
98.20671	0.7
133.02960	0.5
135.04527	0.8
140.79146	0.3
145.03026	0.4
161.02422	2.9
180.79918	0.3
233.33467	0.4
260.75323	0.4
260.78238	0.4
284.03336	1.2
285.04080	0.9
370.12308	0.4
447.09439	1.2
447.23883	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	446.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08837	0.3
59.01378	3.6
61.01797	0.4
61.98829	100.0
69.52765	2.2
79.23738	0.4
89.02300	0.3
103.78161	0.3
111.25788	0.4
114.69887	0.4
135.46735	0.4
152.99628	0.8
190.78697	0.3
211.13394	1.0
284.03339	1.1
285.03989	3.2
359.47757	0.4
447.09247	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	446.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.4
59.20962	0.4
61.98830	100.0
71.01519	0.9
72.22379	0.4
78.95909	0.8
87.90028	0.5
103.85991	0.4
115.61868	0.4
208.19083	0.5
218.36728	0.5
269.54044	0.5
284.03378	0.7
285.04114	1.4
447.09045	1.2
447.14243	0.9
474.28461	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01718	0.3
61.98825	4.0
66.84785	0.3
70.53901	0.5
70.54290	0.7
78.95884	0.3
85.04098	0.3
89.02467	0.4
91.04001	3.0
91.56832	0.3
99.08248	0.3
113.09736	0.4
127.02568	0.3
129.09261	0.4
181.12476	0.4
194.90585	0.3
196.65706	0.3
197.11909	1.0
199.13493	0.5
211.13342	2.0
293.21158	1.5
311.22256	13.0
312.22925	0.9
385.26190	0.4
434.19165	0.3
463.00568	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26791	0.3
58.14761	0.4
59.01377	100.0
60.01713	0.9
60.53178	0.4
60.61640	0.4
61.98837	0.7
70.53416	1.1
71.01400	0.4
75.26006	0.5
78.95895	0.5
89.02438	0.8
89.56421	0.3
91.04005	3.6
129.09248	0.7
129.52774	0.4
168.06226	0.3
195.74474	0.3
197.11850	0.7
211.13504	1.4
293.21381	1.4
311.22253	16.4
312.22830	1.3
463.73334	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07324	0.5
57.03451	1.5
59.01378	100.0
61.98822	2.0
66.13519	0.5
68.99586	0.5
69.68617	2.3
91.04037	2.7
92.98540	0.7
113.09747	5.1
139.11314	0.8
153.09245	0.6
179.10854	1.0
188.29880	0.7
195.13950	1.0
195.96321	0.8
238.28870	0.6
249.22246	1.7
262.58838	0.5
275.20255	0.6
293.21207	57.2
294.21472	4.5
379.45261	0.6
433.36957	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.7
61.98827	100.0
62.62199	0.5
74.40665	0.5
90.80177	0.5
162.78503	0.5
182.36499	0.5
263.87897	0.5
284.03326	0.7
285.03979	0.8
308.16693	0.5
356.30960	0.5
393.33475	0.5
425.02145	0.5
447.09131	1.0
466.59494	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	1.3
60.02677	0.5
68.78380	0.5
71.52594	0.7
78.95904	18.4
94.99037	0.6
110.98528	12.2
122.20819	0.5
131.18622	0.5
166.99722	0.8
167.01144	15.5
185.02179	4.9
231.44897	0.5
259.20584	0.7
277.21716	100.0
278.22058	7.5
403.80719	0.5
445.23584	27.0
446.24045	2.5
467.39285	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.2
70.38327	0.9
77.16824	0.5
78.95895	6.1
87.19926	0.4
93.18087	0.4
110.97983	0.4
110.98542	4.5
145.07817	0.4
167.01137	2.7
185.02179	4.0
196.12891	0.4
207.95609	0.4
214.92383	0.4
233.22762	0.6
259.20621	0.5
277.21695	100.0
278.22058	6.7
333.08603	0.4
445.23566	9.3
446.24026	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59711	1.0
57.03448	1.5
58.19084	0.9
59.01377	100.0
61.98810	0.9
69.14110	5.6
69.14541	4.3
91.03989	2.6
101.31419	0.8
113.09696	6.5
149.09711	1.0
167.10741	1.1
185.95995	0.9
195.13774	1.4
236.90958	0.9
293.21222	54.4
294.21552	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	445.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24152	0.6
55.01867	1.8
57.03440	1.9
59.01378	72.8
60.99318	1.0
61.98817	1.0
70.16829	2.3
71.01378	32.3
73.02944	10.4
75.00890	0.5
83.01376	2.9
85.02950	12.5
86.45446	0.6
88.98811	4.5
89.02431	3.5
95.01379	2.4
97.02943	1.2
99.00863	3.8
101.01804	1.0
101.02446	17.6
106.61134	0.6
113.02445	15.0
123.08146	2.6
126.42458	0.7
135.08208	0.7
143.03505	3.3
144.47304	0.8
153.09222	7.5
159.02986	4.8
161.04546	44.3
162.04993	1.2
165.09212	1.8
175.11330	1.0
177.12816	6.6
178.67609	0.6
179.05640	0.7
187.11255	1.5
188.08412	1.5
189.09171	2.5
203.10764	5.3
205.12315	100.0
206.12654	5.4
223.13406	1.7
283.06119	0.7
338.44235	0.6
445.11298	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81001	0.4
57.03443	0.9
58.00599	0.6
59.01378	100.0
60.01727	0.9
60.80573	0.5
70.82586	0.9
70.82915	0.5
71.01378	14.4
72.99318	1.0
79.70879	0.5
83.05006	2.8
85.02960	2.2
87.00868	1.1
89.02441	28.1
95.01398	0.9
101.02443	7.7
113.02441	6.6
115.49619	0.4
117.51266	0.4
119.03493	10.8
131.03511	1.2
143.03461	3.5
149.04559	1.3
160.82144	0.5
161.04530	3.3
164.04857	0.5
179.05609	21.3
180.06023	0.7
205.12314	0.6
246.79013	0.5
259.20041	0.6
445.21225	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.9
58.00584	1.2
59.01374	100.0
60.01719	0.7
61.98832	2.3
62.09276	0.5
66.76979	0.4
70.83025	1.0
71.01374	18.0
72.99313	0.9
75.58627	0.5
83.05017	2.5
83.96222	0.5
85.02943	2.8
87.00885	1.4
88.98849	0.7
89.02438	29.2
90.63451	0.4
95.01398	1.1
99.04520	0.7
101.02438	8.9
102.10751	0.5
113.02440	7.8
118.12912	0.5
119.03495	12.7
124.04247	0.4
125.02435	0.6
131.03540	1.7
132.06848	0.5
133.67049	0.5
134.03694	0.6
143.03516	2.2
149.04564	1.2
161.04536	3.5
163.11264	0.6
179.05594	18.9
180.05925	0.6
205.12326	2.6
209.11909	2.1
269.07794	1.0
280.20523	0.5
412.75534	0.5
445.12521	0.9
445.21353	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.3
59.01377	6.1
61.98825	1.0
63.02416	0.6
65.00346	0.4
70.74296	0.2
71.01385	1.2
71.08528	0.3
71.08867	0.3
73.02949	0.5
79.96234	0.2
81.92257	0.2
83.01385	0.5
85.02953	0.7
87.00836	0.3
89.02448	0.5
91.01930	0.3
101.02454	0.9
107.01396	0.7
113.02444	0.7
117.03493	0.4
119.03472	0.2
121.02991	0.2
148.01695	0.3
149.99490	0.2
151.00363	1.4
156.05887	0.2
161.04536	0.3
162.69780	0.2
167.05080	0.2
169.01361	0.2
169.06621	0.3
171.04532	0.6
172.05327	0.4
181.06563	1.7
182.06563	0.2
183.04425	0.8
183.13971	0.2
184.05339	0.2
195.04576	0.2
196.05319	0.6
197.06024	1.3
198.06857	1.2
200.04871	0.3
209.06064	0.4
209.11795	0.6
211.03920	0.9
211.13326	0.4
212.04773	0.5
224.04694	0.3
225.05553	40.5
226.06259	7.7
227.06808	0.4
239.03473	1.6
240.04280	2.0
241.08681	100.0
242.08998	5.7
267.02963	1.2
267.06607	0.5
268.03735	75.0
269.04099	4.3
281.04544	1.0
283.06085	93.8
284.06406	5.7
304.76053	0.2
305.08115	0.2
325.07214	0.4
327.21735	1.5
385.12811	0.5
432.70200	0.2
445.16437	0.7
445.24246	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	100.0
59.01378	50.3
60.21606	1.0
61.98829	21.1
66.12324	1.1
69.63879	5.2
71.01367	7.9
72.69752	1.0
73.02940	3.2
75.00856	2.1
81.03455	20.6
85.02947	2.9
87.80855	1.1
88.98803	10.0
89.02448	6.8
91.68426	1.0
93.03464	1.4
99.04515	45.9
101.02438	28.7
109.02958	1.7
113.02453	2.8
116.92867	2.3
119.03468	2.1
124.10906	1.0
125.02440	6.1
136.61203	1.1
137.02451	12.7
139.03999	1.1
143.03519	1.4
150.03221	1.0
151.03975	1.9
152.04784	16.3
153.02019	1.1
161.04539	1.4
167.05672	1.9
167.07121	37.4
173.49799	1.0
179.05597	2.5
194.05765	1.2
209.06529	6.3
209.08267	2.8
209.11795	4.5
212.06885	4.2
221.11783	2.3
227.09236	8.9
260.18060	1.1
323.14893	7.5
325.12747	1.4
327.08823	2.1
445.17239	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	445.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25225	0.1
51.41652	0.1
58.72927	0.1
59.01374	3.2
59.01653	0.2
59.16871	0.1
61.98820	0.9
63.02406	0.6
65.00362	0.5
69.42047	1.0
71.01395	0.6
74.02631	0.1
76.43490	0.2
83.01417	0.5
85.02978	0.3
89.02451	0.4
91.01902	0.2
98.20585	0.3
99.00886	0.2
101.02459	0.3
107.01380	0.7
113.02459	0.3
117.03467	0.3
126.29890	0.1
135.75200	0.2
148.00496	0.2
148.01649	0.4
149.99690	0.3
151.00346	1.4
171.04549	0.4
171.10229	0.2
172.05292	0.4
181.06584	0.8
183.04491	0.6
184.05313	0.1
188.10139	0.2
195.04562	0.2
196.05243	0.5
197.06061	0.8
198.06927	0.7
200.04774	0.2
207.82202	0.1
209.06061	0.3
209.11792	1.0
211.03949	0.7
211.13397	0.4
212.04730	0.4
224.04863	0.4
225.05554	23.2
226.06229	4.0
227.06627	0.2
229.14453	0.2
239.03487	1.8
240.04282	2.3
241.08685	54.0
242.09039	3.7
267.03024	0.9
267.06641	0.4
268.03735	82.4
269.04074	5.0
281.04565	1.3
282.05063	0.3
283.06085	100.0
284.06424	6.4
290.05548	0.2
296.06604	0.2
297.07553	0.2
325.07190	0.4
327.21674	1.3
385.13000	0.4
445.10907	0.2
445.16565	0.2
445.24405	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11382	0.2
54.71942	0.2
57.03424	0.3
59.01382	5.5
61.98808	0.8
62.57864	0.1
63.02394	0.2
65.26945	0.1
71.01371	1.4
71.53265	0.2
73.02910	0.2
82.01677	0.2
83.01386	0.3
85.02925	0.6
87.00835	0.3
88.94357	0.2
89.02436	1.0
97.06568	0.3
99.00865	0.2
99.04514	0.4
101.02482	0.8
101.03005	0.2
113.02429	0.6
119.03477	0.5
121.02951	0.2
121.07715	0.2
151.00334	0.2
156.05855	0.2
161.04510	0.3
169.06425	0.2
171.10240	0.4
181.06580	1.8
183.04492	0.6
183.14006	0.3
184.05292	0.2
188.80927	0.2
196.55431	0.2
197.06068	1.5
198.06894	1.2
199.07376	0.2
204.21638	0.2
209.06104	0.4
209.11818	1.7
211.13354	1.0
221.11945	0.2
224.04773	0.2
225.05560	40.4
226.06244	7.7
227.06683	0.4
229.14432	0.7
239.03461	0.3
239.07159	0.2
240.04301	1.0
241.08698	100.0
242.09042	6.4
265.14581	0.2
265.18027	0.3
267.02921	0.2
268.03745	13.2
269.04169	0.6
282.05130	0.2
283.06107	15.7
284.06393	1.0
289.83310	0.2
325.07327	0.2
327.21750	3.5
328.22147	0.3
385.12900	1.8
403.14032	1.0
436.62036	0.2
445.14966	0.6
445.24432	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	445.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40356	0.8
51.65928	0.8
59.01112	1.3
59.01380	20.8
61.38216	0.7
69.55063	0.8
69.74995	3.8
70.03408	0.8
71.01374	3.3
72.00900	1.9
74.02460	1.3
75.00871	51.5
76.33302	0.8
77.69010	0.8
89.02437	4.6
89.19707	0.8
98.19939	1.0
101.02441	1.7
103.00372	100.0
104.00681	0.9
104.03535	9.7
113.02413	0.9
119.03481	1.7
123.15410	0.9
133.05122	1.0
145.19975	0.9
161.04463	1.1
179.05542	2.3
202.94182	0.9
341.10782	7.8
350.56641	0.9
397.99796	0.8
466.48972	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1349
Annotation	Bungeiside D
Peak:m/z	Relative Intensity
55.01877	1.0
57.03453	4.5
59.01383	12.2
71.01381	26.1
71.51981	1.0
72.99315	4.5
73.02955	4.4
75.00871	25.7
83.01406	3.5
85.02948	30.2
87.00880	7.9
89.02444	3.7
95.01388	3.4
96.95999	0.8
99.00874	9.9
101.02444	6.5
103.00361	1.0
112.01683	1.4
113.02448	27.5
115.00344	3.1
117.01892	0.7
119.51682	0.6
125.02393	0.7
157.01416	1.5
161.04561	2.1
175.02463	3.7
269.10287	2.2
327.06793	0.7
358.32480	0.7
380.45099	0.8
385.11395	0.8
445.13483	100.0
446.13876	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	445.1137
Annotation	Cytisoside
Peak:m/z	Relative Intensity
50.19178	0.7
55.46749	0.7
59.01376	39.2
61.98825	12.7
69.22871	7.4
71.01373	7.2
72.99306	0.8
73.02958	1.5
75.00877	1.6
85.02926	2.2
87.00877	1.4
89.02429	3.1
96.13512	0.9
97.90752	0.7
99.00902	1.3
101.02431	4.5
105.03452	1.8
108.02163	1.2
113.02446	3.3
119.03494	0.9
119.04951	1.3
121.02969	2.3
125.02496	1.0
132.02158	1.3
135.00879	2.6
137.05995	0.9
145.02936	0.9
146.39619	0.8
149.02419	3.1
151.45009	0.7
161.02396	1.2
161.04619	2.2
163.00391	1.3
163.04034	2.1
166.02728	0.9
172.44130	0.7
173.05995	1.0
175.04019	1.1
179.05600	1.7
181.05049	2.1
195.10242	1.2
196.05316	2.3
197.09492	0.9
198.03122	0.9
198.11818	0.8
209.11824	1.8
211.03932	1.4
223.04033	1.4
223.13358	1.5
224.04776	5.4
225.05421	1.1
239.03471	3.5
239.12862	1.3
240.04280	9.8
249.05908	0.9
253.04987	2.0
254.05841	1.4
267.03003	7.5
268.03745	44.3
269.04242	2.7
281.04532	11.8
282.05322	87.1
283.06082	100.0
284.06427	6.3
292.03882	1.2
293.04660	1.9
297.07632	19.2
298.07944	1.4
301.03391	0.8
307.06049	1.0
325.07147	87.0
326.07565	7.2
337.07245	2.0
341.31140	0.8
355.08099	3.1
445.11377	89.9
445.16507	4.2
445.24548	2.3
446.11588	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	445.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35257	0.1
59.01379	3.6
60.64190	0.1
61.98831	1.0
62.50826	0.1
63.02079	0.1
63.02367	0.5
65.00346	0.4
68.99800	0.1
70.48999	0.2
71.01387	0.7
73.02952	0.2
83.01358	0.5
85.02949	0.2
89.02440	0.5
91.01906	0.2
101.02430	0.5
107.01381	0.9
113.02457	0.2
117.03506	0.4
118.78023	0.1
121.02907	0.1
125.02480	0.1
136.68475	0.1
148.01646	0.3
148.08719	0.1
149.99593	0.4
151.00366	1.4
171.04472	0.4
172.05231	0.5
184.05305	0.2
195.04483	0.3
196.05313	0.5
196.89270	0.1
198.03076	0.1
199.03928	0.2
200.04747	0.4
209.11858	0.4
211.03926	0.8
212.02110	0.1
212.04692	0.4
224.04767	0.3
225.05434	0.1
226.06442	0.2
227.03438	0.1
239.03476	1.8
240.04272	2.5
241.04811	0.2
241.08763	0.4
252.04260	0.1
253.05069	0.2
255.02959	0.9
267.02991	1.1
267.06509	0.4
268.03745	80.6
269.04095	4.5
281.04565	1.1
282.05243	0.2
283.06094	100.0
284.06424	5.9
290.05630	0.1
296.06784	0.2
297.07642	0.2
298.04810	0.6
299.05652	0.2
305.08078	0.2
325.07202	0.4
349.07169	0.1
371.17157	0.1
445.11383	1.1
445.24380	0.1
446.11652	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	445.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20562	0.6
59.01373	16.9
59.26730	0.5
61.98825	3.7
68.30114	0.6
69.38323	0.6
69.75512	2.6
69.81002	0.6
71.01373	4.0
73.02940	1.2
75.00882	1.0
75.60680	0.6
79.01913	0.6
83.01344	1.0
85.02935	1.2
89.02401	1.4
91.46581	0.6
98.19913	1.2
98.76195	0.7
101.02415	2.2
108.02161	0.8
113.02434	1.7
117.03475	2.1
119.04993	0.8
121.02858	0.7
124.72242	0.6
125.02436	0.8
130.34479	0.6
141.03409	0.6
161.02449	2.4
163.00357	1.8
165.01877	1.8
165.12848	1.0
186.03256	0.9
188.93390	0.7
197.06023	1.1
201.82510	0.7
209.06146	0.6
209.11775	7.1
210.07024	0.6
213.05692	0.8
225.05591	2.0
226.06256	0.7
237.05611	0.8
238.06372	1.3
239.03479	1.0
241.08713	4.2
253.05009	2.7
253.09178	0.7
254.05809	1.5
255.03056	1.0
258.63782	0.7
268.03708	2.7
269.04559	1.6
280.03616	1.5
281.04535	23.1
282.05301	96.5
283.05771	10.7
284.03177	1.4
292.03601	0.8
293.04498	7.0
294.05078	3.3
295.06134	2.7
296.06595	1.0
297.04535	0.8
297.07635	15.1
298.08005	0.7
299.05612	1.5
307.06033	1.1
308.03271	0.8
309.04147	0.9
309.07678	1.7
314.04318	2.3
321.04056	1.5
322.04657	1.7
325.07138	100.0
326.07483	7.8
337.07220	6.7
338.07990	0.8
355.08212	26.2
356.08481	1.8
367.08221	1.8
385.09024	1.2
397.08679	0.9
427.10187	0.7
445.11349	73.1
446.11667	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	444.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66394	0.4
57.09574	0.4
59.01381	5.9
61.98828	100.0
70.78577	1.1
93.53967	0.5
136.10298	0.5
311.22351	0.8
339.76147	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58367	0.4
54.36940	0.4
54.56238	0.3
59.01375	2.4
61.98827	100.0
69.53509	2.5
76.97250	0.4
92.08202	0.3
120.42625	0.4
126.24726	0.4
168.32060	0.4
278.14999	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	21.5
61.98827	100.0
62.75594	0.9
69.02307	1.0
71.58006	1.0
72.41111	0.9
76.55896	0.9
124.92905	0.8
131.97607	0.9
140.93372	0.9
151.56160	1.0
160.92735	1.0
207.64124	1.0
293.21280	2.3
311.22406	5.5
321.39206	1.1
438.28925	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01722	1.3
61.98817	4.2
65.15535	0.9
66.96835	1.0
69.72038	1.8
69.72429	3.2
85.94449	1.1
86.64794	0.9
97.11111	1.0
131.85411	1.1
182.85622	1.0
204.69373	1.0
209.11798	1.5
355.82739	1.1
411.50601	1.2
457.56680	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01112	0.9
59.01380	12.5
69.03438	1.1
71.01377	7.3
72.99300	2.9
73.02946	1.0
75.00867	6.3
81.17451	0.6
85.02948	7.0
87.00881	2.8
89.02443	1.2
95.01375	1.6
98.19928	1.5
99.00858	4.0
101.02428	1.2
103.00379	1.2
106.06619	100.0
107.06976	2.2
113.02455	8.3
115.00397	0.8
117.01949	1.0
129.01996	0.8
150.05594	61.5
151.05911	1.7
175.02457	0.8
194.04561	25.4
195.04875	1.1
209.11850	0.9
224.09392	0.9
231.05028	1.0
249.06136	16.4
267.07199	5.3
280.77676	0.6
382.11563	1.5
400.12445	27.4
401.12683	1.7
444.11438	60.0
445.11752	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	444.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04690	0.5
59.01376	3.0
61.98828	100.0
71.19452	0.8
71.19801	0.6
125.05621	0.4
170.93513	0.5
407.32959	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01710	1.0
61.98818	0.5
69.19766	3.1
69.20175	0.8
89.02466	0.4
91.04020	1.2
97.26302	0.3
111.08195	0.6
123.14625	0.3
125.39617	0.3
138.97151	0.3
166.47627	0.3
197.11722	1.9
209.11909	0.4
211.13338	0.4
291.19586	3.0
309.20679	7.6
310.20819	0.5
391.98245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01710	1.0
62.45496	0.4
70.09070	1.6
91.04014	3.8
96.70940	0.3
111.08141	1.9
128.81912	0.3
134.12379	0.4
169.12433	0.5
169.78395	0.4
192.26755	0.3
197.11823	6.5
209.96674	0.3
211.13503	1.0
226.85356	0.4
263.20169	0.6
265.62881	0.4
289.38385	0.3
291.19638	5.4
309.20703	12.6
309.24231	0.7
310.21210	1.0
313.73572	0.4
430.92554	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01703	0.6
61.98838	0.9
70.52361	1.9
91.04004	3.8
111.08172	1.4
121.91150	0.6
133.02972	1.0
154.34740	0.6
197.11794	4.7
199.13565	0.7
207.10304	0.9
230.86534	0.6
239.10782	0.9
273.18658	0.7
291.19678	7.0
309.20679	16.5
310.21112	1.0
361.88141	0.6
400.75302	0.6
456.51743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46196	0.6
59.01377	100.0
60.01707	1.0
61.98832	2.8
71.01395	1.3
71.53325	1.1
73.02981	1.0
75.79890	0.8
76.40749	0.7
83.13215	0.8
89.02425	1.0
90.28089	0.8
91.04006	1.8
95.05110	0.6
101.02460	1.1
104.82555	0.7
109.06615	2.2
111.04579	1.8
117.51978	0.7
127.07629	0.8
131.11880	0.7
135.61826	0.7
195.13934	2.6
202.15175	0.7
245.19098	1.9
289.18085	64.2
290.18396	4.4
307.19119	6.0
363.21899	2.1
381.23132	1.3
408.01556	0.8
432.20020	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
57.03444	3.9
58.71979	0.6
59.01378	25.0
61.98808	1.0
67.01876	1.3
68.99815	2.1
69.03452	1.2
69.79527	3.9
71.01383	26.1
72.99301	6.9
73.02932	2.7
75.00874	18.5
81.03436	1.1
83.01382	0.8
85.02943	27.5
87.00868	9.5
88.98778	1.2
89.02434	8.5
89.03953	1.5
91.03988	1.5
93.03423	1.3
95.01390	6.0
96.96013	1.0
97.02949	0.9
97.59952	0.7
99.00867	10.5
103.00366	3.0
109.02937	0.8
111.00855	1.9
111.04482	0.8
113.02448	35.5
115.00342	2.6
117.01953	4.0
117.03474	7.2
129.01935	2.0
132.02139	1.4
133.02930	3.1
134.03735	81.5
135.04623	4.2
137.02443	1.2
146.15521	0.8
149.06061	8.4
156.26157	0.7
157.01413	1.8
160.01630	7.2
161.02402	3.4
175.02455	2.3
175.03998	9.9
179.03458	1.9
180.39813	0.7
193.05040	44.5
194.05354	1.3
207.05089	1.4
231.05153	2.0
249.06137	31.8
250.06569	1.0
252.06514	1.9
253.07195	1.1
265.52744	0.8
267.07169	92.7
268.07593	2.8
354.33008	0.8
381.11905	0.9
411.09335	1.3
425.05688	0.8
425.10669	4.4
443.11929	100.0
444.12262	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	441.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01715	0.7
61.98848	0.3
71.08054	0.4
94.99368	0.3
108.67448	0.3
185.11925	0.4
207.10481	0.4
209.11896	0.6
225.11554	0.3
245.18987	0.4
289.18057	2.4
290.18335	0.4
307.19177	3.5
345.68842	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98834	1.5
71.45058	0.9
175.77644	0.5
209.11896	1.2
211.91852	0.6
245.19135	1.0
289.18250	2.5
307.19153	4.2
379.46463	0.6
439.57007	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98827	5.4
62.13098	1.2
69.33817	1.8
69.34220	5.6
71.01373	10.2
71.94132	0.9
73.02939	4.4
80.41931	1.1
83.01388	1.3
85.02942	4.7
89.02432	1.2
89.19057	0.9
96.66923	1.0
99.92597	1.1
101.02438	7.3
108.69033	0.9
113.02431	3.7
119.03442	1.3
126.69159	0.9
132.09442	1.1
141.77544	1.0
161.04543	5.1
237.18549	1.5
289.18091	22.8
290.18317	1.9
307.18954	2.4
311.97992	1.1
349.75323	1.3
399.23782	7.2
441.28976	1.1
453.72189	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93992	0.5
57.60000	0.6
59.01377	100.0
60.01710	1.0
61.98828	1.1
69.69030	1.2
69.69453	2.0
71.01405	0.6
72.00497	0.6
73.02937	1.4
98.19980	0.9
142.28177	0.6
209.11809	0.9
220.24574	0.5
307.19165	2.5
347.14783	0.6
442.25897	4.1
459.70386	0.7
465.43362	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61015	1.0
57.03445	64.7
58.03777	1.2
59.01374	18.3
59.83195	1.0
61.98816	3.3
78.95892	1.5
81.03450	22.4
84.93964	1.0
86.96642	1.2
96.96005	6.0
97.18336	1.1
98.20688	2.1
99.04517	11.4
101.02441	17.0
121.02946	5.1
125.02412	2.7
125.62045	1.2
134.03709	1.6
149.02426	58.6
150.02724	1.4
163.04047	1.4
164.04778	100.0
165.05092	3.1
166.02733	3.1
166.04755	1.1
177.05580	1.4
179.07121	73.6
180.07466	4.5
183.06615	1.3
191.05615	1.3
208.03761	5.4
222.05363	2.5
223.06165	8.1
279.54092	1.2
297.09769	39.2
298.10013	3.2
339.10803	55.3
339.14932	2.6
340.11023	4.7
379.13953	39.2
380.14142	2.6
441.13388	14.7
441.18860	2.7
442.14413	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	441.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38824	0.5
57.03448	1.0
59.01378	100.0
60.01718	1.1
61.98829	3.9
63.02853	0.4
70.68046	0.8
71.01379	2.9
73.02960	1.1
75.00880	0.5
85.02958	0.8
89.02436	0.7
93.03475	0.7
96.95993	0.7
99.04533	0.7
101.02462	1.9
113.02501	1.1
119.03564	0.5
121.02954	45.3
122.03317	1.6
133.06612	0.6
135.08185	1.5
137.02464	0.7
142.62440	0.4
153.01947	0.6
185.60660	0.4
241.08734	2.0
405.21643	1.2
441.21811	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.7
57.03440	5.7
58.00563	0.5
59.01379	16.7
61.25013	0.5
61.98832	5.1
69.96203	1.6
69.96613	1.1
70.00229	0.5
71.01382	20.2
72.10122	0.5
72.99303	4.7
73.02952	4.8
75.00871	25.8
83.01389	4.2
85.02950	32.2
86.00069	0.7
87.00881	7.4
88.43584	0.6
88.98779	0.7
89.02425	3.2
91.05503	0.7
95.01380	2.9
96.96007	2.5
97.02949	0.9
99.00886	8.2
101.02435	8.6
109.02933	0.6
111.00877	1.2
112.01656	0.7
113.02452	27.3
114.02782	0.7
115.00369	2.3
117.01929	1.7
125.02415	0.7
129.01964	1.4
131.03488	0.8
149.02428	1.7
150.03198	2.4
153.01930	1.4
157.01433	0.9
161.04558	2.0
163.04019	1.4
164.04880	0.6
165.05556	3.3
168.04222	0.7
175.02544	2.6
191.03526	1.6
195.06537	1.7
217.14432	1.5
243.08690	0.6
258.20920	0.5
263.14908	3.0
317.10291	0.8
318.12845	0.6
321.15472	0.6
391.13907	1.0
395.09943	0.6
429.90820	0.5
439.18170	100.0
440.18494	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	439.075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63132	0.2
58.70530	0.2
59.07507	0.3
62.95836	0.3
68.77689	0.3
69.22406	0.3
69.23041	1.9
75.63380	0.2
78.95901	11.6
79.27692	0.3
79.95737	1.9
96.96011	100.0
96.96935	24.9
97.95945	0.4
98.20644	0.7
98.65865	0.3
124.28277	0.2
201.49121	0.2
219.71303	0.3
341.27643	0.3
439.08493	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	5.6
61.98836	0.8
65.09809	0.5
67.89764	0.5
69.93435	0.9
69.93786	2.2
71.01371	1.1
75.00845	0.7
79.95714	0.8
85.02969	0.6
85.06607	0.7
87.00882	0.6
89.02453	1.1
93.03439	2.1
96.96004	37.6
98.97444	0.5
105.03485	0.8
108.02119	0.6
109.88048	0.6
111.94999	0.6
113.02400	0.7
115.03983	0.6
121.02947	2.5
122.03733	8.1
123.04466	0.8
128.80206	0.6
133.02934	0.9
135.04514	0.9
136.01663	1.6
137.02457	3.9
146.01857	0.6
149.02431	20.6
150.03217	51.5
151.03745	2.1
153.05646	0.8
163.04265	0.6
164.04770	6.2
165.01918	24.5
165.05559	55.5
166.02359	0.7
166.05902	1.7
180.04272	24.5
181.04810	1.0
195.06607	100.0
196.06905	4.4
225.07639	0.7
243.08640	3.7
247.64949	0.6
249.06168	1.6
301.07272	3.0
316.09512	2.1
331.11868	7.5
332.12003	0.7
391.13968	17.0
392.14587	0.6
439.16196	5.7
440.18243	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
59.01376	8.4
61.98828	100.0
71.01385	1.4
71.53922	0.4
71.54308	0.3
73.02961	0.4
81.76671	0.2
83.01393	0.3
85.02962	0.3
88.98801	0.2
89.02446	0.8
96.96043	0.3
99.00938	0.3
99.04523	0.5
101.02460	1.2
113.02444	0.7
119.03555	0.4
125.02473	0.4
128.56113	0.3
133.06602	2.4
152.78799	0.2
161.04601	0.4
195.13838	0.5
241.08771	0.3
289.16357	0.3
310.59387	0.2
375.20206	6.3
376.20511	0.5
426.01224	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02323	0.2
57.03451	0.2
59.01378	4.4
61.98827	0.5
71.01385	0.8
72.99311	0.3
79.95741	2.3
85.02952	0.5
87.00847	0.2
88.98773	0.3
89.02439	0.5
96.96007	100.0
97.95908	0.4
98.20646	0.6
101.02449	0.3
113.02466	0.5
113.92601	0.3
122.03798	0.4
137.02405	0.3
140.72942	0.2
149.02419	0.6
150.03252	2.9
158.18080	0.3
163.03993	0.8
165.01923	1.1
165.05557	3.1
177.04070	0.4
180.04301	0.8
195.05017	0.4
195.06606	4.3
341.08734	1.4
379.15875	0.3
439.17587	2.4
439.25281	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47223	0.6
60.09751	0.5
70.72151	1.7
71.01386	0.8
73.84921	0.6
78.95889	0.8
79.95741	1.7
96.96008	100.0
96.97010	2.5
111.88327	0.6
127.93083	0.5
176.11230	0.5
191.05669	0.8
221.93251	0.7
236.64734	0.5
353.62372	0.7
439.08786	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38450	1.0
57.03432	0.9
59.01380	42.9
60.01706	1.4
61.98828	100.0
70.94030	1.6
71.01372	4.9
73.02942	2.8
74.17860	0.9
83.01431	1.5
85.02955	2.2
88.63572	0.8
89.02430	1.7
93.03449	6.1
101.02433	5.3
103.35583	0.9
104.64066	0.9
113.02434	2.1
137.02440	7.4
137.46585	0.8
161.04559	0.9
175.03999	0.9
234.15831	1.9
352.75369	0.9
378.19818	1.0
396.21463	1.2
406.71878	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
84.12973	3.4
98.19876	8.0
113.95329	3.3
128.21091	3.3
177.50621	3.0
212.34114	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	19.1
59.06955	0.2
61.98828	100.0
62.98544	0.3
71.01377	1.6
71.53471	0.4
73.02962	0.3
73.68736	0.2
79.38018	0.3
85.02954	1.1
89.02446	0.4
92.69748	0.3
96.96024	0.5
101.02458	0.7
113.02456	0.9
119.03526	0.2
143.10764	0.6
161.04448	0.6
172.37706	0.3
289.16736	1.3
310.04813	0.3
336.21149	0.4
371.34912	0.3
375.20175	0.4
439.17648	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78408	0.6
53.19244	0.7
59.01372	2.5
61.98813	0.9
66.94843	0.6
70.06815	2.6
71.01378	9.2
71.05016	7.6
72.78107	0.7
88.04037	71.1
96.96008	2.0
99.04501	3.1
116.07108	1.3
116.67606	0.8
146.08228	31.7
147.08597	0.9
151.03976	0.9
218.10316	100.0
219.10698	3.3
257.08209	1.2
338.76242	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31621	0.3
59.01378	0.5
60.16215	0.3
61.98828	100.0
66.05113	0.3
69.87450	1.1
71.01385	0.4
77.82599	0.2
78.95885	0.3
79.12079	0.2
88.03597	0.3
88.04026	1.3
89.04403	0.3
95.23955	0.3
96.96004	7.8
96.96970	0.7
133.05089	0.3
140.63397	0.3
146.08250	0.4
218.10326	0.8
219.10551	1.5
223.25533	0.3
438.15857	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.4
51.65857	0.3
54.22793	0.4
57.03444	0.4
59.01377	28.3
60.01753	0.3
60.82322	0.4
61.98827	100.0
71.01383	2.3
73.02949	0.6
83.01400	0.5
85.02950	1.0
89.02446	0.6
95.01414	0.3
101.02401	1.9
113.02464	1.0
161.04588	0.5
289.16595	2.2
332.49313	0.4
355.30560	0.4
375.27271	0.5
411.48581	0.4
452.59088	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40557	0.6
55.01865	1.7
57.03455	5.0
58.00578	1.0
59.01378	36.1
61.98824	4.3
68.99793	0.7
71.01378	32.1
71.53312	0.6
71.53662	0.6
72.99306	5.8
73.02945	3.0
75.00867	28.7
83.01389	2.7
85.02949	30.2
85.04050	0.9
86.03274	0.9
87.00871	8.7
89.02444	11.3
95.01395	3.7
97.02956	2.0
99.00874	9.8
101.02440	7.6
103.00337	0.7
109.02952	1.2
111.00902	0.7
113.02444	29.5
115.00347	2.2
116.01128	0.6
117.01926	1.7
119.03482	3.4
120.27422	0.6
123.04523	0.8
125.01580	0.8
125.02437	3.8
128.03503	0.9
129.01929	1.6
131.03484	2.4
135.04620	0.7
137.02431	1.0
138.03279	0.7
138.05598	1.2
143.03500	0.7
149.02419	0.6
149.04510	1.3
149.06064	1.2
157.01431	1.0
157.06091	1.2
161.04520	2.0
165.05594	0.9
167.03484	1.2
168.03894	0.6
173.04538	1.8
175.02461	2.5
186.29097	0.7
195.06555	0.6
201.11264	1.8
209.07895	0.6
275.09189	1.3
301.93439	0.6
305.16031	0.7
319.13989	1.0
320.09091	1.2
321.09521	3.2
343.09323	1.0
377.13977	1.1
377.18204	1.3
396.54904	0.7
419.16013	0.9
437.16544	100.0
438.17010	7.8
439.43021	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
59.01375	6.2
60.01709	0.7
61.01796	1.0
61.36625	0.3
61.98827	100.0
62.24099	0.4
69.56375	2.2
71.01389	1.0
80.80685	0.3
81.03473	0.4
99.04525	0.7
101.02419	0.4
114.29919	0.3
125.02425	0.4
167.03572	0.4
168.03683	0.3
195.18408	0.4
238.55833	0.4
243.73346	0.4
316.09164	1.5
346.10379	0.6
436.23248	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38643	1.0
58.43938	1.3
59.01377	100.0
60.01687	1.4
61.98824	10.9
67.87467	1.3
69.67017	7.2
71.01383	13.5
72.80873	1.1
73.02920	5.0
85.02927	5.0
89.02453	1.9
99.00874	2.3
101.02435	6.8
102.10593	1.1
113.02428	5.2
128.03389	1.4
161.04555	4.5
208.29836	1.3
249.57486	1.3
268.93973	1.3
315.18085	6.3
357.18967	2.3
411.45392	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35844	0.2
57.03460	0.5
59.01378	100.0
60.01717	1.3
61.01808	0.4
61.98841	2.0
62.97012	0.2
71.01376	2.4
71.53176	0.4
72.26482	0.3
73.02958	0.7
83.01407	0.5
85.02965	1.1
89.02449	0.6
99.00888	0.5
101.02441	1.5
113.02480	1.1
125.02469	0.4
161.04581	1.4
167.03511	0.3
188.45042	0.3
234.65012	0.3
341.15054	0.4
375.23810	3.0
435.30209	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07931	1.5
59.01106	1.7
59.01379	18.1
61.98821	6.4
62.04193	1.2
71.01423	6.1
82.02963	2.8
83.01396	1.3
85.02940	2.7
85.04072	25.0
85.04581	1.8
87.05602	6.7
88.04032	5.4
89.02464	2.1
95.90224	1.4
101.02441	3.2
101.03112	1.1
102.00179	3.9
108.17994	1.3
113.02437	3.0
113.03544	1.4
119.02813	2.7
125.02525	1.8
127.05138	6.9
128.03537	50.5
129.03906	1.6
129.33092	1.2
132.95822	1.4
135.05621	3.0
145.06149	2.5
148.96613	1.2
152.08263	2.9
153.06691	2.3
157.06172	30.6
159.07732	2.1
166.06210	3.8
174.02275	10.1
178.06206	2.6
179.04581	4.9
184.04861	2.0
184.07211	1.5
191.05032	2.3
196.07265	9.4
197.05675	2.2
201.11270	3.9
214.08299	1.7
253.09386	1.4
268.09326	3.6
286.10541	8.9
302.08060	3.6
320.09171	100.0
321.09497	7.0
383.87708	1.4
418.16458	4.6
436.13403	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	435.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32428	0.3
59.01378	100.0
60.01717	1.8
61.01809	0.8
61.98827	4.7
70.11880	1.7
71.01381	3.2
73.02943	1.6
75.00875	0.4
81.76380	0.3
83.01379	0.5
85.02943	2.1
89.02461	1.0
99.00863	0.8
101.02442	2.2
109.02941	0.6
112.11670	0.4
113.02409	2.0
117.03490	0.6
119.05023	0.7
123.04535	0.9
125.02449	0.7
145.02942	2.2
146.03317	0.9
149.06059	0.6
151.04016	1.2
161.04575	2.1
163.04048	0.6
167.03464	0.7
177.01955	0.9
189.02029	1.0
203.43604	0.4
217.01416	1.1
218.02577	0.4
263.50330	0.4
273.07736	2.0
273.10233	0.5
293.57446	0.4
341.06680	2.7
375.19690	0.7
375.23895	6.0
375.27927	0.5
403.45877	0.4
424.24289	0.4
435.12271	1.8
440.04282	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
59.01376	100.0
59.75341	0.3
60.01714	0.9
61.98820	1.2
63.28845	0.3
65.78073	0.3
71.01379	3.2
71.08141	0.5
72.99302	0.3
73.02945	1.5
78.09999	0.4
83.01383	0.7
85.02961	2.1
89.02447	1.2
96.95991	0.3
99.00893	0.7
101.02427	3.8
109.02985	0.4
113.02460	1.3
117.09254	0.3
137.02478	0.4
142.99928	0.3
159.03047	0.4
161.04509	2.8
165.01941	1.5
179.03510	0.7
180.04315	1.0
195.06596	1.4
206.99532	0.4
225.07811	0.9
375.23813	9.5
375.28442	0.6
376.24240	0.8
383.66956	0.3
387.14514	0.4
390.17865	0.3
419.23166	0.8
435.11600	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63458	0.3
57.03448	8.8
58.20913	0.3
58.41252	0.3
59.01376	15.3
61.98833	3.5
70.71425	0.8
71.01378	3.0
73.02934	1.4
79.85122	0.3
83.01379	0.7
85.02944	2.1
87.00872	0.3
87.04516	3.3
87.66968	0.3
89.02450	0.9
99.00900	0.4
101.02424	2.4
102.83252	0.3
103.04008	100.0
104.04336	1.6
113.02461	1.5
116.66436	0.3
118.76443	0.3
125.02383	0.4
127.66390	0.3
139.45300	0.3
140.55228	0.3
145.12329	0.5
149.02399	0.3
161.04556	1.1
175.41899	0.3
213.14952	5.1
268.61865	0.3
273.07513	0.4
289.16534	1.1
307.17526	1.5
349.18732	0.5
350.56039	0.3
435.13559	0.5
435.21442	0.4
435.26437	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.4
59.01378	100.0
60.01715	1.0
61.01814	0.3
61.98840	1.2
64.40638	0.3
65.03974	0.4
71.01392	1.9
72.99310	0.4
73.02946	0.7
79.95761	0.6
83.99651	0.3
85.02962	1.2
87.00900	0.4
89.02459	0.8
91.47009	0.3
93.03452	1.6
96.08125	0.3
96.96043	0.5
99.00900	0.5
101.02454	1.4
109.02948	3.8
113.02470	1.5
121.02961	0.4
125.02478	0.3
135.00967	0.5
137.02408	1.6
152.03534	1.8
153.01929	7.0
161.04613	0.7
165.01944	0.7
171.10229	0.3
179.03549	0.5
180.04271	0.5
195.06670	0.5
242.50830	0.3
271.06366	0.3
272.06464	0.7
273.06778	0.3
281.06699	2.0
333.19467	0.5
375.20010	0.7
375.24069	1.0
435.09064	1.7
435.21643	1.4
435.29916	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	21.2
61.70139	5.4
61.98837	11.9
62.12769	4.6
68.90788	5.0
71.52426	7.8
71.52872	5.9
74.34904	5.2
80.45327	5.1
97.06591	15.5
100.02297	4.7
111.08167	6.8
119.05023	6.1
145.02849	8.9
165.12846	100.0
185.59738	4.6
197.15437	78.3
199.09709	7.0
209.11790	9.2
221.41574	5.3
241.14406	47.2
326.34497	5.6
435.26498	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	435.223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01720	1.0
61.98830	1.9
65.96630	0.5
69.54118	3.2
71.01390	2.1
73.02972	1.1
76.47655	0.6
85.02968	1.0
88.56303	0.5
89.02449	0.7
93.03471	1.0
98.19930	1.3
101.02453	1.5
109.02959	2.3
113.02477	1.5
119.03525	0.6
119.05097	0.6
119.41013	0.5
131.03485	0.5
137.02475	0.8
151.00301	0.6
152.03526	6.0
153.01897	2.7
252.43979	0.8
271.06250	0.6
272.06348	0.7
273.06747	1.8
375.20132	1.0
435.22665	3.1
435.29764	2.3
455.06174	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59004	1.8
56.09814	1.7
57.03443	3.7
58.02989	2.0
59.01379	79.6
61.98832	4.2
63.17806	1.4
65.03957	3.6
71.01382	18.1
71.52905	2.7
72.99299	3.0
73.02942	14.1
74.02478	4.2
75.00880	4.8
81.03447	4.9
82.02967	2.1
83.01382	3.8
85.02945	6.0
85.04059	8.0
85.49400	1.4
87.00859	2.4
87.05628	2.6
89.02436	6.7
93.03466	3.3
95.01379	2.2
96.95942	2.2
99.04509	3.7
101.02446	15.3
105.01946	6.2
109.02948	20.9
110.48843	1.8
113.02434	10.2
114.50828	1.6
116.12865	1.7
119.03526	3.4
119.04996	1.7
121.02957	16.2
122.03738	3.4
123.04513	26.4
125.02444	4.8
127.05116	3.4
128.03526	18.1
135.04523	2.3
137.02449	10.5
142.06654	1.9
148.01660	30.1
149.02428	47.7
149.04362	2.5
149.74565	1.9
150.02670	2.0
157.06158	10.8
161.04558	6.6
163.03967	6.9
163.05235	1.9
165.01898	13.1
166.02614	3.5
167.03491	84.2
168.03810	3.1
174.02277	5.0
181.05057	5.0
182.06116	3.3
185.11839	2.3
196.07228	2.8
220.32397	1.7
227.07080	11.0
229.06502	1.9
229.08591	9.6
241.09782	2.3
245.09312	4.4
249.06047	3.5
255.04025	3.7
255.06587	41.5
256.07004	1.8
273.07654	100.0
274.07944	5.9
286.10501	3.0
303.09885	3.2
313.43915	2.0
320.09158	31.4
331.08893	1.8
350.64774	2.3
375.20215	3.0
435.13031	23.2
435.17990	5.7
435.23148	2.5
436.13068	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	2.0
59.01368	3.4
61.98828	4.3
64.59786	0.9
67.80492	0.8
68.20547	1.0
70.44848	2.2
70.45214	2.1
71.01378	4.9
71.81311	1.1
72.91809	1.0
85.02948	1.7
87.00881	3.3
89.02397	0.9
94.85279	0.9
101.02434	2.5
113.02431	1.6
121.02922	2.4
145.02916	2.1
146.03714	1.4
149.02425	30.6
150.03217	45.6
151.03482	1.7
158.87402	0.9
161.02414	3.1
161.04532	5.0
162.03188	3.0
163.03960	1.2
164.04782	18.2
165.05559	100.0
166.05980	4.7
177.05533	2.6
180.04216	4.5
195.06609	33.8
196.06975	2.2
327.10822	29.9
328.11148	2.3
351.63422	1.0
357.11859	1.2
387.11948	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	2.9
59.01380	28.5
61.55169	1.4
61.98819	6.6
71.01373	18.2
72.99326	2.7
78.95875	1.5
83.01391	2.2
85.02946	7.8
87.00882	8.6
88.04073	1.6
89.02438	22.4
92.92786	2.2
95.01360	2.0
96.95992	5.8
96.96931	2.3
101.02464	11.9
111.00867	2.2
113.02445	8.7
117.01246	2.4
117.03427	1.8
119.03509	8.7
121.02880	2.0
123.04482	1.7
124.90353	1.6
128.03564	4.3
142.29857	1.5
143.03522	1.8
145.02988	9.3
146.03650	3.6
147.04483	2.0
147.06587	2.9
149.02440	29.6
150.03220	45.0
161.02475	7.9
161.04514	8.9
162.03238	11.4
164.04768	16.1
165.05556	100.0
166.05894	2.9
177.05566	5.8
179.05655	12.8
180.04201	2.9
191.05620	7.5
195.06609	37.1
196.06953	2.3
318.07507	3.8
321.09467	4.9
327.10797	28.0
357.11856	9.0
375.12903	3.7
432.81464	1.6
452.37531	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1294
Annotation	Licoagroside F
Peak:m/z	Relative Intensity
54.47949	0.6
57.03446	0.7
59.01380	7.3
63.12209	0.6
65.03937	2.1
67.01887	1.2
69.74599	3.5
71.01373	1.8
72.99304	0.6
74.39498	0.6
75.00869	2.1
79.05524	1.5
81.03436	2.4
85.02952	1.3
87.00835	0.9
93.03469	3.1
95.05008	0.7
99.00926	0.8
99.04571	0.7
101.02471	0.7
105.03468	0.8
108.02157	1.6
109.02940	21.4
113.02417	2.0
119.04975	1.4
121.02946	12.1
122.03738	4.2
123.00885	1.0
123.04522	14.8
125.02446	0.6
128.03511	0.9
133.02939	2.7
134.03683	1.6
135.00804	0.8
135.04517	2.0
136.01593	1.0
137.02448	10.3
148.01656	27.4
149.02432	45.4
150.02760	1.0
150.90729	0.6
151.76543	0.6
161.02409	1.4
163.03986	5.5
165.01897	8.5
166.02724	4.0
167.03481	75.7
168.03842	2.8
179.03352	1.0
181.05045	2.0
183.08141	0.6
185.05983	0.8
185.11807	9.3
227.07143	12.0
229.08626	1.9
237.05424	0.8
239.89583	0.7
249.06067	1.4
255.06604	31.9
256.06952	2.3
273.07654	100.0
274.07986	7.7
320.09262	1.3
321.70959	0.7
435.12918	17.8
435.18707	9.6
436.13388	2.0
436.18939	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1292
Annotation	Phloridzin
Peak:m/z	Relative Intensity
57.03444	1.4
57.96758	0.2
59.01378	4.0
61.98825	3.2
61.99121	0.2
65.00304	0.9
69.03460	0.2
69.39542	0.8
69.39958	0.5
81.03452	10.0
82.03815	0.3
83.01373	4.2
85.27991	0.2
93.03455	7.6
95.01386	0.4
95.05031	0.3
107.01402	0.9
108.00056	0.2
108.22762	0.2
109.02927	0.3
111.04523	0.2
119.05019	9.1
121.02966	0.2
123.04519	28.6
124.04859	0.6
125.02441	13.9
126.02763	0.3
135.04521	1.5
137.02409	0.2
137.56378	0.2
139.03992	0.3
147.04492	0.3
149.02425	2.0
151.00345	2.9
163.03960	0.2
163.07620	0.2
165.05507	0.3
166.02658	0.4
167.03482	75.7
168.03822	2.4
171.04494	0.4
179.03485	7.7
180.03886	0.3
187.07680	0.4
189.05539	1.6
190.02785	0.3
191.03484	1.0
199.13388	0.4
211.07581	0.6
229.08696	0.7
255.06589	0.8
273.07651	100.0
274.08005	6.6
297.07803	0.4
315.08990	0.4
435.12701	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.9
59.01378	100.0
60.01709	9.0
61.01802	1.4
61.98830	18.7
63.02395	2.2
64.02722	0.7
65.00323	7.5
66.00659	1.2
69.63544	1.4
69.63944	0.7
71.01378	2.9
73.02946	1.2
75.00875	0.7
78.59208	0.4
78.95914	0.6
83.01385	5.9
84.01720	1.5
85.02956	1.1
89.02419	0.8
93.03463	3.2
94.03793	1.4
95.01407	0.7
97.02972	0.4
101.02466	1.8
107.01388	10.2
108.01695	4.3
109.02951	1.2
113.02475	1.0
114.02767	0.4
116.74802	0.4
117.03472	4.2
118.03777	2.1
119.05023	21.4
120.05357	11.6
121.02959	4.5
122.03275	2.3
123.04527	1.2
125.02435	2.5
126.02808	1.2
133.03011	0.4
134.03757	0.6
134.04697	0.7
135.04573	2.9
136.04860	1.4
137.02461	0.7
143.04942	0.7
144.05353	0.7
145.02953	16.1
146.03294	11.5
147.04509	0.8
148.04779	0.6
149.02429	0.7
149.06033	2.5
150.06404	1.3
151.00365	35.5
151.03932	2.7
152.00699	18.1
153.00850	0.6
161.04543	1.2
161.06021	0.7
163.03993	3.0
164.04333	1.9
165.01929	3.1
166.02242	2.3
169.01413	2.0
170.01743	0.9
177.01926	2.8
178.02248	1.9
185.06081	1.2
186.06404	1.4
187.04004	1.6
188.04372	1.4
189.01912	1.1
194.02043	0.4
199.13344	0.5
200.08127	0.5
217.01364	0.8
227.07033	0.8
228.07477	2.0
271.06131	24.5
271.09601	3.1
272.06458	60.1
272.09958	8.6
273.07062	3.5
292.29388	0.4
307.08112	0.7
308.08578	1.7
313.05637	1.3
314.05746	1.8
327.84991	0.4
341.06717	2.7
375.23743	1.3
375.27505	1.3
434.05719	0.8
434.11636	15.5
435.11835	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.3
58.64548	0.2
59.01376	10.0
60.01714	0.7
61.98827	100.0
71.01378	0.6
73.02934	0.4
85.02953	0.3
85.39828	0.2
89.02431	0.4
98.20653	0.8
101.02471	0.4
101.80700	0.2
107.05018	1.6
121.02921	0.6
122.03729	1.1
125.02458	0.4
161.04492	0.3
165.09216	1.2
209.08189	5.1
209.10063	0.4
229.08685	2.1
229.10765	0.3
249.04015	0.2
273.07620	2.3
273.10217	0.3
309.14093	0.2
312.29980	0.3
331.17441	0.3
332.17844	0.3
371.13620	1.0
372.61963	0.3
377.75470	0.2
435.13031	3.5
435.22061	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96095	0.4
57.03423	0.4
58.64403	0.4
59.01378	54.2
60.01714	4.4
61.01789	0.5
61.98829	100.0
69.96863	1.5
71.01384	3.3
71.74024	0.4
73.02947	1.1
77.40865	0.4
83.01372	0.7
85.02940	0.8
87.00883	0.6
89.02442	2.7
98.19954	0.5
101.02433	2.6
107.01371	1.0
113.02429	1.3
119.03465	1.0
119.05000	1.9
120.05338	1.2
121.02922	0.8
143.22839	0.4
151.00336	2.5
152.00636	1.3
159.69598	0.4
161.04507	0.9
179.05586	0.7
190.67232	0.4
225.74614	0.4
255.15955	0.4
271.06070	2.3
271.08713	0.5
272.06155	6.4
272.09750	1.5
273.07019	0.7
336.17819	0.4
374.22125	1.0
434.11847	3.0
435.22424	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	434.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98021	1.5
58.96990	0.8
59.01377	43.5
60.01704	2.0
61.98825	6.6
63.96238	12.5
69.33121	7.4
71.01375	5.3
73.02940	3.0
74.68113	0.9
75.22139	0.8
79.49164	0.8
83.01393	1.0
84.04538	1.0
85.02937	2.0
89.02455	3.0
91.03980	1.2
93.03465	1.7
101.02453	3.3
108.00432	1.7
108.02177	5.0
109.01172	14.9
110.99107	5.9
113.02445	1.9
119.03472	1.5
120.01234	2.5
121.02956	10.5
122.06051	1.0
123.99888	1.1
124.07670	0.9
125.00674	3.9
130.69435	1.0
132.37457	1.1
135.04515	1.1
137.00642	2.7
148.04085	1.3
149.04564	1.2
151.99370	37.4
153.00151	33.5
153.01147	0.6
161.04565	1.0
162.02222	1.8
186.05605	2.5
199.05807	4.2
213.03920	2.0
230.04332	1.0
241.04710	1.3
243.04816	100.0
244.05154	7.4
255.06589	1.9
256.06970	3.3
257.07574	1.4
261.05893	5.9
271.09717	2.3
272.10001	5.6
283.25128	0.9
287.22226	11.0
288.22623	10.4
435.22278	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	433.259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68901	0.2
57.81752	0.2
59.01377	0.7
69.33872	1.4
84.32758	0.2
93.03434	0.2
115.57779	0.2
117.03461	15.8
118.03748	0.2
119.05020	25.6
120.05346	1.1
121.02940	1.6
123.04474	0.3
133.02933	0.4
135.04497	0.3
145.02943	100.0
146.03273	3.4
163.03998	18.2
163.05421	0.3
164.04349	0.7
201.00581	0.2
241.21739	0.2
264.13232	0.2
269.21155	2.0
287.22253	8.8
288.22510	0.5
368.76874	0.2
415.24789	0.6
433.25894	42.8
434.26273	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	433.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01147	1.1
58.00588	2.6
59.01379	41.0
61.98831	4.0
65.14180	1.1
65.35390	1.1
71.01374	7.2
71.20003	1.7
72.99306	2.6
79.57915	1.0
85.18756	1.0
89.02442	26.0
91.04006	99.3
92.04335	1.3
94.56256	1.1
101.02413	1.5
121.02966	7.7
121.12833	1.4
123.75737	1.1
199.10539	1.2
209.68297	1.3
213.49828	1.1
221.19090	1.9
223.20660	100.0
224.20952	4.9
241.21690	1.9
267.19641	88.3
268.19995	5.0
269.04321	1.4
285.20688	73.3
286.20978	4.4
341.23282	27.8
342.23434	1.3
359.24362	65.9
360.24789	5.7
361.11163	1.7
389.10294	2.6
433.09207	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.4
59.01379	100.0
60.01702	0.5
61.98828	4.0
68.78341	0.3
69.23371	3.1
69.57349	0.4
71.01384	5.6
73.02939	2.2
83.01392	1.3
85.02956	2.7
87.00863	0.3
87.04511	0.5
89.02460	1.5
95.01456	0.4
97.06545	0.4
98.19845	0.7
99.00904	1.1
101.02444	4.8
105.15368	0.3
113.02479	2.6
119.03576	0.7
123.45382	0.3
125.02457	1.7
129.01994	0.5
132.48091	0.4
138.09816	0.4
143.03485	0.6
145.02919	0.4
151.00415	0.4
161.04549	3.6
167.03500	0.5
185.37947	0.3
227.12929	0.4
257.03555	0.6
265.11017	0.5
266.44479	0.4
269.13858	0.6
271.06125	0.9
271.14633	0.5
284.02985	0.7
285.03265	0.6
286.03912	1.5
299.05569	0.6
300.05991	0.7
301.06073	1.9
301.10922	0.5
331.17795	0.6
373.17978	0.7
373.22336	8.0
373.26630	0.7
391.23404	0.5
433.24460	1.7
435.27213	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73848	0.2
54.91515	0.2
56.41249	0.2
59.01376	1.9
61.98824	0.5
69.33522	1.2
69.33937	0.7
71.78863	0.2
87.61917	0.2
100.83103	0.2
117.03461	17.0
118.03812	0.6
119.05019	27.3
120.05373	0.6
121.02955	2.0
123.04516	0.3
133.02904	0.3
145.02945	100.0
146.03276	3.7
163.03993	20.2
164.04355	0.7
269.21136	1.8
287.22278	7.9
288.22528	0.5
311.80051	0.3
372.30368	0.3
415.24826	0.7
433.25888	40.6
434.26251	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	433.244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.0
59.01378	100.0
60.01708	1.2
61.98824	5.6
69.63947	0.8
69.64365	2.5
71.01381	9.9
72.99303	0.9
73.02963	1.8
75.00865	0.6
83.01366	0.6
83.02576	0.5
83.56401	0.4
85.02924	2.6
89.02439	8.2
91.03993	1.1
91.05534	0.5
95.01406	0.9
98.04173	0.4
98.16610	0.4
98.20669	0.4
99.00903	0.8
101.02443	7.7
108.02231	1.1
109.02974	5.4
113.02446	3.9
115.04019	0.7
119.03485	3.3
121.02979	1.9
123.04578	0.7
125.02434	1.0
134.03743	0.7
134.77495	0.5
135.04523	8.6
143.03508	1.0
147.04546	1.2
148.22685	0.5
149.04596	0.4
149.06113	1.8
159.03047	0.8
161.04549	8.0
179.05649	0.8
203.10881	0.5
215.35406	0.5
241.05128	0.5
253.08942	0.9
256.07431	1.1
271.06827	0.6
271.09741	18.9
271.12659	0.9
272.10199	0.9
287.22253	9.4
288.22839	0.7
373.22299	28.8
374.22580	2.4
427.38681	0.6
431.17917	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81129	0.2
59.01377	100.0
60.01718	0.8
69.48800	1.6
71.01380	2.1
73.02969	0.4
85.02940	0.3
89.02438	3.7
101.02463	1.1
105.23166	0.3
113.02457	1.2
119.03515	1.4
120.03899	0.2
121.67817	0.2
143.03497	0.3
155.04410	0.3
161.04565	0.6
179.05640	0.8
182.24901	0.3
278.05783	0.3
373.18689	0.3
433.24783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.3
58.00590	0.3
59.01376	100.0
60.01707	1.1
61.01766	0.2
61.98837	2.1
63.02395	0.6
63.85979	0.2
64.54935	0.2
65.00317	0.7
65.36429	0.3
69.53062	1.5
71.01376	5.2
72.99305	0.3
73.02939	0.7
82.95456	0.2
83.01405	1.2
85.02929	1.2
87.00897	0.4
89.02435	5.8
89.02943	0.5
93.03468	1.2
95.01376	0.4
101.02442	2.8
107.01374	1.9
113.02474	1.8
119.03522	2.3
119.05019	4.1
119.05814	0.3
121.02993	0.3
125.02465	0.4
128.44531	0.2
135.04498	0.4
136.01706	0.6
143.03500	0.5
151.00368	8.0
151.01585	0.4
161.04544	1.1
164.01236	0.3
172.97873	0.2
177.01993	1.1
177.91100	0.3
179.05620	2.3
181.18269	0.3
181.66653	0.2
195.14122	0.3
197.11768	0.6
209.11786	0.4
211.04048	0.8
229.28259	0.3
271.06097	15.9
272.06567	1.0
373.18295	0.4
373.22470	0.6
433.11246	4.0
433.20807	1.0
433.25708	1.1
434.11682	0.5
458.62717	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08808	0.4
57.03440	0.9
59.01377	100.0
60.01699	1.0
61.98832	3.4
69.23397	4.0
71.01385	6.7
73.02951	1.2
75.00911	0.6
76.79978	0.4
83.01396	1.5
85.02947	3.0
87.00858	0.6
89.02435	2.4
91.04018	1.7
99.00912	1.1
99.08177	0.6
101.02425	5.0
113.02422	3.1
119.03509	0.9
121.02967	1.3
125.02507	1.5
149.04614	2.1
151.00343	0.5
161.04575	3.2
165.12906	0.6
183.13892	12.6
184.14275	0.5
209.11862	0.6
227.12898	0.5
232.65222	0.5
241.08990	0.5
269.21649	0.5
271.09686	6.2
285.20868	0.7
287.22266	27.0
288.22607	2.2
289.23083	0.7
301.16550	6.2
373.22162	5.0
374.22818	0.7
432.18103	0.6
433.21280	0.9
433.27307	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30204	0.2
56.11594	0.2
59.01377	100.0
60.01710	0.8
66.90480	0.2
68.64991	0.2
69.29884	2.1
71.01378	2.4
85.02943	0.4
89.02443	3.5
91.28438	0.2
101.02439	1.2
113.02480	1.0
119.03510	1.5
125.02589	0.3
125.65133	0.2
143.03485	0.3
155.75177	0.2
161.04578	0.3
179.05661	0.9
202.80191	0.3
373.18839	0.4
433.24570	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00441	0.3
52.44067	0.4
59.01379	100.0
60.01723	0.7
61.34722	0.5
61.98835	5.3
69.50500	2.1
71.01383	3.4
71.68832	0.4
72.36530	0.4
73.02944	1.1
75.00880	0.5
85.02953	0.8
89.02451	2.9
90.88483	0.4
92.85515	0.4
95.01370	0.8
98.19898	0.7
101.02451	2.7
109.02905	0.4
113.02473	1.6
115.91882	0.3
119.03516	1.1
125.02454	2.0
137.02478	0.9
137.56668	0.4
145.03012	0.4
161.04549	1.1
167.03484	1.8
179.05623	1.1
188.52325	0.4
197.11826	0.9
209.11850	0.9
211.07645	0.5
229.04976	0.7
265.10858	1.4
271.09738	0.6
373.22379	0.5
389.18216	0.5
422.99539	0.4
433.15424	0.7
433.20062	0.6
433.24869	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58099	0.2
59.01376	100.0
60.01714	1.1
71.01376	2.3
80.70570	0.2
85.02948	0.5
89.02441	3.7
95.01443	0.3
101.02429	1.2
109.37447	0.2
113.02443	1.2
119.03479	1.3
143.03467	0.3
144.51970	0.2
161.04553	0.5
179.05663	1.0
188.34389	0.2
240.58699	0.2
293.48221	0.2
417.31729	0.2
433.24719	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32253	0.8
50.73446	1.0
56.89409	0.9
59.01380	20.8
60.25098	0.9
61.98835	8.6
67.35867	0.9
69.49572	0.8
71.01383	3.1
71.54259	1.6
73.02958	1.4
80.05064	5.1
83.14057	0.8
85.02927	1.2
89.02459	1.4
92.05026	1.5
93.03458	4.9
94.06628	6.8
95.03780	1.5
95.41781	1.0
96.08203	2.3
97.01678	3.0
101.02413	1.9
102.05682	1.0
104.05045	1.7
106.06600	2.3
108.04575	2.9
109.01720	1.6
109.02927	1.7
109.05329	1.9
110.06113	1.1
113.02386	1.0
119.03510	1.0
120.04559	6.1
121.05330	1.3
122.06119	27.6
123.04523	2.0
123.06901	1.1
124.07677	23.1
124.62251	1.0
135.04532	0.9
136.03999	7.4
138.05641	1.1
140.07198	2.5
145.03085	1.0
148.04044	46.3
149.04515	0.9
150.05594	16.8
152.03606	1.0
154.88441	1.1
166.05098	12.7
168.06638	6.3
194.04585	3.3
210.04042	1.9
211.07642	0.9
213.06696	1.1
215.12006	0.9
228.09113	1.4
231.11366	5.1
243.11331	2.5
245.12903	1.1
255.11356	2.5
259.10849	1.1
271.09763	4.1
273.12402	29.2
274.12714	1.9
275.10370	0.9
291.13495	25.1
292.13885	1.4
317.11383	11.1
334.11661	1.0
335.12451	100.0
336.12839	7.2
389.20764	2.1
433.19601	9.9
433.24655	1.5
434.20020	1.9
451.94006	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39511	0.5
59.01375	8.1
61.98822	3.2
65.92764	0.6
68.76647	0.8
69.52258	4.5
71.01382	1.9
73.44257	0.6
73.46783	0.6
75.40333	0.7
80.05054	4.4
89.02413	0.5
92.05081	1.2
93.03506	0.6
94.06609	8.0
95.03801	1.4
96.08201	2.9
97.01681	3.1
98.02459	0.8
98.06085	0.8
98.19917	1.5
100.04004	0.8
101.02441	1.4
104.05065	2.7
106.02975	1.7
106.06624	3.2
108.04544	2.8
109.01675	1.0
109.02950	1.6
109.05327	2.6
110.06108	1.5
113.02425	1.0
114.41779	0.7
115.67558	0.6
120.04547	7.4
121.05341	2.8
122.06113	29.8
123.03191	0.7
123.04525	0.8
123.06876	0.9
124.07676	36.3
125.02393	0.7
125.08048	0.8
135.04518	0.7
136.04042	10.4
136.07695	1.1
138.05598	2.5
140.07184	3.5
142.39360	0.6
148.04041	61.8
149.04356	3.1
149.08463	0.7
150.05598	25.2
150.06813	1.2
151.05872	0.7
152.03571	1.7
152.07159	1.1
160.07793	0.7
166.05083	16.6
168.06668	6.3
178.12419	1.5
189.62668	0.7
194.04584	2.5
197.06035	0.6
199.12408	0.7
207.20195	0.6
210.04105	3.6
215.08228	1.6
215.11766	1.7
227.08322	0.7
228.09082	0.8
229.13531	1.4
230.10571	1.6
231.11382	6.1
240.04155	1.9
241.09778	2.1
243.11369	4.1
245.13058	1.5
254.06448	0.7
255.06618	3.5
255.11336	3.0
256.06778	0.9
259.10965	0.9
270.08539	0.7
271.09750	12.0
273.12427	34.1
274.12769	2.0
275.10211	1.1
275.76700	0.7
290.12729	1.2
291.13483	36.0
292.13867	2.4
317.11395	11.4
334.11771	3.1
335.12457	100.0
336.12839	7.4
389.20834	7.0
390.21127	1.0
433.14047	1.3
433.19742	21.6
434.20050	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	433.15
Annotation	(3R)-Vestitol 7-O-glucoside
Peak:m/z	Relative Intensity
59.01377	4.0
61.98836	0.3
65.03969	0.6
67.01889	0.3
69.39274	0.3
69.39688	0.8
71.01377	0.9
73.02940	0.2
79.05560	0.2
85.02940	0.3
89.02421	0.2
91.05527	2.1
93.03461	1.0
98.19947	0.3
101.02436	0.3
103.05509	0.2
108.02177	1.5
109.02950	14.5
110.03278	0.2
111.00909	0.3
113.02455	0.3
119.05061	0.2
121.02953	28.2
122.03765	9.6
123.04543	3.6
125.02518	0.2
133.02946	0.5
134.03735	3.7
134.04738	0.2
135.04523	23.1
136.04872	0.7
147.04514	3.9
148.05026	0.3
149.06076	6.6
150.06445	0.2
164.74950	0.2
183.04594	0.2
183.13939	0.2
186.06822	0.5
187.07530	0.2
197.06110	0.7
199.04016	0.2
203.10652	0.2
211.07635	0.3
212.08385	0.6
213.05576	0.2
214.06358	0.9
218.46185	0.1
227.03513	0.3
227.10600	0.2
228.32651	0.2
229.08707	1.4
238.06361	0.7
239.07135	0.2
241.05035	1.6
253.08588	1.1
255.06355	0.4
256.07352	2.3
257.07932	0.2
271.09732	100.0
272.10086	7.0
333.60339	0.2
367.75388	0.2
433.15274	0.9
433.28076	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1136
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
57.03450	0.3
59.01379	19.7
61.98822	0.6
63.02396	3.0
65.00320	10.7
68.15411	0.3
69.35159	0.8
69.35569	1.5
71.01380	0.7
81.03455	0.4
83.01379	7.7
85.02978	0.4
93.03453	5.0
95.01346	0.3
101.02435	0.5
107.01385	18.7
108.02178	0.3
117.03455	3.4
119.05022	39.1
120.05349	1.0
121.02943	2.9
123.04518	0.6
125.02457	3.8
133.02957	0.6
134.03651	0.3
135.04486	1.6
137.02405	0.7
143.05040	1.1
145.02948	13.7
146.03294	0.6
147.04492	0.4
149.02432	0.6
149.06093	1.1
151.00357	66.0
152.00673	2.6
157.06555	0.4
161.04601	0.4
161.06068	0.9
163.04024	1.3
165.01924	6.1
169.01433	2.9
177.01915	5.2
177.03336	0.4
185.06076	2.5
187.03993	2.7
193.01443	0.8
225.05801	0.4
227.07137	3.1
253.05177	0.5
267.06543	0.5
269.04532	0.5
271.06107	100.0
271.09360	4.3
272.06430	6.7
307.08215	1.0
311.71552	0.4
313.05527	4.7
314.05899	0.3
433.11331	14.2
434.11768	1.4
437.19193	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	46.5
60.01693	0.6
61.85033	0.4
61.98825	2.2
63.02391	2.1
65.00323	5.5
68.04816	0.4
71.01386	4.2
71.07977	0.5
73.02949	1.3
77.77273	0.4
79.01872	0.6
83.01376	3.9
85.02950	1.4
87.00861	0.9
89.02441	2.4
93.03456	7.5
95.01398	0.7
97.02962	0.6
99.04562	0.5
101.02447	2.5
107.01389	11.2
108.02207	0.7
111.00860	0.6
113.02450	2.3
119.03545	1.3
119.05020	34.2
120.05347	1.1
121.02913	0.5
125.02420	1.5
131.03439	0.7
135.00853	0.5
135.04518	1.7
136.01656	1.2
137.02431	0.8
145.03003	0.6
151.00359	42.2
152.00851	1.3
155.95963	0.4
161.02405	0.7
161.04506	1.0
164.01164	0.9
165.01941	2.2
165.03133	0.4
165.05515	2.5
166.27022	0.4
169.01372	0.7
175.00319	1.3
177.01930	5.9
185.06058	0.5
190.16382	0.5
193.01443	1.0
197.11771	3.0
205.01370	0.4
209.11771	1.1
211.03999	2.4
227.07166	0.7
269.04108	0.6
270.04559	0.8
271.06100	100.0
272.06448	7.3
295.06146	0.8
313.07202	1.8
373.22253	0.7
433.11298	5.0
433.20239	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	433.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77698	0.4
55.54082	0.4
56.85101	0.3
57.03439	0.6
59.01377	60.8
60.01707	0.6
61.01818	0.4
61.40217	0.3
61.98841	0.7
63.02401	2.4
65.00318	8.6
69.25224	1.4
69.25649	1.9
71.01377	3.9
72.99297	0.6
73.02945	0.9
75.00875	0.9
79.95743	0.4
81.03464	0.7
83.01384	8.3
85.02942	1.9
89.02447	4.0
93.03446	6.1
95.01368	0.6
96.96008	8.6
96.96954	0.5
97.02903	0.5
99.00871	0.6
101.02440	2.8
107.01386	16.6
113.02443	3.3
114.93362	0.4
117.03464	0.8
119.03552	1.4
119.05021	36.5
120.05367	1.5
121.02940	1.0
123.04552	0.7
125.02451	4.4
133.02974	0.6
135.04489	0.5
137.02469	1.1
143.05019	1.2
145.02948	4.5
149.02467	0.8
151.00360	65.3
152.00659	2.2
153.01971	0.4
157.06577	0.4
161.04610	1.0
161.06049	1.0
165.01918	5.1
166.05049	0.7
167.03542	0.4
169.01454	2.5
177.01903	5.3
183.10370	0.4
185.06061	2.9
187.03983	3.6
189.69475	0.4
193.01413	2.5
194.83701	0.4
225.05577	0.5
227.07169	2.9
229.04922	0.6
229.18047	0.6
249.06100	0.6
253.04927	0.5
267.07162	0.8
267.73431	0.4
269.04520	0.5
271.06097	100.0
272.06427	6.6
295.06122	0.5
313.06799	4.3
314.07016	0.4
343.08163	1.3
373.22244	1.1
391.23599	1.7
433.11389	20.0
433.16406	1.1
433.20929	1.5
434.11649	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37024	0.3
54.74357	0.3
57.03435	0.5
59.01376	14.4
63.02393	2.9
65.00321	8.0
69.77915	1.7
71.01387	0.8
73.02979	0.4
74.08767	0.4
75.00871	0.5
81.03435	0.5
83.01379	5.7
83.15548	0.4
85.02924	0.5
89.02438	0.5
90.13691	0.4
90.54391	0.3
91.20089	0.4
93.03451	5.5
98.19954	0.5
101.02434	0.5
107.01386	15.1
107.24017	0.3
113.02400	0.6
114.44895	0.3
117.03429	0.8
119.05022	29.7
120.05341	0.9
121.02964	0.7
125.02454	3.4
133.03003	0.4
135.11066	0.4
137.02406	0.7
143.05006	1.0
145.02945	4.6
149.02409	0.6
151.00359	61.0
152.00690	1.6
161.06093	1.2
163.04044	0.5
165.01910	5.6
169.01440	2.2
177.01915	4.9
185.06099	2.5
187.04010	2.8
193.01437	1.0
194.70662	0.3
196.26447	0.4
202.89830	0.4
227.07140	3.1
229.05135	0.4
241.14375	0.5
253.05092	0.5
253.14400	0.5
267.06778	0.5
269.04492	0.5
271.06091	100.0
272.06396	5.7
313.05356	4.8
343.08093	0.5
433.11407	17.8
433.16754	1.4
434.11935	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	433.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72091	0.5
52.74409	0.5
59.01382	4.0
59.21479	0.4
60.56148	0.4
61.98838	1.1
69.03439	0.6
71.00771	1.0
71.01376	3.1
73.02894	0.6
77.39861	0.6
83.01392	0.5
85.02971	1.0
85.04066	1.1
87.05653	0.5
89.02435	1.8
95.01380	1.5
96.95982	0.7
101.02441	1.3
104.43520	0.5
113.02408	1.1
123.00887	7.5
124.01659	23.4
125.02449	21.3
126.02747	0.9
128.03528	2.9
143.63062	0.4
149.99580	33.6
151.00105	1.0
153.01982	0.8
157.06174	1.7
161.04547	1.2
167.03465	1.1
168.00636	98.8
169.01353	4.1
181.08704	0.6
189.13847	0.5
223.55853	0.5
239.05528	0.6
249.06174	0.6
257.06622	0.8
293.74432	0.5
299.97293	0.4
301.05597	3.3
320.09183	7.9
343.14020	3.0
389.10110	0.5
415.08908	1.4
433.09839	100.0
434.10052	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	432.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.2
61.98828	100.0
69.56853	1.0
69.57250	2.6
78.63522	0.6
89.62756	0.5
90.22271	0.4
117.03471	1.3
119.05033	2.5
120.05366	0.6
123.15923	0.6
145.02942	6.8
146.03300	4.6
152.99590	0.9
163.04004	1.4
164.04321	0.7
165.53461	0.5
187.70306	0.5
216.30074	0.6
338.22208	2.1
371.22076	0.7
432.24631	3.4
438.27988	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01704	0.9
61.98822	2.2
69.79314	4.0
78.95911	1.8
88.43266	0.7
88.89990	0.7
88.98801	0.9
117.03466	7.5
119.05025	11.1
145.02951	44.4
146.03282	1.7
152.99556	3.1
163.04002	9.8
208.68631	0.8
225.22223	1.5
253.21832	4.5
267.19879	0.9
271.22766	43.2
272.23105	2.5
285.20657	3.2
313.23825	44.0
314.24268	4.0
353.99432	0.9
383.87512	0.9
396.80426	1.0
431.09732	1.2
431.24365	16.9
432.24655	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.26
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	27.5
60.01720	1.4
61.98827	100.0
71.19886	2.1
71.64973	1.4
96.19136	1.3
107.21660	1.4
117.03470	8.7
118.03786	2.7
119.05025	12.6
120.05360	4.8
145.02951	45.2
146.03278	22.3
163.03978	10.1
164.04323	5.0
227.89497	1.5
272.31824	1.6
285.20651	2.8
286.21216	3.4
432.24680	26.4
433.24704	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	431.2435
Annotation	Triflorestevione
Peak:m/z	Relative Intensity
59.01381	1.9
61.98833	1.6
70.38258	0.6
70.38625	0.5
78.95952	0.3
88.98803	0.8
93.03474	0.3
116.35085	0.3
117.03464	16.4
118.03790	0.6
119.05024	29.0
120.05380	0.7
121.02969	2.1
123.04466	0.4
133.02959	0.3
145.02946	100.0
146.03299	3.1
152.99597	0.8
163.04004	19.6
164.04291	0.6
202.54753	0.3
267.19543	1.8
285.20721	8.1
286.21063	0.5
395.33258	0.3
413.23291	0.6
431.24344	34.0
432.24619	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	431.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01704	0.9
61.98822	2.2
69.79314	4.0
78.95911	1.8
88.43266	0.7
88.89990	0.7
88.98801	0.9
117.03466	7.5
119.05025	11.1
145.02951	44.4
146.03282	1.7
152.99556	3.1
163.04002	9.8
208.68631	0.8
225.22223	1.5
253.21832	4.5
267.19879	0.9
271.22766	43.2
272.23105	2.5
285.20657	3.2
313.23825	44.0
314.24268	4.0
353.99432	0.9
383.87512	0.9
396.80426	1.0
431.09732	1.2
431.24365	16.9
432.24655	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20715	0.5
58.77367	0.5
59.01377	100.0
59.55637	0.5
60.01693	1.0
61.25837	0.6
61.98828	2.5
69.77003	3.1
71.01374	3.6
73.02944	1.4
85.02975	1.7
87.00894	0.8
88.98821	1.5
89.02457	2.3
92.16071	0.5
99.18892	0.5
101.02457	2.2
110.42185	0.5
113.02464	1.8
119.03562	1.0
125.02451	0.9
133.26384	0.5
137.02502	1.2
161.04575	2.1
165.01895	3.8
165.12903	2.1
183.13945	0.8
212.01561	0.7
212.05455	0.5
263.09399	0.7
268.03748	1.0
269.04602	0.8
371.20776	3.7
431.09973	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.4
58.86395	0.3
59.01378	100.0
60.01708	0.8
61.98819	1.8
62.11960	0.3
69.34487	2.6
71.01384	5.6
73.02930	0.5
79.27100	0.3
83.01398	0.6
85.02964	1.2
87.00878	0.3
89.02441	6.9
89.02937	0.5
95.01422	0.4
101.02441	2.8
110.08453	0.3
113.02447	2.1
119.03491	2.4
125.02421	0.3
137.02412	0.4
143.03505	0.9
149.04518	0.3
161.04594	1.1
170.61157	0.3
179.05664	1.3
192.51726	0.3
209.11917	0.7
235.43922	0.3
247.66362	0.3
251.12971	0.4
268.03741	6.2
268.06555	0.4
269.04471	1.7
287.08621	0.3
297.53928	0.3
304.21631	0.3
359.99762	0.3
371.10904	0.4
371.20813	1.3
431.09787	4.9
431.23050	0.6
432.10205	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2197
Annotation	PA(18:3(6Z,9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
51.56318	0.4
59.01367	1.3
59.85148	0.4
61.98817	0.9
69.44973	0.4
69.67666	1.3
69.68070	0.9
72.99294	0.8
75.00874	3.3
78.95901	69.5
81.08659	0.3
91.86934	0.5
96.96951	5.2
139.65903	0.4
145.02939	0.6
150.98001	1.3
152.99574	100.0
153.99869	1.1
171.00642	2.9
173.40079	0.4
264.10028	0.4
277.21701	0.8
341.67621	0.4
431.10181	0.6
431.21994	13.8
431.33725	4.4
432.22330	1.1
432.34091	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01787	0.4
55.01885	0.5
57.03435	0.8
59.01378	100.0
60.01710	0.8
61.98828	7.3
70.15453	1.7
71.01378	8.4
72.99332	0.7
73.02946	3.5
75.00838	0.5
78.95925	0.5
78.96459	0.4
79.21414	0.3
83.01412	1.2
85.02946	5.1
87.00865	0.6
88.98814	0.8
89.02421	2.5
95.01372	0.6
98.20480	0.5
99.00890	1.1
101.02430	7.3
113.02447	4.7
119.03525	0.7
119.56979	0.4
125.02496	0.4
125.03634	0.7
137.02464	0.5
143.03416	0.4
159.02980	0.8
161.04539	7.3
186.46281	0.5
200.17693	0.4
209.11919	1.0
220.48843	0.5
227.07130	3.2
234.02834	0.4
249.06287	0.7
251.13034	0.6
267.07156	0.6
269.04651	1.1
314.94662	0.4
371.16992	8.2
372.17432	0.7
385.80261	0.4
389.21936	1.1
399.26120	0.5
431.09836	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31833	0.5
57.03444	1.9
59.01377	67.2
60.01706	0.8
61.98829	5.9
68.99788	0.6
69.03456	1.0
69.12263	0.5
69.20097	4.9
71.01377	9.7
72.99323	1.0
73.02523	0.4
73.02939	9.8
75.00870	1.2
81.03450	0.8
83.01381	10.2
85.02932	3.5
87.00863	1.0
88.98802	0.8
89.02464	2.0
95.01383	1.3
99.00865	1.1
99.04519	7.8
101.02449	7.5
107.01337	0.5
112.51974	0.5
113.02445	5.8
115.04018	1.2
117.01905	0.5
119.03472	0.5
125.02441	1.4
133.02890	0.5
134.03758	0.6
135.80278	0.5
137.02431	0.7
137.09726	1.6
143.03564	0.7
149.02484	0.5
151.00340	1.7
155.10796	1.4
161.04567	1.9
165.12819	2.3
166.05115	1.7
167.03442	1.1
167.05412	1.6
181.08713	0.4
187.16769	0.5
188.04666	0.6
189.12817	2.2
197.55473	0.5
200.04689	0.6
207.13852	6.7
208.14316	1.0
209.11810	21.8
210.12195	1.4
225.14912	5.0
227.03482	1.2
251.12907	2.4
255.02965	36.9
256.03464	3.4
267.15939	1.0
268.03757	1.6
269.04559	1.1
269.13913	53.9
270.14270	3.5
275.12802	1.4
283.02451	20.0
284.03232	75.9
285.03656	5.7
293.13974	0.6
297.04053	2.4
298.04697	0.9
299.05576	100.0
300.05902	6.9
311.15045	3.9
313.06778	0.6
341.06589	1.9
341.15930	1.8
371.17044	5.0
371.20895	1.4
372.17136	0.8
416.07465	6.2
431.10645	5.9
431.14444	2.1
431.19644	10.3
432.19815	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1188
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
55.01843	0.9
57.03444	78.3
58.03748	0.6
58.84543	0.6
59.01375	11.2
61.95063	0.5
69.03461	2.9
69.40474	2.7
69.40910	2.1
69.70729	0.6
71.01389	5.9
73.02951	2.1
76.72389	0.6
81.03444	1.5
83.01382	1.8
85.02946	2.5
95.01403	1.4
97.02940	16.5
98.03230	0.7
99.00893	0.8
99.04509	51.6
100.04805	0.8
101.02432	15.9
113.02434	2.3
125.02438	100.0
126.02773	1.8
143.03484	2.0
161.04572	5.0
203.05638	2.4
243.08656	1.9
321.66373	0.7
329.08829	1.2
431.11890	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68542	0.5
54.48634	0.4
58.02530	0.5
59.01377	100.0
60.01717	0.5
61.98819	1.8
67.84838	0.5
70.20705	0.5
70.92764	0.5
71.01379	1.1
73.02955	1.0
75.61515	0.5
83.05058	0.6
85.02956	0.7
88.98787	0.6
89.02452	0.6
98.19764	0.9
101.02402	0.6
113.02433	0.6
143.77177	0.5
145.03069	0.7
165.12848	5.2
183.13901	4.9
184.38092	0.6
205.15866	0.6
207.13867	0.7
209.11949	1.1
227.10704	1.1
227.12859	9.5
228.13100	0.7
241.14516	0.7
249.15013	1.3
251.13052	1.4
263.13086	0.8
265.14462	0.8
268.03769	0.9
269.13766	1.0
275.13046	1.1
281.13840	0.6
293.13950	8.0
345.15701	0.6
371.17261	1.4
390.51901	0.6
431.09726	0.8
431.23947	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0981
Annotation	Kaempferide 3-alpha-L-arabinopyranoside
Peak:m/z	Relative Intensity
57.03445	0.4
59.01375	16.6
61.98830	2.0
65.00414	0.4
69.22518	3.4
71.01376	2.5
73.02924	0.7
75.00864	0.9
81.00429	0.4
83.01388	0.7
85.02934	2.1
87.00846	0.7
89.02422	1.1
98.19885	1.0
99.00870	0.6
101.02424	1.6
107.52611	0.4
109.02867	0.4
109.69542	0.4
113.02442	2.2
119.03455	0.5
119.04958	0.4
121.02929	0.4
125.02415	1.3
137.02426	0.9
137.09705	1.7
138.45122	0.4
149.02437	0.6
149.86671	0.4
151.03990	0.7
155.10741	1.3
161.04506	0.7
163.39493	0.4
165.01881	0.6
166.05145	0.4
167.03517	1.0
227.03308	0.5
255.02960	72.9
256.03311	5.4
268.03711	1.8
269.04529	3.4
281.04501	0.4
283.02451	56.8
284.03040	7.8
285.03934	1.3
297.03998	9.6
298.04782	13.6
299.05560	2.8
313.03491	0.9
371.20679	1.1
387.16541	0.9
416.07446	29.7
417.07742	2.2
431.09799	100.0
431.14990	4.6
432.10178	9.5
432.15591	0.6
443.23651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	18.6
60.38060	0.6
61.06364	0.6
61.98824	1.7
71.01360	2.7
71.53310	0.9
73.02927	3.0
77.03961	2.2
77.80392	0.6
79.01872	1.5
85.02937	1.7
89.02421	1.3
91.34476	0.6
93.03446	2.3
101.02422	2.9
105.03389	0.7
113.02416	1.2
117.03447	11.8
121.02935	3.1
125.02395	1.0
135.04486	2.1
149.02425	1.6
152.03473	0.7
159.04492	2.0
161.02417	5.5
161.04527	0.9
163.00352	1.2
163.03964	2.5
165.01892	2.1
183.04558	1.4
191.03464	1.1
197.06059	1.2
203.03528	0.7
209.11829	3.5
224.04758	0.8
225.05746	0.8
228.31276	0.7
239.07091	2.5
253.05029	1.2
254.05623	0.7
262.14511	0.7
268.03647	3.2
269.04581	8.0
281.04532	9.3
282.05200	5.5
283.06097	57.7
284.06473	3.6
293.04443	1.9
295.06161	3.5
309.03955	1.0
311.05576	100.0
312.05981	6.3
314.04416	1.4
323.05545	8.2
341.06613	25.0
342.07129	1.6
353.06494	1.7
371.08102	0.8
413.08585	2.5
431.09781	67.0
431.19226	2.3
432.10080	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	430.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82724	1.4
58.04293	1.2
58.65368	1.1
58.69804	1.5
59.01369	5.7
61.98828	100.0
63.10301	1.2
66.18221	1.3
66.92347	1.4
68.39066	1.4
73.43849	1.2
92.81386	1.8
98.19910	2.7
98.91285	1.2
119.04966	1.5
145.02928	5.4
214.99902	1.5
272.40131	1.4
306.52222	1.4
390.66882	1.3
410.23407	1.8
418.20181	1.5
431.24420	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	431.098
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
56.84402	0.2
57.03453	0.2
58.41276	0.2
59.01375	6.8
61.98829	1.6
63.02393	1.0
65.00334	0.7
69.89112	0.3
69.89509	0.6
70.09335	0.2
71.01365	1.0
71.86589	0.2
73.02932	0.4
82.95413	0.3
83.01376	1.0
88.98818	0.3
89.02428	0.4
95.01321	0.2
101.02446	0.4
107.01384	1.8
113.02447	0.4
117.03439	2.2
119.03514	0.2
121.02935	0.2
125.02423	0.3
140.13100	0.2
148.01648	0.5
149.02412	1.4
149.99574	0.6
151.00348	3.4
158.03784	0.2
159.04546	0.2
171.04498	0.5
172.05289	0.5
183.04486	0.4
184.05252	0.4
185.02388	0.2
195.04414	0.3
196.05310	0.8
199.04150	0.3
200.04774	0.8
201.05527	0.3
209.11794	0.6
211.03992	1.3
212.04781	0.8
224.04832	0.2
225.05493	0.4
227.03487	0.4
239.03458	3.2
240.04243	4.4
241.04974	0.2
251.12592	0.2
267.02933	1.6
268.03732	100.0
269.04440	27.7
270.04803	1.7
281.04486	0.3
283.05988	0.6
311.05368	1.4
341.06781	0.2
343.21066	0.2
431.09772	79.2
432.10138	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	429.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01701	1.1
61.98835	2.2
69.73689	0.8
71.19167	1.5
78.39130	1.0
81.59742	0.8
181.16566	1.1
215.40822	1.0
271.19916	0.9
321.55258	1.0
328.27975	1.0
429.30139	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	430.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.0
61.98827	100.0
63.72366	0.9
67.24777	0.8
69.57281	5.9
76.39146	1.1
83.14037	0.8
85.99550	0.9
98.20634	1.6
105.45480	0.9
145.02965	3.9
161.33493	0.8
197.47368	1.0
225.88774	0.9
331.54715	0.9
431.24164	1.4
452.86749	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88779	0.4
59.01373	2.4
60.01682	0.5
61.98827	100.0
69.57439	0.4
69.70087	2.5
76.68629	0.4
145.02971	0.8
153.43196	0.5
176.24777	0.4
190.81882	0.4
200.74762	0.4
308.68655	0.4
363.53873	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01712	1.1
61.98828	0.6
67.70390	0.3
69.49242	2.3
89.02472	0.5
91.04018	1.4
95.06313	0.3
97.31186	0.4
97.57030	0.3
99.37367	0.3
129.50685	0.3
133.21416	0.3
195.13960	0.7
271.56488	0.3
277.21835	1.1
295.22745	12.3
296.23083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01720	0.7
61.98824	0.5
64.27991	0.2
69.78983	0.7
69.79398	0.5
88.86710	0.2
89.02446	0.2
91.04004	3.2
101.37269	0.2
155.78346	0.2
195.13831	1.4
262.72601	0.2
277.21793	0.8
295.22769	14.4
296.23117	1.4
314.07050	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00991	0.3
57.03432	0.4
58.00599	0.4
59.01378	100.0
60.01730	0.9
61.98837	1.3
71.01383	10.4
71.53026	0.5
71.53374	0.4
72.99323	0.6
73.02944	14.5
75.00878	0.7
83.01381	4.1
85.02962	1.7
87.00889	0.7
89.02440	3.1
98.02514	0.4
101.02438	12.3
113.02452	4.8
119.03510	1.7
125.02442	0.5
131.03519	1.2
141.02954	0.5
143.03488	1.1
149.04521	0.8
155.03549	0.4
161.04555	2.5
165.09181	5.7
179.05725	0.8
181.08775	0.7
189.18785	0.3
205.12480	0.3
369.19205	0.5
429.17581	1.6
429.22269	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12674	0.3
57.05518	0.3
59.01379	100.0
60.01710	0.9
61.98833	1.4
66.60188	0.3
69.21056	1.6
69.21481	1.4
71.01384	8.6
71.22182	0.4
72.99323	0.8
73.02948	2.9
83.01423	1.0
85.02957	2.4
87.00899	0.5
89.02445	8.7
92.59122	0.3
95.01402	0.7
99.04544	0.5
100.41714	0.3
100.66856	0.4
101.02437	5.9
102.48445	0.3
107.65560	0.4
110.45448	0.3
113.02435	3.8
115.04576	0.3
119.03509	4.2
134.06108	0.3
143.03506	1.1
149.04564	0.7
152.01155	0.7
161.04567	1.7
161.13411	0.8
174.84560	0.3
176.32765	0.3
178.72517	0.3
179.05621	2.1
205.12410	1.1
249.11324	6.4
250.11679	0.6
284.03366	0.7
387.20120	0.8
429.08691	1.0
429.17426	0.9
447.79395	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01710	0.6
61.98828	2.0
63.41744	0.4
64.39034	0.5
71.01389	1.8
71.53918	0.7
73.02911	0.5
85.02978	0.5
89.02455	0.5
101.02464	1.8
113.02467	0.5
122.78787	0.5
124.19747	0.5
180.79213	0.5
223.17119	1.6
236.29446	0.6
267.16104	2.1
305.47162	0.5
348.37595	0.6
359.80826	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.2
59.01377	100.0
60.01743	0.7
61.51828	0.6
61.98841	3.5
63.44352	0.7
66.91882	0.6
71.01379	10.3
73.02945	9.7
80.44024	0.6
83.01405	2.6
85.02969	2.5
87.00890	0.9
89.02457	5.1
95.01420	0.6
98.19870	1.6
99.00875	1.2
101.02441	9.8
113.02441	4.9
119.03521	1.8
137.02467	0.8
143.03348	0.6
146.70261	0.6
149.04625	0.8
161.04587	2.0
163.11295	1.3
165.09189	3.4
173.24005	0.7
175.94231	0.6
214.29160	0.6
309.13263	3.7
327.14465	1.7
369.15445	1.7
387.20569	1.7
429.17813	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91306	0.7
56.42411	0.7
58.00601	1.3
59.01376	100.0
61.98816	1.1
66.83546	0.7
67.16425	0.7
69.70935	3.8
71.01377	43.0
72.99286	3.0
73.02946	2.2
81.07072	1.2
81.42169	0.8
83.01395	1.9
85.02937	6.8
85.06570	1.3
87.00867	1.9
89.02440	37.2
93.07080	1.1
95.01377	1.4
99.04517	6.6
101.02434	21.9
113.02432	14.6
119.03486	17.0
130.08711	1.5
131.03485	3.3
131.07167	5.2
136.07619	1.2
143.03497	3.1
149.04475	1.7
161.04539	2.8
161.13330	14.7
179.05603	6.3
180.06612	0.8
185.08160	1.7
187.11249	2.3
195.13576	0.9
205.12317	34.6
206.12611	1.3
225.14865	5.2
249.11298	51.7
250.11639	3.1
275.11191	3.9
279.98203	0.9
317.12296	1.6
385.18484	1.2
387.19986	1.9
399.22580	1.0
406.78690	0.8
429.17529	10.7
429.23087	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	429.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.3
58.00592	3.3
59.01377	100.0
60.01703	1.1
61.98830	1.9
69.15886	4.5
69.16308	4.0
71.01379	43.3
72.99300	3.3
73.02934	2.3
81.07118	1.6
83.01382	2.0
85.02953	9.3
87.00872	1.7
89.02442	51.3
90.02757	0.9
91.42037	0.8
95.01382	3.3
95.63908	0.8
99.04520	5.9
101.02438	24.0
111.04507	2.8
113.02452	16.4
113.06078	1.2
113.52234	0.9
116.84257	0.9
119.03498	21.9
131.03513	2.3
135.04587	1.1
143.03462	4.2
149.04562	1.8
161.04520	4.2
161.13353	19.7
179.05649	11.2
187.11223	4.2
205.12332	60.1
206.12675	4.2
225.05525	3.2
249.11295	68.8
250.11592	4.9
285.04153	1.3
353.93109	1.0
385.18561	1.8
429.17477	22.6
429.22952	1.3
430.17776	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63128	0.1
59.01372	0.4
60.50726	0.1
61.98822	0.3
63.17297	0.1
69.68367	0.7
83.05083	0.1
91.31527	0.1
99.00895	0.3
99.92579	4.7
100.92673	0.4
100.93355	4.0
101.44431	0.2
101.93393	0.2
110.89982	0.2
115.92075	100.0
116.92089	3.8
116.92871	5.8
117.92496	0.3
132.92349	1.2
142.94398	0.3
155.95238	0.3
172.95462	5.4
173.95534	0.2
191.57365	0.1
255.23116	0.8
342.60062	0.2
350.13449	0.2
355.15839	0.7
359.09113	0.2
371.15393	0.3
381.17270	0.9
382.18369	0.2
411.18585	0.3
429.19446	6.6
430.19730	1.0
438.92371	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.3
56.78561	0.8
57.03439	3.7
59.01378	100.0
61.98822	4.2
69.03438	1.4
71.01381	15.4
72.99280	1.4
73.02939	6.2
75.00858	1.4
83.01382	4.4
85.02940	6.8
87.00889	2.0
88.80128	0.9
89.02437	5.9
91.16035	1.0
96.95982	1.0
99.00860	2.4
101.02452	11.3
102.68645	1.0
113.02462	8.6
119.03477	1.5
125.02447	1.4
161.04520	4.6
165.09200	19.6
166.09546	1.6
181.05086	1.3
191.00241	0.9
204.35530	0.9
204.53729	1.1
207.06642	2.9
207.13914	1.4
225.14995	2.4
230.79852	1.0
249.11218	1.4
279.12350	1.4
292.02414	1.1
309.13422	32.9
310.13812	2.4
327.14462	23.4
328.14944	2.3
369.15210	10.4
369.19571	8.0
370.15601	1.2
387.20361	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	429.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25342	0.6
57.03444	11.4
58.00594	0.9
59.01376	100.0
60.01704	0.8
61.98829	1.2
69.27341	1.5
69.27755	4.3
71.01380	18.6
72.89133	0.6
72.99297	1.8
73.02954	1.9
81.03459	2.6
81.07124	0.7
83.01377	1.3
85.02953	5.4
87.00887	1.5
89.02439	20.3
95.01371	0.8
99.04519	6.2
101.02446	14.5
101.59026	0.6
108.02175	1.0
113.02446	7.8
114.02865	0.6
119.03490	9.6
119.05009	0.7
129.21938	0.7
134.03717	0.7
135.58104	0.6
138.03299	0.7
143.03473	1.2
149.04501	1.5
152.01169	1.7
161.04518	1.9
161.13354	8.7
163.03987	1.5
166.02713	5.0
178.06322	1.7
179.05592	3.4
181.05066	11.9
193.08826	1.2
196.07428	1.0
205.12332	16.5
206.12653	0.8
211.09798	5.4
225.14948	0.7
249.11304	34.8
250.11749	2.1
252.79543	0.7
288.13547	0.7
429.17535	19.2
430.18127	1.5
450.17444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50396	0.8
57.03462	1.3
58.00601	2.2
59.01377	100.0
60.01719	0.9
61.98841	1.3
65.80184	0.7
69.03458	1.1
69.29007	6.6
71.01377	49.8
71.05035	0.8
72.99318	2.4
73.02951	2.8
81.07118	1.5
81.09295	0.8
83.01395	1.8
83.05019	1.0
85.02941	6.9
85.06590	2.0
87.00884	2.1
89.02440	28.9
95.01389	1.7
95.11626	0.7
99.04496	4.0
99.22319	0.8
101.02434	13.3
113.02448	12.0
119.03490	12.0
121.02943	0.8
130.08742	0.7
131.03500	1.4
131.07132	13.4
136.07690	1.9
143.03499	2.3
149.04631	1.0
153.09273	0.9
161.04597	2.7
161.13362	15.3
179.05617	4.4
185.08186	4.7
187.11317	1.9
205.12323	25.3
206.12682	1.5
225.14915	6.8
249.06065	1.6
249.11310	42.4
250.11754	3.8
267.12445	1.1
272.03885	0.8
275.11386	10.7
317.12469	2.4
429.17633	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	427.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39804	0.4
59.01379	100.0
69.49329	3.5
98.20630	1.0
111.16888	0.4
113.09655	0.5
142.25247	0.5
195.92650	0.5
201.23563	0.5
229.22855	0.6
240.58673	0.4
293.21191	5.9
346.46912	0.6
449.09387	0.6
452.34644	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17348	0.3
59.01377	100.0
60.01710	0.8
61.78988	0.4
61.98827	3.8
65.95664	0.3
69.46788	2.1
69.47203	0.9
159.99686	0.4
178.87411	0.4
231.91434	0.4
299.20490	0.4
315.64700	0.4
435.36874	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71426	0.3
59.01379	100.0
60.01711	1.1
61.98822	0.6
69.45338	2.7
71.96886	0.4
92.74929	0.4
98.19855	0.4
113.09802	0.4
126.45101	0.3
127.66536	0.4
293.21231	5.7
294.21561	0.5
333.90402	0.5
347.47165	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22245	0.8
58.92683	0.8
59.01377	100.0
61.98817	2.6
68.78184	0.9
71.01406	1.0
71.53938	0.9
78.90382	0.9
91.03997	3.4
131.64946	1.0
140.04498	1.0
186.11215	0.9
275.20020	1.5
293.21115	3.7
445.08160	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56106	0.9
59.01383	5.4
61.73384	1.0
61.98829	100.0
63.13147	0.9
71.42785	1.6
94.13346	0.9
123.89027	1.1
162.39890	1.0
183.91786	1.0
298.14005	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.6
60.93678	0.5
61.98811	1.5
63.88695	0.5
65.39947	0.6
82.26105	0.6
83.05073	0.4
97.06611	0.6
132.79945	0.4
160.52028	0.6
167.14439	0.5
177.12888	0.8
183.13896	9.2
193.12251	1.3
195.12080	0.9
195.13890	21.6
196.14244	1.6
211.13374	30.0
212.13684	1.4
213.14967	8.1
223.13460	0.6
230.31882	0.7
315.26917	2.7
341.24875	0.8
359.25977	3.6
377.26810	4.1
395.27750	0.7
407.28012	1.7
425.29080	100.0
426.24023	0.7
426.29498	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57701	1.2
51.70166	1.2
59.01374	3.9
60.40194	1.3
61.98826	7.5
110.86071	1.3
136.65681	1.4
145.91829	1.3
158.13626	1.2
183.13905	12.3
195.13889	21.2
211.13379	31.0
213.14876	8.5
315.26941	2.6
359.26144	2.1
362.85443	1.5
377.27048	2.4
407.27832	1.5
425.29074	100.0
426.29529	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	425.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	53.8
58.03790	1.2
59.01376	41.4
61.98827	4.0
68.44308	0.7
69.03452	1.4
69.28646	6.0
71.01383	1.2
73.02949	1.2
81.03446	1.8
83.05015	2.0
90.67195	0.8
93.03407	0.9
95.05003	4.5
97.02953	2.1
99.04517	27.5
101.02440	13.9
109.02943	2.1
111.04514	19.4
116.91611	0.7
121.06571	4.4
122.03751	2.4
123.08155	3.2
124.05296	5.2
125.02413	1.3
125.06171	0.7
125.09724	2.7
131.99388	0.7
133.10316	0.9
135.08150	1.5
136.94850	0.7
137.06062	2.6
139.07639	28.2
140.07950	1.2
143.08597	0.8
149.06023	1.3
149.09657	0.9
159.11803	1.5
160.27597	0.6
161.04559	10.0
164.08374	1.5
165.09158	2.4
169.08774	0.8
169.10161	1.1
171.11778	13.3
172.12112	1.1
182.28737	0.8
187.11298	1.8
189.12830	8.8
199.51964	0.7
201.12836	5.9
201.14516	1.1
207.13965	4.2
215.10736	2.1
219.13849	4.1
221.11818	2.5
225.93289	0.8
233.11786	2.9
237.14946	8.6
237.58942	0.8
263.12848	2.7
281.13916	100.0
282.14270	6.9
289.07211	0.8
323.14941	19.3
324.15326	1.7
363.18091	10.3
364.18469	0.9
387.14444	0.9
425.18231	20.4
426.18759	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	425.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98832	4.1
62.00655	0.8
70.46666	3.1
131.66959	1.0
133.37604	1.0
137.64532	1.1
141.92102	0.9
291.19736	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.2
59.75922	0.9
60.11676	1.0
67.05515	1.8
67.23782	0.8
71.05019	9.9
79.95745	1.0
80.05048	1.6
86.67330	0.8
98.19915	3.4
114.09249	2.3
123.47186	0.8
130.08736	13.9
145.60695	0.8
186.14960	5.6
194.11842	1.4
212.13043	1.3
230.13950	100.0
231.14336	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	425.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01711	0.9
61.98835	5.8
69.22913	1.0
69.23324	4.5
71.01382	1.8
75.00877	0.7
89.02444	0.8
98.19923	1.0
101.02489	1.0
113.02422	0.7
161.04765	0.7
161.06078	18.5
161.07446	0.9
162.06508	0.7
165.12895	2.7
183.13904	4.9
185.17860	0.5
218.17496	0.5
227.12881	8.4
245.73903	0.6
251.13055	1.0
389.18347	0.7
425.21747	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31647	0.8
59.01381	4.3
61.98830	100.0
69.59970	4.6
71.01398	0.9
78.95892	3.5
79.95734	1.0
84.95163	0.6
91.90046	0.6
93.70679	0.7
96.96020	5.4
96.96970	5.2
100.83050	0.7
134.50494	0.7
265.07629	1.2
316.92374	0.7
327.01361	0.8
337.96951	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20685	0.3
57.03431	0.5
59.01377	100.0
60.01709	0.9
61.98838	0.7
69.03460	0.4
69.24793	1.0
69.25216	1.9
70.38489	0.4
71.01389	1.3
73.02952	1.1
73.98101	0.3
79.95736	0.4
85.02951	0.4
89.02453	0.7
96.96010	1.6
99.00879	0.4
99.04535	0.4
101.02438	0.8
101.08830	0.3
113.02425	0.3
119.03484	0.3
125.02416	0.4
139.07706	0.6
182.94914	0.4
187.11324	1.1
205.12314	2.3
235.13437	0.6
279.12497	1.5
321.19449	0.6
324.16064	0.3
363.20404	0.9
386.55069	0.3
396.80685	0.4
423.16736	1.6
430.12781	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2514
Annotation	Methyldehydrograviphane
Peak:m/z	Relative Intensity
56.95639	0.3
70.74387	0.6
78.95900	12.5
102.88019	0.3
104.97460	0.5
105.69982	0.3
110.98530	9.0
148.32704	0.3
152.99631	0.5
167.01134	9.5
175.15874	0.3
185.02206	2.6
185.03746	0.4
191.42314	0.3
194.20247	0.3
204.38260	0.3
215.99701	0.3
236.82777	0.3
255.23268	100.0
256.23651	7.3
326.74860	0.3
342.19232	0.3
348.39838	0.3
423.25128	21.7
424.25415	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	423.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.16785	0.3
60.01713	1.1
61.98826	1.4
62.74507	0.3
71.01382	2.0
71.01714	0.3
71.05045	0.3
73.02952	0.6
79.06728	0.2
82.42043	0.3
85.02960	0.7
88.04027	2.0
89.02475	1.0
96.96008	0.7
101.02461	1.1
113.02449	0.7
119.03531	0.4
121.02953	0.4
146.08267	0.7
147.08679	0.3
152.01230	0.4
158.33192	0.3
168.00610	0.3
218.10405	0.9
219.10732	0.7
363.20322	0.9
381.17801	0.5
423.18332	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01716	1.0
61.98826	1.1
63.71969	0.3
70.15439	1.0
71.01385	0.8
89.02448	0.6
96.12480	0.4
96.95976	0.5
98.32981	0.3
99.00906	0.3
101.02442	0.6
113.02465	0.4
214.84978	0.3
249.64276	0.3
321.19174	0.4
423.17111	0.5
444.94031	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1659
Annotation	Ainslioside
Peak:m/z	Relative Intensity
50.95292	1.0
53.19007	1.0
57.03448	33.9
59.01379	43.1
60.01699	1.3
61.48897	1.1
61.98815	1.2
69.03471	1.3
69.39639	5.0
69.40066	3.5
71.01363	3.1
71.05024	1.6
79.08482	1.2
83.05016	2.5
83.57640	1.0
89.02438	2.1
95.05029	2.4
97.02950	9.6
97.06563	1.3
99.04517	17.8
101.02439	8.4
109.02956	7.6
109.06588	10.3
111.04508	4.2
119.03445	1.3
119.08633	4.1
121.06579	4.8
122.03733	13.2
123.04471	1.5
124.05297	5.4
125.02447	14.7
125.06056	2.5
126.02792	1.4
135.04514	1.3
135.08163	2.4
136.05244	1.5
137.06085	10.9
137.09746	1.7
139.07645	25.6
140.07986	1.4
145.10223	2.7
147.02620	1.1
147.08159	2.4
149.06102	1.6
150.99883	1.1
157.10248	1.4
161.04608	1.2
162.06775	1.5
163.07646	5.0
163.11238	4.1
168.00630	3.3
168.07906	4.0
169.08708	1.1
171.08136	2.2
175.11258	1.5
177.12801	4.1
187.09581	1.9
187.11264	38.5
188.11537	1.7
189.09201	1.2
190.09972	7.3
190.37727	1.1
191.10432	1.2
205.12317	100.0
206.12666	4.9
217.12315	7.5
235.11209	2.0
235.13374	22.1
236.13744	1.5
249.11302	6.5
261.11264	3.4
279.12341	78.4
280.12701	5.1
321.13364	12.7
423.16544	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65259	1.3
57.03447	29.4
59.01377	43.0
70.00281	3.1
70.00675	3.5
95.05015	1.9
97.02933	6.9
99.04524	19.3
100.64795	1.4
101.02444	4.3
109.02937	4.3
109.06602	2.9
111.04501	3.8
119.08630	2.4
121.06579	3.3
122.03717	9.5
124.05295	19.7
125.06100	2.4
133.06583	5.7
137.06078	9.2
137.21295	1.5
139.07646	100.0
140.07990	3.4
144.31393	1.6
147.08199	3.3
161.04517	8.1
168.07913	14.1
169.08675	10.9
181.08667	3.9
187.11279	11.6
190.09984	3.8
197.93661	1.4
205.12332	19.6
211.09769	3.6
216.28618	1.4
235.13374	5.2
236.13655	1.4
249.11298	7.7
279.12375	78.1
280.12711	4.9
321.13553	2.4
345.80444	1.4
370.59372	1.4
397.63870	1.4
423.16568	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	421.236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16727	7.0
59.01370	23.0
61.98830	100.0
71.52935	6.4
76.76042	6.4
88.98797	7.4
89.02442	8.6
90.56836	6.1
104.92797	6.6
108.31345	7.0
121.02917	9.3
121.19950	6.4
218.74492	6.5
355.10382	6.5
421.27826	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	421.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01715	1.3
61.98826	2.8
71.01382	0.7
71.20102	0.7
81.02426	0.4
87.78403	0.4
89.02442	0.6
91.04001	5.0
101.02444	0.5
154.20888	0.4
192.46423	0.4
200.32458	0.4
207.10594	0.4
234.06383	0.5
287.22263	17.5
288.22690	1.5
313.70508	0.4
384.94070	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01721	1.5
61.98825	4.2
71.01385	1.2
71.08118	1.6
73.97266	0.6
74.96319	0.5
81.15067	0.7
83.32761	0.5
85.02946	0.6
89.02458	1.5
91.03986	3.4
96.96010	1.3
98.58179	0.6
101.02448	0.7
113.02452	0.7
113.27884	0.6
148.21696	0.6
171.00693	0.6
196.08716	0.5
216.92119	0.6
241.17857	0.6
287.22269	14.5
288.22449	0.6
335.37567	0.6
338.57651	0.6
350.19272	0.6
395.07733	0.7
421.18604	0.6
433.36166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	8.4
59.01368	4.4
61.98816	0.7
71.01374	9.5
71.05012	10.4
72.00914	1.1
86.34348	0.6
88.04034	59.7
89.04346	1.0
99.04525	2.6
102.00022	0.5
115.05511	5.9
116.07185	1.0
126.09252	0.7
128.07167	15.6
131.05020	6.4
133.06592	100.0
134.06918	4.0
144.03023	0.8
146.08226	24.5
147.04558	1.2
147.08513	0.8
158.03720	2.2
159.04512	16.7
160.04820	0.7
175.04002	1.2
177.05547	6.5
185.02441	4.2
200.09258	4.6
203.03499	10.3
218.10313	45.3
219.10638	1.4
221.04520	5.0
373.95822	0.5
393.14108	0.5
404.13498	2.8
422.14526	84.2
423.14847	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	423.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44419	0.8
57.03447	1.6
58.00592	1.2
59.01378	67.7
60.01731	1.1
61.98829	10.1
66.58257	1.0
69.24792	7.9
71.01382	15.7
71.31004	1.0
73.02938	1.2
75.00861	1.5
85.02952	4.9
87.00864	1.2
88.98785	1.8
89.02435	13.9
90.40108	1.0
94.39836	1.0
95.01390	1.3
96.96008	14.2
101.02441	9.9
101.79529	0.9
112.93613	0.9
113.02452	5.1
119.03481	5.6
122.06116	1.0
122.97156	0.9
125.02428	0.9
137.02542	1.1
150.05510	2.0
156.55458	0.9
161.04549	1.8
163.11298	11.7
164.11577	1.1
165.05598	1.1
175.83833	0.9
177.80673	1.1
179.05630	1.8
195.06641	1.3
267.11447	1.2
279.53098	0.9
285.12552	1.6
311.10175	1.1
311.85754	1.1
314.59494	1.2
329.11523	1.3
387.16574	100.0
388.16922	9.3
405.25000	3.5
423.26309	8.6
424.16373	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71922	0.4
53.19407	0.4
53.54803	0.4
57.96978	0.5
59.01376	100.0
60.01712	0.5
61.98848	0.5
64.51023	0.4
67.14344	0.4
71.01379	4.4
71.53841	0.4
71.54224	0.5
73.02953	1.6
83.01381	0.8
85.02951	1.6
89.02426	2.8
99.00890	0.4
101.02451	4.4
109.02956	0.8
113.02448	2.3
119.03495	1.2
132.49368	0.4
161.04588	1.7
165.18703	0.5
179.05612	0.6
301.16507	2.4
305.10239	0.4
319.17578	12.7
320.18057	0.8
349.20154	0.4
361.18637	11.4
362.19159	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73339	17.6
59.01365	51.0
61.98818	66.3
69.69857	100.0
79.09004	17.0
88.98795	18.1
109.33050	18.2
152.82330	16.9
164.56784	16.3
164.58043	20.3
185.02155	26.9
192.28526	17.5
258.35110	16.1
293.21271	82.6
293.42456	21.0
347.25735	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27039	12.3
52.57513	10.0
52.63517	12.1
59.01370	37.4
61.98831	100.0
62.68631	12.2
69.78780	47.0
81.95122	12.4
88.98838	22.7
95.92707	13.5
96.96011	17.3
112.98558	15.4
121.02975	26.9
125.09751	25.0
129.33246	10.5
138.31187	11.5
152.81493	12.8
191.16783	11.6
233.15489	53.9
288.66602	11.9
403.24854	86.5
421.27066	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	421.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.22908	4.3
60.45018	4.2
61.98817	16.5
69.54134	29.4
71.01379	15.1
71.93098	4.5
73.02936	7.6
75.00870	7.8
85.02956	13.3
87.00903	6.8
88.98803	4.5
89.02447	13.2
96.96028	11.0
99.00887	4.8
101.02405	9.3
113.02434	12.2
137.02444	27.2
138.01956	16.6
153.09189	8.4
157.08727	4.3
171.10265	29.0
174.54573	4.7
180.74873	4.6
182.95052	5.0
209.11754	10.1
249.06044	5.5
259.09808	20.5
421.16428	97.5
422.17200	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	421.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07354	2.7
57.03443	8.5
59.01376	100.0
60.50990	2.9
60.82723	2.5
61.98819	10.4
69.88683	14.6
71.01381	27.2
71.05016	3.9
73.02938	11.0
75.00862	5.5
80.51563	2.8
82.11633	2.6
83.01353	4.0
83.99821	3.0
85.02944	13.3
87.00859	7.9
89.02457	21.8
95.01357	4.0
96.95988	4.5
99.00897	3.1
99.04527	8.6
101.02433	18.2
101.86581	2.8
113.02442	13.6
115.00351	10.4
119.03517	7.2
121.02934	4.6
121.63865	2.7
151.81802	3.0
161.04552	7.3
171.10242	6.1
175.02541	14.5
175.03752	3.6
241.14447	12.0
247.12196	3.7
251.05476	4.5
259.09702	3.6
291.05042	10.3
295.11661	3.0
345.10950	3.8
361.18619	8.2
377.17825	3.8
403.23190	4.3
421.16455	48.4
421.20630	7.0
421.24548	16.5
422.16739	5.5
442.88446	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	421.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.6
58.02973	3.9
59.01381	33.0
61.98822	12.7
69.66000	14.9
69.66424	4.8
70.02997	6.2
71.01373	9.3
71.05012	12.4
72.99294	2.9
85.02940	6.1
85.04048	5.2
86.76779	2.8
87.05648	7.3
89.02426	7.6
93.86611	2.8
96.96032	5.4
99.04511	7.1
101.02458	5.7
102.29044	2.7
113.02424	4.0
128.03529	12.7
129.03925	4.3
130.03349	8.1
130.91748	2.7
146.08226	76.7
147.05949	4.8
157.06166	7.7
158.06454	4.9
161.04616	2.7
205.04938	4.7
208.11913	2.6
217.11917	19.1
261.12640	3.1
268.09332	2.9
277.12244	100.0
278.12607	4.2
283.11203	3.4
315.87534	2.8
322.09164	4.6
323.09149	11.1
347.67841	2.8
354.81958	2.7
377.18033	4.1
395.96521	2.7
421.16055	27.1
421.20822	13.8
422.16574	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	420.1807
Annotation	Dehydrodecodine
Peak:m/z	Relative Intensity
59.01379	1.6
61.98822	2.8
63.72209	0.8
71.01377	6.7
71.29568	1.3
82.02991	4.7
84.04545	0.9
84.67688	0.8
85.04068	38.2
86.02476	2.4
87.02743	0.9
87.05631	9.8
88.04016	7.4
94.19501	0.7
97.04091	1.0
101.07188	1.1
109.04073	2.7
111.01990	1.4
111.79840	0.8
112.02764	1.8
113.03613	3.9
123.58814	0.8
127.05132	5.7
128.03535	75.9
129.03868	2.7
133.06929	13.3
134.07323	1.1
135.05627	6.4
138.90753	0.7
141.44757	0.9
145.06238	0.9
150.06685	1.0
152.08287	7.7
153.06662	4.1
157.06174	50.2
158.06558	0.9
159.07687	3.6
170.09320	2.0
178.06190	9.0
179.04602	8.9
184.04881	3.7
185.05527	1.0
196.07262	16.1
196.09001	1.5
197.05649	0.9
201.59886	0.7
214.08327	2.2
224.10463	2.0
242.11473	0.9
268.09378	11.3
286.10437	26.5
287.10684	2.0
291.13831	2.8
312.13828	1.5
321.09521	1.1
322.08893	5.1
348.15927	1.5
402.16983	8.1
420.18060	100.0
421.18372	9.8
443.37061	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	80.4
61.98828	100.0
62.77686	14.1
68.19054	14.0
71.41557	22.3
140.96480	15.4
154.00415	13.4
178.09532	12.8
225.24223	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	419.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56084	0.5
59.01377	100.0
60.01701	1.3
61.98824	5.2
71.01391	0.8
71.53779	0.5
71.54202	0.7
91.04039	0.6
104.98023	0.6
111.32795	0.6
141.89694	0.5
142.86188	0.6
165.22067	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.6
61.98822	2.8
63.72209	0.8
71.01377	6.7
71.29568	1.3
82.02991	4.7
84.04545	0.9
84.67688	0.8
85.04068	38.2
86.02476	2.4
87.02743	0.9
87.05631	9.8
88.04016	7.4
94.19501	0.7
97.04091	1.0
101.07188	1.1
109.04073	2.7
111.01990	1.4
111.79840	0.8
112.02764	1.8
113.03613	3.9
123.58814	0.8
127.05132	5.7
128.03535	75.9
129.03868	2.7
133.06929	13.3
134.07323	1.1
135.05627	6.4
138.90753	0.7
141.44757	0.9
145.06238	0.9
150.06685	1.0
152.08287	7.7
153.06662	4.1
157.06174	50.2
158.06558	0.9
159.07687	3.6
170.09320	2.0
178.06190	9.0
179.04602	8.9
184.04881	3.7
185.05527	1.0
196.07262	16.1
196.09001	1.5
197.05649	0.9
201.59886	0.7
214.08327	2.2
224.10463	2.0
242.11473	0.9
268.09378	11.3
286.10437	26.5
287.10684	2.0
291.13831	2.8
312.13828	1.5
321.09521	1.1
322.08893	5.1
348.15927	1.5
402.16983	8.1
420.18060	100.0
421.18372	9.8
443.37061	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	16.5
59.63808	2.0
61.98827	11.7
62.58723	2.1
66.21182	1.9
70.02984	13.6
71.13033	4.7
71.75174	2.0
87.04520	7.7
92.05100	1.9
114.01954	31.3
125.09733	4.7
132.08177	4.9
134.09756	21.7
137.85783	2.0
156.99934	1.8
160.07677	33.2
174.39577	2.3
178.08795	2.5
216.13986	4.6
242.19055	14.7
242.43629	2.1
243.19508	2.8
260.20184	7.6
266.20404	2.3
268.17075	6.7
286.18167	4.1
304.19165	100.0
305.19455	8.9
375.22824	6.8
419.16278	3.3
419.21799	42.9
420.22104	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62477	11.9
59.01378	50.2
61.98832	100.0
68.08649	12.1
70.73215	12.2
71.53062	21.0
74.77165	11.9
81.35374	15.2
91.13138	14.9
109.08710	14.0
109.59353	13.8
109.73792	14.3
151.36049	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	419.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02301	24.3
56.30091	28.5
59.01377	48.6
60.10901	24.4
61.62819	23.6
61.98818	100.0
71.45181	33.1
71.45535	51.9
78.95934	28.5
88.98799	61.4
102.63950	32.0
104.27377	26.1
118.93665	25.2
119.57109	26.8
208.11972	28.3
220.33281	25.5
261.48685	25.3
329.17297	40.3
419.24521	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51390	1.8
57.03438	4.4
59.01376	100.0
61.98827	4.9
63.40060	1.5
69.93024	4.3
71.01376	47.2
72.01693	2.5
72.99328	2.5
83.01362	2.6
85.02953	12.0
87.00870	3.3
89.02441	67.1
95.01378	3.1
96.95985	1.8
99.04475	1.8
101.02436	28.8
108.04511	3.5
109.02886	1.9
112.20486	2.3
113.02430	22.4
119.03496	33.9
122.03687	2.3
125.02444	2.5
131.03442	3.2
143.03500	7.0
146.03746	16.0
149.04536	2.4
150.05624	1.8
151.04004	3.6
152.01207	1.6
155.92270	1.7
160.49911	1.6
161.04532	5.3
161.05980	3.8
164.04823	11.6
179.05574	17.9
179.07097	41.8
180.07497	2.0
182.05807	5.5
197.08186	14.9
215.63872	1.8
257.08029	4.1
359.13431	26.6
360.13690	1.7
419.10779	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	419.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54298	0.4
58.77533	0.4
59.01374	5.6
71.01338	2.3
72.99300	1.0
73.02937	0.8
75.00871	10.6
81.03445	0.7
85.02935	0.7
89.02439	4.1
91.04004	0.6
101.02436	1.3
108.39251	0.4
117.01923	1.1
119.97846	0.5
123.04518	1.3
125.02448	1.1
130.68282	0.4
135.02991	48.8
136.03313	0.8
161.04543	0.7
165.12837	5.2
167.03479	5.1
183.13884	100.0
184.14241	5.4
189.64291	0.5
209.11809	2.9
209.13527	0.4
227.12843	4.9
273.07663	5.1
287.22424	0.5
294.92374	0.4
301.16534	39.2
302.16876	2.1
387.44824	0.5
419.19055	13.6
420.19760	0.7
438.45297	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13310	1.2
57.03450	7.1
58.00573	1.6
59.01377	94.0
60.01745	1.6
60.99298	11.7
61.98830	100.0
71.01380	36.2
71.10856	2.3
72.99298	1.8
73.02941	3.8
83.01378	2.8
85.02943	9.0
87.00878	2.5
88.98803	69.0
89.02444	39.9
89.03008	1.6
89.82361	1.8
90.26823	1.4
95.01382	2.2
99.04527	5.6
101.02435	24.9
111.04526	1.6
113.02441	19.7
119.03513	19.7
125.02451	6.0
137.02434	1.9
143.03511	3.9
149.02419	5.9
149.04503	2.1
156.48219	1.3
161.04538	4.4
164.04797	11.5
167.03552	3.3
179.05618	3.8
179.07120	25.1
183.07018	1.5
197.08270	2.7
230.47197	1.4
239.09317	2.0
267.07242	2.4
359.13455	13.5
419.10898	1.7
419.19894	2.5
439.97168	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1091
Annotation	Eiseniaiodide B
Peak:m/z	Relative Intensity
59.01374	14.0
61.98829	1.3
62.46568	0.7
71.01371	3.3
73.02953	1.9
75.00876	1.1
78.95908	1.2
85.02945	1.3
87.00871	1.4
89.02432	1.7
92.05052	1.7
101.02433	2.8
109.02928	1.4
109.06553	1.2
113.02459	1.5
120.04527	3.9
122.06107	3.2
125.02446	2.8
132.04559	1.5
134.04698	1.4
137.54485	1.0
147.03273	8.8
148.04034	7.1
149.84692	0.7
150.05640	2.0
159.05661	1.1
163.02698	0.8
167.03531	1.4
172.11281	0.8
175.02727	5.5
176.03520	8.9
177.04005	0.8
179.05846	1.8
180.04419	0.8
181.07742	1.0
184.06369	1.9
187.08778	1.4
191.05569	2.4
193.05054	1.3
197.07173	1.1
199.08736	3.5
206.04529	2.4
207.05360	1.3
207.10158	1.6
210.07784	1.5
211.08752	1.8
212.10886	1.6
213.10342	1.5
215.11862	10.6
219.01692	1.1
225.06644	2.5
225.10294	2.2
226.07474	2.0
227.04591	3.0
227.08249	2.4
227.11945	1.0
237.10249	1.7
238.07565	1.8
240.09010	4.8
241.09781	5.8
242.07111	1.0
243.07751	5.8
243.11446	2.7
251.04565	1.1
253.09775	3.4
255.07478	1.1
255.11505	5.2
256.09717	1.9
257.08136	1.3
263.08237	1.0
265.06125	1.1
266.06845	4.2
269.05661	4.3
269.09171	1.7
271.07431	1.3
271.10846	5.9
281.09320	9.3
283.07242	1.6
284.07947	2.1
297.08578	1.7
299.10361	8.9
307.07190	1.6
313.11978	2.5
325.08261	2.7
331.13040	2.7
343.09265	2.3
357.10944	1.8
369.07330	1.6
375.11984	6.0
376.12131	1.0
387.08365	1.6
389.99567	0.8
401.09808	1.6
410.58734	0.9
419.10901	100.0
420.11285	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	419.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17942	0.5
59.01379	17.6
70.71535	0.8
70.71840	1.1
71.01362	2.3
73.02950	0.9
75.00844	0.6
78.95895	0.7
80.05028	0.8
83.01396	0.6
83.05062	0.8
85.02930	1.2
87.00840	0.8
89.02451	1.3
92.05042	2.2
96.96017	0.7
101.02430	1.7
101.78748	0.6
108.02084	0.6
108.04516	1.0
109.02928	1.0
109.06566	0.9
113.02438	1.3
115.00325	0.8
115.35926	0.6
119.03519	0.8
120.04578	3.6
120.05389	0.6
122.06075	2.9
125.02406	2.9
132.04515	1.6
133.01614	0.9
134.04668	0.9
137.02431	0.8
147.03258	11.0
147.04434	0.7
148.04033	7.8
149.04433	0.8
150.05630	1.4
151.03886	0.7
153.26025	0.6
159.05652	0.6
160.04047	0.8
161.04623	1.0
162.05569	0.7
163.07542	0.6
164.03462	1.5
165.01875	0.7
165.42877	0.7
167.03477	1.3
172.11244	1.0
175.02754	4.3
176.03497	10.4
179.05786	1.9
184.06328	1.3
187.08691	1.0
191.05560	1.9
193.05161	0.8
195.06801	0.7
197.07118	0.7
199.04996	0.8
199.08704	4.3
200.10735	0.8
206.04622	3.4
207.05344	1.9
207.10194	2.6
210.07767	1.4
211.08727	2.2
212.05954	0.8
212.10828	1.8
213.10283	1.6
214.07512	0.7
215.11876	11.1
225.06659	3.0
225.10161	2.9
226.07298	1.1
227.04652	3.3
227.08331	3.0
227.11856	1.3
228.06641	0.8
237.06689	0.9
237.10307	2.0
238.07483	2.1
239.08421	1.2
240.09009	3.8
241.09776	6.0
242.06860	0.8
243.07739	5.6
243.11380	2.6
252.05313	0.7
253.09859	4.5
255.07712	1.5
255.11378	4.8
256.09665	2.1
257.08258	1.2
259.10782	0.9
265.06253	1.5
266.06891	5.2
267.07559	1.1
269.05609	3.6
269.08932	1.0
271.07709	1.1
271.10886	4.9
281.09290	9.5
283.07318	1.2
284.07993	2.5
291.47839	0.8
297.08920	1.1
299.10364	9.4
300.10611	1.3
303.09961	1.2
307.07272	0.9
313.11957	3.0
315.09787	1.1
325.08209	2.7
331.12976	2.6
343.09332	2.1
357.10834	2.4
357.93338	0.6
359.08484	0.6
359.17117	1.0
369.07309	1.2
371.11667	0.6
375.11908	5.8
376.64047	0.6
387.08322	2.2
389.17392	0.6
401.04550	0.6
401.09918	2.5
419.10919	100.0
420.11261	10.8
424.10318	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.2
57.70893	0.7
59.01377	30.6
59.65030	0.7
61.98817	2.2
69.40655	5.3
71.01374	4.6
73.02939	3.3
75.00881	1.0
75.24303	0.8
78.95879	1.1
85.02940	2.2
87.00874	0.9
89.02441	2.5
92.05052	2.1
99.04483	1.0
101.02438	3.8
108.43621	0.8
109.02917	2.9
113.02427	1.2
120.01250	1.1
120.04539	3.7
121.02945	1.9
122.06101	3.0
125.02430	2.3
126.88876	0.8
132.04533	1.6
134.04642	1.1
135.04495	3.2
137.02446	1.3
147.03262	10.7
148.04033	8.1
150.05594	2.3
161.04541	1.2
161.22025	0.8
164.03584	1.1
167.03479	1.2
174.05592	0.9
175.02740	5.1
176.03513	10.1
179.05815	2.3
180.04178	0.9
184.06381	1.6
187.08650	1.0
197.11803	1.4
199.08707	3.6
206.04559	2.5
207.05473	0.9
207.10231	2.1
209.11670	1.0
211.08768	1.3
212.04724	2.0
212.10724	2.0
213.10306	1.3
215.11795	10.6
225.06583	2.4
225.10304	3.0
226.07506	1.7
227.04619	2.2
227.08168	2.3
227.11844	1.7
228.10252	1.7
237.06897	1.1
237.10178	2.1
238.07286	2.0
239.08167	1.5
240.08955	5.0
241.09830	6.5
243.07614	4.0
243.11426	2.4
251.12561	0.9
253.09802	3.5
255.07655	1.4
255.11353	4.9
256.09775	1.8
257.08197	8.2
265.06091	1.3
266.06970	4.3
267.07605	1.0
269.05679	4.2
269.09161	2.0
271.07535	1.7
271.10876	7.4
271.15396	1.0
281.09299	13.2
284.07858	2.1
285.08572	1.5
297.08734	1.6
299.10327	9.5
303.13586	1.0
307.07205	1.4
313.11911	2.4
325.08246	3.0
331.03241	0.9
331.12955	1.9
343.09274	3.4
357.10965	2.8
358.11066	0.9
359.16977	2.4
375.11917	5.9
387.08179	1.6
401.09781	1.3
419.10913	100.0
419.18692	3.6
420.11093	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	418.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99089	0.6
53.31575	0.7
58.64143	0.7
59.01374	12.3
60.01698	1.0
61.98831	6.8
69.59010	3.4
70.77855	0.7
71.01376	8.3
82.02978	2.6
82.34514	0.8
85.02949	1.4
85.04066	27.6
86.02448	1.5
87.05634	6.6
88.04036	5.4
89.02446	1.2
99.00891	0.7
101.02412	1.2
102.00178	4.8
105.10178	0.7
109.04074	1.7
110.06045	0.7
112.02768	0.7
113.02428	1.4
113.03565	0.8
114.17883	0.7
119.02834	2.9
123.05651	0.7
127.05130	7.5
128.03535	57.2
129.03879	1.4
135.05605	3.9
139.03418	0.9
145.06160	3.8
152.08313	4.7
153.06688	3.1
157.06172	38.9
158.06566	1.5
159.07719	2.2
161.04579	3.3
162.04820	0.9
166.06233	3.8
167.04677	0.9
174.02266	10.1
178.06178	1.9
179.04559	6.1
184.04805	1.2
184.07251	2.6
191.04970	2.7
196.07251	8.9
197.05618	1.0
214.08250	1.5
237.75848	0.7
242.11595	1.1
248.06984	1.2
268.06848	0.8
268.09259	4.5
286.10406	15.2
302.08136	5.6
320.09180	100.0
321.09589	6.9
358.15619	0.7
376.89310	0.8
418.16739	1.1
419.17242	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.9
57.97513	1.2
59.01379	100.0
60.01691	1.8
61.98830	63.4
69.82673	6.1
71.01064	1.3
71.01385	14.8
72.99306	1.5
73.02937	4.1
75.00864	6.3
80.36527	1.2
82.02986	1.9
83.01383	2.0
85.02946	5.7
85.04079	8.8
87.00871	5.1
87.05609	2.8
88.04026	2.2
88.98771	1.5
89.02436	2.7
96.96014	7.1
97.02993	1.2
98.20545	1.7
99.00879	2.9
101.02433	7.4
102.00207	2.2
109.02919	1.4
113.02421	4.2
115.00366	13.4
125.02422	2.5
127.05132	2.9
128.03539	18.1
132.04556	1.4
134.03696	1.6
135.05573	1.3
151.05103	1.4
157.06177	13.6
159.04509	1.7
160.04053	1.6
161.04541	3.7
162.03217	1.5
167.03400	1.7
174.02383	3.3
175.02509	16.1
175.03973	2.6
177.05479	2.7
179.04556	1.8
191.07079	2.6
192.04175	1.4
192.06667	2.5
195.51048	1.2
196.07185	2.1
203.03392	1.5
204.04286	2.0
207.06544	2.1
207.10225	2.5
209.06670	9.2
219.06627	2.4
221.08215	1.5
228.05383	3.4
235.06061	1.5
236.05548	4.5
238.07494	1.4
241.07146	3.6
243.07660	2.0
247.06065	5.0
251.05632	3.3
253.09990	1.4
256.06952	1.5
256.09729	1.8
266.06918	1.9
269.10303	3.1
281.09222	4.2
286.07440	1.7
286.10461	3.5
291.05096	16.2
299.10416	4.9
302.08340	1.4
311.11203	2.3
320.05850	1.6
320.09183	27.9
321.09454	1.9
323.07660	4.3
343.09360	2.2
351.07391	1.8
365.09134	1.5
418.12930	2.2
419.10544	3.8
419.15536	5.4
419.20145	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01720	1.0
61.98841	0.7
68.41957	0.8
69.59144	0.8
69.73948	3.0
69.74377	1.6
79.95757	0.7
98.19902	1.0
106.58222	0.6
181.11926	0.8
268.74008	0.9
289.05508	2.0
404.61636	0.8
417.21106	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	418.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33232	0.6
53.18548	0.6
56.61401	0.6
59.01377	27.2
61.98829	100.0
69.46198	4.5
71.01395	1.1
72.61587	0.5
73.02948	1.0
85.02950	0.8
89.02467	0.7
101.02465	1.7
113.02531	0.7
139.50522	0.6
161.35052	0.6
179.00003	0.6
264.99692	0.6
269.10251	3.1
281.09500	1.1
419.10901	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.3
57.03447	0.5
58.00584	0.3
59.01376	100.0
60.01712	0.9
61.98826	0.4
69.72095	0.2
71.01379	6.0
72.99297	0.5
73.02942	1.5
75.00862	0.3
83.01379	1.0
85.02946	2.7
87.00894	0.4
89.02453	1.3
95.01406	0.3
99.00893	0.7
101.02443	4.0
107.05070	0.2
108.02171	0.3
110.62289	0.2
113.02462	2.2
119.03514	0.5
128.03561	0.4
129.02010	0.2
138.27643	0.2
143.03508	0.3
157.06236	0.2
159.02995	0.4
161.04535	2.2
167.57957	0.2
191.01912	0.2
213.09190	1.2
215.95192	0.2
227.13033	0.4
284.03198	2.1
285.04050	1.3
320.09210	0.3
328.55286	0.2
341.11511	0.8
357.19449	0.2
375.23877	4.4
376.24338	0.5
385.10208	0.3
417.08090	2.2
417.21365	0.7
419.22562	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
57.03444	0.5
57.74620	0.2
57.81517	0.2
59.01378	100.0
60.01701	1.1
61.98822	0.4
62.62046	0.2
70.87889	0.5
71.01376	6.0
71.05154	0.2
72.99332	0.6
73.02946	2.1
83.01395	0.9
85.02955	2.7
87.00882	0.3
89.02447	2.0
95.01398	0.3
97.02958	0.2
99.00896	0.8
101.02438	4.4
106.04273	0.2
107.05029	0.2
108.02194	0.3
109.03076	0.2
113.02424	2.4
119.03546	0.6
125.02365	0.3
152.01160	0.3
159.02948	0.3
161.04556	2.3
179.05623	0.3
213.05641	0.2
213.09219	2.5
231.14557	0.2
237.14926	0.3
255.16441	0.2
284.03241	2.3
285.03922	1.3
297.48160	0.2
299.23004	0.2
320.14175	0.2
341.11481	0.6
375.23898	4.7
376.24298	0.4
417.08124	2.5
417.12106	0.4
417.21112	0.8
417.25504	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
55.04673	0.5
57.03446	1.2
58.00595	2.5
58.19930	0.4
59.01377	100.0
59.98518	0.7
60.01715	0.9
61.98826	1.7
65.76898	0.5
69.70219	2.3
71.01380	38.6
72.01712	0.5
72.99309	3.5
73.02942	2.7
75.00888	0.7
83.01388	2.6
85.02953	7.9
86.14091	0.5
87.00881	2.0
88.25424	0.5
89.02443	41.6
90.02799	0.6
95.01394	2.2
97.02947	0.6
99.00891	1.4
99.04515	8.8
101.02439	22.9
107.52039	0.5
108.02196	0.8
109.02939	0.6
110.24583	0.6
113.02446	15.9
114.02724	0.5
119.03500	20.0
119.04924	2.8
121.03012	0.5
125.02451	1.7
126.58038	0.5
131.03503	2.4
143.03534	3.4
149.04611	1.5
151.00308	0.6
152.01137	0.6
161.04556	3.2
163.14955	1.8
167.03519	1.1
179.05602	7.3
181.05116	0.7
185.27197	0.5
195.06679	0.6
207.10255	0.6
212.19817	0.5
227.12764	0.8
237.14938	62.7
238.15317	4.1
255.06543	3.7
284.03244	10.1
285.04028	6.2
331.02872	1.0
417.08020	8.9
417.20758	15.7
418.08597	0.8
418.21689	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13204	0.4
55.01880	0.6
55.75210	0.4
57.03454	0.8
58.00591	2.1
58.55835	0.4
59.01375	100.0
59.98514	0.6
60.01722	1.1
63.05227	0.4
63.12445	0.5
71.01378	32.3
71.11831	0.9
72.01720	0.5
72.99306	2.0
73.02950	1.3
75.00877	0.6
83.01424	1.3
85.02940	6.3
85.77353	0.4
87.00890	1.8
89.02438	42.9
95.01376	2.0
96.95985	0.4
99.00805	0.4
99.04514	10.6
101.02438	19.2
113.02440	13.9
114.02795	0.6
119.03493	18.5
125.02481	0.6
131.03491	1.9
143.03494	3.2
149.04573	1.6
151.00404	0.6
161.04564	3.7
163.14896	0.7
179.05597	9.1
180.06023	0.5
181.78238	0.4
186.06119	0.4
237.14937	37.3
238.15318	3.3
267.67224	0.5
269.14023	1.2
284.03262	9.3
284.06100	0.8
285.04001	5.1
286.04620	0.4
375.23947	0.8
386.68790	0.4
417.08215	9.3
417.21240	5.4
418.08447	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98831	47.6
63.06189	15.0
71.01377	19.8
71.53477	14.8
89.02403	13.0
97.93772	13.7
103.28128	12.6
121.80039	16.7
150.12300	15.2
209.33624	14.4
272.55515	14.5
284.03247	59.7
285.03897	30.4
343.24808	25.3
417.08508	38.1
429.07077	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	417.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99755	28.3
59.01378	100.0
61.81532	27.1
61.98818	97.7
62.54585	27.0
66.52658	28.7
70.78067	63.1
117.60247	27.5
148.65593	26.9
284.03317	67.6
285.03900	35.7
417.08081	45.9
427.79437	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	417.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01965	0.2
57.03443	0.7
59.01377	100.0
60.01714	1.1
61.98835	1.2
71.01375	2.0
71.86012	0.3
73.02959	0.5
83.05017	1.3
83.66199	0.3
85.02986	0.8
89.02467	1.2
95.01403	0.3
96.37971	0.3
97.06548	0.3
98.19933	0.6
101.02451	0.8
111.08150	2.7
113.02451	0.9
119.03516	0.3
125.09731	2.9
131.70517	0.3
139.73834	0.3
161.04605	0.5
172.12312	0.3
173.08186	2.0
179.05635	0.5
187.09781	2.3
193.15936	3.9
211.17018	7.2
212.17474	0.4
217.10924	0.3
235.16920	0.4
237.15050	0.9
247.12025	0.4
255.16005	12.6
256.16385	0.9
261.13455	0.5
284.03207	1.5
285.04062	0.8
335.41479	0.3
411.65109	0.3
417.08557	1.7
417.13690	0.8
417.21078	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	417.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92645	14.8
59.01381	100.0
61.98824	78.6
71.53492	21.9
88.96250	18.9
89.23089	20.7
151.03979	17.9
284.03271	47.9
285.04007	27.0
359.70676	19.6
379.71228	20.0
417.08127	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	417.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44331	1.3
53.62045	1.1
57.03451	1.9
59.01377	100.0
61.98829	31.7
68.99561	1.4
70.21648	4.6
71.01394	10.3
71.49138	1.2
73.02936	2.8
83.01395	1.5
85.02956	6.0
89.02428	7.7
95.01394	1.3
96.96023	2.4
101.02454	11.1
107.05026	27.2
109.02982	1.5
110.34000	1.2
113.02446	7.8
119.03477	3.8
125.02419	3.2
137.02480	1.5
152.01164	2.6
152.03482	2.5
161.04599	5.2
165.01904	1.3
209.11815	1.8
255.06638	1.4
284.03375	2.8
285.04150	3.7
305.06317	1.4
311.11713	1.6
320.09091	1.5
331.17676	7.3
373.18896	1.8
417.07870	2.7
417.21118	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	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01716	0.8
69.64250	2.2
71.01385	1.0
72.99310	0.6
73.02969	0.4
74.85753	0.4
83.01414	0.4
96.17345	0.4
99.00885	1.8
101.02451	0.4
112.98822	2.1
115.00378	0.5
119.13333	0.4
120.10000	0.4
142.99846	3.3
149.02252	0.4
173.00926	2.3
174.01686	6.3
193.12326	0.6
208.86562	0.4
211.13393	3.5
223.13383	0.5
255.86098	0.4
263.12909	0.5
267.12418	1.2
279.12119	0.5
284.03256	0.7
305.13943	0.5
307.12003	1.8
349.12988	1.2
367.13953	9.1
368.14438	1.0
417.08759	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	2.7
59.01377	100.0
61.98815	6.6
69.28263	18.6
71.01379	21.5
72.58810	2.0
72.99298	12.7
73.02940	4.6
75.00871	11.9
81.03481	3.3
83.01382	4.1
85.02947	9.4
87.00887	4.7
89.02457	7.9
95.01396	3.6
99.00867	15.4
101.02432	9.0
108.02160	2.7
111.00888	4.1
112.98803	17.4
113.02427	8.5
115.00367	3.7
119.03532	2.9
119.05033	11.9
121.02950	67.6
124.98767	2.7
125.02443	3.8
129.01938	2.5
137.02440	2.4
142.99855	23.8
143.03471	2.8
156.00671	3.2
161.04526	3.7
163.04015	13.5
167.10750	13.6
173.00893	20.9
174.01688	45.3
175.02391	5.6
193.12311	4.6
193.49182	2.0
195.13852	4.6
205.12334	4.8
209.04488	10.0
209.11800	17.7
211.13338	24.4
211.14882	2.4
212.13800	2.2
221.11803	2.4
223.13403	7.6
225.14975	2.0
231.05135	3.1
249.06131	9.6
261.11313	2.4
263.12900	4.7
267.12286	8.4
279.12256	3.7
284.03253	9.5
285.03949	7.8
285.07632	7.9
299.15143	2.2
304.90103	2.0
305.13998	3.1
307.11798	13.0
320.08792	2.6
325.13120	2.8
329.06534	6.4
331.21289	3.6
349.12869	5.7
367.13959	65.2
368.14087	4.8
385.12839	2.9
417.08228	61.9
417.16852	14.0
418.08441	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	417.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.4
57.03448	3.2
59.01379	100.0
59.52759	1.1
60.99285	2.2
61.98835	6.9
69.42340	2.7
69.42756	5.6
71.01376	43.4
73.02946	13.0
73.85449	1.0
75.00864	1.4
83.01393	4.6
85.02951	16.3
85.04084	3.4
87.00888	2.0
88.04056	2.7
88.98805	15.5
89.02425	8.6
95.01400	4.0
98.19864	2.1
99.00875	5.2
101.02435	24.8
102.00191	1.9
108.02113	1.3
108.04554	3.5
113.02456	15.7
114.02707	1.4
123.05677	1.5
125.02426	2.7
126.05550	1.4
128.03526	2.3
129.01932	1.4
137.02458	2.6
141.06673	1.4
143.03508	3.5
149.06088	1.1
151.04025	2.0
151.05122	8.1
152.01164	1.6
153.03101	1.7
157.06230	3.8
159.03033	5.4
161.04547	52.4
165.01886	2.0
165.09204	10.4
166.02679	1.5
167.04716	1.3
169.06186	5.0
170.58989	1.1
174.02296	2.4
180.07828	1.5
180.24016	1.1
195.10381	1.2
209.06622	1.7
223.07181	1.3
257.05893	1.4
267.06113	2.1
273.05902	1.3
285.07190	2.2
319.06006	10.4
320.09155	3.2
329.82404	1.2
352.46729	1.3
357.15549	31.9
358.15823	3.3
417.12961	3.7
417.17572	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	417.0822
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
59.01369	0.6
63.02401	0.9
65.00320	0.4
69.37863	2.2
72.54258	0.3
83.01385	0.9
98.20650	0.5
101.60865	0.2
107.01385	2.6
121.02974	0.4
132.02156	0.3
133.02951	3.6
134.03754	1.5
137.02409	0.4
148.01662	0.7
149.02426	0.8
149.06041	0.7
149.99556	0.6
151.00348	5.2
166.02682	0.9
170.65956	0.3
171.04359	0.3
175.03960	1.1
181.05045	1.2
187.03889	0.4
188.04729	0.5
198.03270	0.3
199.03957	1.3
200.04781	0.8
201.01860	0.3
211.04021	1.4
212.04733	0.6
213.05463	0.5
214.02731	0.3
215.03387	0.3
217.04973	0.8
227.03496	1.8
228.04077	0.5
239.03471	0.7
240.04274	0.3
241.05135	0.6
243.02910	0.4
255.02960	1.0
255.10217	0.7
256.03775	5.2
257.04147	0.4
276.83011	0.3
283.02472	1.2
284.03232	98.6
285.03967	56.9
286.04373	3.3
297.03857	0.3
327.05048	1.0
387.10904	0.4
417.08221	100.0
418.08591	9.2
426.11386	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.3
57.03439	0.6
58.00583	0.5
59.01378	100.0
60.01702	1.2
61.98832	0.3
70.71822	0.2
70.72137	0.3
71.01379	10.9
71.05012	0.4
72.99313	0.5
73.02943	3.2
75.00852	0.2
76.64613	0.2
83.01388	1.3
85.02948	3.3
87.00895	0.5
89.02444	7.2
95.01402	0.8
99.00893	0.6
101.02437	6.7
113.02448	4.6
119.03506	2.8
119.13004	0.2
125.02386	0.3
127.81771	0.2
129.01891	0.2
136.92923	0.2
137.09723	0.3
143.03497	0.6
159.02989	0.4
161.04533	3.0
179.05635	0.4
204.37141	0.2
211.17041	0.8
293.45352	0.2
355.21298	1.1
373.22281	11.6
374.22617	1.3
399.28278	0.2
404.82715	0.2
415.23511	1.4
416.24481	0.2
431.98087	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13554	2.0
59.01375	100.0
61.98823	1.9
71.52611	3.1
71.52988	1.8
71.90888	1.9
101.36802	2.0
104.37473	1.7
220.31334	2.2
258.88803	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	415.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38186	0.8
59.01379	100.0
61.98835	0.9
68.04174	0.7
70.37149	2.7
78.49322	0.9
92.03853	0.9
107.18274	0.7
215.45285	0.8
254.58421	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.0
61.98826	100.0
71.01381	1.5
71.52503	0.5
71.89661	0.3
72.00915	1.4
72.99321	0.4
75.00876	0.4
79.95759	0.4
85.02949	1.9
88.04041	1.0
89.02446	0.7
95.01424	0.5
96.96024	1.4
96.96970	0.6
101.02447	0.5
108.02162	4.9
109.02950	2.1
146.08250	0.8
147.04501	4.9
150.94197	0.4
151.03976	0.5
152.01137	9.3
153.01913	0.5
164.07158	14.7
165.07649	0.6
193.05098	0.4
205.03680	0.6
218.10287	1.2
356.15146	0.5
380.15717	0.8
417.10345	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	415.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
57.03439	1.0
59.01377	100.0
60.01712	1.0
62.79192	0.4
66.16633	0.4
71.01376	7.3
71.54226	0.4
73.02950	2.9
75.00890	0.5
78.07352	0.4
83.01398	1.8
85.02941	3.4
89.02441	3.5
93.67971	0.4
99.00887	0.7
101.02427	4.8
113.02444	3.7
119.03495	1.6
121.02941	2.8
123.04557	0.5
125.02431	2.1
135.04544	1.6
147.04498	0.4
148.04097	0.8
149.06107	1.4
150.05672	0.6
161.04579	1.8
166.05083	0.5
179.05710	0.5
217.13599	0.4
234.67390	0.4
271.09726	4.0
273.12354	0.5
295.52094	0.4
335.51950	0.4
373.22305	4.2
415.14304	0.8
415.18475	1.9
415.24088	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95817	0.8
59.01366	2.4
62.92552	0.8
68.50698	0.9
74.99097	5.9
77.00665	72.3
105.45072	0.8
106.78085	0.8
143.47922	0.8
147.08167	2.0
149.09656	2.0
161.09727	1.5
163.11259	1.7
187.11266	2.4
279.13943	1.7
280.14584	2.2
309.22284	2.1
337.21722	100.0
338.21973	10.9
415.23080	17.3
416.23404	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00608	0.9
59.01377	100.0
60.01698	1.2
60.53508	0.8
71.01379	14.3
71.30121	1.3
73.02948	20.9
83.01369	5.6
84.50718	0.7
85.02940	2.2
86.07320	0.9
86.39072	0.8
89.02463	6.0
101.02437	17.9
102.02789	0.9
104.41536	0.9
113.02445	6.4
119.03475	2.1
152.01157	2.1
161.04512	2.4
164.31845	0.8
181.01390	3.7
195.02884	1.4
196.03761	1.6
211.06061	4.2
217.02109	0.9
290.84985	0.9
303.02228	0.9
415.12201	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03440	1.9
58.00585	2.3
59.01376	100.0
59.60569	0.7
59.98500	1.1
60.01711	1.6
61.98828	1.7
69.57098	5.2
71.01379	41.3
72.09824	0.7
72.99296	3.8
73.02940	2.6
75.00862	1.3
83.01385	2.7
83.04989	1.3
83.10744	0.9
84.40414	0.7
85.02929	10.4
87.00882	1.0
89.02438	46.5
94.07374	0.9
95.01375	3.4
97.02861	1.1
98.20624	1.6
99.04513	20.0
99.47680	0.8
101.02435	23.9
105.51667	0.7
107.05003	1.1
111.00999	1.1
111.04528	1.4
113.01641	0.9
113.02441	14.7
113.57710	0.8
114.02767	1.0
119.03502	19.8
125.02442	1.8
131.03456	2.2
135.08148	1.3
143.03499	2.7
149.04576	1.7
151.03893	0.9
161.04532	3.0
161.13327	1.8
163.03955	1.6
165.03954	1.9
173.13368	2.5
178.06288	1.2
179.05627	7.5
179.14395	2.2
191.14456	2.5
193.08725	2.2
205.12335	1.3
217.12408	1.5
221.21309	0.8
223.13329	2.0
235.13367	93.0
236.13721	6.9
281.13727	1.0
325.13074	1.7
415.10785	1.0
415.15506	2.5
415.20016	7.3
416.20074	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40418	0.5
57.03445	12.8
59.01375	100.0
60.01709	1.0
69.52912	3.5
71.01376	4.1
73.02945	1.4
75.21204	0.5
81.03471	0.5
83.01423	0.7
83.55646	0.5
85.02961	1.4
91.92575	0.6
101.02435	2.0
103.47153	0.5
105.73988	0.5
113.02479	2.0
117.28005	0.5
121.02921	1.2
123.04552	1.6
139.41437	0.6
148.57182	0.5
149.42101	0.5
159.03011	0.6
161.04520	5.2
163.03648	0.5
167.03476	5.4
178.06294	3.3
193.08679	25.9
194.09082	1.7
209.21423	0.6
309.80670	0.6
334.04370	0.5
386.71710	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09609	0.9
57.03455	2.1
58.00581	3.3
59.01378	100.0
61.98823	1.9
67.05518	1.7
69.03451	1.1
71.01382	34.6
71.30344	1.8
72.99311	2.3
73.02940	2.0
75.00868	2.1
83.01385	1.7
84.02158	1.0
85.02963	8.0
87.00888	1.6
89.02445	45.2
89.05471	1.0
93.03455	1.8
95.01393	3.6
95.27372	1.0
97.06604	1.4
101.02441	22.9
107.08664	5.1
109.02972	1.0
113.02442	14.4
117.07096	1.0
119.03490	19.2
125.02464	2.0
127.23021	1.0
131.03493	2.0
135.11774	1.3
137.09679	0.9
143.03529	1.6
149.04552	1.4
151.04025	6.5
159.11719	1.4
161.04576	2.5
161.13358	17.7
173.13341	11.0
174.13715	1.1
179.05573	4.6
191.05571	1.3
191.14415	4.1
205.12320	2.4
209.06613	2.8
217.12361	2.2
235.13383	74.1
236.13754	6.0
253.14423	2.7
253.78560	1.0
298.74805	1.2
319.41504	1.1
415.14630	2.2
415.19736	29.1
416.19916	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	415.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.0
59.01381	11.5
61.98829	6.1
71.01390	4.2
71.53290	1.0
72.99304	2.2
73.02937	2.2
75.00857	1.2
83.01412	1.8
85.02952	10.2
86.36126	0.7
87.00874	1.9
88.98772	3.8
89.02422	2.8
93.03463	1.5
96.95979	1.1
101.02452	2.1
108.02170	1.7
109.02953	3.5
110.03072	0.8
111.00878	1.0
113.02441	1.6
119.03488	0.8
121.02949	2.1
123.04504	1.3
124.01692	1.1
129.01871	1.2
134.03741	57.2
135.04111	2.3
137.02490	4.0
139.04051	0.9
147.02998	1.1
149.02383	0.9
149.06084	20.0
150.03244	1.4
150.06442	1.2
151.03989	2.6
165.01929	1.6
165.05557	1.4
167.03503	4.8
178.02704	18.1
179.03011	0.9
179.07156	1.3
191.01997	1.9
191.05644	0.8
193.05045	100.0
194.05339	4.3
205.03482	1.3
209.02905	0.9
209.04677	1.5
223.04581	3.4
235.06038	1.0
249.06148	2.1
253.07126	1.0
253.11914	0.9
279.08878	1.4
355.10538	3.0
405.41901	0.7
415.12335	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	415.1396
Annotation	(-)-Podorhizol
Peak:m/z	Relative Intensity
59.01379	11.4
61.98803	0.6
70.38977	0.4
70.39364	0.3
71.01384	1.0
83.01373	0.2
85.02953	0.3
87.00888	0.2
89.02451	0.3
93.03459	0.9
98.20605	0.2
101.02440	0.8
105.01936	0.8
109.02941	0.5
113.02451	0.3
117.03436	0.4
121.02919	0.2
123.04510	0.5
135.04501	0.6
138.33200	0.2
149.06104	0.3
156.29721	0.2
161.04590	0.3
167.08690	0.2
169.06509	0.3
183.08087	0.5
184.05107	0.2
191.13911	0.2
200.90800	0.2
209.06091	0.6
210.06856	11.2
211.07625	100.0
212.07967	6.9
212.10025	0.3
271.09775	0.9
310.73969	0.2
327.21783	0.4
355.11954	0.9
415.14404	0.4
415.23590	0.4
435.90408	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76780	0.8
59.01378	100.0
70.83312	0.9
70.83664	1.5
97.02949	0.8
104.34370	0.7
150.99248	0.9
163.32607	0.8
164.93031	0.7
195.07149	0.8
225.43936	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
59.01376	2.4
61.98829	100.0
69.69176	0.2
71.01389	0.6
71.53464	0.2
81.03490	0.7
83.01418	0.2
85.02950	0.3
87.00365	0.2
89.02442	0.2
99.04544	0.2
101.02427	0.4
113.02496	0.2
118.64194	0.2
123.04527	2.9
124.70435	0.2
125.02415	0.5
138.03261	0.2
153.05618	0.5
164.04858	0.3
167.03490	8.2
172.15747	0.2
179.07057	0.2
181.05089	0.4
181.53862	0.2
191.03479	2.0
209.04625	0.6
211.16411	0.2
235.21831	0.2
333.06216	0.4
351.07297	0.2
371.09824	0.9
439.48959	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.9
60.01714	0.5
61.98830	100.0
66.74087	0.5
71.01385	1.5
71.53848	0.6
85.02944	0.6
89.02458	0.9
101.02452	0.7
150.01419	0.5
160.17992	0.6
163.08871	0.5
165.12933	0.8
176.32498	0.5
196.70132	0.4
209.11896	1.1
219.13855	0.7
226.45842	0.5
253.10916	1.5
263.12909	0.7
268.03696	5.9
283.06140	6.7
291.12415	0.9
318.27658	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86963	0.3
57.03446	0.5
59.01378	100.0
60.01724	1.0
61.98830	22.0
62.98549	0.7
62.99236	0.3
63.99263	0.4
65.11554	0.2
71.01379	3.8
71.53823	0.5
73.02945	1.2
79.64116	0.3
83.01388	0.7
85.02961	1.1
87.00918	0.4
89.02445	1.7
99.00885	0.4
101.02432	2.0
102.91083	0.3
113.02435	1.5
113.35857	0.3
119.03497	0.9
127.90211	0.3
135.04539	0.5
140.67110	0.3
152.01067	0.3
161.04604	0.6
162.40143	0.3
165.09282	0.5
165.40637	0.3
190.90210	0.4
209.08171	0.9
209.15596	0.3
252.08406	0.3
264.15280	0.3
276.45386	0.3
292.10175	0.3
292.88995	0.3
313.26984	0.3
371.20715	1.6
405.12402	0.3
413.22290	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01717	0.9
61.98840	0.5
62.43470	0.3
62.52888	0.4
63.16022	0.5
70.75016	1.1
84.90583	0.3
112.11567	0.4
158.74878	0.4
262.86804	0.4
328.12051	0.4
359.88788	0.4
413.31390	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.5
57.03442	1.8
57.80055	1.1
59.01377	65.6
61.98831	1.5
70.52219	3.2
71.01380	22.5
73.02950	12.2
83.01395	9.3
85.02939	14.9
87.00864	1.8
88.98808	6.3
89.02453	4.3
89.24708	1.2
90.95300	1.0
94.08397	1.0
95.01382	1.4
95.59827	1.0
99.00889	5.2
101.01798	2.3
101.02436	37.0
103.04039	1.1
113.02451	10.6
125.02420	1.5
129.01918	1.3
136.03957	1.4
148.38449	1.2
159.03000	2.3
161.04509	11.0
165.05664	1.5
194.28754	1.1
196.66635	1.2
207.08737	87.6
208.09099	3.1
208.26212	1.4
216.06642	1.1
221.89458	1.2
224.75653	1.2
235.95770	1.2
258.12195	1.0
346.17181	1.3
353.14493	100.0
354.14798	6.8
423.79962	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24132	0.8
55.01883	1.3
56.98825	0.7
57.03434	2.5
59.01378	27.3
61.98829	12.5
67.01894	1.2
68.99823	1.4
69.03449	1.2
71.01382	20.2
72.99294	3.4
73.02938	2.5
75.00867	13.0
82.02934	0.9
85.02946	20.3
87.00876	10.2
88.98806	6.5
89.02438	7.4
93.95245	0.9
95.01367	3.8
99.00883	11.0
101.02400	1.1
103.00343	1.4
111.00880	1.3
113.02447	28.2
115.00343	1.4
117.01930	2.1
117.03414	3.2
119.05022	38.8
120.05300	1.3
125.02443	0.9
125.73021	1.0
129.01927	1.4
131.05066	1.2
145.02951	16.7
149.06046	2.3
157.01416	1.3
157.13704	1.0
163.04002	37.0
164.04327	1.7
175.02373	2.3
209.08192	1.6
215.02844	1.0
237.07582	3.8
249.06136	21.0
250.06500	1.0
267.07187	100.0
268.07535	5.0
308.65646	0.9
329.41852	1.1
382.56229	1.1
402.24728	0.8
413.10791	44.0
414.10904	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	413.145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43454	2.4
52.48307	2.3
55.01882	3.3
57.03432	4.3
59.01379	80.9
59.52063	2.3
61.98815	8.4
66.51387	2.1
71.01379	23.4
71.53785	2.2
72.99321	2.6
73.02943	7.3
83.01369	9.7
85.02949	18.9
89.02442	5.3
95.01377	3.4
101.02450	21.3
106.04250	3.0
111.00882	3.6
112.01695	2.9
113.02457	12.7
118.21161	2.3
125.02455	2.8
134.03712	2.9
155.65944	2.4
161.04517	3.4
165.09212	67.9
166.09538	3.1
193.05008	3.6
309.13425	100.0
310.13776	10.2
327.14490	75.6
328.14688	6.2
369.15591	17.4
399.40237	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	412.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84352	0.4
59.01374	2.4
61.01793	0.4
61.98828	100.0
70.93288	0.9
71.01385	0.8
72.07687	0.4
85.02952	0.7
88.04019	0.5
88.98788	1.1
89.02459	0.8
95.97336	0.3
96.96014	0.5
97.13068	0.4
113.02483	0.4
136.33316	0.5
161.08162	0.6
188.89482	0.4
250.06631	0.5
297.81650	0.4
328.24380	0.4
412.15991	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21610	0.2
59.01376	10.8
61.98826	100.0
65.71097	0.3
71.01382	0.8
73.02969	0.3
83.01393	0.4
85.02978	0.6
89.02428	0.3
92.89300	0.3
96.96014	0.4
101.02464	0.4
108.02177	0.4
152.01147	0.7
162.02353	0.3
166.81036	0.3
185.99905	0.3
186.95421	0.3
197.10083	0.4
239.10977	0.4
240.87425	0.3
261.24130	0.3
271.15192	0.3
335.43668	0.3
413.22510	0.4
430.88873	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.6
58.00597	1.6
59.01376	24.8
59.76747	0.8
61.98827	20.0
67.01884	1.0
68.99818	0.9
69.03432	1.1
69.14783	0.9
69.34859	6.8
71.01380	25.6
72.99299	4.4
73.02947	1.7
75.00478	1.1
75.00872	15.4
81.82987	0.8
83.01362	1.3
85.02947	27.8
87.00877	13.6
89.02432	8.5
91.04000	1.4
93.03482	1.0
95.01406	4.6
99.00882	9.8
101.02415	2.6
103.00340	2.5
111.00864	1.1
113.02446	33.3
115.00354	2.0
117.01934	2.7
117.03452	3.4
119.05019	42.3
120.05318	1.6
125.02412	3.1
126.01993	1.4
129.01935	3.4
131.03441	1.6
134.03688	1.0
145.02946	20.5
146.03329	1.1
146.55789	0.9
147.02989	2.8
155.02219	1.0
161.04544	1.5
163.04001	37.4
164.04358	1.8
175.02489	2.4
176.25914	0.9
185.73412	1.0
191.03433	6.3
193.05020	1.6
207.04971	1.7
231.04918	1.0
235.14006	0.9
237.07697	4.4
249.06113	20.9
267.07199	100.0
268.07623	4.7
285.13651	0.9
353.08728	2.0
395.09540	1.2
413.10803	65.6
414.10983	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	410.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01069	0.6
59.01375	16.4
61.98825	100.0
71.01369	2.3
72.99302	0.4
73.02943	3.3
76.48043	0.3
79.47645	0.4
82.63480	0.4
83.01405	0.9
85.92075	0.3
89.02460	1.2
91.27643	0.4
98.19884	1.0
101.02436	4.8
113.02422	1.2
119.03522	0.6
124.73841	0.3
128.86967	0.4
131.03464	0.4
138.40579	0.3
149.04550	1.0
150.13597	0.4
161.04564	1.8
229.52919	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69740	0.8
57.01718	0.7
59.01377	100.0
66.72776	0.6
69.22895	1.7
69.23299	5.8
71.85870	0.8
96.05146	0.7
172.85826	0.8
194.39780	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01697	0.9
61.39864	0.8
71.01041	1.2
71.01385	1.1
74.02502	0.8
98.20759	0.9
328.25952	1.0
411.68338	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01702	1.0
61.98829	4.6
62.44524	0.5
70.66361	0.5
70.66705	1.4
71.01375	8.4
72.23250	0.5
72.73284	0.4
73.02949	2.4
74.40910	0.6
75.00867	1.1
78.91883	0.5
83.01408	1.1
85.02962	3.7
89.02426	5.7
96.96029	0.9
97.06564	1.0
98.95594	0.5
99.00912	1.1
101.02448	6.5
107.05032	1.4
113.02454	5.0
119.03519	1.9
125.02426	3.5
134.03716	1.2
135.04517	5.0
143.03520	0.8
159.02997	0.7
159.06560	0.9
161.04538	8.3
165.01945	1.5
165.05606	1.9
179.05588	1.5
180.04366	0.9
187.13426	0.7
195.06628	2.4
211.06229	0.5
249.06296	0.8
349.18634	23.2
350.19052	2.4
361.13049	1.7
393.17792	2.0
408.97760	1.0
409.13531	1.6
409.20767	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
59.01376	100.0
60.01700	1.1
61.98826	75.9
69.71223	2.2
71.01381	5.3
73.02943	2.7
83.01397	0.9
85.02942	1.5
89.02439	4.3
98.20595	0.4
101.02439	4.7
102.46746	0.5
113.02431	2.5
119.03425	1.1
143.03401	0.6
149.04489	0.8
161.04562	2.7
179.05540	0.6
187.13246	0.5
212.98506	0.4
247.09627	1.1
289.16412	0.9
307.17590	3.0
349.18631	2.8
409.19293	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86439	0.9
55.01885	1.2
57.03422	1.5
59.01378	100.0
61.98831	9.6
62.72573	1.2
69.61925	5.2
71.01382	32.8
72.99310	1.1
73.02944	10.8
73.07082	1.1
83.01400	4.0
85.02956	13.0
87.00874	6.0
89.02443	13.4
95.01372	2.2
95.27760	1.0
99.00877	3.2
101.02439	17.1
113.02444	14.1
119.03503	4.7
123.46141	1.0
125.02390	1.3
141.09206	5.5
143.10750	1.6
159.02969	2.9
161.04561	18.8
184.45662	0.9
187.11273	1.0
187.13354	1.7
192.29254	0.9
218.39824	1.0
259.15424	1.4
275.69693	1.1
300.33850	1.0
303.02158	0.9
307.17532	2.6
349.18674	47.9
350.18970	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	409.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
58.00591	0.9
59.01377	100.0
60.01714	1.7
61.98832	4.0
71.01379	21.1
71.29290	1.0
72.99310	1.4
73.02946	2.3
75.00861	0.8
78.91895	1.7
83.64468	0.8
85.02951	4.7
87.00868	2.0
89.02443	25.2
90.02789	0.7
95.01398	1.4
99.00887	1.0
99.04532	1.1
101.02438	12.7
113.02440	9.9
119.03499	12.9
122.06107	0.8
131.03499	2.1
135.04546	1.3
143.03526	3.1
143.88918	0.7
144.04596	0.9
145.08704	1.2
149.04578	1.3
159.03053	1.0
160.04028	3.6
161.04523	10.9
179.05585	9.9
187.13470	1.8
194.50459	0.7
195.06538	0.9
209.15463	0.7
214.61617	0.6
230.96608	0.7
252.47173	0.7
285.12656	0.8
294.47324	0.8
349.18665	19.5
350.19083	1.3
365.10568	0.9
380.13641	0.7
409.21011	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	409.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.4
59.01376	25.3
61.98825	3.7
64.22955	0.9
69.90215	4.6
71.01376	15.6
71.65487	0.9
72.99294	1.1
75.00867	1.5
83.07660	0.9
85.02966	4.4
87.00867	0.9
88.04037	46.1
89.02458	1.9
93.03487	1.3
96.96013	3.2
97.02975	0.9
98.19981	1.3
98.30006	0.9
98.95621	1.8
101.02441	3.1
102.05617	5.4
113.02401	2.3
115.92080	2.2
130.64613	0.8
132.06665	45.7
133.06949	0.9
161.04568	2.2
183.30034	0.9
191.05609	9.3
204.08754	100.0
205.09175	4.6
218.10371	1.3
249.06075	1.5
253.02446	1.2
267.07278	1.1
349.18741	3.5
409.13254	1.4
410.13504	1.0
424.49213	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30268	7.0
59.01379	100.0
61.98812	26.2
69.44994	48.3
70.00713	6.3
71.01391	6.4
95.55929	6.1
97.22245	7.2
107.02485	6.4
114.07278	7.0
139.89604	6.5
206.13727	7.0
349.18716	8.1
409.19699	19.0
429.76193	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	409.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82471	0.5
59.01377	100.0
60.01709	1.0
69.03941	0.5
69.14495	0.5
69.37006	4.3
71.01377	9.2
73.02955	1.7
83.01396	0.9
85.02957	2.8
89.02437	6.2
99.00878	0.6
101.02430	6.0
113.02429	4.5
119.03503	3.1
131.03487	0.6
143.03474	1.2
159.03017	0.7
161.04547	10.5
172.74396	0.5
179.05661	2.0
221.91541	0.7
297.40308	0.5
349.18640	22.4
350.19107	1.7
409.21158	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01717	1.1
61.98831	3.9
70.23736	0.4
71.01375	2.5
85.02943	0.5
98.19910	0.8
101.02457	1.1
105.65643	0.5
131.07158	1.7
145.81374	0.4
161.04607	0.4
177.96648	0.4
185.08270	0.6
203.10704	0.5
205.12320	4.8
253.37631	0.4
275.11429	1.0
312.54544	0.5
349.18781	0.4
354.51413	0.4
409.20328	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46260	1.3
57.03158	2.6
57.03446	76.3
59.01377	100.0
60.01693	1.6
61.98823	8.7
64.01498	1.2
69.43669	4.6
69.44081	4.0
71.01379	28.8
73.02942	9.9
75.00868	1.5
77.86230	1.3
81.03467	1.2
83.01371	5.8
85.02939	14.5
87.04502	2.1
87.54686	1.2
89.02420	6.8
95.01357	2.3
99.00863	3.1
99.04514	64.1
101.02435	39.9
102.02801	1.7
113.02438	12.4
119.03484	2.4
125.02445	29.7
143.03508	2.8
159.02962	3.7
161.04530	15.0
161.20847	1.3
206.24901	1.3
232.48753	1.1
247.11887	4.6
265.10037	2.8
265.12885	51.6
266.13187	2.8
272.80383	1.2
289.10980	2.8
296.90701	1.4
307.13959	12.5
315.08865	4.6
333.10123	2.3
347.17017	2.3
349.18671	2.0
409.11523	3.9
409.17047	15.2
409.28085	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	407.192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12196	0.4
57.03432	0.7
59.01377	100.0
60.01702	1.1
61.98844	0.5
71.01379	3.8
73.02941	2.3
76.95576	0.4
83.01389	0.7
85.02950	1.6
87.00891	0.4
88.19685	0.4
89.02449	3.5
93.55554	0.4
101.02434	4.1
104.59328	0.4
113.02453	2.0
118.74950	0.4
119.03509	1.8
126.92023	0.4
131.18794	0.4
157.08777	0.7
159.10437	0.4
161.04585	1.2
171.10324	1.4
179.05673	0.6
209.11752	0.6
227.12904	2.2
231.07692	0.5
243.04019	0.6
245.14093	0.4
259.07227	1.5
271.07202	0.7
285.04156	0.6
287.10400	2.0
305.15521	0.4
313.08231	2.9
331.09457	1.7
347.17044	2.0
407.11206	2.2
407.19086	4.4
407.26749	0.6
408.19678	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03442	1.4
58.00592	4.2
58.02963	1.2
59.01377	100.0
60.01701	1.2
61.98836	1.7
69.03443	0.2
69.90796	0.5
69.91183	0.6
70.23822	0.2
71.01379	63.5
72.01713	1.1
72.99305	4.8
73.02946	3.0
73.37760	0.3
74.02470	0.6
75.00875	0.7
78.95914	0.3
79.55808	0.3
81.03442	0.4
83.01385	2.6
84.02188	0.3
85.02946	13.4
86.03297	0.3
87.00874	3.8
87.04518	0.5
89.02442	77.3
90.02780	1.4
91.02907	0.3
91.91846	0.3
95.01382	4.2
97.02951	0.3
98.20522	0.3
99.00872	1.1
99.04494	0.4
101.02438	35.6
101.94945	0.3
102.02811	0.7
113.02444	26.3
114.02789	0.8
116.05024	1.2
117.85583	0.2
119.03497	34.8
119.27997	0.3
120.03856	0.8
120.05802	0.3
121.02996	0.4
125.02445	0.8
131.03516	3.3
134.03700	0.3
135.08141	0.8
136.01659	0.8
141.09277	0.3
143.03500	6.5
143.07089	0.4
148.01628	0.5
149.02495	0.7
149.04553	2.8
149.05769	0.4
149.09705	0.5
150.03210	1.7
151.04002	1.1
153.05539	0.6
153.09230	3.9
155.51549	0.3
157.08705	0.7
158.06076	0.4
159.03215	1.3
159.10277	0.5
160.04033	5.8
161.04547	10.8
163.04044	0.8
165.05562	1.6
179.05603	15.6
180.05890	0.5
181.05069	1.0
185.08206	0.4
186.05634	0.3
195.06651	1.1
201.10349	2.5
203.08284	1.9
211.06105	1.3
211.13422	0.4
226.73341	0.2
227.12662	0.2
233.46504	0.2
235.11861	0.5
245.09264	0.5
245.17580	6.0
246.17941	0.4
247.88960	0.2
249.06181	0.4
257.13409	0.2
267.07306	0.4
300.15421	0.4
329.10233	0.4
347.17133	2.3
364.10406	1.0
365.13617	1.2
373.18686	0.5
384.38321	0.3
407.14835	6.8
407.22900	28.5
408.14957	0.6
408.23199	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95015	5.9
59.01377	100.0
61.98827	36.7
62.43022	6.4
69.15149	5.5
69.27196	52.8
71.01376	14.3
75.00869	7.6
75.71101	6.8
85.02942	9.0
89.02439	17.3
101.02438	9.6
108.02145	10.3
113.02449	12.4
115.11488	6.4
149.88510	7.5
150.55573	6.6
152.01128	26.8
152.05772	6.1
179.03841	21.1
185.11731	8.8
196.95518	7.4
209.11754	15.8
333.10913	21.2
333.60965	8.7
407.18057	18.1
408.02319	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	407.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79361	0.4
57.03442	2.1
58.00593	1.1
59.01376	100.0
60.01718	0.9
60.49890	0.4
61.87400	0.4
61.98822	0.5
70.33845	0.9
70.34204	0.8
71.01376	7.8
72.17023	0.4
72.99309	0.7
73.02938	2.0
75.00878	1.5
82.02987	0.8
83.01390	0.8
85.02943	3.3
87.00879	0.8
89.02448	4.5
95.01405	1.0
95.05048	0.6
99.00914	1.0
101.02427	4.9
101.03027	0.5
101.51396	0.5
104.77099	0.5
109.06595	0.6
113.02461	3.9
113.06091	1.5
115.04008	0.6
119.03529	2.3
119.05040	0.7
129.07277	0.4
143.10730	0.5
147.11812	0.6
157.08704	2.8
161.04597	1.5
165.12836	0.7
167.10875	0.4
171.10243	2.5
179.05673	0.8
185.11914	0.8
198.42886	0.4
209.11830	0.6
217.02765	0.5
217.06111	0.6
227.12888	5.0
229.06245	0.6
230.03278	0.4
231.07784	0.8
243.04198	0.8
244.04828	0.8
249.06198	1.5
253.09341	0.6
257.05634	0.5
259.07211	2.1
267.07281	0.6
271.07397	1.3
285.04089	2.3
287.10406	3.0
305.16278	1.2
313.08276	3.3
331.09268	2.8
345.10980	0.5
347.17157	3.1
375.08112	0.9
380.35492	0.4
407.06461	0.8
407.10953	3.0
407.15378	2.4
407.19675	8.7
407.27020	2.3
408.19824	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.8
59.01377	10.4
61.98829	2.0
63.76751	0.6
69.03461	0.8
71.01387	2.5
73.02937	0.8
75.00858	0.8
79.95733	28.7
80.96529	3.6
81.60297	0.7
85.02956	3.4
89.02463	1.2
95.95216	5.2
96.96008	100.0
97.06564	0.7
101.02441	0.6
110.94418	0.6
113.02441	0.9
164.98665	1.0
171.10246	6.7
172.21758	0.7
195.13914	1.3
200.25362	0.6
201.11200	1.0
209.11859	0.7
211.13417	4.2
221.11818	1.1
229.14407	9.3
235.06407	2.3
239.12964	1.3
264.38858	0.6
291.19690	1.1
326.29510	0.8
327.21844	8.8
328.22345	0.8
407.17404	99.0
408.17685	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	407.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	44.8
71.01379	7.2
71.08275	2.9
73.02929	2.7
82.02991	12.2
83.01392	1.4
83.06457	1.3
89.02453	4.3
99.00867	1.5
101.02433	5.5
104.99952	1.2
113.02432	2.0
114.46850	1.4
119.03482	2.0
127.67765	1.3
132.37154	1.4
146.43839	1.3
152.01135	3.0
158.06285	1.2
160.07678	2.0
162.04318	2.5
164.03514	4.8
167.03413	3.0
171.10237	4.4
172.07726	2.3
174.05588	3.4
179.03465	3.9
185.11787	2.8
186.05553	3.6
188.07161	3.6
189.03026	1.9
190.76917	1.3
191.04684	2.5
202.08736	2.8
204.05090	1.8
215.04477	1.6
215.08322	1.6
216.05299	4.2
216.06914	2.9
216.10153	1.4
217.02496	6.5
217.06035	6.5
218.06863	2.3
227.03932	2.1
228.06784	1.9
229.05988	10.3
230.03250	3.5
230.06941	3.1
231.07735	12.5
232.08522	4.2
241.06180	3.8
242.03354	3.6
242.08324	2.0
243.04097	20.0
243.07780	4.7
244.04813	14.5
244.09785	11.8
245.09273	6.0
248.09203	3.7
249.05334	1.8
254.06946	1.6
256.04916	4.9
257.05692	20.1
257.09335	2.8
258.06500	7.0
259.07214	45.5
259.10794	7.1
266.06693	1.5
269.09323	1.8
271.07205	24.7
272.07663	2.2
285.05621	1.4
285.08859	4.2
287.10355	72.1
288.08151	6.0
291.09912	9.8
292.09943	2.4
298.05914	2.5
300.69986	1.5
302.05298	2.3
303.09976	1.7
313.08286	100.0
314.08713	8.6
317.07739	1.7
331.09302	58.7
332.09534	3.4
335.08755	2.4
345.10794	6.0
347.17065	3.9
348.24438	1.3
357.07083	3.0
375.08298	22.7
376.08533	2.5
389.09723	6.2
407.10898	71.8
407.18695	6.6
407.26514	1.9
408.11145	8.5
408.18866	1.4
419.68222	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.9
61.35435	0.5
61.98827	100.0
69.70033	2.3
83.01334	0.5
84.45200	0.4
88.98780	0.6
109.32156	0.5
113.01390	0.5
118.42651	0.4
134.46654	0.5
290.10724	0.5
290.92319	0.5
406.18970	0.6
407.17447	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61761	0.5
52.90162	0.4
54.07888	0.6
55.55829	0.5
59.01375	1.9
60.10097	0.4
61.98827	100.0
70.39018	0.8
71.01373	0.5
86.74602	0.4
107.36721	0.4
124.00690	0.5
156.12563	0.5
171.10298	1.0
203.60999	0.5
225.58286	0.4
227.00331	0.5
227.79858	0.5
227.82220	0.4
241.94803	0.5
270.12793	0.5
272.95654	0.4
368.35345	0.5
407.17639	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59817	0.3
57.03449	0.5
59.01379	11.7
60.01737	0.4
61.98830	100.0
62.98512	0.4
69.57622	0.7
69.58035	1.4
71.01394	1.0
73.02950	0.9
79.32867	0.3
80.89497	0.3
85.02964	0.7
89.02440	0.7
89.04855	0.3
101.02445	0.8
109.82745	0.3
111.64007	0.3
113.02474	0.4
119.03550	0.4
121.68192	0.3
123.04536	0.5
143.55061	0.3
150.03188	0.4
158.84920	0.3
160.80916	0.4
165.05556	0.4
171.10271	1.4
178.01804	0.4
179.03416	0.3
185.11833	0.3
234.15335	0.3
243.06638	2.3
244.06961	4.0
280.31201	0.3
319.06543	0.6
330.11755	0.5
388.24445	0.4
406.12033	0.5
406.25375	1.5
407.19147	0.4
407.26425	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	2.6
58.02972	12.8
59.01373	54.4
60.01692	1.9
61.98825	100.0
66.95941	1.4
67.90405	1.3
69.34424	12.8
71.01376	21.4
72.99290	2.9
73.02930	2.6
73.26939	1.7
74.02467	22.5
75.00839	3.0
82.02968	4.0
83.01360	3.3
84.04575	1.6
85.02941	8.3
86.02461	10.2
87.00879	2.3
87.05637	4.5
89.02434	25.7
90.02742	1.5
95.01375	2.6
97.04041	3.4
99.00867	2.1
99.05633	22.5
101.02441	16.0
101.07176	4.8
102.05612	3.8
109.04076	2.8
111.05603	1.6
112.04047	2.5
113.02435	14.4
117.78044	1.4
119.03487	12.4
121.03915	1.4
123.05595	2.5
124.03967	1.8
125.03563	3.5
127.05107	4.4
128.03526	67.9
133.06917	15.3
135.05614	6.2
137.07259	1.7
141.06664	3.3
143.04608	80.3
144.04950	2.2
145.06197	2.9
146.04538	9.9
149.26840	1.4
153.06656	5.5
157.08669	6.4
161.04514	4.6
166.09824	3.4
167.04701	2.6
167.08238	5.6
171.04001	2.8
179.04472	19.3
181.06166	3.2
185.05595	3.2
192.07776	1.9
197.05592	6.3
201.92595	1.6
205.39256	1.4
210.08824	17.4
245.17438	3.0
249.06050	3.2
254.07805	44.0
254.10150	1.5
255.02931	2.0
267.07080	3.0
272.08844	46.7
273.09155	2.1
277.12183	4.9
347.16806	3.5
388.15417	9.6
406.16525	75.4
407.07721	6.7
407.15393	19.9
407.22757	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	405.241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25747	5.7
59.01361	26.6
61.98829	100.0
63.19085	6.1
67.12392	5.7
69.55414	6.6
70.67268	8.9
70.67604	15.0
127.36624	5.9
151.17139	6.2
267.68549	7.2
290.69406	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	405.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27619	7.1
59.01377	24.5
61.98838	100.0
64.42481	8.8
66.23126	8.4
69.49056	27.8
69.49464	26.5
72.28333	9.3
74.63771	8.0
75.00878	14.4
75.80776	9.0
85.42271	8.2
99.02884	9.2
136.80038	7.8
150.93219	8.9
202.21443	8.3
209.11737	14.0
375.18335	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	405.14
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92054	0.4
59.01379	100.0
60.01710	1.0
61.98831	3.0
67.13284	0.4
69.20007	0.4
71.01387	3.0
71.07457	0.8
73.02948	0.5
85.02950	2.3
86.29620	0.4
88.98793	0.5
89.02443	3.0
96.96021	0.4
101.02461	1.4
113.02451	1.1
119.03499	1.2
122.06091	0.4
152.01076	0.6
153.01950	2.9
153.05598	0.7
161.04584	0.9
168.04276	4.3
171.14119	0.5
181.05031	0.5
183.06615	15.6
184.06894	0.9
191.01955	0.6
227.05624	0.6
243.08727	2.8
243.16081	0.9
285.85446	0.5
323.13480	0.7
405.17648	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2126
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01863	1.6
57.03437	1.6
57.37370	1.2
59.01377	100.0
61.98831	11.9
71.01379	29.4
71.53886	1.6
72.99286	2.4
73.02949	9.1
75.00858	1.7
78.47932	1.0
78.56234	0.9
81.03453	1.3
83.01387	5.7
85.02952	12.3
87.00848	2.6
89.02441	14.4
95.01350	2.4
95.05027	1.1
96.26494	1.0
99.00884	4.0
101.02437	23.5
107.01349	1.3
113.02451	13.2
119.03469	4.0
125.02434	2.9
143.03497	1.6
151.00322	3.7
155.14371	3.5
159.02878	1.3
161.04564	14.8
161.05852	1.6
165.12776	3.8
181.15929	1.8
183.13719	1.4
192.65941	1.1
199.07573	2.0
199.13390	9.1
201.14908	1.2
214.55595	1.1
225.14917	3.6
242.18002	1.4
243.06590	18.4
243.10117	3.8
307.07819	1.1
345.19141	47.7
346.19522	3.4
363.20447	1.5
401.44638	1.4
405.21170	65.7
406.21616	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	405.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61279	1.4
55.01882	1.9
58.00572	5.0
59.01377	85.3
61.98830	38.9
61.99147	1.1
70.64598	4.4
71.01379	51.8
72.99300	3.8
73.02928	2.1
83.01376	2.4
85.02943	12.8
87.00877	8.4
89.02443	75.0
90.02767	2.6
95.01387	4.0
96.96017	4.0
99.00903	1.6
101.01804	2.0
101.02440	26.7
113.02448	23.0
114.76760	1.4
119.03500	31.2
121.02925	3.9
131.03465	2.4
137.02440	3.0
140.10825	1.6
143.03461	4.8
147.87334	1.6
149.02448	18.5
149.04451	3.9
160.01666	2.1
161.04541	3.6
165.01897	2.8
165.05530	1.8
177.01921	100.0
178.02322	5.9
179.03401	3.2
179.05592	8.0
180.04265	2.6
183.06612	3.8
191.03503	2.4
192.04279	50.1
193.04495	2.8
195.02905	6.5
195.06651	7.5
207.06627	15.6
210.05260	9.5
225.07672	20.7
292.85522	1.6
375.53259	1.6
387.12915	14.8
388.13528	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.13
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07389	0.6
50.30008	0.8
51.79880	0.7
57.03442	1.7
59.01375	26.5
61.98814	2.9
69.49640	2.5
69.50059	2.1
71.01386	5.3
71.05019	0.7
73.02934	2.4
73.23361	0.6
75.00870	0.9
85.02905	1.5
85.06563	1.3
89.02447	3.4
93.77402	0.6
97.06579	1.0
101.02444	3.5
109.02956	0.7
111.04510	1.2
113.02441	2.4
119.03503	2.2
120.04592	0.8
122.06069	0.8
125.09719	1.5
134.06142	1.0
142.50014	0.7
149.02394	2.1
150.03204	4.7
150.05550	1.3
160.04057	0.7
161.04614	1.1
162.05569	1.3
165.05602	4.6
181.12318	5.1
183.10245	5.3
194.05838	0.9
195.06631	3.2
198.05696	0.9
199.13390	9.7
200.13771	1.0
225.11353	4.9
226.05190	1.4
227.06035	1.3
227.08221	1.3
228.06657	2.4
238.07463	2.2
239.05763	1.1
239.08102	1.4
240.05330	1.2
241.07352	2.1
243.06670	3.2
243.12361	18.7
244.12614	1.1
253.07448	0.9
253.09877	2.1
255.07698	2.1
255.11227	0.9
256.06128	2.2
256.09744	2.0
257.06885	1.5
258.06497	1.0
263.08188	1.5
265.06192	2.1
265.09741	4.6
266.06754	3.3
267.07721	9.9
267.11356	2.4
268.09723	2.3
269.09314	0.8
271.08511	1.3
273.08713	2.5
278.06915	1.2
279.07730	2.3
281.09299	28.9
282.09811	3.9
283.07364	1.6
283.10852	5.5
285.12494	6.0
286.10770	2.9
291.07925	0.9
292.08615	1.2
293.09262	16.2
294.09668	1.6
295.07199	10.3
296.07935	12.6
297.08359	1.3
311.10349	100.0
312.10684	10.2
329.11389	29.6
329.15323	1.6
330.11691	3.1
345.15393	1.3
357.13596	1.1
373.10349	7.5
405.12729	3.6
405.17480	5.3
405.25333	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49587	1.4
56.93291	1.5
57.03447	2.4
58.18879	1.4
59.01377	83.1
60.49655	1.4
61.98827	10.3
63.96601	1.4
64.88783	1.4
71.01377	39.3
71.53197	1.4
72.99302	5.5
73.02949	6.6
75.00871	2.2
80.05107	1.8
83.01370	3.3
85.02945	18.3
86.99755	1.4
87.00875	4.4
87.81940	1.4
88.98807	6.5
89.02441	35.9
92.77392	1.5
94.06615	11.6
95.01393	4.7
95.03799	2.0
96.96019	3.1
98.95569	2.8
99.00883	4.5
99.92568	3.6
101.02438	24.8
106.02939	1.2
108.04553	4.6
108.27856	1.5
110.00092	2.0
111.00896	3.1
112.04112	1.3
113.02459	16.5
115.04048	1.9
115.92033	2.4
116.92870	6.3
119.03505	16.0
121.05326	21.3
122.06119	100.0
123.06464	2.5
124.04089	1.7
124.07649	7.3
125.02436	4.3
128.03517	2.2
131.03532	2.5
133.05060	3.2
136.01657	3.9
136.04021	4.8
137.99582	2.4
138.05641	1.5
139.00366	32.2
141.09267	3.1
143.03529	2.6
150.05583	3.5
151.04012	8.6
153.01933	32.6
153.04321	20.2
154.02713	37.7
161.04562	11.1
166.05124	4.3
167.10786	1.5
168.04259	14.8
169.05048	46.7
170.05374	2.5
179.05528	6.7
181.12337	3.1
183.06689	2.3
202.12358	2.1
209.03146	2.4
217.09732	1.6
217.13399	1.4
225.11458	2.0
229.09883	2.2
235.08267	5.9
243.08838	9.6
243.10992	2.1
243.16043	5.8
245.12924	61.6
246.13257	4.4
267.07196	1.8
271.10919	7.1
289.11914	79.2
290.12268	6.8
315.09949	1.9
333.10837	26.3
334.11255	2.0
349.63925	1.5
359.13486	2.3
405.17709	54.8
406.17801	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	404.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65886	0.4
59.01370	0.6
61.98827	100.0
62.48887	0.4
70.81615	1.0
70.81940	0.5
84.52090	0.4
88.06226	0.4
116.93679	0.5
153.68176	0.4
203.80814	0.5
217.81691	0.5
217.95712	0.6
239.65547	0.5
283.10706	0.4
316.00970	0.4
325.95691	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.1
61.98827	100.0
70.34809	1.6
78.61783	0.6
100.52373	0.6
109.02888	0.7
111.95705	0.7
126.80464	0.8
318.17303	1.0
354.50095	0.7
404.20676	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43934	0.8
58.83036	0.9
59.01379	2.0
61.98827	100.0
66.60758	0.7
69.19680	0.7
109.09879	0.8
122.08578	1.0
163.64464	0.8
188.66060	0.9
211.13362	5.6
211.23352	0.8
215.09924	0.7
243.78067	0.8
413.28970	1.0
425.64752	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2075
Annotation	Icacine
Peak:m/z	Relative Intensity
52.66051	0.7
53.26994	0.6
57.03450	0.9
59.01366	2.1
59.97920	0.6
61.98829	17.8
69.03447	1.0
69.41750	4.8
71.48579	0.7
80.96513	2.7
84.04533	1.9
95.05030	1.1
95.50289	0.7
97.06583	2.9
98.19891	1.3
102.05661	1.3
105.07079	1.8
107.03777	3.3
107.05038	0.9
110.13582	0.8
123.08148	4.0
125.09718	18.1
127.53518	0.7
130.99956	0.7
146.06108	0.7
147.08163	0.9
148.07678	61.1
149.07990	2.4
150.09193	4.1
160.04033	3.3
174.09238	1.3
175.44295	0.6
176.10838	0.7
177.12930	1.1
179.10265	0.7
185.11797	3.9
189.07887	6.1
190.12369	3.0
203.14447	0.7
211.87950	0.7
216.10313	3.1
219.71663	0.6
221.31667	0.6
222.11307	1.9
231.17503	8.7
232.17871	1.2
234.11330	2.0
240.78577	0.7
257.15503	0.8
274.18188	1.5
275.16458	9.8
276.16797	0.9
300.16089	4.1
318.17053	30.1
319.17398	2.2
323.16791	1.6
342.20819	0.9
353.66043	0.7
360.21851	1.8
386.19562	3.1
404.20737	100.0
405.21051	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	404.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65162	1.0
59.01373	5.1
61.98830	100.0
69.84692	2.3
69.85083	3.0
80.09557	1.2
83.33655	1.1
88.98838	1.3
92.59072	1.2
117.56760	1.1
405.36456	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.1
59.01379	38.4
60.01727	0.8
61.98830	100.0
69.70631	0.5
70.65546	1.6
71.01376	9.3
72.01729	0.8
72.99306	0.9
73.02950	2.4
74.02480	1.2
83.01372	1.3
85.02508	0.6
85.02917	2.8
87.00873	0.9
88.04049	2.1
89.02441	9.3
99.05623	0.9
101.02444	6.2
113.02436	3.0
119.03484	3.1
128.03543	3.1
131.03508	0.8
140.07137	4.8
143.03621	1.0
143.04620	4.4
146.08250	0.8
147.39207	0.7
149.04630	0.7
150.89850	0.5
160.00737	1.2
161.04607	2.2
165.09283	0.7
167.10814	1.0
171.08125	0.8
179.05730	1.2
183.10281	3.5
207.80597	0.7
218.10309	1.3
225.11377	1.8
225.15170	0.8
243.16112	0.7
254.07915	1.2
272.08966	2.1
299.10434	1.2
306.07642	6.3
344.14459	1.8
345.15598	1.1
372.39957	0.6
387.20291	2.5
404.15918	1.0
405.13171	0.7
405.16794	2.8
405.22061	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	404.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.1
59.01379	38.4
60.01727	0.8
61.98830	100.0
69.70631	0.5
70.65546	1.6
71.01376	9.3
72.01729	0.8
72.99306	0.9
73.02950	2.4
74.02480	1.2
83.01372	1.3
85.02508	0.6
85.02917	2.8
87.00873	0.9
88.04049	2.1
89.02441	9.3
99.05623	0.9
101.02444	6.2
113.02436	3.0
119.03484	3.1
128.03543	3.1
131.03508	0.8
140.07137	4.8
143.03621	1.0
143.04620	4.4
146.08250	0.8
147.39207	0.7
149.04630	0.7
150.89850	0.5
160.00737	1.2
161.04607	2.2
165.09283	0.7
167.10814	1.0
171.08125	0.8
179.05730	1.2
183.10281	3.5
207.80597	0.7
218.10309	1.3
225.11377	1.8
225.15170	0.8
243.16112	0.7
254.07915	1.2
272.08966	2.1
299.10434	1.2
306.07642	6.3
344.14459	1.8
345.15598	1.1
372.39957	0.6
387.20291	2.5
404.15918	1.0
405.13171	0.7
405.16794	2.8
405.22061	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	404.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
79.32673	0.3
85.72874	0.3
86.05850	0.3
102.73493	0.3
110.34029	0.3
132.48660	0.3
217.78122	0.4
281.94485	0.3
386.41907	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60982	0.3
61.98828	100.0
69.61990	1.3
98.19828	0.3
127.42865	0.3
127.80599	0.2
128.75732	0.3
130.80780	0.2
301.04889	0.3
328.35159	0.3
334.30310	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
59.01377	8.5
61.98827	100.0
71.01378	3.1
71.52425	0.5
71.52828	0.6
75.00868	2.4
78.91902	0.7
79.09578	0.5
82.75283	0.4
85.02953	2.0
89.02435	3.6
96.96026	2.7
99.00887	0.5
101.02448	2.1
112.86455	0.4
113.02474	1.4
119.03535	1.5
119.05038	1.2
122.06098	1.2
123.00891	1.1
124.01266	0.6
128.03494	0.5
129.01935	1.2
134.27455	0.4
134.70892	0.5
135.04538	7.9
138.03207	0.5
149.09735	1.3
159.03073	0.7
161.04587	0.4
163.04050	1.1
167.10808	0.9
179.03491	15.0
180.03967	0.6
182.08235	0.5
183.06444	0.5
195.05081	8.6
196.05440	0.5
209.04317	0.8
223.06158	1.1
224.04343	0.5
224.06490	1.8
243.15753	0.5
289.11963	0.9
294.49829	0.5
320.09305	0.5
341.08679	3.8
345.03110	0.5
404.16666	2.2
405.17798	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36605	0.2
59.01371	1.3
61.98827	100.0
69.36227	1.9
71.01376	0.4
74.47437	0.3
89.02450	0.6
96.96013	0.9
101.02446	0.5
113.02489	0.4
117.86715	0.3
119.03532	0.4
177.01967	0.9
191.74338	0.3
192.04312	0.5
341.55225	0.3
368.23633	0.3
404.10458	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	41.5
61.98828	100.0
71.42472	11.4
89.55522	6.0
96.10140	7.9
217.42680	8.4
243.07115	7.0
299.47729	7.3
317.59250	7.2
387.19888	7.4
388.40201	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	403.1971
Annotation	Pisumionoside
Peak:m/z	Relative Intensity
53.73515	0.7
55.01864	1.6
57.03439	2.5
58.00596	0.6
59.01381	52.4
61.98534	0.6
61.98814	2.8
69.03453	1.7
69.17707	6.4
71.01009	1.1
71.01380	19.9
71.05003	1.0
72.99310	1.4
73.02943	6.8
83.01395	3.8
85.02944	7.1
87.00871	5.1
89.02446	5.6
95.01360	1.6
97.02940	1.6
99.00891	1.8
99.04469	0.5
101.02441	13.0
111.00935	0.9
113.02438	5.2
119.03521	1.8
125.02444	3.2
143.03465	1.2
153.12836	3.3
181.12329	3.1
182.50888	0.7
194.34578	0.7
199.13388	27.0
200.13708	1.5
200.35056	0.6
201.60240	0.6
202.45421	0.6
240.10423	0.7
241.14401	1.0
256.08276	0.6
305.06790	0.7
343.17609	27.7
344.17990	1.8
361.18665	70.2
362.19064	5.1
403.19696	100.0
404.19968	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	403.1969
Annotation	Pisumionoside
Peak:m/z	Relative Intensity
55.01871	1.1
57.03426	2.6
59.01377	46.6
59.84855	0.6
61.98821	3.5
63.19467	0.7
69.03456	1.2
71.01373	20.1
71.05000	1.9
72.99289	1.5
73.02952	6.0
83.01387	3.0
85.02943	7.8
86.00089	0.6
87.00866	4.9
89.02424	5.6
95.01340	1.0
97.02939	1.4
99.00858	1.8
101.02433	11.1
111.00819	0.7
113.02452	6.5
119.03445	1.3
124.01584	0.6
125.02435	2.3
137.02396	0.7
143.03546	0.9
146.00064	0.6
152.82184	0.6
153.12830	2.2
163.57558	0.6
175.07791	0.6
181.12395	3.6
199.13377	25.4
200.13736	1.9
211.13341	1.2
219.06796	0.7
226.06898	0.6
241.14407	0.8
305.06650	0.8
343.17554	28.3
344.17908	2.1
361.18628	69.0
362.18994	5.9
403.19638	100.0
404.19983	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	403.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43946	0.4
57.03426	0.4
59.01377	89.4
60.01717	0.9
60.10719	0.4
61.98827	5.6
71.01379	2.8
71.53819	0.4
73.02954	1.6
81.03481	0.4
83.01402	0.7
84.97005	0.4
85.02952	2.1
87.00886	0.9
89.02451	0.9
95.01414	0.6
98.99329	0.4
99.00896	0.6
101.02414	2.4
113.02469	1.2
119.03508	0.4
121.02949	0.6
137.02516	0.4
138.05573	0.9
143.03564	0.4
149.02470	0.6
150.03195	1.3
161.04541	2.0
165.05554	1.1
165.12814	5.1
166.02824	0.4
166.13287	0.5
179.74261	0.4
181.06592	1.6
183.04556	0.7
183.13889	36.8
184.14203	2.2
192.04276	0.7
193.07095	2.6
197.06038	1.4
198.06822	1.7
207.06642	1.0
209.11798	1.3
225.05553	45.1
226.06233	8.9
227.12868	13.8
228.13113	0.6
241.08684	100.0
242.09007	7.2
280.74918	0.4
403.14157	1.4
403.19617	18.5
404.20013	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.161
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
54.60443	0.8
57.03468	1.7
58.00584	2.6
59.01377	56.2
60.01700	1.0
61.98840	5.7
63.90764	0.8
71.01380	23.9
71.53688	0.9
72.99297	2.0
73.02950	4.3
75.00890	0.8
83.01347	2.0
83.04993	1.1
85.02940	5.3
87.00874	2.3
87.04491	1.4
89.02443	24.6
90.78299	0.8
93.17564	0.8
95.01381	2.2
97.06557	1.8
98.05855	0.9
99.04542	4.8
101.02441	15.0
101.06040	1.0
109.88549	0.8
111.04463	0.8
113.02444	9.3
115.00375	1.5
116.05527	0.8
119.03491	12.3
124.05289	1.6
125.02427	3.1
131.03494	1.3
135.11809	5.5
137.02495	1.1
137.09781	1.2
140.21983	0.9
143.03444	1.2
161.04446	1.7
161.09676	3.0
175.02437	1.2
179.05626	4.8
179.10757	39.7
180.11069	1.7
187.64034	0.8
220.11809	0.9
223.09744	100.0
224.10086	5.7
260.67404	0.8
271.15353	1.9
275.04822	0.9
305.06653	2.5
359.11575	1.2
359.16660	1.0
385.22760	0.9
403.15939	22.4
403.23627	8.5
404.16434	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
57.03439	1.0
58.00578	1.0
59.01379	26.1
61.98811	1.1
63.31991	0.4
69.03432	1.1
69.29802	3.3
69.52281	0.4
71.01380	14.2
71.01780	0.8
71.05019	2.2
72.87132	0.4
72.99294	0.8
73.02933	1.5
83.01396	1.6
85.02947	3.3
87.00854	0.8
89.02440	12.5
95.01377	1.2
101.02442	9.1
102.02767	0.5
113.02438	4.2
119.03480	3.5
123.08147	1.6
138.01917	0.4
163.11270	1.3
173.19315	0.4
177.12785	0.7
179.14400	2.7
197.15421	0.5
223.13367	17.7
224.13702	1.1
241.14445	1.9
327.09811	0.5
371.09039	0.5
377.52356	0.4
403.19684	100.0
404.20041	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1969
Annotation	Staphylionoside C
Peak:m/z	Relative Intensity
55.01867	0.8
57.03448	0.7
58.00587	1.0
59.01381	23.2
60.01709	0.3
69.03437	0.8
69.44121	2.2
71.01380	12.8
71.05015	2.2
72.99319	0.8
73.02945	1.3
83.01392	1.5
85.02944	3.3
87.00891	0.5
89.02444	9.6
95.01378	1.2
99.00890	0.7
101.02445	9.1
113.02448	4.1
119.03513	2.8
123.08153	1.5
145.30363	0.4
155.07152	0.6
163.11346	0.6
177.12833	0.4
179.14459	2.6
180.45940	0.4
191.55725	0.4
197.15463	0.4
223.13382	15.5
224.13704	1.0
241.14449	1.2
402.66782	0.4
403.19696	100.0
404.20062	10.4
404.78436	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99258	1.4
57.03433	2.1
58.00587	2.0
59.01377	99.0
61.98824	6.3
62.57761	1.3
62.68294	1.2
65.53652	1.2
71.01379	48.8
71.29425	2.1
71.29767	1.4
72.99295	3.4
73.02969	3.6
83.01390	3.9
85.02946	13.5
87.00865	3.9
89.02441	60.2
89.56648	1.5
95.01402	3.6
99.04517	7.3
100.68766	1.5
101.02441	26.5
110.36462	1.4
113.02444	20.9
113.03173	1.9
118.50472	1.4
119.03500	25.2
124.05280	2.9
125.02479	1.7
131.03531	2.9
131.40463	1.3
135.11826	3.8
137.09811	1.3
143.03490	3.6
149.04541	1.9
161.04607	3.4
161.09773	2.6
173.62869	1.5
174.80174	1.2
175.99501	1.3
179.05594	10.6
179.10773	41.0
179.14426	1.8
180.11052	2.3
197.11755	1.6
223.09735	100.0
223.13425	9.6
224.10164	5.3
235.44963	1.4
241.05136	1.9
241.10788	4.0
282.55603	1.3
313.07236	2.3
391.18961	1.6
403.16397	4.2
403.19827	48.1
404.20120	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	403.1609
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
51.33900	0.6
54.49409	0.6
55.97875	0.6
57.03447	1.0
58.00591	1.2
59.01378	66.9
60.01693	1.6
61.98828	20.9
69.03455	1.3
71.01379	16.7
71.53260	1.1
72.99304	1.5
73.02954	4.6
75.00871	4.4
75.08282	0.6
75.23433	0.6
78.95895	2.7
83.01379	2.5
83.05006	0.6
84.02169	3.1
85.02950	9.1
85.04060	0.9
87.00868	2.8
89.02441	9.6
93.03413	0.9
95.01375	2.1
95.64969	0.6
96.96008	17.7
97.02892	0.9
99.00870	1.6
99.04526	1.0
101.02446	10.3
101.47101	0.7
107.05019	0.8
109.06603	1.4
113.02459	6.8
119.03498	4.1
121.02943	1.2
121.06564	3.1
125.02407	1.0
128.03540	1.8
129.01999	0.9
131.03476	1.8
133.43382	0.8
134.03775	0.9
134.04735	1.0
135.04520	1.9
136.01643	4.0
136.05280	1.0
137.02428	1.3
145.06595	2.1
150.06825	1.2
151.04001	5.4
152.04564	0.7
157.06137	0.7
159.02966	1.2
161.04559	3.6
161.09706	2.1
162.06889	1.4
163.07626	5.8
164.04803	0.9
165.05428	1.2
166.06395	0.7
167.03458	1.6
168.00568	1.0
179.03496	1.8
179.05592	1.6
179.07144	1.9
179.10730	2.1
180.07886	4.7
181.05095	0.9
181.08742	9.4
183.02975	2.1
191.05615	7.3
193.05136	1.0
195.05092	1.6
199.05919	1.0
205.03452	0.8
209.06667	2.2
211.06111	2.4
223.09705	3.6
239.09245	0.8
268.54721	0.7
320.09308	2.2
333.46027	0.6
343.13983	1.4
349.15878	0.8
401.28775	0.7
401.35187	0.8
403.16110	100.0
404.11646	1.1
404.16479	9.3
429.25131	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1607
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
57.03446	3.2
57.97551	2.6
59.01375	100.0
61.98829	58.1
71.01383	25.4
71.52982	5.3
73.02939	9.0
78.95879	3.1
83.01366	8.4
85.02946	12.5
87.00903	3.8
89.02421	14.1
91.05325	3.1
95.01389	3.5
96.95998	4.8
99.05702	3.5
101.02446	26.3
105.03465	4.0
113.02471	11.4
121.02940	4.6
128.03532	4.3
140.07181	8.0
143.04529	4.2
161.04530	3.2
166.06331	14.9
177.03979	3.4
181.08685	23.6
182.09157	3.5
241.10759	3.7
306.07791	14.5
343.13925	96.0
343.45517	3.0
344.14310	8.4
402.70126	3.4
403.15994	8.2
404.16107	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	403.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.2
58.00581	1.5
59.01379	67.2
61.98824	7.4
68.99841	1.0
69.51826	4.5
69.52254	1.5
71.01379	19.6
72.99303	2.6
73.02946	1.5
74.55009	0.8
83.01394	3.3
85.02938	8.3
87.00871	1.5
89.02437	20.3
93.03458	1.1
95.01393	3.9
95.05042	0.9
96.96010	6.6
98.20679	1.0
99.00925	1.0
101.02441	14.9
109.02920	1.3
110.48425	0.8
111.00870	2.7
113.02431	9.4
114.71609	0.8
119.03493	8.9
121.02972	1.4
123.00887	15.2
124.01677	1.2
125.02441	1.0
127.00381	2.7
131.03484	1.4
136.98770	2.4
137.02437	4.2
138.03246	9.6
139.00365	9.7
139.04008	3.4
143.03502	0.9
145.10532	0.8
149.04605	1.3
149.09718	7.6
153.01949	1.9
153.05664	1.7
154.02791	0.9
161.04564	1.5
161.09714	9.2
163.07608	0.8
165.01904	9.4
166.02745	1.2
167.03502	1.4
179.03503	2.1
179.07095	1.4
179.10739	9.3
180.04303	5.2
181.04938	1.8
181.08653	1.2
183.02924	0.9
193.01411	19.6
195.06650	2.2
198.05553	0.8
207.03026	1.3
208.03745	38.9
209.04045	1.7
223.06105	100.0
224.06406	5.6
242.88414	0.8
251.05536	1.0
403.16205	67.3
404.12402	1.0
404.16629	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	403.1397
Annotation	3,5-Dihydroxy-4'-methoxystilbene 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.26288	0.2
57.03426	0.3
59.01375	8.2
61.98824	1.4
62.88387	0.2
71.01369	0.7
71.19780	0.4
73.02956	0.4
85.02945	0.6
97.02930	0.3
99.00887	0.5
101.02431	0.6
101.24148	0.2
111.08181	0.5
113.02447	0.3
161.04547	0.7
165.12842	4.6
181.06516	1.9
183.13882	11.8
184.14188	0.5
193.07047	0.8
197.06091	1.2
198.06784	1.8
209.11848	0.7
225.05548	41.2
226.06198	7.9
227.06696	0.7
227.12874	4.9
241.08676	100.0
242.09016	8.1
282.90942	0.3
328.97287	0.2
372.79465	0.2
403.14102	1.2
403.19739	6.1
404.14716	0.3
404.20016	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.0
58.00579	1.0
59.01379	76.2
61.98833	12.1
69.03445	2.3
70.89212	1.0
70.89543	1.6
71.01376	23.0
72.99290	2.3
73.02952	2.2
75.00861	1.7
83.01390	2.5
85.02956	9.0
87.00883	2.3
89.01932	1.8
89.02446	22.9
93.03434	1.0
95.01391	3.2
95.05015	1.5
96.96010	9.5
96.96906	1.1
99.00893	1.0
101.02441	16.8
107.05022	2.2
109.02954	1.5
111.00874	2.6
113.02456	7.7
119.03507	8.0
119.05000	1.7
121.02970	1.9
123.00882	10.4
123.08179	1.1
124.01672	1.4
125.02444	1.1
127.00340	2.1
129.01959	1.2
136.98743	1.2
137.02425	2.4
138.03224	7.3
139.00360	3.9
139.03981	3.1
143.03394	0.9
143.08646	2.1
145.06560	1.1
149.02379	1.1
149.09717	15.6
151.04027	2.1
153.01886	2.1
153.05531	1.3
156.11935	0.8
161.04549	2.8
161.09718	20.3
162.10092	1.1
163.07681	1.4
165.01851	4.9
168.36653	0.9
179.03391	1.3
179.10751	17.8
180.04277	2.4
180.11101	1.6
181.04825	0.9
181.08640	2.1
193.01427	10.6
195.05092	1.0
199.06184	1.0
208.03754	20.1
209.03995	1.4
223.06105	45.7
223.09744	3.2
224.06528	3.3
241.10707	1.5
251.05510	0.9
261.08835	1.1
341.08551	1.1
343.10605	0.9
403.16125	100.0
404.16428	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	403.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	3.2
59.01373	25.2
61.98818	7.1
71.01366	7.6
71.53732	4.5
72.99290	2.2
73.02943	4.9
73.48619	2.7
80.05035	2.6
85.02930	2.8
86.53867	2.2
87.00867	2.2
89.02439	3.9
101.02427	5.8
113.02388	5.3
122.06156	11.1
125.02409	9.5
130.02951	4.1
132.04549	18.9
137.02426	3.9
139.03999	4.2
146.02403	2.7
147.03256	3.6
150.05583	3.3
158.02502	10.8
160.04007	11.2
162.05614	4.9
165.01915	2.2
167.03403	3.4
174.01939	2.5
175.02496	3.3
176.03482	9.2
181.05022	2.9
181.08604	3.1
183.09325	2.5
190.05115	23.3
191.05615	2.7
192.06598	3.2
211.12367	3.6
212.10661	5.1
215.11809	3.5
220.02422	2.6
223.08754	6.8
224.07539	3.9
224.09344	13.8
226.07370	3.6
227.08160	6.2
234.04019	3.0
239.11848	29.2
240.10216	7.0
241.09773	10.9
253.06139	31.9
255.07660	3.8
255.11348	8.8
267.07742	8.8
268.08435	12.5
281.09244	7.0
283.10852	72.7
284.11179	4.2
285.13315	3.2
305.06528	11.3
309.08740	17.8
310.09219	2.9
315.13455	2.7
327.05884	5.1
327.09839	100.0
328.10156	8.4
341.11484	3.2
353.07782	5.0
359.11896	4.3
361.18515	2.9
371.08817	83.2
371.13437	5.1
372.09094	9.8
388.10992	3.1
403.11209	67.9
403.19614	7.0
403.24255	11.5
404.11746	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	403.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	1.6
59.01376	77.6
60.38948	1.5
61.98827	15.6
62.45908	1.4
67.30405	1.5
69.36459	12.1
71.01387	17.9
75.00869	2.7
82.26632	1.7
83.01376	4.0
85.02938	7.0
89.02441	19.6
89.95517	1.4
95.01383	6.0
96.96001	17.5
98.19902	3.2
101.02444	13.5
106.39233	1.6
111.00865	5.2
113.02477	8.1
119.03500	7.8
121.02947	4.4
123.00879	100.0
124.01687	25.8
127.00388	3.4
136.98790	2.3
137.02406	3.5
138.03223	57.3
139.00360	6.5
139.04008	68.5
149.02379	3.4
149.09653	4.6
151.04016	3.1
152.01166	2.5
153.01768	1.8
153.05559	2.9
161.04568	3.9
161.09698	4.9
165.01894	11.9
166.02661	1.9
168.79315	1.6
178.02563	2.0
179.03459	3.2
179.10797	4.2
180.04225	5.4
181.05080	6.7
193.01405	16.5
195.05061	2.6
203.05647	2.7
205.03563	1.5
208.03758	34.7
214.19968	1.7
223.06096	83.2
224.06508	3.7
251.50435	1.6
283.08069	2.3
295.64044	1.5
343.10242	16.7
403.12497	4.5
403.16379	29.6
404.16739	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	401.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
70.16033	1.7
73.50130	0.6
73.50620	0.6
89.02457	0.8
121.02975	3.4
121.66164	0.6
126.59824	0.6
313.07391	1.0
327.21976	0.8
341.10849	0.8
384.91995	0.8
389.50171	0.7
401.09048	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	3.8
61.98828	100.0
71.75717	2.1
75.19138	1.8
83.74374	1.4
97.04887	1.4
104.90134	1.6
108.17893	1.4
111.67432	1.4
130.55157	1.3
134.42239	1.5
163.11212	4.2
229.72632	2.8
262.93909	1.5
339.23117	4.1
359.89972	1.5
406.05630	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.5
59.01372	3.2
61.98537	0.6
61.98829	8.4
62.10949	0.3
70.80201	0.8
71.01372	1.1
75.00903	0.4
78.95901	7.3
79.95733	2.5
83.01405	0.5
84.02208	0.4
85.02946	1.5
88.98831	0.4
89.02418	0.8
92.21015	0.4
96.96008	100.0
96.96924	13.7
97.02966	0.4
97.95949	0.5
101.02445	0.4
109.02944	0.7
117.39700	0.3
121.02981	0.6
123.00887	1.7
124.01665	0.5
125.02452	5.1
136.01662	0.7
137.02428	2.1
138.03221	0.7
139.04008	2.7
151.03989	0.8
153.01926	0.6
165.01889	2.0
167.03503	1.3
179.03493	1.2
179.10869	0.4
181.05013	0.5
204.04301	0.5
208.03748	0.6
211.06065	0.7
215.03993	0.4
219.06693	1.2
221.04405	0.6
223.06145	1.8
251.21182	0.4
305.06635	11.4
306.06921	0.9
403.16193	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01118	1.2
59.01378	18.2
61.98819	3.0
71.01360	5.0
73.02950	1.5
79.91335	1.2
80.05044	2.9
81.59647	1.4
89.02413	5.7
89.87185	1.6
92.67635	1.3
98.20649	4.4
101.02432	3.4
104.05031	2.0
110.71672	1.6
113.02382	2.4
119.03602	2.5
122.06092	8.4
124.07672	2.6
125.02447	7.9
130.02971	1.7
131.03726	2.3
132.04533	22.8
133.04907	1.9
137.02419	1.7
139.03937	1.8
147.03189	3.7
148.04030	2.1
150.05583	2.0
158.02405	4.8
160.04012	10.2
161.04697	2.0
162.05559	3.3
167.03464	2.1
174.05588	2.6
175.02519	3.7
176.03526	7.8
176.07088	4.5
179.03464	3.0
181.05257	1.3
183.09097	1.3
184.06210	1.6
184.07677	3.0
190.05081	16.4
191.05580	1.7
192.06683	2.0
196.11270	2.4
199.08699	2.1
204.02890	2.0
211.12450	5.7
212.05759	3.8
212.10739	3.4
213.06635	2.8
215.11832	4.6
218.33774	1.4
219.06581	1.7
220.02499	2.8
223.08702	5.6
223.13347	3.7
224.07362	2.2
224.09497	17.5
225.06221	1.6
225.08035	2.1
226.07373	3.0
227.08174	6.1
230.20230	1.4
237.10292	1.7
239.08168	4.3
239.11893	25.6
240.10124	5.1
240.12236	1.8
241.09729	11.6
250.07407	2.1
252.05202	2.3
253.06157	24.6
254.06697	4.0
255.07637	6.2
255.11415	9.1
256.08359	2.1
265.06372	1.8
265.09787	5.2
267.07742	8.8
268.08499	12.0
281.09317	11.1
283.10852	75.9
284.11105	4.6
305.06580	8.1
309.08759	23.7
310.09174	1.6
315.13379	2.5
327.09848	77.5
328.10196	7.8
341.11218	3.9
353.07599	3.9
359.11859	5.1
371.08783	100.0
372.09274	10.2
403.11301	55.9
403.19385	2.3
403.23529	2.5
404.06873	1.4
404.11679	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	401.1815
Annotation	Spionoside B
Peak:m/z	Relative Intensity
57.03454	1.3
58.00611	0.8
59.01376	20.8
60.01699	0.6
61.98828	1.8
69.03470	1.1
69.36117	4.1
71.01376	8.2
71.01733	0.7
72.01746	0.6
72.99339	0.6
73.02946	1.2
75.00876	0.5
83.01416	0.6
83.05048	1.2
85.02947	7.3
87.00904	0.9
89.02444	7.2
91.04001	12.4
95.01371	0.7
97.02925	0.9
97.06599	3.7
99.00875	1.0
101.02447	3.2
107.05009	0.9
113.02443	4.3
119.03489	1.4
121.02944	0.7
125.02451	1.2
125.09762	0.8
127.11255	1.0
131.03481	0.6
137.02431	1.0
137.09700	1.4
139.98203	0.5
150.03175	0.7
153.12833	5.6
155.10800	1.3
161.04517	1.3
165.12947	0.8
171.10249	10.4
177.12831	6.7
179.05609	1.3
179.10757	1.6
183.12428	0.6
183.13908	2.5
185.11769	0.8
195.13884	97.9
196.05251	4.2
196.14244	6.8
197.11801	7.0
203.10756	2.0
209.11943	0.7
211.13367	12.1
212.13646	1.1
220.07181	0.6
221.11794	4.3
224.04755	9.9
225.05081	0.9
229.14429	8.8
239.07153	31.5
239.12859	100.0
240.07399	2.4
240.13197	7.1
247.20792	0.7
263.12778	2.9
265.98019	0.7
281.13943	2.3
291.19675	4.5
309.20734	6.7
327.21735	56.8
328.22079	6.0
341.10898	3.8
344.18143	0.5
401.12216	1.0
401.17563	1.6
401.25848	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1602
Annotation	Lariciresinol acetate
Peak:m/z	Relative Intensity
58.86418	0.7
59.01377	100.0
60.01729	1.4
61.98835	0.9
67.42043	0.7
71.01383	2.4
83.01443	0.8
85.02940	1.3
89.02451	1.8
91.01896	1.9
93.03454	1.0
98.19925	1.4
106.04248	0.8
108.02175	2.8
109.02947	19.6
112.98814	2.0
113.02448	1.1
121.02959	2.5
123.04520	5.7
125.02451	1.9
134.03737	1.6
137.02452	3.1
142.99870	2.5
144.05841	1.7
147.04510	1.3
149.06039	2.0
155.29376	0.8
158.03665	1.0
159.04507	8.0
160.05280	1.3
161.06093	1.3
165.01909	1.8
171.04530	3.5
172.05292	5.3
173.00893	1.0
173.06047	7.7
175.07643	1.4
177.05603	0.7
184.05312	0.9
185.05943	1.4
187.07639	8.3
188.04668	1.0
188.07906	0.8
189.05544	4.4
190.06340	27.9
191.06883	1.5
196.05225	0.9
197.05991	0.7
201.05513	1.2
203.07173	2.3
205.08676	26.2
206.09073	1.1
212.04741	4.6
213.05441	1.7
224.04759	6.8
224.93613	0.8
225.05489	2.5
240.04240	13.6
241.04991	6.5
242.05415	1.0
253.05003	2.0
254.05652	2.0
255.06580	12.3
256.07062	1.4
263.06976	0.9
267.06766	1.2
267.10260	1.3
268.07291	2.4
269.08032	3.5
270.08862	1.4
280.07379	3.0
281.08081	7.4
282.08719	1.2
283.09698	4.8
293.08371	1.1
295.09750	15.4
296.10468	6.7
297.11307	1.6
299.09213	1.7
309.11252	2.8
311.09204	7.3
311.12903	2.0
313.10724	6.2
325.10971	1.5
326.11551	19.9
327.11914	2.8
329.10214	1.2
341.13925	40.1
342.10840	1.0
342.14203	4.1
343.11877	1.2
344.12604	7.4
355.11749	1.7
359.14963	31.2
360.15317	2.7
386.13647	13.8
387.14157	1.1
401.16022	67.1
402.16321	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	401.1813
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
57.03445	14.3
58.00594	1.8
59.01379	58.5
59.55083	1.0
61.98817	1.7
67.65059	0.7
69.03457	1.1
69.25960	1.5
69.26367	6.6
71.01380	30.0
72.99305	2.4
73.02949	3.1
75.00869	1.3
77.61223	0.9
83.01391	3.6
85.02949	7.3
86.71592	1.0
89.02444	27.1
95.01365	1.6
98.20696	2.0
99.00879	2.4
101.02438	16.4
108.02161	4.3
109.02964	1.7
109.06594	1.2
113.02459	9.8
119.03515	6.8
119.58167	1.2
121.06558	1.4
125.02448	2.6
134.02129	0.9
137.02475	4.2
138.01981	2.3
138.03210	1.9
147.08066	1.2
147.11804	0.9
149.04555	1.5
149.09700	1.8
152.01175	4.5
159.11838	1.2
161.04556	1.9
161.09715	2.2
163.11311	2.4
164.04739	1.3
165.01891	2.8
166.02669	2.9
173.09827	1.0
175.11259	14.2
177.01859	0.9
177.12839	19.3
178.59193	1.0
179.05661	2.1
179.07190	2.3
182.02194	8.7
185.97394	0.9
191.10748	3.6
197.04503	7.3
209.92075	0.8
217.08578	1.5
221.11780	3.9
289.07028	1.3
303.05057	1.9
341.10651	4.0
357.10947	1.4
369.15460	2.4
383.11209	1.1
401.18124	100.0
402.18536	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	401.145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64594	1.0
52.04609	1.3
55.01864	1.4
57.03440	5.2
58.96767	1.3
59.01378	99.7
61.98831	3.1
69.93908	3.1
69.94305	2.3
71.01378	12.5
72.99296	1.6
73.02942	2.6
75.00868	13.5
83.01363	2.1
83.76365	1.2
85.02954	10.0
87.00862	4.9
89.02435	9.6
94.80384	1.1
96.95989	2.5
98.20563	1.7
99.00873	3.2
101.02432	7.9
107.05024	24.1
113.02451	3.8
119.03524	2.2
119.05019	25.9
121.02932	2.8
125.02395	2.8
129.01924	5.9
137.02519	5.4
137.06076	100.0
138.01953	4.2
138.03192	3.1
138.06439	3.1
149.02446	12.3
159.02998	2.2
161.04549	2.0
164.04816	8.7
165.01904	4.0
166.02702	6.6
175.11292	2.7
177.01833	1.4
177.02437	1.5
177.04037	21.1
177.12791	1.3
179.07048	2.8
182.02258	2.0
190.02608	1.7
195.05096	22.4
197.04402	1.4
197.08171	1.1
202.92979	1.1
203.12849	1.3
205.05006	2.2
221.08232	1.1
223.06100	12.8
239.12860	1.3
277.67038	1.2
283.12051	1.1
285.04022	1.8
299.11322	2.1
303.05133	6.7
304.05728	3.0
341.11633	1.6
365.18286	1.7
401.10611	18.8
401.18408	11.6
402.11475	1.4
402.18320	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66723	2.6
57.03433	5.5
59.01377	100.0
61.79414	2.6
61.98814	11.5
71.01380	42.4
71.08108	6.0
72.16299	2.8
72.99314	2.8
73.02939	9.4
75.00884	12.6
83.01377	9.8
85.02955	32.9
86.03290	3.5
87.00867	8.1
87.03329	3.1
89.02439	35.1
96.95965	3.6
99.00871	5.4
99.04454	2.4
100.68826	2.3
101.02428	21.0
107.05022	5.6
111.00865	4.1
113.02467	16.1
119.03526	14.5
119.05003	7.4
121.02930	5.4
123.04385	2.4
125.02407	6.5
127.34937	2.3
129.01927	9.9
131.03404	2.6
135.74950	2.9
137.02419	7.6
137.06081	22.2
138.03288	3.1
143.03432	5.3
149.02423	17.0
151.00372	3.9
151.03970	3.7
153.01935	41.8
153.03099	2.3
153.05544	3.3
154.83746	2.4
161.04507	7.0
164.04816	13.9
177.04018	21.4
178.04344	3.2
179.05573	16.5
179.07103	8.9
195.05095	20.4
203.10771	8.2
212.90414	3.1
221.11734	4.7
223.06200	13.3
225.05090	7.5
243.25493	2.7
269.10165	4.2
303.04965	3.8
341.10995	7.7
346.37463	3.2
357.08148	6.7
365.17950	2.6
401.10498	24.0
402.11264	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	401.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89862	2.6
59.01377	61.2
70.79128	4.6
71.01381	45.5
71.68140	2.0
77.66171	2.3
77.81288	2.2
85.02940	6.2
87.00883	3.6
89.02444	65.9
100.85835	2.5
101.02432	22.3
113.02426	18.0
119.03511	15.2
120.15734	2.2
131.03477	3.2
143.03464	4.9
146.18330	2.2
161.04556	3.8
161.44785	2.2
164.45998	2.3
179.05576	25.0
191.05615	8.2
209.06641	8.6
214.15433	2.2
341.06705	4.9
341.10861	100.0
342.11069	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	401.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66723	2.6
57.03433	5.5
59.01377	100.0
61.79414	2.6
61.98814	11.5
71.01380	42.4
71.08108	6.0
72.16299	2.8
72.99314	2.8
73.02939	9.4
75.00884	12.6
83.01377	9.8
85.02955	32.9
86.03290	3.5
87.00867	8.1
87.03329	3.1
89.02439	35.1
96.95965	3.6
99.00871	5.4
99.04454	2.4
100.68826	2.3
101.02428	21.0
107.05022	5.6
111.00865	4.1
113.02467	16.1
119.03526	14.5
119.05003	7.4
121.02930	5.4
123.04385	2.4
125.02407	6.5
127.34937	2.3
129.01927	9.9
131.03404	2.6
135.74950	2.9
137.02419	7.6
137.06081	22.2
138.03288	3.1
143.03432	5.3
149.02423	17.0
151.00372	3.9
151.03970	3.7
153.01935	41.8
153.03099	2.3
153.05544	3.3
154.83746	2.4
161.04507	7.0
164.04816	13.9
177.04018	21.4
178.04344	3.2
179.05573	16.5
179.07103	8.9
195.05095	20.4
203.10771	8.2
212.90414	3.1
221.11734	4.7
223.06200	13.3
225.05090	7.5
243.25493	2.7
269.10165	4.2
303.04965	3.8
341.10995	7.7
346.37463	3.2
357.08148	6.7
365.17950	2.6
401.10498	24.0
402.11264	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	399.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53897	0.7
57.03442	1.1
57.49877	0.7
59.01377	100.0
60.01707	1.0
61.98830	1.3
71.01381	3.6
73.02944	1.4
83.01392	4.8
85.02955	6.3
87.00883	0.7
89.02456	2.6
101.02441	2.3
111.00890	1.8
113.02467	1.3
118.91245	0.7
119.05055	2.3
129.01961	1.9
142.74504	0.8
161.04646	0.9
205.03609	1.7
209.11852	0.9
223.04697	2.6
237.11145	1.5
279.85165	0.8
288.59201	0.7
307.19220	2.1
315.18542	1.0
325.20325	2.1
338.62338	0.8
377.36441	0.8
400.25027	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	399.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
65.26723	1.6
71.52310	2.4
85.02924	3.1
103.08239	1.8
131.29146	1.8
133.83012	1.6
136.34314	1.7
147.97372	2.2
399.34897	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	401.0875
Annotation	Apigenin 7-xyloside
Peak:m/z	Relative Intensity
52.36788	0.3
55.01863	0.3
55.86063	0.3
57.03435	0.5
59.01121	0.3
59.01380	5.9
61.98828	9.8
63.08158	0.3
65.00311	0.4
68.55024	0.4
68.99799	0.4
71.01372	4.4
71.53366	0.4
72.99311	0.7
73.02946	0.8
74.02443	0.5
75.00858	1.2
75.01255	0.4
83.01376	1.6
83.05032	0.4
85.02950	1.4
87.00864	0.8
89.02439	1.6
95.01416	0.5
96.07105	0.4
99.00871	3.6
101.02441	1.1
107.01398	1.6
107.06680	0.3
109.02978	0.4
110.82449	0.3
111.00906	0.8
112.98798	7.5
112.99524	0.7
113.02460	1.7
113.15061	0.4
115.00354	0.9
117.03413	1.9
124.98779	1.1
125.02441	0.7
129.01959	0.5
132.50418	0.4
137.02428	1.3
138.03227	1.2
142.99855	9.5
148.01657	0.5
149.02461	1.6
150.09720	1.1
150.59894	0.6
151.00308	2.1
153.99083	0.8
154.99814	1.0
165.01920	1.2
171.04494	1.0
172.05373	0.7
173.00897	7.4
175.02443	0.4
177.01889	0.6
179.05589	0.6
183.04546	0.4
196.05229	0.6
200.04749	0.6
201.05400	0.4
209.11818	4.5
211.03998	1.4
212.04793	0.7
221.19031	0.4
227.12854	2.4
239.03473	2.4
240.04254	3.9
267.02893	1.8
268.03738	100.0
269.04315	15.5
270.04855	0.8
275.13184	0.8
275.63403	1.2
283.19177	0.5
301.20074	0.6
302.20615	0.4
303.05029	0.4
311.05640	0.7
341.06696	0.6
341.10599	2.5
400.66818	1.9
401.08716	84.2
402.09073	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	399.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.1
57.03450	12.3
59.01377	81.5
60.01694	1.4
61.98828	14.1
62.41518	0.8
65.05260	0.8
69.03469	1.5
69.41133	4.5
69.42021	0.9
71.01378	23.0
71.01774	1.1
72.99306	2.8
73.02949	7.8
75.00866	1.4
81.03454	3.1
83.01376	8.8
85.02950	27.8
85.03467	1.4
86.00095	2.2
87.00864	2.3
87.04493	0.9
87.58929	0.8
89.02457	4.3
93.03446	13.2
95.01377	2.9
96.96954	2.0
99.00892	4.3
99.04500	3.2
101.02431	18.7
103.94813	0.8
106.44567	0.8
111.00877	3.8
112.01717	1.6
113.02442	12.5
119.03481	1.2
121.02930	4.1
122.03725	3.1
125.02438	1.5
129.01955	4.6
134.03726	1.6
135.04500	7.0
137.02432	22.6
143.03496	1.2
149.06081	1.0
151.03984	1.0
152.01125	1.3
161.04532	3.2
161.05951	0.9
162.06798	1.2
163.07632	1.8
166.06337	2.5
177.05556	1.1
177.09004	0.9
180.07899	32.4
181.08653	6.3
193.04988	1.2
195.10249	36.9
196.10580	2.8
205.03531	2.8
223.04567	3.4
237.07655	2.4
237.11150	1.6
251.12962	1.0
265.10718	1.1
279.12323	1.5
309.13318	1.0
324.12091	3.5
339.14438	100.0
340.14822	10.2
357.15494	68.5
358.15796	6.1
399.16711	5.1
400.16910	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87307	0.6
52.77817	0.6
55.01860	2.8
57.03446	6.2
58.00577	1.2
59.01378	83.1
60.01719	0.8
61.98821	1.3
68.05500	0.6
69.03452	1.5
71.01377	26.2
72.99312	3.0
73.02943	9.9
75.00874	1.9
76.70748	0.6
78.76489	0.6
78.95878	1.3
79.77553	0.6
81.03465	0.6
83.01379	7.7
85.02948	26.6
86.00094	2.2
87.00867	2.5
89.02435	3.5
93.03465	1.7
95.01406	3.1
96.96008	0.8
96.96964	2.0
97.02939	1.0
99.00903	3.4
99.04513	1.2
101.02444	18.4
106.06571	1.3
110.56109	0.7
111.00904	3.1
112.01659	2.5
113.02442	13.0
119.03509	1.2
121.02953	4.3
122.03743	3.7
125.02421	1.5
129.01955	3.4
134.03702	1.4
135.04532	7.2
136.05373	0.7
137.02441	3.0
143.03546	0.8
149.06096	0.7
150.05681	0.9
161.04562	2.1
162.06905	1.6
163.07661	1.4
177.05547	1.1
177.09178	0.7
178.10168	0.6
180.07910	36.8
181.08559	3.8
190.88141	0.7
193.05020	0.9
193.08711	1.1
195.10252	39.7
196.10614	2.5
205.03452	1.7
209.08134	1.0
222.08984	0.8
223.04591	2.6
237.07668	2.3
237.11168	1.2
251.12982	1.5
265.10629	1.1
279.12372	1.2
291.12308	0.7
309.13419	1.3
324.12082	2.0
339.14447	100.0
340.14746	9.4
357.15512	70.7
358.15891	5.6
399.16559	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	399.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15122	0.9
50.76238	0.6
55.01873	2.9
55.63045	0.7
57.03448	11.3
59.01362	3.1
59.87582	0.7
67.01888	1.0
70.15495	1.9
71.01374	6.3
72.99305	1.3
73.02938	1.0
75.00864	1.8
80.98277	0.6
83.01378	7.8
84.02151	1.9
85.02945	70.5
86.03285	1.3
87.00873	1.0
90.80004	0.7
91.23737	0.6
95.79863	0.8
100.70270	0.6
101.02435	6.4
103.03988	0.7
111.00876	29.9
129.01936	28.2
130.02251	1.4
130.88361	0.7
134.03729	9.9
143.03452	1.0
147.02917	1.9
161.04547	2.4
161.24237	0.8
179.05527	1.3
187.02452	1.6
193.05037	3.3
205.03517	31.3
206.03966	1.2
212.20319	0.8
222.70255	0.7
223.04567	100.0
224.04855	3.8
399.09418	1.3
416.02917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.3
57.03449	21.4
59.01382	1.9
67.01891	2.6
69.86089	1.8
69.86495	3.4
71.01389	5.4
72.99295	1.2
73.02951	2.3
75.00864	1.3
83.01389	10.7
84.02175	3.4
85.02947	100.0
85.32341	0.9
86.03299	2.9
98.20567	1.3
101.02449	4.4
108.35614	0.8
111.00874	26.6
117.03491	1.2
129.01938	44.2
130.02251	1.5
134.03732	13.8
137.02498	0.8
147.03044	1.0
161.04538	3.0
173.00900	1.3
177.04259	0.9
187.02451	2.2
188.75211	1.0
193.05107	6.2
194.05446	1.3
205.03516	25.3
223.04565	21.7
225.75439	1.0
258.40860	1.0
350.74759	1.1
365.67227	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.3
57.03444	16.1
59.01369	3.3
67.01885	1.3
69.73759	2.5
69.74175	3.3
71.01377	7.6
72.99296	1.6
73.02931	2.0
75.00888	2.6
83.01378	9.7
84.02160	3.1
85.02943	82.1
86.03278	1.1
101.02435	5.9
111.00872	29.2
129.01938	37.2
134.03709	11.6
147.02979	2.3
147.37169	1.1
161.04515	2.7
193.04993	4.7
205.03523	33.9
206.03795	2.0
223.04576	100.0
224.04944	4.4
306.69470	1.3
407.64413	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92527	0.9
55.01860	2.3
55.03992	1.0
57.03446	16.4
59.39631	1.1
67.01875	1.0
69.68703	3.0
69.69114	2.2
71.01373	6.6
72.58195	0.8
73.02932	1.1
75.00883	1.2
80.85934	1.0
82.29568	0.9
83.01372	5.8
84.02146	2.2
85.02946	100.0
86.03271	2.1
89.69030	0.8
95.00200	0.9
98.24168	1.0
99.00910	0.8
101.02434	6.0
111.00871	29.6
129.01932	41.2
130.02296	1.4
134.03740	8.7
139.53545	0.8
141.48769	1.1
149.05980	1.0
161.04602	2.3
187.02432	2.2
193.05014	8.4
205.03497	27.9
206.03885	1.0
223.04567	23.8
399.08972	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.6
59.01376	100.0
61.98806	1.4
71.04981	3.5
71.33216	1.5
141.13449	1.7
170.82063	1.4
174.12653	1.5
175.40372	1.4
177.63638	1.5
189.58057	1.3
221.88217	1.6
223.73328	1.6
229.28342	1.8
273.14801	1.8
287.16495	2.5
361.58124	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	64.1
61.98818	45.9
69.27304	100.0
71.01372	26.0
76.06095	11.1
80.17638	13.4
113.02415	14.1
174.32901	10.5
231.06543	11.2
397.09164	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	398.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03597	0.6
57.03441	1.5
59.01378	21.8
61.98827	100.0
69.44530	3.5
69.44939	1.0
69.47659	0.6
71.01365	1.4
73.02950	0.6
77.17641	0.6
82.82658	0.6
85.02963	2.1
101.02421	1.5
102.66368	0.6
111.00944	0.9
113.02435	0.9
145.03009	0.9
146.36565	0.6
191.87540	0.6
249.13388	3.6
249.60545	0.6
269.04578	2.1
291.14526	0.8
352.17703	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49766	0.8
54.40452	0.7
59.01379	100.0
61.98829	7.3
71.20100	1.4
73.96651	0.6
73.99236	0.7
79.95746	1.7
95.95236	1.1
96.96005	5.0
111.95148	0.7
112.98569	0.8
125.87058	0.7
140.05054	0.7
168.93871	0.8
191.78770	0.7
266.17651	0.7
267.18607	1.0
275.80069	0.8
287.27432	0.9
287.40012	0.7
299.17328	4.2
307.06335	0.7
318.24570	1.2
336.25427	5.4
396.24362	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	397.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	71.3
58.03794	1.1
59.01381	5.8
61.98817	3.4
69.30795	5.2
69.31206	1.9
71.01385	1.1
89.02425	1.1
96.96017	1.2
99.93177	0.7
100.62046	0.7
113.02442	0.9
121.02940	12.9
125.02419	1.1
178.06340	19.6
179.06693	1.0
180.71359	0.8
193.08684	100.0
194.09079	4.2
249.11232	2.2
317.06653	2.0
349.30441	0.7
368.25592	1.0
397.14648	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01719	1.2
61.98836	1.7
64.42400	0.3
71.01375	1.6
71.54224	0.5
85.02975	0.6
89.02436	0.5
96.96064	0.4
97.97540	0.3
101.02437	0.8
113.02443	0.6
125.73502	0.3
140.56750	0.4
160.21426	0.3
193.08649	0.3
203.05692	0.4
227.11595	0.3
267.04556	0.4
283.06277	0.5
316.39499	0.4
361.18588	0.4
377.63336	0.4
397.15323	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62056	0.4
61.98824	0.7
71.43650	0.6
71.43979	0.5
91.13077	0.4
92.51534	0.4
99.92560	2.6
100.93367	5.2
115.92074	100.0
116.92084	4.9
116.92856	2.5
118.11667	0.4
132.92334	1.3
178.90750	0.4
183.80762	0.4
209.23656	0.4
247.93817	0.4
371.34860	0.5
395.22501	0.9
417.58310	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85432	0.4
59.01366	2.0
61.98821	0.7
68.45336	0.4
69.67377	1.3
69.67782	1.0
71.01379	0.8
75.00848	0.5
77.50461	0.4
92.85667	0.5
98.19991	0.9
117.01945	0.9
135.02988	0.7
275.20010	0.6
277.21701	100.0
278.22067	9.0
282.29010	0.5
395.24377	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	395.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	0.4
59.01376	100.0
60.01717	1.3
61.01830	0.4
61.98828	6.0
61.99160	0.4
69.37652	2.2
71.01378	3.2
73.02945	0.4
75.00864	0.3
80.31593	0.3
82.89517	0.3
83.01379	0.4
85.02946	0.5
89.02456	0.7
89.37318	0.3
97.03035	0.3
101.02459	1.0
113.02435	0.9
115.86823	0.3
117.05598	0.6
119.03477	0.4
122.05202	0.3
122.06136	0.3
127.05177	0.9
135.03008	0.3
152.05389	0.5
157.06229	0.3
159.10193	0.4
160.89810	0.3
161.04520	0.6
200.15454	0.3
261.09793	0.9
293.16071	0.3
330.72189	0.4
335.17035	1.0
337.15256	0.3
395.13379	0.7
395.18512	0.4
395.23233	0.4
396.12469	0.6
414.01663	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94425	0.6
56.90028	0.5
57.31649	0.6
59.01377	100.0
60.01704	1.6
61.98833	7.6
69.18488	3.0
69.18909	2.6
71.01392	2.7
72.49694	0.6
80.87396	0.7
82.83872	0.6
85.02955	0.8
89.02442	1.1
91.59854	0.6
95.81236	0.6
96.96032	0.7
101.02496	1.1
113.02464	0.9
119.03546	0.7
133.04189	0.7
141.05585	0.7
142.70345	0.6
144.76057	0.7
158.36047	0.6
161.04573	0.7
173.08148	1.0
173.11816	9.5
181.73518	0.8
196.73886	0.6
211.48438	0.6
223.08244	0.6
232.07445	0.7
279.18909	0.7
287.32172	0.7
379.07236	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34685	0.4
59.01376	100.0
60.01720	1.1
61.98827	6.9
68.55125	0.3
69.63221	1.8
71.01373	2.9
80.39183	0.4
84.45552	0.4
88.03951	0.5
89.33089	0.4
92.93780	0.4
96.81703	0.4
98.19932	0.5
101.02436	0.7
117.05605	1.3
127.05101	0.5
158.42844	0.4
171.06725	0.6
182.43655	0.4
199.07263	0.6
257.97665	0.4
261.09744	0.9
395.23032	0.7
396.12640	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00578	0.8
56.76370	0.8
59.01381	18.5
61.98826	2.2
69.35888	2.1
69.36300	5.7
71.01372	1.3
73.02949	1.0
75.00872	0.8
78.95901	43.3
79.95724	1.2
89.02415	1.0
91.25399	0.8
96.96002	2.9
98.19886	1.2
101.02431	2.1
104.97501	1.4
109.02940	3.9
110.98533	34.7
111.08167	2.5
113.02412	1.4
123.03317	1.0
152.99580	12.8
165.04091	1.5
165.12849	32.7
166.13203	1.9
167.01143	19.0
183.13904	100.0
184.14249	8.2
185.02176	6.4
209.11798	3.5
227.12872	48.6
228.13188	3.0
335.20718	1.9
345.10812	1.6
377.13702	4.0
395.14719	87.5
396.15073	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	394.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22416	0.4
59.01384	0.8
61.98829	100.0
71.53516	0.8
80.37879	0.4
89.16701	0.5
97.95355	0.4
101.98092	2.3
308.11176	7.0
313.17908	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06392	0.5
59.01370	2.7
60.99304	13.1
61.98817	1.3
69.54992	3.8
71.01371	1.7
82.07550	0.6
85.02940	0.8
87.58556	0.6
88.98802	100.0
89.02430	0.7
89.99123	1.7
90.08463	0.5
90.44581	0.5
96.96003	0.6
109.02953	1.3
113.02438	0.7
152.03369	0.6
153.01872	0.7
184.96368	0.6
305.06424	0.7
315.07162	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80302	0.4
58.75069	0.4
59.01382	1.4
61.98829	100.0
68.70708	0.4
69.13282	0.4
69.77719	1.5
72.62608	0.4
78.95904	16.0
122.77897	0.5
139.99452	0.4
193.04793	0.4
197.11906	0.6
296.09937	1.0
379.20352	0.4
394.18356	4.4
394.23712	4.1
395.19205	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00748	0.3
59.01385	0.7
61.98828	100.0
62.93309	0.3
70.04398	0.7
70.04796	0.7
84.00915	0.4
96.96033	0.7
132.29744	0.3
135.53905	0.3
143.41707	0.3
176.44986	0.3
242.79607	0.4
247.40521	0.3
296.09900	0.8
363.33383	0.3
366.94238	0.4
382.02234	0.4
394.18414	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50079	56.6
61.98805	100.0
71.15250	57.8
71.15565	61.3
72.92274	46.6
76.90893	55.0
81.28276	50.6
82.90735	51.4
291.96832	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.0
59.01659	0.8
60.01724	1.1
61.01792	1.1
61.98827	100.0
62.68023	0.4
71.01395	1.0
71.23353	0.4
72.96215	0.4
73.02956	0.4
85.02967	0.5
98.20777	0.8
101.02460	0.6
113.02460	0.8
113.03767	0.4
116.13061	0.4
145.85564	0.4
158.42429	0.6
165.99257	0.4
256.09839	0.6
336.27274	0.4
394.29123	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
58.00586	0.9
59.01377	19.3
65.12148	0.4
69.37215	3.8
71.01379	33.5
72.00931	0.5
72.34496	0.4
72.99297	0.9
73.02939	1.1
83.01361	1.3
84.03176	0.4
85.02946	3.3
85.06583	10.9
88.04044	5.5
89.02444	11.3
95.01368	0.7
101.02438	7.6
113.02441	5.7
113.06084	2.2
116.03542	1.0
119.03490	3.5
120.63991	0.5
130.08755	1.2
142.08731	2.0
143.03468	0.6
143.07104	0.6
144.03018	0.8
160.09784	42.9
161.04568	1.2
161.10059	1.5
166.79057	0.4
176.38968	0.4
214.10846	0.9
232.11853	0.5
322.15015	4.3
376.16162	1.0
393.33667	0.5
394.17145	100.0
395.17456	9.9
416.87805	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48416	0.9
53.40987	0.9
59.01378	96.1
61.98832	1.3
62.03570	0.9
69.45717	1.9
69.46127	4.9
71.01390	2.2
75.53891	0.9
83.05018	2.5
85.02960	0.9
89.02450	2.2
95.19100	0.8
99.33961	0.9
101.02418	1.6
113.26276	0.9
137.57455	1.0
153.43387	0.9
163.11301	1.6
165.12836	1.8
183.70638	1.0
187.71997	1.1
191.10771	1.0
209.11815	100.0
209.96954	1.0
210.12102	6.8
227.12982	4.4
243.06364	0.9
298.04718	2.3
313.07272	1.3
393.28586	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	393.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11189	0.3
55.01893	0.3
57.03458	0.4
59.01378	100.0
60.01715	1.3
61.98837	2.0
71.01383	3.4
71.53066	0.5
72.97706	0.4
72.99306	0.5
73.02951	1.3
75.00883	0.6
79.88415	0.3
83.01389	0.6
85.02951	2.2
87.00851	0.4
89.02449	1.2
96.96013	0.4
99.00881	0.5
101.02408	3.1
103.58420	0.3
105.55067	0.4
113.02429	2.1
115.55302	0.3
119.03525	0.6
119.05031	0.5
126.62159	0.4
127.90047	0.3
135.04555	1.6
137.02470	0.4
140.37558	0.3
161.04543	2.1
165.05528	0.4
171.10353	0.7
179.05540	0.4
210.09933	0.3
222.70120	0.4
283.34512	0.4
301.20407	0.5
333.15573	0.3
333.19144	6.4
334.19418	0.6
345.09268	0.4
348.81076	0.4
351.20416	0.7
393.21652	0.4
393.28745	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57627	0.2
57.04960	0.2
58.93584	0.2
59.01378	100.0
60.01709	0.9
61.98825	0.7
69.22851	2.1
75.99020	0.3
96.95986	0.3
101.02427	0.3
103.04008	0.3
111.52106	0.2
211.13440	0.5
217.79617	0.2
290.91898	0.3
291.18454	0.3
307.13574	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23964	0.5
59.01377	100.0
60.01711	0.9
61.98824	2.0
69.17422	5.6
74.10477	0.5
74.45940	0.5
79.95742	0.6
96.95978	0.6
108.88406	0.5
113.60824	0.5
328.86087	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	15.7
61.98827	100.0
71.01382	0.8
71.53886	1.3
93.62241	0.7
220.87285	0.8
230.05583	0.6
315.26505	0.6
329.07050	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	393.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.7
61.98827	100.0
69.68089	5.1
74.21017	0.9
93.87950	1.0
108.02164	1.8
121.02885	1.6
123.04529	5.0
149.06102	1.7
178.01419	1.1
179.02205	2.8
194.04573	5.3
239.07080	2.0
239.30347	1.0
267.06683	2.0
283.04788	1.0
285.02975	1.4
298.07123	3.3
300.05048	3.3
330.09821	69.4
331.10098	6.8
394.18362	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20908	0.7
53.90639	0.7
54.04825	0.7
55.01874	1.3
57.03446	92.3
58.03777	1.5
59.01378	100.0
60.01718	1.2
61.98823	4.0
71.01378	16.3
71.53741	1.0
72.99285	0.7
73.02950	6.3
81.03459	1.4
83.01384	4.6
85.02949	9.7
87.00887	1.3
87.04499	0.8
89.02460	2.6
95.01411	1.0
99.00890	2.9
99.04516	75.3
100.04857	1.3
101.02439	35.2
113.02439	7.6
119.03542	1.0
125.02448	19.9
126.02824	0.9
131.48822	0.8
140.54416	0.8
143.03500	2.3
152.01181	0.7
159.02954	1.6
161.04547	8.2
193.65483	0.7
195.06555	0.9
198.49261	0.7
231.15842	0.8
231.69214	0.8
249.13408	31.7
250.13802	1.5
275.83707	0.7
284.77533	0.8
291.14636	2.0
331.17798	1.7
333.19299	1.5
393.16855	4.1
393.21371	3.0
393.25342	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08141	0.8
55.01881	1.3
57.03446	100.0
58.03780	1.2
59.01376	74.3
69.88882	3.8
71.01376	14.3
73.02946	5.2
81.03458	1.6
83.01388	3.0
85.02943	7.2
88.98793	7.5
89.02435	1.2
99.00867	3.2
99.04513	71.6
100.04877	1.5
101.02438	35.0
109.38902	0.9
113.02457	5.6
125.02441	20.5
139.23737	0.9
143.03508	2.2
159.02954	1.1
161.04543	6.7
195.06612	2.1
249.13417	31.2
250.13731	1.5
291.14560	3.4
323.44977	1.0
331.17484	1.2
342.12442	1.0
393.17358	5.1
394.38940	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98529	0.5
59.01373	1.6
61.98813	2.1
70.71874	1.2
79.95731	28.7
80.96521	7.9
106.98080	17.9
115.06834	0.6
115.07645	12.8
124.00736	66.2
124.98279	0.6
125.01033	0.9
148.00729	4.9
234.11681	0.7
265.90979	0.6
276.12717	79.2
277.13062	5.2
392.21088	100.0
393.21445	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	392.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	0.7
61.98827	27.9
69.44817	3.6
74.22622	0.6
77.35664	0.6
79.95732	31.9
80.96513	7.3
100.34449	0.6
102.87426	0.5
103.05753	0.6
106.98078	18.6
115.07641	13.0
120.29595	0.6
124.00733	68.4
148.00746	6.1
182.40938	0.6
198.75809	0.6
276.12714	87.0
277.13025	4.9
294.13406	0.7
392.21100	100.0
393.21362	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	392.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.2
61.98827	100.0
62.98539	0.3
69.72001	0.4
69.72395	1.0
72.99308	0.2
73.57719	0.2
85.02943	0.5
91.58780	0.2
93.81117	0.2
98.19946	0.2
123.04538	1.0
125.02454	0.4
126.93872	0.2
152.93358	0.2
167.03488	4.9
168.03896	0.2
195.06674	0.8
241.56599	0.2
329.08774	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2077
Annotation	Pulchellamine G
Peak:m/z	Relative Intensity
58.27383	1.4
59.01377	6.0
60.99298	3.0
61.98824	15.7
62.00885	1.2
69.38306	10.4
71.47144	1.2
73.38543	1.2
78.96823	1.3
94.23917	1.2
96.95990	1.6
97.06580	2.5
98.20623	1.9
106.83561	1.3
108.04562	1.8
119.07445	2.0
120.08181	4.1
125.09708	11.5
132.08177	2.2
134.09758	42.1
151.11256	1.5
160.07654	5.1
160.11325	6.0
174.09230	3.9
186.09274	7.3
204.13918	4.1
242.19086	2.6
242.63625	1.3
260.20221	2.1
268.20773	1.8
286.21692	4.3
304.19202	2.3
312.19708	5.9
318.20682	13.6
330.20712	100.0
331.21140	10.3
348.21793	27.9
349.22141	4.4
362.19717	11.4
374.19708	14.6
392.20789	49.9
393.21237	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	391.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.2
59.01378	58.9
61.98800	7.6
68.51626	2.7
69.60611	18.2
73.28111	2.7
80.91673	8.8
111.08162	37.2
151.11234	3.9
153.12924	3.1
165.12772	4.3
168.47949	3.4
169.12308	10.1
180.42085	3.1
197.11818	100.0
197.56674	2.8
198.12001	4.9
199.13370	3.7
211.13330	12.1
219.09998	91.8
219.12149	5.4
233.11540	43.1
234.12018	3.0
249.13332	4.6
251.11310	6.0
263.20093	5.6
273.18353	3.8
291.19620	21.3
293.12439	7.1
309.20697	90.4
310.20862	9.0
331.18869	39.2
375.17914	5.6
391.19803	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	391.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	6.3
57.03446	5.4
58.00594	3.9
59.01378	100.0
60.01716	1.2
61.79829	0.3
61.98820	1.8
62.21857	0.4
64.79867	0.3
68.99821	0.8
69.03454	1.1
69.88293	0.6
69.88705	1.3
71.01379	92.0
71.05011	0.8
72.01722	1.7
72.99310	5.5
73.02943	22.9
75.00869	5.2
81.03464	0.4
83.01385	12.7
83.05005	0.5
84.02158	0.8
85.02948	40.3
86.00106	0.6
86.03296	1.0
87.00879	5.1
87.04514	0.5
89.02441	53.4
90.02779	0.7
95.00812	0.7
95.01384	7.0
97.02950	2.2
99.00880	10.6
99.04497	0.9
101.02439	77.0
102.02793	1.7
103.04002	0.5
111.00898	2.4
113.02448	39.9
114.02773	1.2
119.03497	23.4
120.03820	0.5
125.02441	2.1
125.09748	0.4
127.62439	0.4
129.01926	2.0
129.09253	0.3
131.03481	2.3
137.02481	0.5
141.01924	0.4
141.51215	0.6
143.03494	5.2
149.04549	1.6
159.02979	7.2
161.04546	39.8
162.04863	1.8
163.03865	0.4
173.11720	0.4
179.05611	5.0
180.05952	0.5
199.13383	0.8
203.12889	0.4
205.03593	0.7
229.04982	1.7
229.14366	0.4
229.18054	6.6
242.81918	0.5
243.12334	0.6
255.02910	1.7
256.03732	1.3
283.02466	1.1
284.03217	12.7
285.03574	2.6
299.05585	9.4
300.05890	2.0
331.17654	0.6
347.20770	0.8
361.23676	0.4
383.58075	0.6
391.09634	13.4
391.23340	87.3
391.59741	4.7
392.09912	0.9
392.23654	10.9
392.28436	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	72.8
60.04664	3.7
61.98835	10.5
63.04605	4.2
65.03976	4.1
69.60481	12.2
69.60892	13.5
71.05027	8.0
83.01364	4.7
85.23959	4.4
88.72042	3.9
91.93655	4.3
93.03459	15.8
98.20703	4.9
107.05008	4.3
111.08180	9.0
117.07102	4.8
127.07645	9.2
136.73386	4.3
149.08357	4.5
193.08438	14.4
195.13870	15.6
197.03915	4.8
205.12363	7.4
221.15121	4.9
223.13348	36.5
229.19588	6.1
245.11523	10.1
245.19165	6.8
247.09286	5.5
249.11073	6.7
271.13025	7.7
273.14716	10.7
274.00485	4.8
285.14838	34.4
291.19705	27.1
291.93427	4.4
295.16772	9.5
297.18301	69.1
298.18576	6.5
305.13651	7.0
311.16257	11.5
313.17850	87.5
314.18015	6.5
329.17310	100.0
330.17725	8.8
335.11066	4.7
373.15988	6.5
375.20142	6.4
412.36426	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	391.197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98829	1.2
64.85181	0.7
65.11073	0.7
69.84300	2.8
71.01369	1.7
74.76252	0.6
88.98809	5.3
89.02447	0.8
91.46751	0.6
96.20269	0.7
144.04579	1.5
146.06136	0.8
155.10779	0.8
161.04597	0.9
175.71872	0.7
183.06754	0.9
190.05118	1.0
226.12418	1.8
255.07848	0.6
275.09253	1.0
391.06329	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
59.01378	28.9
60.36079	1.1
61.98826	2.5
63.85364	1.2
69.03448	1.9
72.95871	1.2
80.91662	2.2
95.04961	1.6
97.02950	3.0
111.08142	16.8
118.32408	1.2
147.11778	3.5
163.11194	1.4
165.12833	5.0
169.12325	5.6
193.08461	1.7
197.11818	62.3
198.12149	5.6
199.13376	2.0
199.78954	1.2
211.13310	4.3
215.10468	9.7
219.09996	4.8
223.13451	1.7
227.12837	2.2
233.11565	100.0
234.11873	6.1
263.20166	2.3
265.17990	1.9
291.19684	13.3
293.12332	5.0
309.20700	49.1
310.20953	5.4
313.17786	2.9
331.18796	9.9
332.19312	1.5
391.07397	1.5
391.20624	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	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
57.03450	1.2
58.00591	0.6
59.01378	100.0
60.01706	0.7
60.30870	0.4
70.00276	1.7
71.01382	14.7
71.01781	0.7
72.99297	1.0
73.02941	4.0
75.00864	1.1
83.01380	2.5
85.02951	7.2
87.00897	0.9
89.02438	7.7
95.01387	0.6
97.02942	0.5
99.00890	1.9
101.02437	12.0
113.02437	6.1
119.03500	3.4
129.01889	0.5
143.03510	1.1
149.04506	0.5
151.00247	0.4
152.71112	0.4
159.03038	1.7
161.04544	9.3
179.05634	1.6
211.13280	0.8
229.18202	1.1
284.03250	1.9
299.05713	1.3
331.17603	6.7
332.17914	0.9
391.09589	2.1
391.19537	1.8
391.23453	7.7
391.27264	1.1
391.60004	1.0
392.23843	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20550	0.4
55.01868	0.7
57.03447	0.9
58.00620	0.6
59.01375	100.0
60.01694	0.7
69.45006	3.6
71.01378	10.5
73.02956	3.1
75.00891	0.5
83.01405	0.9
85.02940	4.4
87.00864	0.7
87.04521	1.0
88.95577	0.5
89.02437	11.4
89.38995	0.4
94.54723	0.5
95.01375	0.7
97.02946	0.6
98.19901	1.0
101.02435	10.3
103.73394	0.5
113.02445	5.5
119.03488	5.8
143.03516	1.4
149.13422	0.8
161.04546	4.9
169.12466	0.6
174.06740	0.5
179.05586	3.1
254.09993	0.5
331.17560	2.6
391.19659	1.9
391.27090	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
57.04375	0.3
59.01378	100.0
60.01717	1.4
60.87313	0.4
70.80173	1.0
71.01383	5.6
72.35545	0.4
72.99313	0.5
73.02966	1.1
75.00872	1.0
75.55768	0.3
83.01421	0.6
85.02963	2.6
87.00872	0.4
89.02444	4.3
95.01393	1.0
99.00882	0.7
101.02450	4.8
113.02453	3.6
119.03503	1.9
125.02466	0.6
143.03542	0.4
151.00412	0.7
160.87712	0.4
161.04582	4.1
179.05666	0.7
229.05113	2.4
256.03833	0.4
269.10361	0.4
284.03204	3.1
285.03928	0.7
299.05606	2.9
331.17609	6.8
331.21265	0.5
332.18158	0.4
347.13812	0.4
383.58618	0.5
391.09506	1.7
391.19797	1.4
391.27371	0.7
391.59912	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42754	0.6
54.12510	0.4
59.01377	100.0
60.01718	1.3
61.98820	2.5
69.56471	1.6
69.56886	0.9
71.01377	7.4
72.99306	0.6
73.02950	1.6
75.00871	1.4
75.11346	0.5
80.03952	0.5
83.01378	0.6
85.02938	3.2
87.00889	0.7
89.02422	2.6
95.01384	0.5
97.02947	0.5
99.00880	1.0
101.02441	5.0
113.02448	2.9
119.03535	1.0
121.56113	0.4
123.04548	1.5
129.01968	1.0
141.05559	0.8
143.03517	0.7
143.66055	0.5
150.03204	1.1
159.03062	0.8
161.04546	6.5
164.04886	0.4
165.05585	1.1
195.03006	0.4
195.05112	1.6
249.06175	0.6
278.05203	0.4
331.13995	11.2
331.17819	0.6
332.14420	1.2
391.11502	0.8
391.16235	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.7
59.01375	100.0
60.01708	1.2
61.98823	4.5
69.36487	3.5
71.01374	7.1
73.02945	1.9
81.19421	0.4
83.01397	1.0
85.02929	2.2
87.00881	0.6
89.02454	1.8
95.01405	0.8
99.00888	0.8
101.02444	4.0
109.06632	0.5
113.02446	2.6
119.03523	0.7
125.53154	0.5
143.03456	0.5
159.03027	0.6
161.04538	3.9
177.82764	0.4
211.13399	0.5
299.18771	0.7
331.17554	5.2
332.18097	0.4
349.18704	0.6
364.48816	0.6
391.18951	2.8
391.23318	1.4
391.27493	3.6
392.27435	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.8
61.98829	100.0
69.99425	1.5
69.99829	1.8
81.93662	0.5
97.29111	0.6
108.56392	0.6
124.91521	0.6
207.23055	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38557	0.7
52.41146	0.8
59.01377	3.6
61.98828	100.0
62.18924	0.7
67.91045	0.6
79.95728	3.5
82.77787	0.7
95.95219	1.1
96.96008	7.9
110.17003	0.7
390.16693	4.3
391.17700	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.152
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64742	0.8
57.03454	1.0
59.01377	27.0
61.98823	2.6
64.92507	0.7
65.42859	0.7
67.48638	0.8
69.03465	1.9
69.42215	0.7
71.01370	2.7
71.54359	0.8
78.95900	5.7
79.95734	1.3
80.96503	0.9
85.02941	1.5
87.47311	0.8
88.98783	2.0
101.02422	1.5
110.98551	4.6
112.49348	0.8
113.02477	1.0
116.92903	0.7
134.03693	1.0
149.09706	0.9
167.01189	1.7
167.10777	3.8
179.10715	1.5
179.14377	3.5
185.02194	5.5
195.13870	10.3
205.12338	10.7
223.13382	100.0
224.13701	7.5
226.12419	1.1
259.15921	0.8
281.08551	0.8
349.22238	1.1
391.15033	10.7
391.19067	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93045	0.6
57.10550	0.7
59.01384	3.5
59.99108	0.6
61.98828	100.0
67.53796	0.8
69.25053	6.5
73.64361	0.8
78.95918	1.2
83.36010	0.7
84.18903	0.8
96.39403	0.7
103.05228	0.7
147.57373	0.7
165.18166	0.7
165.62372	0.6
171.10860	0.7
208.96725	0.7
289.17334	0.8
327.11768	0.8
327.21854	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	390.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.9
61.98828	100.0
71.01086	1.4
108.83162	0.7
169.72829	0.7
223.13432	2.2
246.56627	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21762	0.6
59.01376	3.8
61.98830	100.0
71.53363	0.6
78.95892	0.5
81.72316	0.4
96.87347	0.6
110.57029	0.4
119.48222	0.4
132.99310	0.5
276.03311	0.6
276.54099	0.5
296.09769	0.7
308.01285	0.5
327.21811	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43410	0.8
53.80117	0.8
59.01370	4.8
61.98828	100.0
62.02550	0.8
70.08745	1.4
70.09156	3.0
79.95742	2.6
96.96017	9.9
263.29572	0.8
276.52707	0.9
357.81555	0.9
390.16663	3.2
391.17728	1.7
391.28784	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44904	1.0
52.46689	1.0
58.58050	0.9
59.01375	100.0
68.59794	1.0
70.09972	3.6
77.71679	1.1
84.85065	1.0
109.73857	1.1
112.38515	1.0
127.84748	1.0
277.21848	1.0
322.16757	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12209	1.2
59.01379	100.0
60.01717	1.3
60.66959	1.0
68.00491	1.0
70.37818	3.8
145.85416	1.1
151.32127	1.0
176.24579	1.0
201.18828	1.3
211.22128	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
57.03450	1.4
58.00596	1.1
59.01379	45.8
60.01724	0.9
61.21786	0.4
61.92471	0.4
61.98829	100.0
62.07378	0.4
68.53003	0.4
69.50134	0.8
69.50539	2.3
71.01381	26.2
72.99313	1.6
73.02951	4.7
73.27811	0.3
75.00870	0.7
83.01405	1.5
85.02948	7.9
86.03278	0.6
87.00890	1.1
89.02441	24.6
95.01382	2.0
97.02949	0.5
98.20001	0.6
99.00892	1.4
101.02441	18.0
113.02446	11.4
119.03503	9.5
125.02464	0.7
131.03487	1.1
140.11349	0.4
143.03525	2.2
145.02974	0.4
149.04556	1.2
153.09164	0.4
158.84708	0.4
159.03033	1.0
161.04550	9.7
161.05881	0.6
163.04037	0.7
179.05602	3.2
187.13470	0.6
203.13327	0.4
224.94286	0.4
229.18054	2.8
235.40488	0.4
258.18896	0.4
284.03336	1.7
299.05655	1.7
331.17462	0.9
349.18701	1.2
390.18115	0.9
390.22562	0.7
391.09647	3.4
391.18613	0.6
391.23352	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	389.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70692	29.7
54.07828	33.5
57.38895	32.5
59.01374	100.0
61.98827	74.0
71.52682	31.8
111.12585	28.2
126.19925	31.8
131.55453	31.3
213.47220	32.9
390.19946	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	389.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	66.5
61.98827	100.0
68.78916	25.8
71.06852	54.0
76.84375	30.1
80.96510	31.4
81.75831	26.0
96.29905	30.5
160.26973	29.6
179.19702	31.3
233.79410	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1813
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
54.51025	0.7
58.00605	0.8
58.64811	0.7
59.01377	9.3
61.16417	0.6
71.01376	5.0
78.06556	0.6
84.53310	0.6
85.02941	1.9
89.02432	3.6
94.05700	0.6
98.19934	1.5
101.02441	1.9
111.08130	1.9
113.02422	4.4
119.03546	1.0
161.04520	1.6
165.12837	19.8
166.13214	0.7
170.26770	0.7
179.05620	0.8
183.13889	62.9
184.14186	4.0
189.12881	0.6
197.15459	1.7
207.13850	1.9
209.11830	2.5
225.14928	1.0
227.12877	100.0
228.13216	8.5
229.10590	0.6
229.61075	0.6
251.12897	4.2
269.13962	2.1
376.17856	0.7
389.18094	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	389.1813
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
52.71641	0.4
54.63280	0.5
55.01872	0.8
57.03448	0.6
58.00587	0.6
59.01378	61.1
60.01707	1.1
71.01384	11.5
71.07675	0.8
71.08022	0.8
72.99310	0.9
73.02956	2.8
75.00839	0.5
77.67048	0.5
80.77671	0.5
83.01366	1.5
85.02950	4.5
86.00095	0.6
87.00878	1.2
89.02439	7.8
93.94325	0.5
95.01383	1.0
99.00888	1.6
101.02444	9.8
113.02437	5.3
119.03494	2.9
131.10220	0.5
159.90337	0.6
161.04506	1.2
165.12817	2.0
179.05661	0.9
190.37048	0.4
209.11810	5.4
227.12857	0.8
308.04684	0.5
329.16165	0.8
342.20251	0.7
371.17224	0.8
389.18143	100.0
390.18484	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	389.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33289	5.0
57.03444	5.3
59.01372	69.4
59.15059	4.7
61.98812	18.5
63.35136	4.5
63.78430	4.5
71.45276	5.0
71.45627	6.6
75.00827	4.7
80.02687	5.8
81.03421	9.2
83.01360	9.4
83.04987	9.9
97.06577	15.5
119.01310	4.6
121.02913	11.3
123.04490	15.0
123.08173	6.7
125.09698	20.6
137.09685	8.5
142.02678	4.7
154.04016	4.6
163.11249	15.3
175.11098	4.9
185.11748	17.4
191.14401	17.9
207.10144	13.9
209.11810	91.0
210.12073	7.4
225.11256	7.6
231.10014	70.5
245.19225	33.2
289.18057	100.0
290.18488	7.1
291.12317	6.9
291.19785	10.7
298.13986	4.7
307.19162	76.2
308.19366	9.1
317.17081	7.8
329.17279	19.4
385.07739	4.9
389.10239	12.5
389.19458	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	389.1637
Annotation	Compound II(R/S)
Peak:m/z	Relative Intensity
55.31426	0.9
59.01389	6.5
61.98828	14.1
63.78105	0.9
71.13229	1.0
71.53190	1.2
79.95735	67.5
80.96505	5.2
95.95217	4.7
96.96010	100.0
97.02952	1.9
108.07620	1.1
111.08152	2.1
126.87788	1.1
143.17648	1.0
176.98596	1.4
190.03102	3.0
191.03847	7.4
197.11774	3.3
211.13400	5.5
248.15562	1.2
279.88287	1.1
291.09024	3.1
291.19690	1.7
295.70688	1.4
309.20615	4.2
389.16370	80.9
390.16617	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	389.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53350	0.5
55.01866	2.5
57.03436	2.8
58.00592	0.9
59.01377	83.2
60.01733	1.0
61.98823	1.5
69.03442	0.9
69.47134	3.7
71.01378	40.9
71.05005	3.5
72.01709	0.9
72.99314	1.9
73.02943	9.6
75.00880	1.2
76.73517	0.6
83.01385	4.3
85.02948	14.3
86.00125	0.5
86.03339	0.5
87.00866	2.7
89.02441	17.4
95.01384	3.3
97.02968	1.1
98.03703	0.9
99.00884	4.1
101.02441	24.8
102.02772	0.7
113.02444	17.4
114.02848	0.6
115.00365	1.4
119.03493	7.7
124.05250	0.9
125.02454	1.0
129.01958	1.3
131.03490	0.8
137.09700	0.9
138.06882	0.6
139.07629	2.9
143.03484	2.4
147.04472	0.6
149.04451	0.7
149.09676	0.6
153.09177	1.9
155.10774	10.7
159.02992	2.8
161.04552	15.3
162.04973	0.6
163.11292	0.7
165.04214	0.6
165.12836	1.2
175.02458	2.0
179.05583	1.7
183.64987	0.6
209.11816	6.9
223.94427	0.6
227.12886	1.7
227.16513	22.2
228.16817	1.2
241.10910	0.9
245.17651	0.5
261.04080	1.9
313.08282	1.4
313.11646	0.5
329.15845	0.8
347.17267	0.7
371.17126	0.8
389.18060	100.0
390.18378	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	389.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
57.03436	1.5
58.00599	0.9
58.98391	0.5
59.01376	81.1
60.01709	1.1
61.63910	0.7
61.98830	9.6
64.05956	0.6
69.03461	1.1
71.00999	1.2
71.01375	11.3
72.99298	1.2
73.02945	3.4
75.00885	1.8
79.82005	0.6
81.03460	1.9
81.78130	0.7
83.01390	4.0
84.31650	0.6
85.02943	5.4
87.00878	1.3
89.02448	6.8
97.02953	0.9
99.00862	1.5
101.02438	9.1
109.02903	0.7
113.02432	5.1
119.03499	2.8
125.02441	100.0
126.02800	2.9
131.03450	0.8
134.03712	0.8
137.02440	8.7
143.03571	0.9
149.06113	0.6
150.65634	0.7
152.04791	5.2
153.05554	0.7
161.04546	1.6
167.07094	1.4
168.02998	1.7
179.03526	2.2
179.05632	0.8
184.03767	1.4
189.75385	0.6
194.05772	0.9
197.04564	1.0
209.08186	2.5
212.06876	6.2
213.07396	0.9
227.09244	20.4
228.09550	1.3
257.70242	0.6
263.18973	0.6
341.26422	0.6
389.09488	1.4
389.14453	19.1
390.14938	2.2
413.31339	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1239
Annotation	Resveratroloside
Peak:m/z	Relative Intensity
53.71443	0.2
57.03429	0.5
59.01378	3.2
59.14029	0.2
60.83087	0.2
68.17004	0.2
71.01379	1.6
85.02952	0.6
87.00851	0.2
87.04499	0.7
89.02454	1.1
93.03460	0.2
97.06606	0.3
98.19886	0.7
101.02422	0.8
107.83368	0.2
113.02450	0.5
117.03465	0.7
119.03529	0.4
119.05025	0.6
123.08126	0.7
134.67705	0.2
139.11263	0.3
141.07098	1.0
143.05023	7.5
145.02939	0.5
157.06573	1.5
159.08154	2.3
167.04942	0.3
167.10768	0.4
181.06590	0.6
182.07364	1.1
183.08128	2.5
183.13831	0.3
184.08493	0.3
185.06058	11.3
185.11794	0.3
186.06375	1.0
199.07544	0.3
201.15012	0.3
225.05571	0.7
227.07118	100.0
228.05185	0.4
228.07469	7.9
309.81787	0.3
357.11133	0.4
366.96851	0.2
389.12234	1.0
389.17682	0.5
389.25467	6.2
390.26053	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.7
61.98829	100.0
64.74084	0.4
65.21828	0.3
69.71759	2.1
75.72599	0.4
90.03980	0.4
97.52209	0.4
98.19938	0.4
103.18502	0.4
113.02478	0.4
126.18156	0.4
127.46440	0.4
129.93556	0.4
143.67651	0.4
189.87593	0.4
371.30411	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.0
61.01622	1.2
61.98830	100.0
69.39216	3.5
69.39626	5.0
145.34038	1.2
271.22726	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75421	1.0
59.01367	4.0
61.98826	100.0
68.66473	1.1
71.26544	1.0
71.53079	1.2
71.53554	1.5
71.77264	1.0
77.28802	1.0
159.56561	1.1
218.62213	1.2
237.04845	1.1
248.01340	1.3
386.10428	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.8
61.98828	100.0
71.08482	1.0
75.00855	0.4
78.77819	0.4
79.95734	0.6
85.02940	0.5
96.96024	1.9
113.27719	0.5
119.86553	0.5
139.85933	0.5
227.12955	0.5
281.59521	0.5
389.16473	1.3
399.75589	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.2
61.98829	100.0
66.41877	0.5
69.26537	5.2
72.30256	0.6
79.95728	4.0
81.81377	0.6
83.91135	0.5
96.96013	8.3
97.03000	0.7
98.19803	0.8
144.88943	0.6
313.37439	0.6
389.16299	5.7
399.84366	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71215	0.4
59.01373	1.9
61.98828	100.0
71.01377	0.6
71.52175	0.6
80.91682	0.7
81.01129	0.4
85.02965	0.9
89.02446	0.9
94.02991	0.9
96.96054	0.4
101.02445	0.4
101.08430	0.4
111.02031	1.1
116.57963	0.4
149.02586	0.4
156.39307	0.4
189.82848	0.4
194.63779	0.4
269.60428	0.4
302.71658	0.4
373.83514	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.4
58.99736	0.3
61.98827	100.0
70.37839	0.8
71.85310	0.3
75.00829	0.3
129.01941	0.4
165.12868	0.7
209.11829	0.5
307.19174	0.4
325.20279	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	50.1
70.52692	100.0
70.53080	80.9
85.65485	40.9
113.76234	43.5
148.20702	47.1
184.03928	42.2
207.99326	43.1
289.92642	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16142	0.4
59.01376	1.2
61.98827	100.0
69.76163	2.3
71.01398	0.5
85.02962	0.8
94.56460	0.4
104.34642	0.4
112.49350	0.4
125.02463	0.7
148.54288	0.4
163.03960	0.4
272.33768	0.5
282.53717	0.4
346.09134	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90845	0.7
59.01379	10.1
61.98826	100.0
71.01402	3.0
71.52860	1.1
73.02940	0.7
75.00876	1.6
83.01403	0.6
85.02942	3.6
89.02439	3.0
96.96024	2.2
101.02439	1.6
113.02470	1.2
113.55544	0.5
119.03613	1.0
125.50809	0.6
161.04602	0.8
163.11232	0.7
164.11655	0.9
179.05618	1.0
179.07147	0.7
188.52284	0.6
211.03545	1.3
212.03862	0.8
234.60902	0.6
259.23529	0.7
301.94339	0.6
388.17093	4.1
389.18378	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32302	0.5
57.37506	0.5
59.01377	48.7
69.48187	3.5
71.01381	10.9
72.99328	0.6
73.02946	0.9
77.82278	0.6
83.01380	0.9
85.02939	2.1
89.02444	11.9
95.01380	1.0
98.19906	1.1
101.02433	7.3
113.02453	4.3
119.03499	4.1
126.83445	0.5
163.11273	4.0
178.55367	0.5
179.05679	0.6
192.93443	0.5
207.10234	10.5
222.50223	0.6
347.64648	0.5
387.16568	100.0
388.16898	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	387.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	0.9
59.01378	69.2
60.01705	1.0
69.70201	1.6
69.70607	1.6
71.01009	1.0
71.01376	13.3
72.99280	1.0
72.99744	0.5
73.02942	0.8
83.01372	0.8
85.02917	3.3
89.02447	14.4
89.41473	0.5
95.01383	0.9
101.02452	9.0
104.09216	0.6
113.02441	5.7
119.03499	5.2
143.59703	0.6
147.08160	1.1
161.04535	0.9
163.11288	37.2
164.11601	2.2
165.09160	2.8
179.05600	0.9
187.89626	0.5
207.10208	0.8
226.97701	0.6
254.67224	0.6
387.16586	100.0
388.16956	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	387.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83195	28.5
59.01369	48.2
61.98832	100.0
67.95703	23.3
70.37581	82.7
76.01765	23.7
86.36175	24.9
89.92281	23.3
104.65464	25.5
293.77536	28.5
387.14392	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16012	0.6
54.32362	0.4
55.01882	0.5
57.03461	0.6
58.00585	1.3
59.01379	59.6
60.02511	0.5
61.98817	0.9
69.70347	3.3
71.01006	0.9
71.01377	11.5
72.98173	0.5
72.99295	1.0
78.57684	0.4
83.01385	0.8
85.02941	3.1
87.02856	0.4
89.01934	0.9
89.02443	11.2
95.01379	1.2
96.53747	0.5
101.02436	8.5
113.02446	4.4
114.65133	0.4
117.87379	0.5
119.03481	5.1
163.11275	4.4
202.32884	0.4
207.10245	9.2
261.01541	0.5
302.11353	0.5
307.10324	0.4
387.16583	100.0
388.16943	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	387.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66022	0.9
53.96020	0.9
58.00587	1.8
59.01377	88.6
69.44574	6.7
69.44969	2.3
71.01378	14.0
83.01380	1.4
85.02946	4.7
89.02451	15.6
101.02437	10.7
113.02446	5.2
115.67130	1.2
119.03524	5.6
119.04252	1.0
146.59996	1.1
153.01970	5.2
163.11305	13.7
165.09215	3.3
168.04254	3.8
172.30580	1.1
183.06566	3.0
207.10233	3.1
232.15935	1.1
244.35277	1.0
327.14252	5.9
368.41953	1.1
387.16577	100.0
387.65518	1.1
388.16785	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	387.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.1
57.40795	0.6
59.01383	8.5
61.60286	0.6
61.98839	0.8
69.03467	1.0
71.01389	3.6
71.53998	0.9
73.02935	1.1
73.22455	0.6
75.00880	0.6
81.03451	3.1
83.01386	5.5
85.02959	1.8
87.00890	0.9
89.02450	2.2
93.03449	1.0
95.01401	0.9
95.05024	4.7
97.02946	8.4
101.02440	2.6
108.02199	0.9
109.02953	31.0
110.03243	1.1
110.23180	0.7
111.04493	0.9
113.02449	1.2
119.03484	0.9
120.95323	0.6
121.02954	4.4
123.04520	19.3
125.02440	18.0
131.05103	0.6
135.04509	2.5
135.08128	0.8
137.02434	11.1
139.04062	3.6
145.02962	1.9
146.03699	2.0
147.04556	1.4
149.02440	7.3
150.03163	1.1
151.04015	11.3
159.04468	3.3
160.05287	1.5
161.02463	2.1
161.04738	1.3
161.06068	8.1
162.03224	2.1
163.04016	1.6
164.01149	3.2
164.07112	0.9
165.01935	4.8
165.05508	0.8
166.02661	1.0
167.03519	2.6
173.06071	1.6
174.03127	1.1
175.03995	2.5
175.07619	2.1
177.05623	1.4
179.03517	8.3
179.07140	2.9
181.12331	1.2
185.06088	1.0
187.03993	6.2
188.04727	4.9
189.05363	0.7
191.07204	1.6
199.07732	0.8
201.05537	0.9
202.06366	3.2
203.03510	0.6
203.07149	17.8
204.07434	1.3
205.05045	13.2
206.05295	0.8
217.08633	1.0
218.59322	0.7
219.06671	0.8
221.08168	3.9
225.11310	2.2
227.07103	3.5
230.05765	0.8
231.02965	1.2
231.17607	0.7
233.08257	0.9
245.08160	22.7
246.08513	1.6
247.06122	1.9
257.11612	0.9
271.06104	0.9
271.86652	0.7
289.07172	100.0
290.07462	7.1
299.12897	2.7
343.11902	13.3
343.15887	1.2
344.12308	1.6
369.13287	1.5
387.14496	49.1
387.19739	1.8
387.24338	4.1
388.14590	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	387.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96481	0.5
55.01871	1.0
56.66766	0.4
57.03442	1.0
59.01378	21.4
60.01698	0.7
61.98835	0.8
69.27374	0.8
69.27780	2.6
71.01378	9.0
72.99297	0.8
73.02933	2.5
75.00881	2.4
75.69741	0.4
82.00638	0.5
83.01398	0.9
85.02937	4.8
87.00865	1.0
89.02459	4.2
93.03454	45.1
94.03789	1.2
95.01369	1.3
98.20670	1.0
99.00895	1.6
101.02447	5.4
110.00072	3.2
111.67565	0.5
113.02438	5.4
119.03524	1.3
121.03029	0.5
123.04533	0.5
125.02431	4.0
137.02438	100.0
137.99579	5.3
138.02774	4.0
138.06859	2.5
153.01927	89.0
153.09218	5.0
154.02238	3.3
159.02968	0.6
161.04503	2.8
165.09236	3.9
168.04268	81.0
169.04601	3.8
183.06610	50.8
184.06886	3.2
211.07166	0.6
225.14957	7.4
249.06125	19.5
250.06476	1.1
281.25906	0.4
327.14413	8.6
328.14786	1.1
387.09140	6.0
387.16531	1.9
387.20621	0.9
388.10028	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48810	0.5
53.90388	0.5
57.03442	2.3
59.01382	3.2
61.89097	0.5
69.03445	0.8
69.24944	4.9
71.01369	1.3
81.03448	3.4
83.01392	4.9
85.02910	0.9
89.02516	0.7
93.03458	1.6
95.05042	3.8
97.02948	7.4
108.02161	1.3
109.02947	28.1
110.03287	1.3
115.00397	0.8
117.97685	0.5
121.02945	3.7
122.03738	1.9
123.04520	18.6
125.02439	16.1
126.02771	1.1
135.04497	2.4
137.01457	1.1
137.02440	11.3
137.03337	0.4
139.04004	3.9
145.02936	1.6
146.03719	2.2
147.04402	0.8
149.02444	6.5
150.03154	1.3
151.04004	11.4
157.06622	0.7
159.04491	3.0
160.05275	2.4
161.02411	1.3
161.06071	6.9
162.03236	2.7
162.10182	0.7
163.03996	2.1
164.01158	3.5
165.01915	3.7
166.02611	1.0
167.03474	1.9
174.03215	0.7
175.02466	1.7
175.04007	3.0
175.07616	1.9
177.05566	1.2
179.03465	7.6
179.07115	2.3
180.03973	0.6
185.06110	1.2
187.04004	5.7
188.04794	4.9
191.07155	1.2
191.10223	0.6
193.08641	0.6
201.05571	1.1
202.06337	2.8
203.03575	0.6
203.07121	18.9
204.07448	1.1
205.05048	13.2
217.08693	0.7
219.06563	1.0
221.08136	3.5
225.05556	0.8
225.11209	1.0
227.07164	2.6
230.05780	1.0
231.02960	1.7
233.08174	0.8
245.08160	21.1
246.08507	1.8
247.06030	3.4
271.06137	1.1
289.07156	100.0
290.07443	6.9
299.12863	2.1
299.66693	0.6
343.11826	12.7
343.15732	1.2
344.12323	1.6
369.13382	0.8
387.14456	47.2
388.14746	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	386.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.7
61.98827	100.0
65.78274	0.3
70.03607	1.4
85.02937	0.4
96.53139	0.3
98.20694	0.3
101.94150	0.3
161.30362	0.4
171.04875	0.4
174.80772	0.3
184.57550	0.3
198.45213	0.3
312.22656	0.7
313.23886	0.9
401.89630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.5
59.01378	8.7
61.98796	0.3
65.03960	0.4
65.91656	0.3
66.05861	0.3
67.38190	0.3
69.86522	0.9
71.01379	5.5
71.04990	0.3
72.99291	0.8
73.02947	1.2
75.00857	2.2
81.03468	0.3
83.01396	0.8
84.24054	0.3
85.02942	3.7
87.00887	1.0
89.02442	2.2
93.03455	45.9
94.03773	1.0
95.01390	0.9
99.00867	1.5
101.02423	2.4
110.00096	0.8
113.02448	3.5
119.03485	0.5
125.02417	0.6
137.02441	100.0
137.99611	0.7
138.02783	4.0
138.06863	1.3
153.01932	16.1
153.09203	3.3
154.02315	0.5
161.04530	1.6
165.09244	0.3
168.04279	13.1
168.05737	0.7
169.04622	0.3
174.85149	0.3
183.06609	6.8
184.07034	0.3
209.06728	0.7
215.51944	0.3
225.14963	6.0
230.21368	0.4
249.06139	22.1
250.06476	1.2
251.23865	0.4
266.82346	0.3
327.14282	0.7
387.09262	6.2
387.16357	0.6
387.20416	0.6
388.09763	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	0.6
59.01381	4.1
61.98829	100.0
69.71986	1.6
69.72395	2.8
70.04231	0.7
85.02949	4.7
103.36378	0.7
126.02596	0.7
163.53151	0.7
178.32544	0.8
191.01968	0.9
193.23248	0.7
318.65326	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39972	0.2
53.96202	0.2
59.01372	0.8
61.98827	100.0
69.88415	0.5
69.88828	0.8
71.01383	0.6
73.02946	0.4
77.11810	0.2
78.78552	0.2
85.02967	0.4
88.98795	0.2
96.96047	0.3
143.15547	0.3
152.45915	0.3
225.11462	0.4
237.74509	0.2
305.17685	0.5
355.01495	0.2
357.75235	0.2
386.13504	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
59.01384	6.0
61.98824	3.5
71.01369	1.1
71.53269	0.7
72.49269	0.8
75.00877	1.5
85.02946	7.7
89.02441	1.1
91.04002	1.8
92.01355	0.7
95.63372	0.6
104.41304	0.7
113.09698	1.0
113.53705	0.8
116.85812	0.8
121.02982	1.5
125.26013	0.9
128.08424	0.9
129.01938	1.0
147.02979	1.4
167.14395	2.5
183.13901	2.6
187.02548	0.9
191.01939	2.1
195.13919	9.7
209.03020	1.7
211.13394	1.2
242.15230	1.2
267.23376	1.1
293.21198	10.7
294.21469	0.9
311.22266	100.0
312.22571	8.6
385.26004	0.9
404.47113	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	8.5
59.01153	1.4
59.01376	15.0
61.98817	3.1
69.18808	5.6
69.19233	7.7
71.01345	1.9
76.38599	1.3
85.02946	9.9
86.95840	1.4
87.72099	1.5
91.03972	3.5
98.19883	3.8
113.08922	1.8
113.09724	28.6
139.11259	3.4
167.10764	2.5
167.45819	1.4
168.11211	1.5
179.10646	2.7
191.01874	4.0
195.13809	2.9
196.70964	1.6
259.81943	1.6
293.21222	100.0
294.21442	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	385.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
57.03945	0.5
59.01368	4.2
60.05903	0.5
61.98827	100.0
64.82791	0.5
67.54411	0.6
78.35988	0.5
78.88165	0.5
84.90587	0.6
85.02944	7.1
96.80587	0.6
98.20633	1.9
121.97273	0.5
129.01961	0.9
130.08711	4.5
134.03722	0.7
147.03006	0.9
191.02023	2.1
193.05173	0.9
202.82919	0.5
209.03038	0.8
219.80551	0.6
221.18210	0.5
285.03619	0.5
322.20001	2.7
325.11362	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2229
Annotation	Oleandolide
Peak:m/z	Relative Intensity
51.89991	0.9
52.95390	0.9
57.03428	1.5
59.01374	9.2
61.98833	12.8
63.43855	0.9
70.68264	3.5
71.01382	1.9
83.27859	1.0
85.02951	11.8
89.02436	1.2
91.03995	1.8
94.66323	1.0
108.41704	0.9
122.03809	1.5
125.02573	1.1
147.02936	2.0
167.14426	5.0
191.01958	3.4
193.04996	1.4
193.16072	1.3
207.17589	1.1
209.02950	1.8
223.20738	1.2
249.18602	8.1
255.82993	1.0
267.19635	100.0
268.20074	9.0
275.16467	12.2
286.04114	1.2
293.17563	68.2
294.17816	6.8
311.18610	11.8
367.21124	6.4
368.21616	1.4
385.22287	74.1
386.22565	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	385.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.4
57.03251	0.8
57.03449	8.4
58.69969	0.9
59.01379	26.8
59.17389	1.0
61.98830	1.6
65.05282	0.9
69.03447	1.0
70.81791	2.0
71.01380	100.0
72.01711	1.6
72.99316	2.4
73.02947	30.2
74.63843	0.9
75.00862	2.1
81.03458	4.6
83.01389	12.9
83.77108	0.8
84.02161	1.2
85.02949	53.8
86.03290	1.0
87.00883	3.6
89.02448	11.9
93.03473	1.2
94.84754	0.9
95.01379	8.2
97.02942	2.4
99.00890	13.3
101.02441	55.8
102.02769	1.0
109.02991	1.7
113.02451	44.4
119.03516	3.5
122.03729	1.7
125.02449	10.6
129.01929	3.0
137.02448	12.1
137.09740	2.1
139.07658	4.2
142.99820	1.4
143.03506	5.0
147.02921	1.7
149.02394	1.1
150.03152	2.3
159.03008	10.8
161.04553	49.2
165.01907	7.0
169.12343	1.7
174.01685	5.3
179.10770	18.6
179.14392	11.9
183.31854	1.0
191.01971	3.4
205.03424	1.3
205.08534	1.0
209.03044	1.3
218.83658	0.9
223.09747	62.5
223.13347	3.7
224.10086	4.6
251.14603	0.9
265.10803	1.3
287.05713	2.3
288.06284	0.9
367.13950	1.6
384.58926	1.4
385.13055	3.5
385.18628	30.7
386.18811	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	385.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.3
57.03441	4.1
58.03913	1.4
59.01381	12.0
61.98830	16.8
64.63178	1.5
69.73573	8.1
71.01379	11.9
72.99287	8.4
75.00874	3.2
77.84706	1.5
78.17022	1.4
82.90868	1.3
83.01389	6.9
83.05001	2.2
85.02956	14.6
87.00873	3.3
90.77535	1.3
99.00876	17.9
101.02378	1.8
104.75010	1.5
108.02137	1.5
109.02994	1.7
111.00868	6.9
112.98804	25.6
113.99559	1.4
115.00390	8.1
117.01936	1.6
119.89780	1.7
122.79166	1.9
124.98748	3.0
125.02431	2.0
129.01904	2.4
136.01614	1.7
137.02444	13.6
140.01152	2.4
142.99852	39.8
144.00192	2.1
145.01500	1.8
147.03006	1.6
150.03192	2.0
156.00607	3.0
161.04579	1.9
164.04802	2.0
165.01936	6.3
173.00894	21.4
174.01677	100.0
175.02261	4.9
177.05525	1.9
183.13873	2.2
191.01988	3.0
195.13771	2.7
205.12393	4.1
207.13873	2.8
209.03011	2.3
211.13387	29.7
223.13397	16.2
233.11649	1.7
235.13243	2.5
237.11293	3.5
237.14925	2.2
245.11694	2.8
263.12802	6.7
267.12341	18.0
279.12415	4.6
288.06076	2.3
305.13959	2.1
307.11844	21.1
308.11993	2.1
325.12695	3.1
337.13016	1.7
349.12796	6.4
367.13940	57.7
368.14172	4.9
385.13898	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	385.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.8
59.01377	100.0
60.01705	0.5
61.98833	2.6
62.73720	0.4
65.26065	0.4
69.40253	3.8
71.01382	5.5
73.02961	1.4
75.00887	0.7
83.01410	0.8
85.02953	5.3
87.00905	0.7
95.01456	0.7
99.00896	0.8
101.02402	2.5
111.00954	0.5
113.02457	2.7
120.24514	0.5
121.06593	7.9
122.03791	0.5
125.02468	1.2
127.48775	0.6
135.02940	0.6
137.02444	3.2
142.99835	0.6
144.96385	0.5
148.05290	9.4
159.02986	0.9
161.04544	5.1
163.03970	0.6
163.07631	7.0
164.08017	0.5
165.01933	1.4
167.03439	0.6
174.01701	1.0
181.05022	0.7
191.01982	1.6
209.03110	1.2
223.13426	1.0
385.13312	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48570	1.5
57.03442	4.8
59.01378	30.0
65.11943	1.7
68.26045	1.6
68.72650	1.4
70.23450	5.4
70.34550	1.8
71.01372	14.0
72.99316	9.1
75.00875	7.9
83.01381	3.3
85.02929	10.8
87.00846	1.9
89.02447	2.3
99.00866	16.8
100.13957	1.6
106.04247	1.9
111.00851	4.0
112.98801	29.7
113.02417	2.0
115.00396	5.4
117.01907	3.4
123.04525	3.7
135.02994	33.7
142.99858	37.7
147.02989	2.1
148.05327	1.9
156.00664	3.1
173.00900	26.2
174.01677	100.0
175.02374	8.8
191.01942	3.0
195.13892	2.1
205.12274	4.0
209.02876	2.2
211.13373	32.2
212.13739	3.1
223.13341	19.5
233.11696	2.1
237.14906	3.6
245.11821	3.0
251.12863	2.2
263.12854	5.5
267.12344	15.8
275.12851	2.2
279.12430	2.8
305.13733	2.4
307.11844	14.6
322.37106	2.0
325.12747	4.7
349.12796	4.6
355.85519	1.9
367.13940	37.3
368.14294	4.5
385.15021	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	385.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.3
57.39083	0.2
59.01380	1.8
63.02373	0.4
65.00330	0.6
69.50027	0.5
69.50434	0.6
71.01386	0.3
81.03456	0.2
81.09763	0.2
83.01366	0.4
85.02944	0.8
89.02446	0.2
93.53115	0.2
95.01383	0.7
95.78966	0.2
97.02907	0.3
105.03454	2.1
109.02985	0.2
110.56348	0.2
121.02947	0.4
122.03735	0.8
123.00854	0.3
124.01711	0.9
125.02431	0.5
135.02965	0.2
137.02426	1.2
137.06067	2.7
138.03220	5.1
138.06407	0.3
139.04013	2.7
150.03128	0.2
151.00377	1.2
151.03926	0.3
163.04019	0.5
164.01097	0.2
165.01930	2.5
165.05588	0.9
165.12370	0.2
166.02696	39.8
167.03047	1.8
172.43558	0.2
173.06139	0.3
174.01712	0.2
175.07545	0.3
179.03458	1.5
181.05048	100.0
182.05379	5.4
188.04799	0.2
191.01892	0.3
191.03415	0.3
193.04890	0.2
195.06488	0.3
198.01678	0.2
205.05092	0.3
223.06139	0.9
229.08585	0.3
268.40131	0.2
323.12823	0.3
367.11682	0.6
385.12537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72900	1.1
52.76573	1.0
55.01870	2.8
57.03445	12.8
59.01377	29.1
61.98825	13.7
69.92175	1.6
69.92568	2.9
71.01377	17.9
72.99309	2.1
73.02937	6.2
75.00845	1.7
78.93812	1.0
83.01384	6.6
84.02164	2.4
85.02946	100.0
86.03289	1.9
87.00851	2.0
89.02437	7.2
93.77509	1.0
99.00867	2.4
101.02436	19.2
103.00364	1.7
111.00864	3.1
112.98569	1.5
113.02430	6.9
119.03501	2.3
119.04993	4.2
129.01936	7.8
131.03497	1.2
133.05006	1.3
134.03688	4.9
143.03477	1.2
147.02983	12.7
149.06104	1.4
161.04543	8.0
163.03981	5.9
163.06100	8.4
179.05551	1.2
191.01971	28.2
191.34988	1.1
192.02225	1.0
193.05054	3.5
209.03041	10.5
223.04532	2.7
228.03247	1.1
325.11380	38.5
325.15143	2.4
326.11722	2.6
339.12839	1.4
361.70465	1.1
371.55551	1.2
385.07852	1.9
385.13196	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.6
58.00586	0.9
59.01373	22.7
60.01717	0.6
61.98819	1.9
68.99808	0.8
69.46280	5.0
71.01376	4.3
72.99304	4.4
73.02950	1.9
75.00865	63.1
76.01228	1.2
83.01389	1.5
84.02156	27.0
85.02462	1.3
85.02943	10.1
87.00852	3.0
97.02931	1.1
97.76256	0.7
99.00882	0.8
99.04510	15.5
101.02431	3.7
103.04034	1.9
113.02456	2.5
117.03445	3.4
129.01939	1.2
132.07558	0.6
133.02948	0.9
134.03729	47.5
135.03998	1.2
137.02423	1.1
141.01909	0.7
147.03003	1.2
149.02417	0.8
149.06065	4.6
160.01634	4.8
161.02414	1.0
161.04565	1.6
173.04498	1.0
175.03984	7.1
177.03911	0.7
178.02698	0.9
179.05571	0.8
181.08684	0.7
191.01958	3.0
191.05594	53.2
192.05931	2.2
193.05031	31.1
194.05367	1.5
198.49232	0.7
205.12215	0.9
207.06641	0.8
209.06638	100.0
210.06952	4.6
266.10385	0.7
309.09708	2.1
343.13809	0.7
367.10339	1.7
377.20959	0.7
385.11310	41.7
386.11752	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.1
57.03446	12.5
59.01381	7.2
61.13521	0.5
65.22874	0.6
68.99824	1.1
70.02351	1.9
71.01371	5.0
72.99300	1.8
73.02925	0.6
75.00867	2.7
83.01387	1.9
84.02174	3.6
85.02947	100.0
86.03275	2.5
87.00861	1.4
89.02460	0.9
101.02447	1.4
103.00359	1.7
109.08794	0.6
111.00879	5.5
115.00381	0.9
117.03450	0.7
129.01929	8.0
133.01433	1.2
134.03725	5.2
147.02989	13.3
173.00912	2.2
191.01962	34.3
192.02267	0.9
193.05064	4.0
209.03004	20.9
209.04927	1.1
210.03352	0.9
217.12766	0.6
259.73087	0.6
300.42770	0.6
343.59949	0.7
385.07440	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.5
57.03452	11.3
57.34070	0.8
59.01376	9.9
68.99786	1.5
69.86794	4.0
71.01370	5.1
72.99303	1.7
75.00864	2.1
83.01391	2.5
84.02169	2.1
85.02945	100.0
86.03275	2.4
87.00880	1.4
93.03431	0.9
99.09610	0.9
101.02465	1.0
103.00396	1.6
103.59444	0.8
111.00877	4.1
111.33711	0.8
119.05020	78.0
120.05325	3.5
125.52419	0.9
129.01927	8.8
133.01434	1.3
134.03737	4.1
147.02977	10.1
163.03999	95.7
164.04338	4.3
173.00890	1.1
191.01974	28.2
193.04971	2.1
209.02995	18.9
223.04463	1.2
281.35492	1.1
385.07706	1.2
390.42905	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65862	0.3
55.01878	0.5
57.03454	0.6
59.01380	15.1
61.98842	0.4
69.85881	1.8
71.01384	3.6
72.99305	3.7
73.02939	2.7
75.00869	46.9
76.01189	0.5
83.01391	1.6
84.02166	9.7
85.02945	5.3
87.00865	1.9
89.02435	0.6
93.32595	0.4
95.01385	0.6
97.02934	0.5
99.04526	10.1
101.02442	4.2
103.04018	1.3
112.01709	0.5
113.02464	2.9
117.03453	0.6
121.02983	0.9
122.03722	0.5
129.01988	0.5
134.03751	15.4
135.04025	0.5
136.90784	0.4
137.02440	0.7
143.03473	0.8
149.06070	0.8
160.44263	0.4
161.04524	1.1
162.02309	0.4
166.06322	3.2
173.04587	0.9
181.08698	6.5
182.08987	0.5
191.05609	4.7
192.55022	0.4
193.05055	11.9
209.06653	100.0
210.06973	3.3
265.10614	0.4
325.12909	14.1
326.13184	1.1
343.13922	8.1
344.14285	0.8
385.11349	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33990	0.5
55.01878	2.6
57.03445	12.7
57.51080	0.5
59.01376	6.2
68.97527	0.5
70.82775	1.5
71.01367	3.6
72.99342	1.2
73.02942	0.5
75.00856	1.6
83.01370	2.6
84.02164	1.9
85.02948	100.0
86.03284	1.8
87.00865	1.3
95.82296	0.5
101.02428	0.9
103.00372	1.9
111.00873	3.8
115.00381	0.6
129.01941	7.6
134.03737	4.3
147.02997	13.0
156.95317	0.6
163.04012	1.2
173.00954	1.9
186.50726	0.6
191.01976	29.2
192.02312	0.9
193.05028	2.9
209.03017	11.4
223.04553	1.2
264.39041	0.6
276.83453	0.5
385.07593	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27542	0.6
55.01875	2.7
57.03448	11.9
58.65512	0.7
59.01376	12.0
68.99807	1.0
69.49520	3.9
71.01385	10.1
72.99305	2.4
73.02956	1.1
75.00865	4.7
83.01382	2.5
84.02172	3.4
85.02946	100.0
86.03300	1.7
87.00862	2.5
89.02434	5.0
98.20628	1.3
101.02451	1.9
103.00368	1.8
111.00874	4.7
113.02434	1.1
115.00346	1.0
119.03497	0.8
129.01956	8.4
133.01421	3.8
133.10040	0.6
134.03752	8.3
147.02989	10.7
149.02448	0.8
156.37332	0.8
164.04713	0.8
173.00900	2.6
174.01692	2.4
174.23555	0.8
191.01962	33.7
192.02278	1.6
193.05075	3.7
205.03514	0.9
209.03008	58.0
209.06554	2.4
210.03389	0.9
223.04530	3.9
319.76013	0.8
325.09290	1.5
385.11520	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	384.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.1
59.01378	4.2
61.98827	100.0
64.30523	0.3
67.02135	0.2
67.66083	0.2
68.99825	0.3
71.01379	1.6
71.53231	0.4
72.99287	1.3
73.02942	0.4
75.00867	9.4
83.01394	0.5
84.02174	1.8
85.02943	6.0
87.00885	0.6
89.02460	0.5
96.96014	0.8
99.00886	0.6
99.04506	2.3
101.02433	0.8
111.00900	0.4
113.02466	0.8
117.03505	0.5
121.02953	0.6
129.01993	0.7
134.03749	4.4
142.01633	0.4
143.03555	0.3
147.02948	0.4
148.05310	0.3
149.02420	0.4
149.06035	0.4
153.50273	0.3
157.01399	0.3
161.04599	0.5
163.07680	0.6
163.36505	0.2
166.06284	0.6
173.04596	0.3
179.07124	0.8
180.07501	0.9
181.08720	1.1
191.01955	1.4
191.05653	1.0
191.95978	0.2
193.05048	3.6
209.03165	0.8
209.06641	18.3
223.04491	0.5
284.03323	0.6
285.04044	4.3
286.04526	0.8
325.12967	1.7
343.13889	1.4
384.08801	4.4
384.13107	0.3
384.59140	1.4
385.11398	0.9
385.19141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.1
59.01381	4.2
61.98825	1.2
71.01385	2.0
71.53683	0.7
78.28311	0.5
79.95733	0.5
83.05031	0.8
85.02933	0.7
88.98814	4.7
89.02433	1.3
91.03989	2.8
97.06580	2.0
101.02436	0.9
111.08163	1.7
113.09736	1.9
115.07618	0.8
125.06065	1.0
127.07616	0.5
139.11276	0.6
141.09181	1.1
153.12872	0.8
162.92549	2.3
165.12863	3.5
167.10689	0.6
167.14421	0.8
181.12346	2.5
183.13936	1.4
193.12328	1.7
195.13904	1.8
197.11815	2.8
211.13322	3.0
213.14891	0.9
221.15446	2.2
229.14627	0.6
240.13634	0.9
247.20659	4.1
263.20129	0.9
273.18604	2.9
281.21228	1.4
285.03900	0.8
291.19647	34.0
292.19958	3.6
309.20700	100.0
310.21057	9.8
311.22253	0.8
314.17206	1.2
323.09573	0.7
341.10492	0.8
383.24414	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	383.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45788	0.9
58.00561	1.3
58.61125	0.9
59.01374	11.4
61.98825	2.5
69.03436	1.7
69.93243	3.7
71.01363	3.9
73.02946	1.1
75.00926	1.0
80.67918	0.9
83.04974	1.0
85.02952	1.3
89.02438	8.2
91.03456	2.1
91.04002	28.3
95.28093	0.8
97.02916	1.2
97.06589	1.0
100.17514	0.8
109.06548	2.0
111.08155	35.3
112.08437	1.1
113.02464	1.0
127.07613	2.5
137.09811	1.3
151.11285	1.9
153.12822	2.6
154.70074	1.0
163.11188	1.2
165.12749	1.5
169.12305	9.1
171.10298	1.4
178.08586	0.9
179.10791	1.1
181.12291	3.1
183.13870	3.0
193.12273	1.2
197.11813	98.0
198.12132	5.7
199.13342	6.6
210.40955	1.0
211.13394	11.3
227.12804	3.0
263.20123	9.4
265.18051	2.8
273.18515	3.7
285.03912	1.3
291.19626	51.3
292.20013	3.4
292.68979	1.0
309.20679	100.0
310.21021	10.6
356.84314	0.9
383.24274	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	383.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99820	0.8
57.03431	1.4
59.01379	11.4
61.98822	2.1
63.28396	0.9
66.58850	0.8
69.03445	1.6
71.01379	3.2
73.63730	0.9
83.05018	1.0
87.00853	1.2
89.02445	5.6
91.04004	17.8
93.07105	0.9
94.94660	0.8
97.02936	2.7
97.06575	1.2
102.49394	1.0
109.06560	1.2
111.08150	40.9
112.08493	1.2
113.02402	1.0
137.09729	1.4
151.11322	1.4
153.12862	2.1
165.12857	3.1
169.12343	7.5
171.10286	2.2
179.10730	1.0
183.13916	1.1
192.37112	1.1
197.11818	96.5
198.12134	6.4
199.13371	5.8
209.11775	1.6
211.13383	8.7
227.12912	7.4
245.86934	1.0
247.16843	1.3
247.20654	2.0
263.20190	5.8
265.18042	4.0
273.18512	2.8
291.19644	53.6
292.19937	4.6
297.10043	1.1
309.20685	100.0
310.21094	10.5
341.10577	1.2
383.24344	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93113	0.6
57.03436	2.3
59.01146	0.7
59.01381	7.3
61.98821	1.7
62.12166	0.8
62.25455	0.6
62.50729	0.7
64.45142	0.7
66.16055	0.6
69.80906	0.7
70.53845	1.7
70.54232	1.6
71.01386	2.0
75.64072	0.6
83.05038	1.6
89.02451	2.0
91.04032	4.7
95.05013	2.8
97.06583	0.9
98.20531	0.8
109.06544	1.0
111.08157	15.3
133.87868	0.7
137.09709	1.4
149.09647	1.1
167.10722	2.6
177.12805	4.2
179.10757	3.0
179.84232	0.8
195.12263	1.3
195.13881	10.4
203.14342	1.2
209.11771	1.5
231.21277	0.8
247.20702	3.9
257.19098	1.7
273.18625	2.8
274.19122	0.8
275.20142	24.8
276.20551	2.6
285.07532	1.4
286.08319	1.2
291.19659	100.0
292.19971	9.2
309.20563	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.1
59.01377	11.8
61.98827	5.6
66.47659	1.7
71.01366	3.4
71.07904	2.2
72.31585	1.4
75.00857	4.0
78.00533	1.5
89.02441	3.8
91.04009	6.0
95.05001	1.5
97.71479	1.4
101.02431	2.8
111.08157	14.2
137.09709	3.1
153.07434	1.6
167.10759	2.8
177.12830	3.4
179.10719	3.4
195.13908	10.7
247.20595	3.4
273.18698	1.9
275.20163	29.0
276.20331	2.1
291.19653	100.0
292.20010	9.4
311.98468	1.5
341.10818	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.8
59.96720	1.7
60.97511	1.1
61.98824	1.9
70.00126	3.7
74.99070	25.8
75.96220	2.2
82.03055	1.0
88.38400	1.0
89.77480	1.0
90.42915	1.1
91.02209	43.2
93.00135	10.9
143.05330	1.6
148.59679	1.1
149.00972	1.1
159.08464	100.0
160.08749	5.3
161.06389	12.2
193.61493	1.0
197.69193	1.0
198.78235	0.9
365.11008	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01728	0.8
61.98835	2.2
71.01382	2.7
73.02954	0.8
85.02969	1.4
89.02441	1.1
99.00874	0.7
101.01898	0.6
101.02432	2.9
113.02502	1.4
121.64434	0.5
126.71559	0.5
129.31805	0.5
161.04622	2.2
197.67024	0.6
237.11261	0.6
251.17276	0.6
321.19168	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	381.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27549	1.4
53.32383	1.2
59.01378	100.0
61.98830	3.4
65.42443	1.2
65.92461	1.2
69.72772	7.6
72.72214	1.4
73.24387	1.5
76.54829	1.2
81.89220	1.4
94.09527	1.2
96.15088	1.3
162.97935	1.3
313.58374	1.5
381.09824	3.0
403.17856	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74283	0.3
58.45956	0.3
59.01378	100.0
60.01717	1.2
61.98830	0.8
71.01379	0.7
71.51709	0.5
83.49965	0.3
100.71245	0.4
109.98669	0.4
124.53549	0.4
216.63092	0.3
248.12518	0.4
322.27686	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
59.01376	1.6
70.41212	1.3
71.01379	1.4
77.00123	0.4
85.02946	7.7
87.00854	2.8
88.04022	0.8
92.92642	0.4
93.03460	2.4
98.20010	0.6
99.04517	0.6
109.02972	0.9
111.04517	0.9
113.02431	0.6
127.04015	1.6
133.05022	2.1
173.04524	0.9
185.87184	0.6
191.05608	100.0
192.05943	4.6
204.08769	1.3
249.06120	1.8
335.82101	0.5
383.11975	1.3
396.61142	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69893	0.8
57.03450	2.1
59.01375	13.1
59.95635	0.9
65.34716	0.9
68.99821	1.5
69.03452	1.4
70.17578	1.6
70.17961	1.8
71.01378	24.6
72.99314	2.9
73.02924	1.9
75.00866	8.9
81.03436	1.2
83.01392	1.0
85.02941	12.7
87.00874	16.7
87.04519	1.8
89.02440	12.6
93.03406	1.1
94.15421	0.8
95.01400	2.8
99.00859	5.6
101.02442	1.8
103.00362	1.6
113.02444	13.4
115.00396	1.4
117.01945	2.3
119.03514	0.9
133.05060	100.0
134.05388	2.9
134.39854	0.8
161.04518	1.7
175.02359	0.9
191.05576	7.4
231.05066	1.8
249.06133	77.8
250.06517	2.9
267.07095	2.7
339.09058	1.6
341.10703	1.0
383.11914	49.6
384.12177	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	381.0976
Annotation	Rikuzenol
Peak:m/z	Relative Intensity
51.88596	0.8
55.49498	0.7
57.03461	3.7
59.01374	3.3
61.98819	0.9
65.03947	0.8
74.19808	0.6
79.05539	0.6
80.91694	1.0
83.01397	3.4
93.03475	1.7
97.02923	1.0
108.06015	0.6
108.06829	0.7
109.02933	2.5
111.08162	1.9
112.97121	0.6
114.57343	0.7
119.08643	1.6
121.02933	3.1
123.00758	0.6
124.01632	1.6
125.02444	22.4
137.02454	6.1
149.02437	2.3
156.05760	1.2
157.06580	0.8
158.03687	1.8
161.02444	2.0
163.00366	1.0
165.01950	6.7
171.08099	1.4
172.05295	2.1
173.06181	1.1
174.03259	3.6
181.06549	1.2
183.04498	1.8
184.05240	1.3
184.41357	0.7
186.03236	4.2
187.03937	1.5
187.07611	7.4
189.09148	1.8
196.05206	1.4
197.06033	2.3
197.11809	8.7
198.03178	0.9
199.03989	2.6
199.07660	2.7
200.04698	1.9
200.08311	0.7
206.02104	3.1
206.24623	0.7
209.06076	0.9
211.07707	1.3
211.13319	1.4
212.04753	1.0
213.05544	1.1
215.07097	28.0
216.07443	1.7
225.05566	2.1
225.09210	1.3
227.03510	2.0
227.10754	2.3
228.07921	1.1
237.05540	0.9
243.04099	1.3
243.06590	25.8
244.06956	2.3
249.09126	1.0
251.10712	1.5
252.07896	0.7
253.08603	1.3
254.05682	1.5
255.06615	1.1
267.10083	1.5
269.08170	2.9
269.11594	1.2
271.09842	1.6
279.06430	1.0
281.11716	1.3
282.05313	1.5
285.11502	1.0
291.19635	1.4
294.09097	1.7
295.09665	6.0
296.10019	0.9
297.07657	3.0
309.11148	1.4
309.20642	5.0
313.10706	3.2
318.35513	0.8
319.09711	1.3
322.08328	1.0
337.10788	18.6
338.11133	2.0
363.08823	2.3
381.09741	100.0
382.10080	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	380.1559
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
59.01380	16.8
66.49634	0.4
70.82056	0.7
70.82384	1.0
71.01382	31.3
71.05015	5.7
72.01694	0.6
78.41280	0.5
79.95538	0.5
83.01362	0.9
85.02949	2.4
88.04040	4.3
89.02441	7.4
97.64809	0.6
99.00899	0.5
99.04496	2.0
101.02447	7.6
113.02459	3.7
116.03513	0.6
116.07162	1.6
119.03507	2.6
128.07162	2.5
129.05603	0.8
146.08229	55.4
147.03360	0.5
147.08554	2.1
161.04588	1.3
173.08290	0.6
174.11310	0.8
199.32455	0.6
200.09294	1.2
218.10320	0.7
291.41562	0.5
308.13440	4.8
362.14407	1.5
380.15601	100.0
381.15948	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	380.156
Annotation	cis-Zeatin-O-glucoside
Peak:m/z	Relative Intensity
52.22297	0.6
57.03419	1.0
58.00578	0.7
58.02957	0.6
59.01376	20.5
59.99559	0.5
60.01681	0.8
63.97523	0.6
64.00726	0.5
65.46304	0.6
66.20831	0.7
66.21178	0.6
70.23303	1.1
71.01379	38.3
71.05022	7.3
72.01691	0.9
72.99290	1.2
73.02924	1.8
75.00874	0.9
83.01377	1.4
85.02941	3.7
87.00865	3.7
88.04041	4.8
89.02440	13.5
90.02757	0.8
95.01380	1.2
96.95990	0.9
98.19982	0.8
99.00851	1.3
99.04516	2.0
100.26643	0.6
101.02445	8.7
112.98778	1.1
113.02444	5.0
115.02031	1.7
116.03507	0.9
116.07124	1.5
117.01807	0.6
119.03484	3.1
128.03534	1.0
128.07152	2.8
131.03500	0.6
133.05061	31.9
134.05373	1.3
145.01366	0.9
146.08224	59.3
147.08524	2.4
159.04654	1.5
160.05032	0.9
161.04509	1.7
174.07619	0.8
179.05615	1.3
191.05571	1.5
200.09213	1.0
201.03833	0.6
214.62476	0.7
218.03372	0.9
218.10355	1.0
231.03122	0.6
235.54723	0.7
263.05838	0.9
264.06241	1.7
296.07193	0.7
308.13419	6.2
342.11176	5.9
362.14456	1.5
380.10718	16.9
380.15509	100.0
381.11200	1.9
381.15811	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	379.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59501	0.6
59.01376	100.0
60.01706	1.4
61.98835	0.6
69.36627	1.1
69.37041	3.5
71.01395	2.0
73.02940	2.5
83.01379	1.0
85.02951	0.6
88.98811	4.4
89.02464	1.6
94.82469	0.5
101.02439	3.7
113.02467	2.1
128.18228	0.5
130.96957	0.5
161.04665	1.8
195.84895	0.5
276.33646	0.6
319.14200	1.2
379.16281	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90807	0.6
57.03436	0.7
59.01379	100.0
60.01706	1.2
61.98836	1.9
63.77283	0.6
71.01380	12.2
71.53423	1.1
73.02952	2.4
75.00853	0.7
80.68604	0.6
83.01398	1.5
85.02943	3.2
87.00898	1.3
88.98806	1.2
89.02444	12.5
96.96004	0.8
99.00893	0.6
101.02451	10.3
101.06120	0.9
111.00922	0.6
113.02451	5.7
113.09957	0.7
115.07656	0.9
119.03467	4.9
143.03487	1.0
161.04553	5.8
174.81274	0.6
179.05649	2.5
181.05043	0.7
217.14496	0.7
243.17204	0.6
281.03058	0.6
319.17593	27.7
319.21350	1.4
320.17834	2.8
379.15274	1.1
379.19763	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	378.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10695	0.3
59.01371	0.5
59.84977	0.3
61.98828	100.0
69.83070	1.4
78.49295	0.3
98.20625	0.6
150.20068	0.3
153.28201	0.3
175.76888	0.3
205.52205	0.3
211.53049	0.3
293.21301	0.5
341.09641	0.9
378.18939	4.6
379.19308	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	47.6
60.99305	13.3
61.03160	1.0
71.01374	4.5
72.99287	1.4
73.02927	1.7
75.94232	1.0
83.01419	1.1
85.02938	2.5
88.98801	100.0
89.02434	3.5
101.02452	2.5
109.02932	1.2
119.03481	1.2
130.76042	1.2
140.35597	1.0
181.04912	1.3
199.09763	1.2
229.15254	1.2
289.07138	2.6
319.13931	3.4
379.15900	7.0
379.23434	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1606
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.10649	0.8
57.03434	2.7
58.00598	1.1
58.49361	1.0
59.01374	77.5
61.17141	0.9
61.98801	1.0
62.72672	0.9
64.20184	1.0
71.01377	23.8
71.52779	1.4
72.99303	2.1
73.02950	1.6
82.86221	0.8
83.01377	1.8
83.05020	2.7
85.02953	6.9
86.97002	1.0
87.00866	1.7
88.98773	1.2
89.02436	21.4
90.88535	0.9
92.23626	0.8
101.02435	16.7
109.02950	1.3
112.42169	1.1
113.02439	10.7
119.03486	9.7
119.08410	0.9
121.02955	2.2
131.03467	1.1
137.09703	9.4
150.03264	1.1
154.15031	1.1
155.10764	26.5
157.08649	4.8
161.04541	3.5
179.05582	2.4
179.07100	9.3
181.08708	3.6
185.87555	1.0
199.09723	43.7
200.10040	2.2
212.21150	1.0
217.10840	4.5
319.13980	3.7
319.17288	1.2
337.18484	1.4
341.12363	2.1
343.13647	1.3
379.16022	100.0
380.16394	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	377.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	24.9
59.01379	69.3
61.98832	8.6
65.49193	4.3
69.37465	31.8
71.01385	23.7
73.02947	5.3
85.02942	14.0
87.00880	5.8
89.02455	17.8
101.02428	8.8
113.02469	8.5
121.02972	18.7
129.01888	4.2
135.04570	5.6
153.09167	4.9
163.38516	4.3
179.05576	6.8
179.07117	100.0
179.43230	4.5
180.07298	6.6
184.24673	4.6
207.82051	5.0
209.78276	4.1
234.70552	4.4
341.12500	20.7
375.10779	4.6
377.22031	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	377.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70779	1.4
59.01378	100.0
71.53728	1.4
89.29314	1.4
122.42627	1.4
211.13390	16.2
239.03465	4.2
267.02924	3.8
282.05334	12.4
285.17090	5.6
297.07663	15.9
303.21201	2.1
308.75238	1.7
341.12042	1.7
377.03311	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	378.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.12214	2.8
61.98826	23.1
62.39610	3.0
69.32965	24.9
71.01389	35.7
72.00902	3.0
72.49345	2.7
73.02940	4.8
74.27615	3.2
77.33718	2.7
80.05034	8.1
80.87865	2.6
82.02967	5.2
83.01370	3.4
85.02948	11.6
89.02438	41.0
95.01407	5.9
96.96017	6.9
98.19936	7.0
101.02427	19.0
112.04059	8.3
112.07680	47.5
113.02442	26.4
114.05609	6.5
119.03482	17.6
124.03214	3.9
124.04039	35.5
125.02474	4.2
126.05613	3.9
142.05075	37.8
143.03531	7.4
156.06651	37.0
161.04512	13.1
172.06142	5.1
179.05576	13.8
194.08054	3.0
197.04596	3.4
198.07700	5.5
210.48360	3.3
228.08742	4.7
258.09827	5.7
318.11871	3.8
319.68683	3.4
341.10883	5.6
342.11172	5.3
358.76251	3.2
378.14444	3.7
379.08029	4.1
379.16370	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	375.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01706	0.9
61.98816	0.5
69.78873	2.5
71.01380	2.9
73.02928	0.8
85.02971	1.2
86.98169	0.4
89.02478	0.9
95.46642	0.4
99.00932	0.4
101.02462	1.8
113.02435	1.1
146.17970	0.4
161.04541	2.5
315.18179	1.6
334.20178	0.5
375.27493	2.1
376.27673	0.7
382.90268	0.5
391.30176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.5
60.24080	1.1
69.38709	10.3
69.41359	1.3
80.96474	1.3
95.05024	34.0
98.20659	2.3
99.92570	1.7
154.85301	1.4
173.64536	1.3
174.79506	1.3
179.14172	1.4
195.13911	11.4
223.13441	8.2
246.12332	13.5
256.13150	2.8
275.20209	5.0
278.11322	77.3
279.11630	4.7
293.21216	100.0
294.21552	10.1
296.16260	1.4
315.19348	20.7
316.19717	1.8
338.12183	5.8
375.21573	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	376.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64990	0.7
55.16941	0.6
59.01379	11.7
61.98829	100.0
66.28451	0.6
71.01383	4.3
71.52785	0.8
72.99316	1.1
73.02939	1.0
75.00890	1.7
82.83794	0.7
85.02968	2.3
87.23975	0.7
88.04061	1.0
89.02466	3.3
93.03481	1.5
96.95986	0.8
96.96961	0.8
98.76508	0.8
99.00932	0.7
99.04570	0.7
101.02460	2.3
111.54198	0.8
113.02480	2.1
119.03532	1.5
129.01909	0.7
129.94368	0.7
135.04556	1.3
136.04124	0.9
138.30563	0.6
142.62088	0.6
151.04010	1.9
161.04562	1.0
163.03993	0.9
167.03751	0.6
179.03578	1.2
215.03284	0.8
269.48581	0.9
304.10284	0.8
313.09247	7.1
314.09741	0.8
341.11002	1.9
344.07977	1.0
376.10434	0.7
376.11945	0.7
377.08960	2.1
377.14651	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80026	0.6
55.01859	2.2
55.15575	0.5
57.03442	1.1
58.00582	1.9
59.01379	48.0
66.78437	0.6
69.33643	4.7
71.01377	23.6
72.99306	1.9
73.02946	1.3
75.00859	3.8
77.79482	0.6
83.01387	2.4
85.02937	6.5
89.02441	18.7
95.01385	1.8
96.61219	0.6
101.02441	14.0
108.85159	0.6
113.02443	7.1
119.03501	6.3
129.01932	1.1
136.90942	0.6
146.97275	0.6
147.03012	1.0
165.04033	6.8
165.12814	5.9
183.13887	20.0
195.13882	11.1
196.14207	1.0
213.14984	3.5
227.12874	17.5
228.13246	1.5
369.05600	0.7
375.16541	5.3
375.20258	100.0
376.20554	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	375.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.6
57.03444	4.9
58.00592	4.1
59.01377	100.0
60.01727	1.6
61.98832	1.7
62.79465	1.0
65.03347	1.2
69.03453	2.0
69.35506	8.1
71.01379	88.4
72.99306	3.8
73.02941	17.5
73.66763	1.0
75.00891	1.2
81.93462	1.1
83.01383	13.7
83.43911	1.3
85.02950	31.4
86.03309	1.4
87.00887	5.0
89.02444	58.5
95.01401	6.3
99.00871	6.9
101.02439	72.0
113.02446	33.8
113.09712	1.2
119.03494	29.5
120.03889	1.7
125.02408	1.9
127.11266	3.4
129.01985	1.7
131.03554	2.5
137.79698	1.4
143.03487	6.3
149.04561	1.7
149.13365	1.2
159.03004	6.0
161.04547	27.3
161.54372	1.3
165.71652	1.2
179.05595	3.7
209.11824	1.2
323.31033	1.2
331.21237	16.1
332.21552	1.5
375.20245	43.5
375.27374	13.2
376.20685	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	375.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
70.82186	0.7
70.82502	1.3
74.99052	2.9
100.38529	0.6
143.05374	0.8
159.08466	11.8
161.06377	2.0
209.01193	2.5
217.07121	1.4
275.05963	0.9
277.07516	2.7
279.23422	0.8
289.07477	1.5
291.09079	94.7
292.09149	11.0
303.96283	0.6
352.85004	0.6
357.13602	1.5
359.15323	100.0
360.15488	15.8
375.18460	10.2
376.18576	1.3
377.16849	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.202
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05973	2.8
59.01378	100.0
60.92397	2.3
61.98830	12.5
71.53272	3.2
78.22921	2.7
147.04515	8.6
148.04861	5.1
164.07159	23.0
165.07513	11.5
167.64865	2.6
217.60706	2.7
375.19745	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	375.202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01704	1.2
60.32345	0.6
61.98830	2.6
63.96237	3.0
69.33841	5.2
78.03497	0.6
79.95736	6.7
96.96011	1.1
98.67263	0.6
147.69339	0.6
165.12885	2.8
183.13954	1.2
191.07413	1.0
208.20544	0.8
218.55301	0.7
252.00020	0.7
295.22876	1.7
356.83395	0.6
375.18222	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45398	0.7
61.98831	1.0
70.34990	1.2
71.36252	0.6
71.42561	0.6
73.40684	0.6
74.99066	3.4
143.05350	0.9
159.08470	10.4
161.06380	3.4
209.01277	1.8
217.07169	1.3
253.50847	0.6
260.61835	0.6
277.07458	3.7
289.07571	2.3
291.09100	98.0
292.09192	13.0
309.10446	0.8
357.13812	2.3
358.14233	0.9
359.15335	100.0
360.15527	15.0
375.18445	9.8
376.18674	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63515	0.6
55.01878	8.1
57.03438	1.1
59.01384	4.9
60.99318	0.8
61.82866	0.6
61.98828	1.0
63.38435	0.5
70.63889	1.2
70.64225	1.1
71.01379	3.9
73.02937	1.0
74.59808	0.6
75.00863	10.5
75.01246	0.8
85.02939	3.3
85.44458	0.5
88.98814	4.3
89.02439	2.9
101.02459	2.0
108.59426	0.8
111.08169	2.2
129.01962	3.7
130.88022	0.5
147.03001	6.9
149.54195	0.6
165.04039	18.6
165.12840	26.0
166.04367	0.7
166.13216	1.2
183.13889	100.0
184.14244	6.8
195.13904	5.2
209.11876	2.5
213.14943	43.4
214.15329	3.6
221.19073	2.9
227.12875	82.9
228.13181	6.6
265.18143	2.5
283.19049	2.5
285.03940	2.9
286.04193	0.7
301.20221	4.7
357.15488	0.7
375.16495	35.6
375.23526	4.9
375.27582	1.0
376.16858	3.4
391.62433	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12763	0.4
55.01867	1.1
57.03447	2.3
58.00592	0.5
59.01380	27.9
60.01727	0.6
60.77419	0.4
61.98805	0.4
71.01380	13.1
71.53297	0.4
72.99294	1.9
73.02947	0.8
75.00859	3.4
76.22912	0.4
81.03424	0.4
83.01390	1.5
85.02947	15.7
87.00870	1.6
89.02444	9.3
93.03448	0.6
95.01387	1.6
99.00884	1.3
101.02444	6.9
108.02132	0.5
109.02957	1.3
111.00894	0.6
113.02456	4.8
117.03455	0.8
119.03484	2.3
121.02992	0.6
123.00855	0.6
123.04487	0.5
123.28093	0.4
125.02442	1.3
129.01939	1.2
137.02429	4.5
138.01936	1.4
138.03081	0.5
140.03441	0.5
146.04623	0.5
147.02965	1.6
149.02386	1.2
150.03206	0.6
151.00348	0.7
153.00656	0.6
153.01900	0.4
165.01891	0.5
165.05571	0.8
166.01422	1.2
166.02708	0.6
167.02193	1.8
167.03510	1.4
180.01733	1.8
182.00945	0.5
183.00461	1.9
191.01979	5.3
195.00443	0.9
195.06581	0.4
196.01239	14.6
197.02029	24.3
198.02318	1.4
205.05009	1.3
210.99893	0.8
212.00941	0.6
213.01517	22.0
214.01819	1.0
225.01480	0.7
227.12758	1.9
228.00226	6.0
237.01492	1.5
239.03297	0.5
255.02521	3.9
259.07031	0.8
265.73920	0.4
267.02628	0.9
268.03708	2.0
269.04510	15.8
269.12988	0.6
285.03665	0.9
287.10330	0.8
313.08075	0.5
315.04660	1.9
318.99118	0.5
331.09247	0.5
357.13806	0.7
375.06784	100.0
376.08521	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	375.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.3
57.03444	4.3
58.00594	2.5
59.01377	100.0
60.01723	1.1
60.42299	1.1
64.27767	1.1
67.17413	1.0
70.40163	1.0
71.01379	56.5
72.99303	4.3
73.02946	7.2
75.00867	10.6
81.03475	1.3
83.01392	5.8
85.02943	24.9
87.00864	5.5
89.02442	54.9
95.01411	3.4
97.02993	1.2
99.00877	3.5
101.02439	40.5
103.00465	1.3
108.15631	1.1
109.02950	1.1
113.02446	25.8
117.03478	3.0
119.03498	29.8
125.02451	3.1
131.03479	2.8
134.01897	1.6
137.02487	2.7
138.03247	2.4
143.03500	4.3
149.02505	5.6
149.04514	2.5
150.03229	1.4
159.03033	1.5
161.04549	4.8
165.01950	1.4
165.05595	3.9
167.03514	3.4
177.09225	2.7
179.05600	6.4
191.01984	2.0
195.06601	1.0
205.04918	1.6
209.11835	1.4
268.03760	7.8
269.04532	55.4
272.06177	1.1
312.09955	1.6
327.12250	5.2
331.17542	2.3
357.15680	8.1
375.16611	85.6
376.09006	44.6
376.16345	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	374.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45477	2.7
59.01363	8.0
61.98827	100.0
70.92592	2.7
70.92922	5.2
125.33056	2.4
209.97469	3.4
293.21207	5.7
358.01315	12.7
359.01105	3.7
374.04739	2.4
375.21539	4.0
378.26816	2.5
380.27390	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	374.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	3.7
61.63179	0.8
61.98829	100.0
69.72099	5.0
80.99419	0.8
85.20438	0.8
99.99071	0.7
160.49260	0.9
175.28723	1.0
229.30739	1.0
232.10899	4.2
278.67349	0.8
289.18048	1.3
348.86447	1.1
374.24435	53.4
375.24753	7.3
388.66348	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.2
60.99312	15.7
61.30738	1.1
62.43437	1.0
71.01382	4.5
71.53718	1.2
76.15237	1.1
88.98803	100.0
89.02454	2.2
89.99135	1.8
91.89704	1.3
101.02450	2.6
102.66297	1.1
104.71547	1.1
107.01397	1.6
125.81281	1.0
126.19538	1.1
133.02933	6.6
135.65271	1.2
151.00371	4.5
171.45337	1.1
175.04080	2.1
183.13737	1.7
221.18983	1.5
246.57599	1.2
265.18027	1.6
283.19177	2.6
285.04016	68.7
286.04367	7.8
290.76062	1.2
301.20078	1.6
375.20154	10.3
375.27591	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	373.1866
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01893	0.4
57.03444	0.7
58.00598	0.5
58.97925	0.3
59.01377	100.0
60.01710	1.1
71.01382	9.9
71.54121	0.5
72.01727	0.4
72.99326	0.4
73.02940	2.6
83.01399	1.5
85.02946	3.3
87.00914	0.5
89.02428	3.7
89.02842	0.3
95.01390	0.4
99.00885	1.0
99.04474	0.3
101.02441	6.6
113.02435	4.2
119.03497	1.1
125.02488	0.7
125.44978	0.3
125.73493	0.4
137.09639	0.4
151.05159	0.5
159.03069	0.4
161.04544	5.3
168.77092	0.4
169.06157	0.7
179.10843	1.0
193.12344	1.9
211.10287	0.3
223.64220	0.3
237.11261	2.5
241.10919	0.6
250.54221	0.4
275.07019	0.8
275.99774	0.4
327.14392	0.8
331.17596	4.8
355.13898	0.8
373.15018	1.2
373.22336	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.6
61.98823	0.4
71.01375	1.1
71.53077	0.5
85.02954	0.4
89.02451	0.4
101.02435	0.6
119.03485	0.4
122.03724	6.7
125.02436	0.5
136.04053	0.4
137.02460	0.9
150.32704	0.3
152.03523	100.0
153.03853	4.0
182.22292	0.4
194.04510	0.5
357.13660	0.4
375.16232	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	24.3
61.98830	100.0
69.68363	5.3
69.68779	2.4
98.20565	2.3
146.17097	1.2
238.64700	1.4
294.30182	1.2
329.92175	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06377	2.5
59.01371	12.1
61.98828	100.0
70.67531	7.9
75.00845	2.9
93.74493	3.0
95.69718	3.3
107.47254	2.8
155.62569	3.0
175.01169	2.5
190.45462	3.2
330.41467	2.9
375.26508	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	374.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86546	1.8
59.01372	3.4
61.98827	100.0
70.50060	3.1
70.50362	2.3
74.44535	1.8
82.67857	1.8
131.91452	1.8
135.58069	1.9
144.27930	1.9
145.19952	1.7
257.12219	2.1
293.43756	2.1
314.64423	2.3
373.23727	2.0
376.80072	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.9
57.03429	5.3
58.00573	4.1
59.01376	100.0
60.01707	1.2
63.07010	1.0
69.03437	1.1
71.01378	63.7
71.53594	1.4
72.01714	1.3
72.99287	5.2
73.02939	11.9
83.01378	7.7
85.02940	18.5
87.00859	4.1
88.04030	2.8
89.02437	46.2
95.01381	5.0
99.00852	3.9
101.02435	46.7
101.03112	2.6
113.02443	28.5
119.03484	20.0
125.02450	1.3
131.03462	1.9
137.02420	1.8
143.03479	2.8
147.97621	1.3
149.04456	2.1
149.13336	1.7
159.02969	3.3
161.04543	15.8
164.07054	1.5
169.12448	1.3
179.05559	3.0
185.11690	1.3
251.16257	1.3
259.23825	1.2
269.09787	2.1
329.19553	5.5
331.17554	3.2
373.11398	1.8
373.18585	36.8
373.25806	15.8
374.18967	3.6
374.25961	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	373.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91734	0.8
55.01872	1.6
57.03438	1.9
58.00585	3.0
59.01379	100.0
60.01695	1.4
62.51443	0.8
71.01379	44.8
72.01740	0.8
72.99299	4.2
73.02938	1.8
79.95723	1.5
81.03045	0.8
83.01377	2.2
85.02952	9.3
87.00867	3.2
89.02444	54.2
95.01382	3.6
99.00855	1.2
101.02441	28.8
102.02753	1.0
113.02454	18.3
119.03502	26.2
131.03482	3.1
132.86960	0.8
133.24841	0.9
143.03476	3.6
147.11812	1.2
149.04559	2.1
151.05138	2.0
161.04546	3.9
164.70172	0.8
169.06233	1.9
179.05618	5.5
186.90465	0.8
193.12332	21.9
194.12694	1.1
249.08867	1.0
275.07007	1.7
312.08420	0.8
331.17557	2.6
373.13797	1.6
373.18613	19.0
374.18878	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	373.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72422	0.4
54.32784	0.5
55.01884	0.5
57.03431	0.5
59.01379	100.0
60.01718	0.9
62.24304	0.4
65.82130	0.4
69.54473	2.3
71.01378	8.1
72.99301	0.5
73.02949	6.4
81.03465	0.6
83.01405	2.1
85.02960	2.4
89.02434	2.9
92.00417	0.4
94.21499	0.4
95.05022	0.5
97.02951	0.5
101.02433	5.9
113.02448	3.4
119.03517	0.6
125.02471	2.0
131.03522	0.5
132.04570	0.9
137.02452	1.3
150.78593	0.5
151.06371	0.4
152.07178	1.4
161.04567	1.8
167.03397	1.0
200.30519	0.4
231.02588	0.4
231.06773	0.7
309.37222	0.4
327.12350	0.6
329.11615	0.5
331.17780	1.5
338.51712	0.4
341.11600	1.0
355.12094	0.8
373.13055	1.5
373.18634	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1864
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
52.87864	0.3
55.01873	0.5
57.03440	0.5
59.01377	100.0
60.01721	1.0
65.89372	0.3
71.01376	7.4
72.01738	0.4
72.99313	0.4
73.02939	2.5
81.03448	0.6
83.01372	1.7
85.02941	2.3
89.02437	4.3
95.01408	0.9
99.00915	0.9
99.04550	0.4
101.02441	4.8
107.71896	0.3
109.02974	0.3
113.02439	3.5
119.03500	1.7
124.01724	0.4
125.02445	1.8
137.02438	2.8
138.03268	0.4
141.05544	0.3
143.03528	0.6
145.70509	0.3
150.03215	0.4
161.04553	3.5
165.01933	0.4
166.02739	0.5
167.03508	1.3
169.12224	0.3
179.05620	0.7
181.01427	1.2
184.04202	0.3
195.02997	0.4
200.28856	0.3
211.06108	1.9
219.87184	0.3
220.45396	0.3
283.13458	0.6
301.11078	0.4
320.52829	0.3
331.17545	5.1
332.17877	0.5
345.13599	0.4
355.11990	0.8
373.12860	3.4
374.13211	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1686
Annotation	Hydroxyzine
Peak:m/z	Relative Intensity
59.01369	3.7
60.72120	0.9
61.98810	3.4
63.09545	1.0
63.96233	45.1
65.87003	1.1
70.00156	4.0
71.01355	1.7
79.95733	100.0
80.96521	7.8
82.24187	0.9
83.01369	3.4
96.96007	9.2
111.08191	1.2
117.69422	1.1
119.78595	1.1
121.02927	1.7
132.99632	6.3
151.03990	1.4
170.23999	1.0
183.13881	28.0
184.14258	1.8
189.05928	2.0
195.13892	4.0
197.11809	1.0
202.34409	1.1
210.31281	1.1
214.02933	1.1
223.13452	2.2
226.16251	1.1
232.92601	1.1
245.08568	5.9
247.10086	2.2
263.09579	6.7
291.19601	4.4
293.21234	36.5
294.21548	4.2
355.15778	5.9
373.16837	45.3
374.17218	4.4
389.82220	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.8
61.98829	100.0
71.53223	2.5
83.01386	36.3
84.01714	8.1
85.64268	1.6
98.08793	1.9
100.38621	1.8
121.02958	11.0
122.03289	3.3
123.00909	2.9
135.31477	1.9
136.05287	8.3
137.05606	4.1
153.43332	1.8
168.04269	4.7
357.13058	3.3
365.59210	2.0
372.15219	22.6
373.27441	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	373.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74259	0.3
51.35530	0.3
59.01382	3.0
63.69611	0.3
71.01372	0.7
71.06870	0.6
72.99306	0.5
82.00615	0.8
85.02952	1.7
94.79703	0.4
110.00092	7.3
111.00877	1.1
113.02451	2.2
115.09581	0.3
121.03004	0.5
123.00879	0.5
124.01627	0.6
125.02448	6.5
126.02813	0.4
136.01669	0.4
137.99583	8.1
139.00378	7.9
140.01164	0.8
149.02286	0.3
151.04053	0.6
152.01167	2.1
153.01927	100.0
154.02704	10.6
155.03444	1.4
161.04619	0.4
165.05470	0.3
166.02711	0.6
167.02153	0.6
167.03485	6.0
168.04269	42.9
169.05054	22.8
170.05347	1.0
173.82773	0.3
179.03505	0.8
181.05054	0.5
191.03593	0.4
193.05046	0.4
194.02174	0.3
209.04666	0.8
278.20642	0.3
281.06696	0.5
289.65372	0.3
307.49817	0.3
323.84961	0.4
373.11349	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	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.70193	1.5
63.66681	1.4
66.19639	1.3
69.01215	1.5
71.00874	3.8
83.01393	4.4
84.89715	1.5
115.47667	1.4
372.15131	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	372.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41345	1.1
61.98828	100.0
70.59400	3.5
75.85600	1.2
83.01376	19.6
84.01712	3.7
85.93494	1.0
105.91209	1.0
121.02950	3.8
122.03254	2.6
123.00849	1.2
136.05295	4.3
137.05644	2.6
168.04201	1.7
348.42773	1.1
357.12659	1.8
372.15277	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	372.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.14016	2.5
59.28930	2.7
60.35357	2.8
61.97979	2.5
61.98829	100.0
67.68513	2.4
70.65788	7.7
78.42645	2.5
83.01382	16.9
84.01693	3.4
84.58755	3.1
121.02930	3.2
136.05322	6.3
233.73065	2.7
237.72757	2.6
288.21112	2.6
340.59494	2.5
372.15402	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	371.1347
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
51.90970	0.3
55.01867	0.4
57.03432	1.2
59.01378	4.1
61.98823	0.6
65.00328	0.9
67.01870	0.3
69.04624	0.3
69.58099	0.5
69.58504	1.2
71.01373	2.4
73.02948	0.3
75.00875	0.7
75.67941	0.3
78.08842	0.3
80.50267	0.2
81.03459	4.8
83.01385	10.3
85.02950	1.4
87.00875	0.5
89.02422	0.5
98.20629	0.5
99.00884	0.3
99.08147	0.6
101.02378	0.6
101.06079	0.6
107.01378	1.2
111.08121	0.3
113.02439	0.9
114.06866	1.1
119.03492	0.3
121.02944	2.4
122.03746	2.4
123.00899	0.6
123.04555	0.5
123.08157	2.0
125.02438	7.4
125.06071	3.8
129.01889	0.4
134.03731	0.8
136.05302	2.1
137.02583	0.3
141.09164	0.4
149.02426	0.7
151.00388	1.7
152.01048	0.3
161.04520	0.4
165.09198	24.5
166.09538	1.3
167.03622	0.3
168.04272	1.2
177.04111	0.7
191.07129	0.9
193.05000	0.6
195.05074	0.9
205.08685	0.6
209.08177	100.0
210.08510	6.3
211.13544	0.4
233.08134	0.6
235.09729	0.6
239.10287	1.5
251.05518	0.4
251.09329	0.8
362.81134	0.3
371.10175	0.4
371.14893	4.4
371.24420	0.6
372.15350	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01344	1.4
61.98827	100.0
69.77586	5.8
72.79465	1.0
83.01360	3.4
84.01704	1.3
95.19262	1.0
129.83319	1.0
136.05319	1.2
137.26556	1.1
152.25764	1.0
260.54172	1.1
372.15366	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	372.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.0
61.98829	100.0
70.21822	0.4
71.37035	0.5
83.01379	9.8
83.05020	0.5
84.01724	2.4
89.89117	0.5
121.02979	1.6
123.00927	0.6
136.05275	2.4
137.05666	0.9
151.04054	0.5
168.04276	0.6
179.34872	0.4
184.42314	0.4
268.26813	0.5
357.13190	1.0
372.15228	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	371.098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	10.7
59.01377	22.2
61.95842	1.7
62.01763	2.0
67.89819	1.8
69.95184	6.6
71.01376	22.0
71.30419	1.8
72.99300	3.9
73.02929	2.0
75.00868	58.5
75.10934	1.7
83.01374	3.5
85.02947	24.7
87.00872	15.1
89.02423	7.6
97.02933	2.4
98.19974	3.7
99.00878	12.4
101.02422	3.2
104.77727	1.7
113.02419	4.6
117.03438	4.6
121.02963	18.5
129.01933	25.8
134.03732	71.9
141.01950	2.4
147.04478	2.0
149.06081	5.4
159.03024	10.3
160.01688	5.6
167.03488	3.4
175.03949	8.9
176.04738	2.9
177.04037	77.9
178.04297	4.7
191.07127	2.2
193.05037	58.1
195.05081	100.0
196.05415	4.8
234.97978	2.1
235.06075	3.1
249.06161	15.1
353.08685	4.3
359.80133	1.9
371.09805	85.9
372.10248	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	371.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37630	0.4
59.01377	100.0
60.01709	1.1
69.88564	1.6
77.30967	0.4
107.35267	0.5
118.42764	0.4
167.03481	0.6
195.33035	0.5
199.48036	0.4
247.78990	0.4
370.83087	0.5
371.13641	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09690	0.8
55.01883	1.7
57.03444	6.5
59.01371	8.6
68.99834	1.0
69.95996	3.9
71.01373	10.7
72.99303	5.5
73.02949	0.9
75.00867	22.9
83.01376	2.1
85.02467	1.1
85.02949	17.9
86.03266	1.2
87.00860	2.4
89.02433	4.1
89.03963	2.3
92.70017	0.8
97.02890	1.3
98.20647	1.6
99.00870	11.9
101.02423	1.7
106.04244	1.1
110.47892	0.9
111.00861	3.2
117.03468	10.0
122.70291	0.9
129.01938	23.6
130.02246	1.0
134.03732	100.0
135.04037	5.2
135.27721	1.0
141.01947	1.2
149.06110	8.0
159.02986	5.8
177.04047	21.1
178.02693	5.2
178.04236	1.9
193.05046	98.9
194.05435	5.9
195.05092	55.7
195.06474	0.7
196.05460	1.9
214.89597	0.9
225.05023	1.3
295.08157	0.9
302.27145	0.9
351.70258	1.0
371.09787	22.5
372.10068	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98309	1.2
55.01881	1.4
57.03446	13.2
59.01379	23.4
69.03452	2.4
71.01379	21.5
72.99299	4.2
73.02967	1.8
75.00867	50.7
83.01376	2.9
84.02158	2.7
85.02947	24.1
87.00871	18.2
88.67851	1.1
89.02437	8.0
99.00883	10.4
101.02436	4.0
111.00915	2.0
117.01954	1.7
117.03474	7.6
124.70145	1.1
127.53066	1.4
129.01942	25.7
130.02296	1.4
133.03008	1.3
134.03735	92.0
135.04102	4.9
141.01923	2.2
147.04443	1.7
147.49072	1.2
149.06055	7.1
150.84726	1.5
152.51669	1.4
159.03056	6.0
160.01645	4.4
161.07635	1.5
175.03984	6.0
176.04659	3.0
177.04030	98.3
178.02795	2.3
178.04372	3.5
180.92165	1.3
191.07092	2.8
193.05043	71.8
194.05367	3.4
195.05086	85.4
196.05534	2.9
207.06702	1.4
212.73904	1.4
229.11948	1.5
235.06035	3.1
295.08151	2.7
302.96606	1.5
316.69257	1.3
353.08704	4.7
371.09793	100.0
372.09982	8.3
392.89252	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
57.03438	4.4
59.01379	13.2
59.22388	1.0
59.23301	0.9
63.14837	1.1
65.37192	1.1
69.58280	7.0
69.58661	2.2
71.01381	11.6
71.92841	1.0
72.97276	1.0
72.99300	3.1
73.02927	1.4
73.24960	1.1
75.00871	41.5
81.79545	1.0
83.01382	3.7
85.02950	15.7
86.03279	1.3
87.00880	5.8
89.02431	6.2
89.03960	2.0
91.22845	1.3
97.23290	1.0
99.00883	8.4
101.02418	2.4
102.54451	1.1
103.63937	1.1
111.00876	3.4
117.03442	4.5
121.02941	2.1
129.01930	23.9
134.03738	76.1
135.04066	3.7
136.05298	1.5
137.02362	1.0
141.01852	1.5
149.06061	4.5
159.02994	10.8
175.03922	2.3
177.04037	34.3
178.02705	2.5
178.04269	1.8
193.05048	69.8
194.05385	4.2
195.05092	100.0
196.05415	3.9
210.72046	1.2
219.76080	1.1
231.85071	1.2
371.09775	31.1
371.13684	1.3
372.10178	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	371.098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46635	0.9
55.01880	1.4
57.03438	7.3
59.01377	9.7
68.25181	1.0
68.99827	1.1
69.64821	5.7
71.01373	12.2
72.99290	4.9
75.00868	23.8
83.01369	4.7
85.02953	26.1
86.03271	2.9
86.63730	0.9
87.00879	3.1
89.02425	5.8
89.03966	1.2
94.35386	1.0
99.00890	11.5
101.02437	1.4
103.86605	1.0
107.12367	0.9
108.02206	1.5
111.00882	4.1
117.03466	8.5
119.05006	1.0
129.01935	27.8
130.02252	1.5
134.03729	99.9
135.04086	4.1
136.05348	1.0
137.02449	1.8
139.09596	1.0
141.01927	1.0
149.06061	9.2
150.06323	1.2
159.02986	7.7
160.01631	1.3
167.03497	1.9
175.04019	1.4
177.04033	25.7
177.05563	1.8
178.02702	4.4
193.05035	100.0
194.05322	6.1
195.05083	71.7
196.05486	2.2
205.03551	1.0
207.03935	1.9
209.03024	3.0
223.04567	2.9
224.04901	1.5
225.04985	5.0
239.33072	1.2
279.51563	1.2
371.09756	26.5
371.13593	1.3
372.10132	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	370.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83597	2.3
55.01860	4.3
59.01377	20.8
61.98828	100.0
67.89087	2.5
69.26695	7.5
69.27123	15.4
79.95691	2.6
83.01384	94.1
85.02946	5.5
88.88560	2.4
121.02943	28.6
121.40987	2.6
123.00913	5.7
136.05312	29.2
138.43507	2.4
168.04250	14.3
190.71858	2.7
235.09799	4.4
241.25978	2.6
258.89828	2.9
258.93069	2.5
356.12650	8.0
358.04654	2.9
366.22128	2.9
370.22903	4.0
371.14914	45.0
386.51202	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	370.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.1
59.01373	10.0
61.98829	100.0
71.01389	2.1
75.22097	1.9
83.01385	69.2
85.02935	2.8
87.02564	2.0
93.03474	2.4
121.02959	17.6
123.00916	2.8
133.16324	1.8
136.05298	16.4
136.13864	2.0
168.04245	10.9
169.86104	1.7
235.09770	3.5
356.12735	5.2
371.14902	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.3
57.22393	0.4
58.00584	0.5
59.01378	5.2
61.44870	0.4
61.98827	5.4
65.80851	0.3
70.82083	0.3
71.01364	1.4
71.22504	0.7
85.02960	2.8
89.02438	2.1
89.34437	0.4
91.04002	9.3
92.46198	0.4
101.02441	0.5
111.00919	0.6
113.09714	1.9
129.01924	0.7
171.71597	0.4
177.12772	0.5
179.14346	0.8
181.12325	0.7
195.13898	14.0
196.14229	1.2
196.23074	0.4
205.03375	0.4
223.04610	2.0
227.09343	0.4
247.55258	0.4
277.21707	15.4
278.22073	1.8
295.22760	100.0
296.23126	10.1
314.01154	0.3
392.32318	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59393	0.8
55.01876	1.4
56.08210	0.8
59.01378	1.8
60.61414	0.9
61.98827	100.0
69.21136	9.2
82.14491	0.9
83.01383	33.6
98.20663	1.9
100.33366	0.9
121.02961	7.5
123.00918	1.0
136.05295	8.1
138.03224	1.1
168.04311	4.5
203.33719	0.9
209.03000	1.3
218.82336	1.0
235.09697	1.5
242.62350	0.9
244.30215	0.9
295.60577	1.1
356.12457	2.6
371.14944	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	370.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87289	0.4
54.90301	0.4
55.01871	0.9
59.01384	1.1
61.98829	100.0
70.05618	1.4
81.29604	0.4
83.01385	8.7
83.74682	0.4
121.02959	10.1
123.41223	0.4
136.05295	2.6
142.28571	0.4
145.85864	0.5
168.04327	1.1
179.03487	1.0
211.46912	0.4
228.51825	0.4
235.09837	0.5
356.12643	0.8
365.95340	0.5
371.07855	1.2
371.14828	4.0
380.99484	0.5
386.01755	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33393	2.8
59.01384	18.0
61.68135	2.7
61.98827	80.7
70.26689	9.3
80.16187	2.4
80.21843	2.4
83.01383	100.0
91.04000	7.0
121.02959	26.2
123.00907	6.0
127.08409	2.8
129.02090	2.9
136.05298	31.1
138.03215	3.9
168.04276	17.7
195.13933	8.7
196.14259	6.9
235.09691	4.9
235.80943	2.9
278.22040	12.1
295.22855	17.6
296.23102	90.3
297.23199	4.6
322.52835	2.7
356.12708	6.7
371.14917	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21960	1.1
55.01871	4.4
57.03450	5.0
59.01378	73.6
60.66880	0.9
69.03449	1.2
69.13669	1.1
69.29749	7.9
71.01378	22.8
72.99305	2.1
73.02937	7.5
75.00907	1.3
83.01379	9.3
85.02950	20.8
87.00854	2.6
89.02433	4.4
95.01387	2.6
97.02937	1.3
98.20723	1.3
99.00880	4.5
101.01901	1.1
101.02463	13.9
101.11470	1.2
101.12130	1.1
106.04262	2.6
111.00895	2.1
112.01659	2.3
113.02455	11.6
121.06584	2.3
128.40245	1.1
129.01935	1.4
161.04572	2.0
165.09209	68.0
166.09505	5.2
223.04596	3.5
279.12219	1.3
309.13422	100.0
310.13785	10.1
327.14471	73.8
328.14752	4.9
369.15350	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	369.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
57.03448	2.9
59.01376	7.1
61.98826	3.5
69.94494	0.9
71.01376	2.2
71.01734	0.3
72.99295	0.5
73.02931	0.7
75.00873	0.8
78.73483	0.2
83.01382	1.9
84.02166	0.4
85.02948	14.9
86.03307	0.4
87.00863	0.5
89.02412	0.2
93.03466	0.7
95.05013	0.9
98.19953	0.2
99.00969	0.2
100.21690	0.2
101.02435	0.9
101.87371	0.2
103.00373	0.3
105.03452	0.3
106.04243	6.8
108.02168	1.5
111.00876	4.2
111.01584	0.4
119.05016	2.4
121.06596	3.1
123.04541	1.1
129.01938	5.1
133.01433	0.3
133.02953	1.1
138.03204	0.7
143.03470	0.3
145.02986	0.4
147.02983	0.7
155.56029	0.2
161.04614	0.3
163.04002	2.4
163.07645	0.3
165.09196	100.0
166.09540	5.4
166.37579	0.2
173.00963	0.4
176.29286	0.2
176.98505	0.2
177.01848	0.2
191.01955	1.9
205.03523	3.8
206.03880	0.3
223.04581	11.6
224.04898	0.3
231.06500	0.2
257.87173	0.2
356.29327	0.2
369.11914	0.3
369.15799	0.3
393.36197	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.2
57.03442	7.4
59.01381	1.3
65.68488	0.8
69.95934	1.5
69.96304	2.6
71.01378	4.1
72.99302	1.6
75.00863	0.9
83.01392	4.0
84.02149	1.4
85.02946	48.6
86.03274	0.9
87.00883	1.0
98.19974	0.8
99.00876	0.8
101.02415	4.4
111.00873	17.0
119.05018	2.0
129.01933	18.3
130.02228	1.0
147.02933	1.5
149.20369	0.8
161.04547	1.5
163.04002	2.2
187.02432	1.2
205.03500	24.5
223.04570	100.0
224.04936	4.6
341.02893	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.1
57.03162	1.3
57.03445	22.4
57.56323	1.0
59.01372	2.2
67.01864	1.5
70.27843	3.8
70.76653	1.0
71.01385	7.6
71.22543	1.0
72.99313	1.1
73.02943	3.5
75.00860	1.9
76.39994	1.0
83.01380	12.2
84.02160	2.9
85.02945	100.0
86.03284	2.7
87.00835	1.0
101.02425	6.3
111.00879	29.7
118.04100	1.1
119.04996	12.9
129.01941	39.0
145.03046	1.0
161.04559	2.9
163.04031	9.3
187.02530	1.1
205.03502	23.5
223.04559	40.6
224.04817	2.2
240.91263	1.0
369.08215	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.0
57.03444	16.1
59.01373	4.9
71.01415	6.9
72.99293	1.9
73.02927	1.9
75.00864	2.6
77.96539	0.8
83.01392	6.6
84.02155	2.5
85.02945	88.9
86.03268	2.1
87.00864	1.8
89.30343	0.7
101.02432	8.1
103.00335	1.0
103.03952	1.4
104.39786	0.8
111.00876	38.9
112.01217	1.2
119.05001	5.5
125.02462	0.8
129.01938	27.7
145.02858	0.9
147.02972	3.7
149.48773	0.8
161.04526	2.9
163.03928	3.9
163.25275	0.7
179.05437	0.8
187.02425	2.6
205.03511	36.1
206.03789	1.3
217.92407	0.7
223.04581	100.0
224.04942	3.7
314.51428	0.8
329.33118	0.8
345.81479	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.0
57.03447	24.1
59.01365	2.5
67.01888	1.3
68.99824	1.4
69.73563	3.4
69.73967	1.8
71.01380	7.9
72.99305	1.6
73.02951	2.4
75.00863	1.9
83.01389	8.6
84.02161	1.8
85.02947	100.0
86.03294	2.0
98.20683	0.7
99.00825	0.9
101.01832	1.0
101.02415	6.5
103.04021	1.1
111.00878	30.5
111.41929	0.8
112.01218	1.3
119.05027	10.3
121.04679	0.7
126.32672	0.7
129.01942	38.9
131.77953	0.8
145.02965	1.6
147.03003	0.8
161.04555	3.1
163.04021	9.6
164.04306	0.9
173.59755	0.7
184.84602	0.8
187.02435	2.3
205.03511	28.3
206.03896	1.0
223.04575	51.5
224.04906	1.2
369.08240	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2637
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
59.01368	1.6
61.98812	1.2
69.70858	2.9
69.71261	1.7
76.02373	0.8
76.68383	0.8
105.78111	0.7
132.19778	0.8
133.06567	6.5
140.32527	0.8
149.09708	67.2
150.10072	3.7
156.28123	0.9
192.37677	0.8
205.15956	38.6
206.16310	2.2
295.16995	3.3
328.16626	1.8
342.28806	0.9
367.26401	100.0
368.26767	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16399	0.7
57.03444	3.8
59.01374	11.9
61.98815	3.6
71.01373	3.9
71.53931	1.3
73.02935	1.5
75.00870	2.3
83.01360	2.0
84.04541	18.9
85.02460	1.1
85.02946	11.6
89.02454	1.0
96.96008	1.5
99.00859	1.5
101.02450	1.9
111.00888	4.1
113.02431	2.6
119.05008	1.2
128.50455	0.8
129.01927	5.0
137.09677	2.2
161.04572	0.8
162.02298	100.0
163.02702	1.8
163.03883	1.0
201.14938	2.0
205.03519	3.2
205.31085	0.8
223.04558	9.7
267.66425	0.9
269.11383	1.5
269.56003	0.8
348.17957	1.0
369.22888	1.0
375.75323	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	1.2
61.98808	1.3
70.07223	2.2
76.21409	0.6
100.94730	0.7
117.41772	0.6
133.06590	1.7
137.88731	0.7
149.09715	81.5
150.10039	4.8
180.57375	0.7
192.00774	0.9
202.34302	0.7
205.15961	78.9
206.16310	7.3
223.20662	1.1
262.65805	0.7
285.20670	1.5
367.26401	100.0
368.26724	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98409	0.3
53.02695	0.3
57.03445	2.7
59.01375	3.9
61.42370	0.3
61.98822	0.9
71.18776	0.7
89.02472	0.3
97.06580	0.5
109.06597	0.6
113.05949	0.3
113.09728	14.4
114.10059	0.3
135.11816	0.5
139.11288	1.3
149.09732	0.6
167.10722	2.1
177.12825	1.3
179.10754	1.4
195.13899	2.6
214.45401	0.4
249.22159	1.6
275.20184	0.6
293.21216	100.0
294.21579	10.8
325.12613	0.4
333.17007	0.4
367.25052	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
59.01379	9.0
60.45523	0.6
61.98814	2.0
71.01370	1.7
71.53698	0.6
71.54081	0.9
77.88228	0.7
89.02441	3.7
91.04003	15.4
149.06117	0.8
171.10254	0.6
173.89386	0.7
179.14406	1.3
195.13887	9.2
205.12369	0.8
223.13399	5.9
245.09323	0.6
256.13129	1.9
265.21860	0.7
275.20111	6.4
293.21213	100.0
294.21603	11.5
307.10648	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57389	0.2
56.23866	0.3
57.03423	0.4
57.18366	0.2
57.78378	0.2
58.00592	0.3
59.01375	5.8
61.98816	0.3
70.01817	1.0
71.01373	1.2
72.99301	0.5
89.02435	3.6
91.03999	14.3
92.04314	0.4
95.05031	0.3
111.08109	0.5
113.09736	0.3
114.24005	0.2
167.10797	0.3
171.10172	0.4
177.12752	0.3
179.14357	0.7
181.12302	0.4
195.13881	9.3
196.14453	0.9
205.12285	0.7
205.15901	0.9
211.13338	0.4
215.63860	0.2
223.13371	6.4
224.13687	0.6
225.12759	0.2
228.13667	0.8
231.21184	0.6
256.13120	1.7
275.20154	5.9
276.20462	0.7
293.21194	100.0
294.21521	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	367.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	12.3
61.98828	100.0
77.93020	2.1
83.07299	1.9
94.42152	2.2
113.71242	2.6
134.12279	2.1
229.10207	2.8
280.26816	2.2
291.19629	3.5
307.10330	2.7
367.16501	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	367.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
59.01377	100.0
60.01707	1.0
60.51187	0.5
61.98832	2.2
66.72185	0.5
71.01379	4.2
71.29290	0.7
72.99273	0.5
73.02963	1.5
83.01404	1.2
85.02951	7.1
89.02444	1.3
93.03455	0.6
96.96047	0.6
99.00900	0.5
101.02444	3.0
111.00944	0.7
113.02463	1.8
119.05022	63.9
120.05367	2.7
129.01968	1.0
134.03757	2.2
145.02898	1.1
147.03026	1.1
160.01640	0.5
161.04594	2.1
161.06029	0.6
163.04002	44.3
164.04318	3.0
191.02048	1.5
193.05136	0.9
233.10423	0.5
307.17609	9.1
308.17862	0.7
327.04727	0.9
367.10535	0.7
367.18805	2.0
385.77057	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56113	0.8
52.76991	0.8
53.07169	0.7
57.03438	3.3
59.01376	6.5
61.98819	1.2
71.01351	1.1
71.52972	1.2
71.53359	1.0
87.86654	1.0
113.09727	14.8
167.10771	1.5
177.12807	1.2
179.10797	1.8
180.15408	1.1
195.13857	2.5
236.49277	0.8
249.22166	1.9
293.21228	100.0
294.21542	10.4
307.10257	1.2
355.80426	1.0
367.24747	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	79.9
59.01379	12.6
61.98829	8.2
70.71629	2.4
71.01380	2.0
80.96546	1.0
85.02941	5.5
92.49992	0.8
125.02445	2.7
129.01930	0.8
129.05542	1.1
134.03723	2.5
135.36699	0.8
162.06778	0.8
163.07635	100.0
164.07988	5.0
165.50099	0.8
186.27055	0.8
191.01920	2.6
191.05386	0.8
193.05000	2.5
259.06021	1.7
287.05707	3.8
307.17108	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25484	0.4
58.72853	0.5
59.01383	2.5
69.35062	3.6
75.92200	0.4
77.41747	0.4
86.30698	0.4
89.51893	0.4
111.14205	0.4
111.80972	0.4
121.02950	0.8
147.04521	1.5
148.05301	100.0
149.05621	5.5
163.07645	69.4
164.07964	3.4
172.04904	0.4
177.80127	0.4
307.12250	0.6
364.06537	0.5
367.13919	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52686	0.5
59.01377	100.0
60.01704	1.0
61.35189	0.6
61.98831	14.2
62.92922	0.6
62.98522	0.6
66.61570	0.6
69.50375	4.5
71.01383	10.3
73.02953	0.6
85.06592	2.0
85.16974	0.6
89.87474	0.7
96.95988	0.9
99.04530	1.0
101.02471	0.7
102.81392	0.5
113.02542	0.7
116.26363	0.7
116.94343	0.6
121.02979	0.9
131.07143	13.0
134.03154	0.7
183.64128	0.7
185.08179	3.8
239.71793	0.6
269.08310	1.2
275.11417	4.3
367.13174	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	15.6
61.98827	100.0
65.60394	0.5
71.01386	1.3
71.53825	0.6
77.06546	0.4
89.92780	0.4
93.23837	0.4
99.04571	0.6
112.98821	1.6
113.02519	0.5
131.07158	1.5
135.03070	0.5
145.90031	0.4
173.00999	0.5
174.01701	1.1
193.05185	0.5
242.41222	0.5
271.08630	0.6
275.11411	0.5
293.11588	0.5
306.13495	0.6
327.24783	0.5
366.15726	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.8
59.01379	45.2
60.01715	2.4
61.98830	100.0
71.01394	5.1
71.52213	0.8
72.01709	0.4
72.06883	0.5
72.99297	1.0
73.02956	1.5
74.00709	0.9
75.00871	0.6
80.73659	0.5
83.01412	1.0
85.02949	11.5
86.21986	0.5
89.02448	2.6
95.01341	0.5
96.96013	0.9
101.02470	2.3
102.92879	0.4
110.03319	0.6
111.00894	0.7
113.02461	1.9
117.03491	0.6
119.03520	1.0
119.05048	0.8
125.02460	0.7
129.01955	1.4
134.03734	2.3
136.00735	0.9
138.62363	0.5
146.02466	0.8
147.03004	2.6
148.04921	0.4
152.26591	0.5
153.01933	1.2
154.02292	0.7
160.01727	0.8
160.04024	4.4
161.04747	6.4
162.05669	5.9
163.04114	0.6
167.03339	0.5
168.03030	1.9
175.03986	1.4
191.02032	0.7
193.05067	1.6
210.47552	0.5
265.12985	2.6
286.06448	2.3
307.14117	0.7
323.07825	0.5
324.17313	0.5
366.08109	1.1
366.18729	1.3
367.10632	1.1
367.19763	1.5
368.41080	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.3
58.00581	1.2
59.01379	31.1
60.01704	0.6
61.98827	1.0
62.33642	0.7
70.40269	2.2
71.01379	12.4
71.05029	0.6
72.62424	0.5
72.99317	0.7
73.02932	1.4
83.01366	2.4
85.02951	3.1
87.00895	0.8
89.02444	12.0
99.00859	0.8
101.02434	10.2
113.02448	5.1
113.09711	1.3
119.03510	4.4
120.03889	0.6
121.50861	0.7
127.11275	1.6
130.90839	0.6
155.10747	1.9
157.12340	13.6
158.12589	0.8
161.04619	1.1
167.03580	1.1
185.11826	1.9
187.13451	0.8
199.13379	1.9
202.02725	0.7
203.12874	42.8
204.13191	1.6
245.14006	1.1
289.11969	1.0
365.18127	100.0
366.18475	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	365.2693
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
59.01381	2.0
61.98816	0.6
69.92649	1.8
71.95435	0.4
85.06591	2.1
98.20621	0.8
120.68888	0.4
152.66125	0.5
199.13354	2.6
261.18597	1.2
279.19641	16.4
280.19958	1.8
347.25861	6.4
348.26337	0.5
359.49252	0.4
363.25372	0.8
365.26929	100.0
366.27274	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.4
61.98828	100.0
67.27119	0.3
70.35374	0.5
70.35725	1.1
70.98225	0.3
71.01403	0.4
72.99316	0.7
75.48802	0.3
89.02463	0.5
93.68259	0.3
98.19965	0.4
117.01949	0.7
125.02466	0.8
142.99846	1.0
153.05560	0.8
167.07159	0.6
173.00967	0.5
174.01717	0.8
193.05135	0.4
225.07832	0.5
285.03934	0.7
303.05209	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83262	0.9
59.01377	100.0
60.01709	0.9
61.98839	0.9
62.53029	0.7
71.01005	1.4
71.01377	17.6
73.02963	5.5
73.03291	0.9
73.26868	1.0
83.01370	2.4
83.01964	0.7
83.81014	0.7
85.02946	6.4
87.00848	1.3
89.02437	7.4
90.88542	0.7
98.19897	2.4
99.00864	2.7
101.02438	11.9
113.02453	6.7
115.07644	1.1
119.03482	3.2
143.03516	1.0
146.08206	0.9
159.02922	1.8
161.04533	15.6
179.05594	1.0
202.02696	2.3
220.48558	0.8
288.48593	0.9
305.12531	1.2
305.16022	23.9
306.16379	2.2
315.49399	0.8
365.08789	1.6
365.14258	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
57.03440	1.1
58.00601	1.1
59.01375	100.0
70.67975	1.4
70.68326	0.7
71.01376	23.4
72.01742	1.1
72.99304	1.1
73.02941	2.8
83.01381	2.7
85.02940	7.6
85.35633	0.6
87.00855	1.4
89.02441	20.1
95.01383	1.8
99.00838	1.5
99.74814	0.7
101.02436	19.4
113.02443	9.3
119.03483	8.7
143.03471	1.1
146.35907	0.7
159.02957	0.7
161.04561	4.5
179.05612	1.5
185.11819	2.5
197.57034	0.7
203.12872	2.8
229.32518	0.8
251.42400	0.9
305.16043	6.5
347.17078	4.8
365.18103	69.4
366.18442	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	365.0876
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
50.95495	0.3
59.01375	5.8
59.57431	0.3
61.98824	2.0
66.43413	0.3
69.34508	0.7
69.34926	1.8
71.01377	1.7
73.02942	0.9
85.02940	1.1
89.02454	0.8
101.02432	1.2
113.02426	0.7
115.07646	1.3
119.03467	0.3
119.05016	0.3
138.05608	0.3
145.02934	1.2
147.03308	0.7
147.04459	0.6
157.02974	0.5
158.03731	13.6
158.97278	0.3
159.04503	6.6
160.04900	0.5
160.07213	0.3
162.05608	5.3
171.04555	2.5
173.02322	0.5
175.03993	0.3
184.05161	0.4
185.06078	0.4
201.01907	0.7
201.05550	2.9
202.02705	100.0
203.03201	8.9
213.05516	2.5
215.03462	0.4
227.03503	0.4
231.06636	1.2
245.04547	1.1
246.48494	0.3
255.45065	0.4
275.05640	1.5
305.16003	0.4
333.10864	0.4
347.43283	0.3
365.08725	51.2
365.18423	1.2
366.09021	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	365.145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82929	0.6
53.36730	0.6
57.03416	0.7
59.01379	100.0
60.01706	0.7
61.98833	1.0
62.84692	0.6
64.77995	0.5
71.01379	11.4
71.28861	1.3
73.02965	0.7
85.02954	1.5
87.00877	0.9
88.04068	1.2
89.02445	21.3
90.02788	0.7
97.15496	0.6
101.02451	6.7
108.02189	0.6
113.02458	6.0
116.05032	3.3
119.03501	9.3
131.03525	1.2
135.56902	0.6
143.03496	1.5
149.04514	1.0
153.01994	0.8
160.04034	83.6
161.04536	2.0
167.03502	1.2
178.83205	0.6
179.05620	6.2
203.08249	1.7
204.02983	4.1
218.10547	0.7
285.06253	0.6
305.12323	0.9
365.13745	2.9
366.03735	1.3
366.08261	19.2
366.13434	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.3
57.30816	1.4
58.02964	3.2
58.80289	1.2
59.01376	16.0
61.98845	1.5
67.01877	1.3
69.00275	1.3
69.83082	5.1
71.01382	9.4
73.02952	2.4
73.53217	1.3
77.02040	1.3
83.05025	2.1
85.02937	11.5
85.06524	1.3
86.01881	1.3
87.00877	4.7
89.02415	1.6
89.88100	1.4
93.03463	2.9
96.96005	39.1
96.96950	2.1
98.19888	1.9
99.00877	10.1
101.02426	2.5
109.02934	4.4
111.00864	5.9
111.04510	15.5
112.98795	20.2
113.02435	4.5
115.00391	2.8
126.11468	1.3
127.04006	2.8
128.03557	2.1
129.01930	4.7
129.05550	2.1
133.05069	2.5
142.99857	18.5
145.01387	1.3
152.01132	1.8
153.01913	3.7
155.03471	14.1
157.06090	1.4
159.04688	4.1
159.57211	1.5
160.04077	2.8
160.06071	2.9
167.03473	2.9
171.07672	1.3
173.00911	20.0
173.04523	43.9
174.04884	1.8
174.07693	7.6
175.02419	1.5
191.05598	100.0
192.05942	5.3
285.06134	5.7
286.10318	1.5
305.05331	1.7
312.10916	2.0
327.12726	1.7
330.12106	1.8
365.08759	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	364.9633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43762	0.4
58.61664	0.3
59.01367	3.1
60.21869	0.3
61.98827	100.0
63.48468	0.4
63.99252	0.5
69.54023	0.4
71.06986	0.7
116.19994	0.4
135.95628	0.5
159.97339	0.5
164.94708	0.4
172.49985	0.4
180.94124	7.0
206.97414	4.0
219.97736	0.6
220.99570	1.4
221.98242	0.5
222.95189	70.0
223.96980	1.1
231.71619	0.4
279.39822	0.3
322.95490	0.6
364.96606	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90152	0.6
59.01379	100.0
60.01721	1.2
60.31015	0.6
61.98827	26.1
62.31522	0.7
71.01382	15.0
71.52411	0.7
72.99310	0.9
73.02947	4.9
79.95725	0.7
80.96550	1.2
83.01389	1.9
85.02948	5.8
85.06605	0.9
87.00862	1.4
89.02453	10.7
95.01392	1.2
96.96012	18.0
96.96614	1.4
99.00876	1.1
101.02446	9.5
108.02175	2.8
109.02945	40.1
110.03316	1.4
113.02435	6.2
119.03484	3.3
123.00922	1.0
123.04501	1.0
123.88516	0.7
125.02453	1.0
134.46825	0.7
136.02492	0.7
143.03473	1.2
143.07150	1.6
147.04535	1.2
152.01147	6.6
153.01932	77.5
154.02293	3.3
159.03044	0.9
159.04314	0.7
160.04025	17.9
161.04547	10.2
167.03496	2.4
179.05600	2.4
203.12866	2.4
210.99171	6.7
263.11417	1.2
285.06143	82.2
286.06451	6.4
305.12360	1.8
305.15955	2.2
323.17087	1.5
343.82419	0.6
365.01797	22.7
365.09024	1.2
365.14258	2.0
365.18402	4.8
366.02115	2.0
366.08121	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	364.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97697	0.5
53.12262	0.5
55.37158	0.4
59.83461	0.6
60.70456	0.5
61.98828	100.0
69.30338	3.8
90.06831	0.5
109.06618	0.7
159.85716	0.5
163.11258	0.5
207.10336	1.0
225.11400	1.7
237.61198	0.6
277.58673	0.5
283.15878	0.6
301.16727	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01705	9.4
61.01793	8.1
61.98833	67.9
70.71285	2.8
82.18056	2.6
106.67419	2.5
110.57742	2.7
128.49217	3.2
145.72552	2.9
174.33713	3.4
219.06947	13.4
220.07074	17.0
222.96748	2.4
229.24022	3.9
288.13470	11.3
302.16736	7.6
303.16367	11.6
304.16620	80.8
305.16382	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	364.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.1
60.27420	1.4
61.98827	2.3
70.04072	1.3
77.45378	1.4
79.95729	23.9
80.96501	6.9
106.98079	17.3
115.07633	15.4
116.33899	1.5
118.80858	1.5
124.00733	60.5
125.78297	1.6
148.00732	4.5
248.09584	92.9
249.09882	5.4
263.20129	3.4
278.09985	1.4
291.19653	17.4
364.17963	100.0
365.18384	9.4
365.22510	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	364.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	10.1
59.01379	20.9
61.98829	100.0
71.69298	2.4
77.88387	2.6
83.01382	6.9
85.04165	2.4
95.53893	2.4
96.95979	3.7
125.02441	83.7
126.02773	4.2
147.80649	2.9
153.01910	2.7
155.52214	2.9
164.01175	6.6
179.03508	23.4
184.17865	2.5
196.00208	2.5
211.13451	6.4
229.14276	3.3
268.03616	3.9
269.04074	22.8
283.06042	9.1
284.06430	27.1
301.07147	47.5
302.07507	6.7
329.23349	24.2
364.02380	6.6
365.03284	12.7
365.15930	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	364.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.99555	0.3
64.92410	0.3
68.87970	0.3
69.82008	1.0
69.82419	0.9
85.26573	0.4
87.03828	0.4
114.38637	0.4
159.41788	0.4
162.21979	0.4
183.13934	0.8
200.67412	0.4
301.16855	0.6
334.22305	0.4
381.56305	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21011	0.5
55.01887	0.4
59.01379	100.0
60.01715	1.2
69.25179	3.5
71.01369	2.8
71.84637	0.3
73.02952	0.9
83.01401	0.4
85.02967	1.7
87.59178	0.4
89.02448	0.7
99.00870	0.5
101.02444	2.6
113.02477	1.5
155.10773	0.6
161.04651	0.8
189.44945	0.4
209.71381	0.4
241.16353	0.5
256.39365	0.4
259.23541	0.5
316.30734	0.4
321.19354	1.7
363.23883	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	363.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72910	0.4
59.01376	100.0
60.01709	1.5
61.98808	0.6
70.50858	1.2
71.01376	3.3
73.02976	1.1
75.00885	0.4
77.18861	0.4
81.61209	0.4
83.01408	0.6
85.02962	1.9
89.02448	1.4
101.02412	2.2
107.17751	0.5
110.28767	0.4
113.02451	1.4
114.50452	0.4
119.03545	0.6
159.02992	0.4
161.04497	0.7
256.89371	0.5
321.19373	1.2
363.07355	0.5
363.16461	2.0
363.23917	1.1
379.19861	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62274	0.4
56.98173	0.4
59.01377	100.0
60.01711	1.1
67.48793	0.4
71.01389	0.6
75.03489	0.4
89.02446	0.6
101.02459	0.6
137.60023	0.4
150.74582	0.5
154.04221	0.4
156.78685	0.5
230.62277	0.5
251.41068	0.5
300.06738	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86294	0.8
57.03444	0.9
59.01069	1.6
59.01378	56.8
61.98829	100.0
71.01379	16.8
71.52721	1.1
73.02935	2.6
75.00864	2.2
76.56924	0.8
85.02938	6.9
85.42290	0.8
87.00853	1.8
89.02438	13.2
92.13841	0.9
101.02438	10.5
111.00877	1.2
113.02445	7.6
115.03997	1.3
119.03490	8.0
119.04977	0.9
129.01952	1.2
134.03703	1.3
139.07695	0.9
139.11234	1.1
146.08255	3.1
149.04526	1.0
150.10905	1.0
160.04063	4.9
161.04584	1.4
171.39384	0.9
183.10246	7.8
193.05028	1.3
195.71135	0.9
201.11327	1.4
249.19945	1.0
345.15195	0.9
363.06522	1.7
363.16528	36.9
364.16364	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	363.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
57.03446	0.5
59.01377	100.0
60.01714	1.3
60.06551	0.4
61.98833	1.6
64.70274	0.3
65.05971	0.3
71.01377	3.9
71.54243	0.4
72.99329	0.5
73.02937	1.3
75.00871	0.7
85.02941	2.5
87.00872	0.5
89.02451	1.3
95.01411	0.3
99.00890	1.0
101.02425	2.6
101.08791	0.4
109.63383	0.4
112.01614	0.4
113.02437	2.0
114.70586	0.3
114.79349	0.4
138.34557	0.3
139.11256	0.4
158.27225	0.4
161.04585	0.9
165.12871	0.5
183.13950	1.5
205.79497	0.3
227.12936	0.3
231.16039	0.9
238.09737	0.4
245.14133	0.4
267.07309	0.8
283.06281	0.8
289.82867	0.4
321.19269	2.2
363.12540	0.5
363.16660	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01706	1.2
61.98831	0.7
64.69849	0.4
68.44220	0.5
70.99126	0.6
71.01384	6.2
71.05032	0.5
71.53402	0.6
72.99315	1.3
73.02946	1.3
75.00878	2.3
82.02992	5.1
83.01414	1.4
85.02953	3.8
87.00911	1.1
89.02450	5.0
95.01387	0.9
95.78388	0.5
99.00918	0.8
100.33890	0.5
101.02435	3.6
111.00909	0.5
111.91128	0.6
113.02449	4.6
113.06066	3.1
119.03511	2.1
121.10245	1.4
132.08400	0.5
135.03046	0.8
136.04059	4.2
137.04448	0.5
138.05592	0.5
139.11295	0.7
149.04588	0.6
152.09198	0.5
158.03767	0.9
161.04541	1.2
164.03513	5.8
175.56703	0.6
176.07147	0.6
183.10268	3.0
194.04582	2.8
195.05264	0.9
196.06133	4.0
197.27568	0.5
201.11346	1.1
202.08795	0.6
244.09726	1.0
245.09410	0.7
249.06174	2.2
259.11169	0.6
261.13556	1.0
267.07196	5.6
270.07803	1.1
271.07202	0.6
285.03918	3.1
286.04428	1.8
287.10370	13.0
288.10736	1.5
299.99799	0.5
303.64166	0.5
331.09329	7.2
332.09943	0.9
363.12723	5.1
363.16855	6.3
363.24112	1.9
364.17316	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82410	5.9
59.01381	100.0
69.62228	42.8
71.01377	36.4
73.02949	9.0
75.00874	9.7
85.02942	26.7
89.02442	16.2
101.02436	28.7
113.02438	12.9
119.03538	8.3
132.90227	6.7
160.83589	6.9
161.04573	10.4
164.03444	10.9
165.09218	7.4
183.10315	15.3
201.11218	19.2
287.10394	22.3
327.14505	17.8
363.12125	19.4
363.16525	70.5
363.23944	27.8
364.17160	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	363.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45524	1.4
59.01377	100.0
60.01693	2.4
61.59836	1.4
65.71316	1.7
69.03450	1.7
71.01370	10.9
71.52425	1.4
72.99318	6.5
73.02934	3.9
73.04617	1.6
75.00873	2.4
83.01385	3.4
85.02959	5.5
89.02448	7.4
97.45078	1.5
99.00878	3.3
101.02451	5.7
111.00887	1.9
112.98800	7.5
113.02456	3.4
115.00368	2.8
117.01923	2.7
119.03543	1.7
119.05052	9.3
123.08176	2.7
126.85697	1.8
137.06104	2.5
139.07706	2.4
140.74207	1.5
147.04549	4.7
153.05553	6.8
160.04005	4.1
163.03989	10.6
164.04431	2.1
165.05513	1.9
167.07135	11.3
171.06691	2.5
173.00885	8.9
174.01677	76.1
175.02446	8.9
189.34807	1.5
193.05099	3.1
200.78812	1.7
201.11324	1.9
204.50461	1.4
211.06067	15.5
217.70195	1.5
241.05060	2.6
271.08096	16.1
363.11667	3.4
363.16565	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	362.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59219	0.7
59.01377	18.6
61.98827	100.0
71.01379	10.9
71.52528	0.8
72.99323	1.5
73.02933	0.7
75.00871	0.6
85.02956	3.3
87.00887	1.9
88.33685	0.5
89.02439	11.5
89.02946	0.9
93.03456	12.5
93.04035	1.0
94.03862	0.7
95.01411	0.8
101.02438	5.7
101.84435	0.6
113.02446	7.2
119.03530	3.9
119.04994	3.0
120.05361	0.7
122.06139	1.6
126.48993	0.6
137.02438	36.7
138.02820	1.2
140.07236	0.9
143.03552	0.8
145.02936	1.1
161.04570	2.5
163.04041	3.5
164.04332	0.9
169.88388	0.6
177.04100	0.8
179.05591	6.5
183.10338	0.8
194.08223	1.3
218.10535	0.6
299.07700	6.9
300.08362	0.7
363.12134	1.3
363.16531	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	362.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85286	0.5
59.01373	8.0
61.98828	100.0
69.80872	2.6
70.54139	0.5
71.01380	2.4
72.99335	0.5
74.00694	0.6
85.02955	1.5
89.02412	1.2
101.02446	0.8
113.02489	1.0
119.05094	0.9
121.90731	0.6
123.00860	3.3
124.01257	2.4
128.03528	0.6
138.03256	2.0
139.03619	1.8
161.04576	0.8
162.05005	0.8
212.65236	0.5
302.09680	1.6
347.65802	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55045	1.1
59.01379	100.0
60.01696	1.4
61.98825	1.4
62.92942	1.0
68.55545	1.0
71.41587	1.8
121.79926	1.2
123.05672	1.0
138.64555	1.0
151.85956	1.1
211.35921	1.5
217.04259	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.9892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91829	0.3
59.01375	10.3
60.01706	0.9
61.01779	0.4
61.98826	100.0
62.20522	0.3
69.73244	1.6
78.76031	0.3
78.91883	0.4
88.00005	0.3
101.85575	0.3
116.70506	0.3
147.29189	0.4
159.97388	0.9
174.99236	1.0
175.99550	0.6
177.96695	0.4
178.98495	0.8
187.03043	0.3
201.02559	1.2
203.02289	0.7
203.99986	4.8
204.02707	0.9
206.97357	0.5
217.00281	2.6
218.00589	3.5
219.00441	0.7
219.97734	52.4
220.97610	0.4
220.99693	3.4
250.83017	0.4
278.99286	0.4
319.97797	0.8
361.98489	2.5
362.99442	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54885	1.7
59.01383	11.1
61.98828	100.0
70.33112	1.6
71.01386	9.8
72.92919	1.5
73.00789	1.6
76.17931	1.7
83.01375	3.6
146.68398	1.5
198.03233	2.5
214.02701	2.8
216.04268	5.4
231.06567	9.5
240.04088	3.9
268.03802	5.7
283.06052	11.0
284.03220	13.4
285.03586	2.1
299.05591	78.5
300.05917	10.7
327.21820	5.5
362.20020	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
55.90045	1.1
57.03443	1.2
58.00573	1.4
59.01376	70.9
59.03432	1.2
61.98829	2.9
68.43433	1.3
70.91173	2.7
70.91525	1.5
71.01377	19.8
73.02917	4.1
80.41374	1.1
83.01374	2.7
85.02939	7.6
89.02464	6.4
90.44494	1.1
93.03458	4.6
94.36230	1.1
95.01340	1.6
99.00883	2.6
101.02438	11.9
109.02950	10.2
113.02438	6.7
113.03149	1.3
119.03506	2.1
121.02956	37.0
122.03740	22.1
123.04491	4.0
124.01659	2.8
129.03450	2.5
131.43285	1.2
134.03709	1.7
135.04507	4.8
136.05315	2.6
137.02466	5.7
141.24834	1.3
141.48129	1.2
146.03748	2.0
147.04524	14.6
149.06049	3.2
150.03250	1.4
154.02728	4.2
161.04643	1.4
161.05994	5.3
165.05556	40.8
166.05873	3.3
168.04208	1.4
173.08055	1.4
175.07828	1.3
179.07106	14.4
181.12311	5.0
197.15482	1.2
199.13365	16.0
209.11795	40.8
210.12131	3.2
223.09744	1.9
227.12828	3.3
238.51169	1.3
247.11743	1.4
275.34488	1.4
301.11050	1.6
313.14267	1.8
315.12421	5.5
318.13501	1.3
319.17123	1.8
320.18042	1.3
343.17517	2.2
346.14194	12.8
347.14410	2.3
361.16617	100.0
362.16254	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	361.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26079	1.2
57.03419	2.4
59.01377	95.2
59.36244	1.3
71.01382	17.7
73.02927	4.4
83.01369	3.6
83.05031	2.3
85.02944	5.3
87.00873	2.1
89.02435	4.6
101.02444	10.7
113.02424	3.6
148.09726	1.3
160.14478	1.2
161.04387	2.0
181.12395	1.5
199.13390	19.2
209.11800	74.6
210.12119	3.7
227.12910	4.9
343.17462	3.4
351.15207	1.3
361.18665	100.0
362.19028	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	361.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21659	0.9
59.01381	20.2
61.98802	1.4
71.27847	1.2
74.67785	1.1
78.50416	1.1
88.68498	1.0
134.03767	0.9
134.60838	0.9
155.38542	0.9
183.25053	1.0
279.23282	100.0
280.23627	10.4
361.14978	1.4
361.23633	22.2
362.23724	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	361.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	31.3
61.98826	46.2
70.36428	2.6
70.36776	8.0
71.01379	12.4
73.02956	5.7
85.02934	3.6
89.02456	5.6
95.01362	4.0
101.02447	9.3
105.85645	2.1
111.00797	2.3
113.02452	7.0
119.05030	5.4
121.03013	5.5
123.00883	100.0
124.01624	8.6
137.02426	4.8
137.06030	2.4
138.03224	77.8
139.00363	3.9
139.04036	24.3
149.02371	3.3
151.03926	5.7
161.04550	20.9
163.03981	7.7
164.98314	3.9
181.05064	11.0
182.99284	6.2
184.06137	3.1
193.05093	3.5
202.38318	2.6
226.79861	2.2
276.48050	2.1
301.09274	44.4
323.13559	4.2
361.07690	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	361.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61004	0.4
55.01875	1.3
57.03448	0.8
58.00595	0.9
59.01377	100.0
60.01715	1.3
61.98820	0.8
69.24969	0.5
69.54057	2.2
69.54462	1.3
71.01380	21.0
72.99317	0.7
73.02943	7.2
74.07523	0.5
75.00858	0.6
80.44632	0.5
83.01398	3.5
85.02946	8.0
87.00904	1.1
89.02444	11.0
89.03008	0.6
95.01402	1.5
97.06590	0.7
98.19630	0.5
99.00884	1.7
101.02438	18.5
113.02443	7.4
119.03505	4.5
125.02469	0.9
141.09294	1.0
143.03525	0.8
158.56165	0.5
159.02972	0.7
161.04556	7.3
179.05670	0.8
199.13486	0.8
301.16629	4.6
302.16907	0.7
319.17581	39.9
320.17822	3.5
361.19043	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	361.0694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66154	2.9
59.01374	12.7
59.32779	2.6
61.98832	19.6
66.94130	2.6
69.53540	19.9
71.01375	3.7
81.44032	2.6
82.66217	2.8
90.05151	2.6
115.92149	2.8
119.05019	82.7
119.05829	5.9
120.05334	2.7
120.73682	2.6
137.02495	5.0
145.07648	2.9
163.03999	100.0
164.04398	5.3
183.02913	4.1
198.05278	2.5
326.56116	3.2
361.06796	4.0
378.27982	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	361.0904
Annotation	Flustramine F
Peak:m/z	Relative Intensity
55.64175	12.2
59.01375	24.3
61.98815	49.3
71.01372	19.7
71.52088	18.2
93.24384	12.5
101.21181	13.1
110.44993	12.5
111.56136	10.9
117.01933	15.6
119.04980	16.0
149.72420	12.1
163.03929	11.2
301.54181	11.1
325.11331	28.6
361.09100	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	22.2
59.01378	62.9
61.98803	6.3
62.02373	4.3
65.30415	6.0
69.74539	23.2
71.01377	35.4
71.05013	11.3
79.36007	5.6
85.02962	12.2
88.04037	67.5
89.02448	15.5
97.72837	5.4
99.04536	23.2
101.02434	22.3
113.02474	7.4
119.03491	7.4
119.04999	5.5
122.06077	6.1
126.76733	5.1
128.07193	29.2
132.03017	13.5
140.07178	36.0
146.08241	27.0
161.04543	18.4
162.05542	5.1
182.08176	11.6
199.09715	6.0
200.09225	32.7
213.12369	5.5
218.10324	100.0
260.11377	30.6
273.12338	10.2
300.14493	10.3
349.86386	5.6
361.10623	9.6
361.14948	30.4
362.14609	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	360.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79398	0.3
50.87280	0.3
59.01109	0.4
59.01379	5.6
69.41349	1.9
71.01373	0.6
89.02442	0.7
101.02405	0.4
104.41605	0.3
105.76482	0.3
108.02178	6.8
109.02496	0.3
132.03047	0.4
138.01967	100.0
139.02333	3.2
151.02711	0.3
160.03935	0.4
161.09828	0.3
166.30133	0.3
167.60374	0.3
180.03017	0.5
199.09758	0.4
203.14445	0.3
333.06067	0.3
361.05264	0.4
361.14966	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	359.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03679	0.8
59.01363	3.1
61.98834	1.5
71.01395	1.1
71.53999	0.7
76.84584	0.6
82.08399	0.7
99.08169	2.2
112.40206	0.6
129.09187	1.2
141.12820	2.1
153.01904	0.9
155.10812	1.6
160.47778	0.7
165.12846	1.5
171.13959	1.1
183.13902	6.4
227.12852	5.2
241.21751	1.3
262.52881	0.7
269.21252	4.2
285.20651	1.5
287.22263	100.0
288.22598	10.8
299.01712	0.9
313.03488	2.3
315.21841	1.3
329.14093	0.8
332.98105	0.7
359.07648	2.4
359.23935	0.7
359.27975	9.5
360.28250	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	27.1
59.75931	0.7
72.36223	0.7
72.40182	0.6
75.84828	0.6
93.25534	0.6
98.19899	2.4
104.39993	0.7
146.70905	0.6
166.05560	0.6
170.98578	0.6
259.20648	0.9
277.21695	100.0
278.22018	10.8
359.21982	23.6
360.22379	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2437
Annotation	oscr#22
Peak:m/z	Relative Intensity
59.01364	4.9
61.98826	2.7
65.51491	1.1
71.01389	10.1
71.52978	1.4
81.03448	1.1
83.04985	1.0
89.02438	1.3
90.69951	1.2
91.04005	1.5
97.02956	1.9
97.06579	2.5
109.06594	10.0
141.37947	1.0
151.05367	1.2
163.11296	4.3
171.10205	2.3
181.12366	2.0
182.63599	1.1
199.09789	6.6
203.95407	1.0
207.10312	10.9
211.13423	2.7
223.20651	88.8
224.20973	7.1
225.11311	2.9
241.21628	1.6
267.19626	65.3
268.19995	6.0
285.20697	100.0
286.21054	10.3
327.71002	1.1
359.24371	64.2
360.24957	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	359.171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58105	0.5
57.03450	1.2
59.01375	1.7
61.98831	1.4
71.01391	1.2
71.05021	0.6
71.08393	1.4
73.02970	1.0
75.24376	0.7
81.60049	0.5
83.05009	0.6
83.17924	0.5
89.02463	0.6
97.06612	1.0
111.08181	1.2
123.20495	0.5
131.03481	1.2
145.03062	0.5
149.04550	5.5
165.12843	27.0
166.13147	1.6
183.13898	100.0
184.14226	7.2
209.11832	1.9
227.12875	81.5
228.13235	6.5
285.20557	0.7
287.22327	2.0
318.71606	0.6
341.15900	0.6
359.12967	0.9
359.17081	15.6
359.28079	2.4
360.17432	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95108	1.4
57.03436	2.4
58.00581	4.0
59.01374	7.7
63.55160	1.3
69.67822	6.5
71.01362	3.3
75.00797	1.6
78.46593	1.4
82.84927	1.2
84.02202	1.8
87.00865	12.8
95.05025	1.8
96.95995	1.5
100.20897	1.3
102.76250	1.2
105.03899	1.4
118.33427	1.5
147.03130	4.9
165.12842	4.2
167.14430	1.8
169.15901	1.6
175.03944	1.5
179.14345	2.7
183.13864	5.6
191.14288	2.7
193.12363	2.3
195.13881	3.6
205.12332	1.8
211.13388	87.4
212.13712	4.7
213.14961	36.6
214.15276	1.6
223.13405	10.2
227.04677	2.6
233.11819	3.7
235.13295	4.4
239.12874	1.7
241.14432	100.0
242.14812	8.7
243.07755	3.0
243.15924	2.2
245.11655	1.9
251.12875	31.6
252.13260	2.0
253.14401	12.9
259.13266	9.8
263.12857	3.0
269.13913	4.7
271.15399	2.2
277.14395	17.3
278.14713	2.2
305.13971	7.5
315.10028	1.4
323.14978	5.6
330.15158	1.5
331.17422	1.6
344.12390	2.0
359.08575	6.4
359.14661	4.7
359.20978	2.2
360.08405	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66055	2.4
59.01374	9.3
61.98824	17.7
63.29589	2.2
65.74826	2.4
68.46910	2.4
73.02934	2.7
75.00876	3.6
85.02969	5.5
97.06540	3.0
104.77219	2.3
107.54658	2.2
111.08176	4.7
134.31303	2.3
137.87376	2.8
149.04564	8.3
157.98695	2.3
165.12842	52.0
166.13098	3.4
183.13896	100.0
184.14203	5.7
187.13264	2.8
201.15068	2.9
209.11778	7.6
220.83278	2.2
227.12891	84.1
228.13202	6.8
273.47778	2.7
287.22266	6.0
359.07788	4.4
359.17255	20.8
359.28040	29.7
360.28055	3.6
376.44095	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	359.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49688	0.5
59.01374	3.1
69.85168	3.1
71.01378	1.2
74.02461	1.6
85.02943	1.0
93.03475	1.1
98.19942	0.6
108.02171	0.8
113.02430	0.7
116.03512	0.8
121.02964	10.5
122.03741	2.9
123.00848	1.6
123.04496	0.9
124.01656	1.0
131.05048	0.9
132.04559	0.8
133.15596	0.6
135.04541	1.3
136.01633	0.8
136.05295	1.7
137.02414	1.7
138.03215	0.8
143.05013	1.5
144.30920	0.6
145.03015	0.7
146.03722	0.6
147.04506	5.1
149.02422	2.2
150.03223	7.5
151.03955	1.0
153.05571	1.1
154.45992	0.6
158.03717	6.7
159.04495	16.7
160.05292	44.4
161.06071	15.9
162.06444	1.0
163.04005	8.1
164.04785	7.4
165.05453	0.8
173.06082	6.8
174.03210	0.8
174.06813	0.8
175.03993	2.6
175.07634	35.7
176.04756	2.0
176.07967	2.2
177.05556	11.2
178.06319	9.5
179.06812	0.9
184.66388	0.7
189.05508	1.0
190.06273	1.4
191.07161	2.1
192.07910	2.1
192.51445	0.6
193.05125	0.8
193.08769	3.4
205.08672	1.7
261.08823	1.4
314.11581	0.7
327.78903	0.6
329.13916	100.0
330.14285	13.1
344.12643	0.7
359.15012	5.2
359.20236	0.8
360.15210	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10754	0.6
59.01375	45.9
60.01702	0.8
61.98827	7.7
68.09544	0.6
69.93158	2.2
71.01376	9.4
71.53561	0.5
72.99315	0.9
83.01376	0.6
84.10034	0.5
85.02944	1.6
89.01928	0.9
89.02438	9.8
92.02787	0.5
95.01336	0.8
98.20638	0.8
101.02431	7.0
102.02761	0.5
107.05019	16.5
108.02169	6.8
108.05414	0.5
113.02429	4.0
114.75019	0.5
116.41927	0.6
119.03571	4.6
119.05020	18.0
120.05305	0.5
120.46015	0.5
121.02957	1.4
125.02421	0.9
130.18280	0.5
131.04604	1.7
132.03091	0.9
135.04507	0.9
137.06078	65.0
138.01962	100.0
138.06381	2.6
149.02425	1.9
157.57758	0.5
164.04759	2.7
177.05540	1.0
178.05994	0.6
179.05864	0.7
179.07156	4.9
186.81201	0.5
195.06630	1.9
196.06995	1.2
197.05547	0.7
197.07152	1.8
299.11575	0.9
324.91559	0.5
355.12277	0.5
359.13666	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0982
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
59.01109	1.1
59.01376	12.7
61.98820	1.9
71.01385	6.3
71.06459	1.1
71.06799	1.0
73.02940	0.8
75.00839	0.8
77.54102	0.7
85.02963	1.7
89.02443	5.0
89.96563	0.8
93.74828	0.6
95.01385	3.0
99.04517	1.0
101.02434	3.1
107.05058	0.7
113.02443	2.8
117.00241	0.7
119.03494	1.9
119.05017	1.7
123.00884	36.2
124.01258	1.8
137.06084	2.0
137.68341	0.8
138.03229	50.6
138.89351	0.7
139.03578	2.1
140.01144	4.3
144.32338	0.7
153.05580	15.1
154.05928	0.9
155.03548	3.4
161.04604	1.5
161.08176	9.2
166.99843	9.9
168.24889	0.8
179.07115	0.8
182.02209	33.5
183.02560	1.3
197.04552	100.0
197.08189	3.4
198.04829	4.0
231.17644	0.8
299.11310	1.8
359.09775	4.2
359.13705	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	84.8
60.01696	0.8
60.64594	0.3
61.98836	1.2
71.50767	0.4
81.14953	0.4
81.54374	0.3
89.76765	0.4
90.97139	1.2
117.00493	0.4
118.96653	0.7
132.98216	1.2
139.01599	0.3
149.80647	0.4
156.99973	0.9
157.03555	3.0
159.01512	0.7
173.45892	0.3
174.99236	22.7
201.02539	25.9
202.02689	2.8
204.00000	0.5
217.00284	100.0
218.00578	3.2
274.99643	0.5
294.92331	0.4
299.00879	0.4
317.00705	0.9
359.01544	7.0
360.01563	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25664	0.6
53.39282	0.7
57.03450	3.8
59.01383	7.5
61.98828	4.2
65.00320	1.6
67.01880	2.0
68.99819	2.8
70.89287	1.3
71.01388	4.4
72.99299	1.4
75.00879	3.7
81.03451	2.6
81.49826	0.7
83.01382	16.3
85.02956	4.8
87.00858	1.1
89.02447	2.0
93.03456	2.5
95.01392	0.9
96.96004	1.7
97.02937	0.7
99.00876	0.7
101.02437	2.1
107.01384	2.4
109.02936	8.0
111.00854	1.7
113.02428	1.1
117.07309	0.7
119.05039	1.6
121.02949	14.9
123.00882	8.1
125.02442	38.4
126.02827	1.5
129.01917	2.0
134.04698	1.5
135.04495	2.0
137.02441	4.5
137.06107	0.8
138.03250	7.9
140.01164	4.3
149.02441	2.2
151.00375	14.3
151.04079	0.7
153.01929	100.0
153.05496	3.7
154.02246	3.0
155.03464	5.4
161.04594	0.7
163.04001	1.2
166.99829	2.1
167.03477	1.4
177.01895	2.4
177.04025	6.4
178.99860	4.7
179.03450	0.8
181.05072	7.7
182.02199	6.0
188.49413	0.6
195.03030	1.8
195.05112	2.9
195.23643	0.6
196.38899	0.7
197.04523	19.4
197.06207	1.2
198.04880	1.6
210.08290	0.6
287.07626	0.9
315.07166	9.3
341.05246	0.9
359.06088	10.9
359.09882	6.3
359.13379	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.0
61.98834	100.0
62.47870	6.2
71.00552	13.5
77.75433	6.4
83.01381	26.8
84.01727	6.8
107.08041	6.1
121.02920	9.1
141.08096	7.2
184.85927	6.9
192.25175	6.7
296.64514	7.0
358.13654	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.0
59.01384	25.8
59.26696	5.2
61.56728	4.1
61.98811	14.6
69.03413	4.6
71.00975	4.6
71.01336	11.4
81.03452	11.1
83.00924	7.2
83.01387	100.0
83.04990	4.5
84.02165	6.6
97.06564	13.0
106.58566	4.1
107.79144	4.2
109.02943	4.8
115.82336	4.4
121.02943	35.2
121.06544	5.9
122.03722	16.3
123.04459	6.7
125.09706	40.4
135.08148	8.3
136.01620	11.6
137.06050	13.7
137.09666	5.5
147.04550	5.6
151.03951	7.9
161.06012	4.4
163.11246	14.5
167.10748	6.9
170.31641	5.1
171.10260	12.7
181.12289	5.6
185.11858	5.2
191.10783	26.3
209.11803	48.9
221.08156	8.7
223.13283	12.3
226.12086	24.0
239.12856	7.1
241.14435	54.5
242.14862	6.3
289.18024	6.4
325.09610	4.9
342.10965	11.1
357.06204	7.7
357.13388	82.5
357.17346	3.5
357.26492	36.6
358.13675	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	358.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01110	3.1
59.01377	43.4
61.98820	31.9
63.70194	3.6
67.01871	3.5
69.41147	18.8
71.01376	15.6
72.00910	2.6
72.01649	2.2
74.02469	100.0
75.00871	10.0
76.01196	2.2
80.85155	2.5
82.02990	5.4
82.06615	5.0
83.01375	7.2
85.02962	6.2
88.67458	2.2
89.02433	12.5
98.02476	93.5
99.00876	4.5
100.00404	4.2
101.02442	7.2
109.02926	3.5
112.04029	3.7
113.02436	6.2
116.03545	4.6
118.05105	12.5
123.00863	9.9
123.04483	3.2
124.01192	6.4
125.03529	6.9
129.01968	4.1
131.04633	5.0
135.04530	3.6
137.06116	5.2
138.03207	10.2
139.03539	5.7
139.08746	5.5
147.04462	2.8
150.09248	4.5
153.05537	12.3
154.05876	10.4
168.10271	8.2
169.09746	7.0
175.04088	3.1
179.07031	3.6
179.11914	3.3
181.09859	2.7
182.02240	4.7
185.09280	2.9
189.05562	3.3
194.08224	20.0
195.05128	13.8
196.05379	6.5
197.04526	4.6
197.08180	3.9
207.11295	18.8
208.11714	2.7
212.09245	3.3
214.17006	2.5
225.12367	11.0
227.12898	4.6
241.05022	4.6
257.11423	9.6
263.05539	2.9
269.08490	2.3
269.11371	68.7
270.11841	6.1
284.35162	2.6
298.10208	5.9
301.33896	2.5
313.13986	23.2
314.13596	28.4
315.14059	3.2
316.11105	4.4
323.07516	7.5
340.08365	3.0
358.09024	4.0
358.16339	58.9
359.09299	4.8
359.15317	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	357.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
59.01377	100.0
60.01712	1.2
71.01372	5.5
71.53092	1.0
73.02935	2.2
83.01405	3.9
85.02951	3.5
89.02442	0.8
95.01384	0.6
97.02997	0.5
99.00861	1.2
100.79977	0.5
101.02459	3.9
113.02489	2.2
121.02994	0.7
122.03771	1.2
137.06070	0.6
151.04044	0.6
159.03017	0.8
161.04556	3.7
194.53636	0.5
195.05107	0.6
209.11824	1.0
210.07994	0.5
227.13000	0.5
315.18195	1.6
357.13382	3.3
357.26559	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12970	0.5
55.01882	0.5
56.04552	0.4
57.03447	0.9
59.01377	100.0
60.01705	1.2
60.76469	0.4
71.01379	7.3
73.02933	2.4
83.01388	8.7
85.02957	3.1
89.02460	1.2
95.01397	0.8
99.00900	1.2
101.02443	4.1
108.24281	0.4
113.02435	2.1
121.02987	1.4
122.03732	2.6
123.04514	1.0
124.74274	0.5
125.02467	0.6
135.04568	0.6
136.01631	1.0
137.06091	1.3
147.04509	1.1
151.04059	1.3
159.02963	0.5
161.04578	3.4
163.04150	0.6
175.04077	0.4
195.05087	0.7
209.08083	0.6
209.11884	1.1
221.08261	1.4
285.20825	2.3
298.24487	0.5
315.18259	1.2
342.10941	0.9
357.06641	0.6
357.13382	10.4
357.17361	0.8
357.22729	1.0
357.26566	2.2
358.07736	0.5
358.13904	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01713	1.3
61.98835	0.9
68.95628	0.4
71.01363	0.7
71.05043	0.5
83.01382	8.5
85.02940	0.6
95.04481	0.5
98.19917	1.0
99.75142	0.5
104.26482	0.5
108.05813	0.4
109.02973	0.5
115.73792	0.5
121.02952	5.0
122.03761	1.7
123.04564	1.2
127.33856	0.5
135.04535	0.7
136.01625	0.7
137.06107	0.8
147.04573	0.7
151.04034	1.4
183.13914	1.4
204.07104	0.5
214.11565	0.5
217.14180	0.5
221.08208	1.3
223.13365	8.7
227.12981	1.4
297.12033	0.6
297.17184	2.1
313.11130	0.5
318.20462	0.5
342.10748	0.5
357.06201	1.9
357.09747	0.5
357.13358	8.4
357.26584	0.7
358.13739	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15980	0.6
59.01378	100.0
70.06117	2.4
73.14506	0.6
79.55038	0.7
83.01413	2.4
88.25552	0.6
91.62960	0.7
121.02933	2.0
140.27411	0.8
178.93420	0.6
181.32060	0.7
223.13345	3.4
232.68268	0.7
297.17023	1.1
357.13388	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	357.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76826	0.7
56.81649	0.6
59.01379	100.0
60.01729	1.2
60.89128	0.6
61.98843	1.5
63.11246	0.6
71.01371	1.0
72.47588	0.6
80.23813	0.8
83.01388	13.8
93.03388	0.7
121.02946	9.1
122.03766	3.3
123.04568	1.1
123.20589	0.7
136.01686	2.1
137.02498	0.6
137.06105	1.8
147.04507	1.2
151.04001	1.3
181.06612	0.8
191.07262	0.9
199.00258	0.7
221.08095	1.2
223.13351	3.5
276.44180	0.7
286.74829	0.8
342.11172	1.6
357.06277	3.0
357.13409	17.6
357.26370	1.5
358.13727	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	1.7
59.01378	42.5
61.07954	1.1
69.34058	5.9
69.34466	1.9
71.01377	18.4
75.00863	3.0
83.01380	1.8
85.02959	4.5
87.00868	1.1
89.01934	1.6
89.02444	19.2
95.26043	1.2
98.19905	1.5
99.00905	1.6
101.02438	13.4
106.39388	1.1
113.02419	7.9
119.03488	8.0
123.00871	3.0
123.04539	2.2
129.01912	1.7
135.04503	3.6
136.05263	3.3
138.03188	4.3
145.47858	0.9
151.03999	1.8
151.07637	1.7
153.01804	1.0
153.05589	5.0
156.74409	1.0
161.02341	1.4
162.03217	63.2
163.03706	3.5
169.22536	1.0
174.59265	1.0
177.05557	100.0
178.05853	5.4
179.03485	1.4
179.05537	1.7
195.05020	8.1
195.06609	29.0
196.07016	2.1
203.44908	0.9
205.63622	1.2
209.04424	1.3
218.79271	1.1
297.09833	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40152	0.4
55.01875	0.9
57.03431	0.7
59.01380	100.0
60.01707	0.6
69.35318	3.0
71.01375	6.3
73.02962	1.8
83.01385	6.2
85.02956	3.0
89.02472	1.1
94.28935	0.4
95.01381	0.5
99.00885	0.8
101.02431	3.3
102.71049	0.4
113.02453	3.1
120.24884	0.4
121.02984	1.3
122.03753	1.6
123.04552	0.7
123.41116	0.4
136.01653	0.6
137.06099	0.7
147.04572	0.6
151.04002	0.8
161.04559	2.6
161.05821	0.5
194.96040	0.5
195.05086	0.7
268.01813	0.4
315.18045	3.3
322.00684	0.5
342.11246	0.6
357.13425	6.0
357.17453	0.6
357.22870	0.7
383.09918	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84177	0.8
57.03440	1.0
59.01376	28.4
59.95578	0.8
61.98825	3.7
71.01378	4.2
75.00881	5.8
83.01383	2.5
85.02949	4.2
87.00838	1.0
89.02448	1.8
94.20094	0.8
95.01381	0.9
99.00862	1.4
101.02443	1.9
108.02168	2.5
109.02948	7.4
113.02455	1.1
119.05014	3.1
121.02981	2.3
123.00884	6.2
123.04510	3.2
126.37965	0.7
129.01927	3.5
134.03731	1.3
135.04512	10.6
136.05310	11.6
138.03194	7.7
149.06105	0.8
150.03265	0.9
151.03996	1.6
151.07622	4.3
153.01942	1.0
153.05562	8.6
159.03029	0.9
162.03183	0.8
163.04034	1.5
167.27553	0.8
177.04071	3.0
177.05585	1.3
179.03520	4.3
180.04173	0.8
195.05060	13.1
195.06619	100.0
196.06967	5.7
211.07335	0.7
248.68739	0.7
297.09741	1.5
315.10971	2.2
319.95584	0.8
339.07175	1.0
357.08078	2.5
357.12234	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	357.0614
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
55.71473	0.3
56.16819	0.3
56.30452	0.3
59.01375	3.3
64.21555	0.4
70.08351	0.7
70.08742	0.7
83.01369	1.7
93.03419	0.4
106.32407	0.3
113.50271	0.3
121.02950	100.0
122.03237	3.7
123.04494	0.3
126.75122	0.4
159.35634	0.3
164.04720	0.3
165.01866	0.8
180.04517	0.3
180.05783	2.0
181.06583	6.4
182.06934	0.6
209.11954	0.4
225.05560	5.5
285.20667	0.8
308.74716	0.4
313.07150	9.8
314.07532	1.1
322.39648	0.3
357.06140	39.1
357.13333	2.2
357.26346	0.5
358.06445	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	356.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64570	2.8
53.66799	3.1
59.01384	3.7
59.15264	3.1
61.98828	100.0
66.72118	2.7
69.65723	7.3
69.66149	10.0
75.45456	2.9
83.01389	43.0
85.02964	4.4
98.19993	6.2
118.40598	2.9
121.02963	14.3
122.03745	10.3
126.06317	3.0
136.01617	4.4
137.06091	6.5
147.04521	3.5
151.04060	5.4
209.08075	3.0
221.08195	4.1
271.08020	3.5
313.14188	2.7
342.10938	6.2
356.12384	3.3
356.19754	6.4
357.13406	61.1
366.51572	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	356.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.6
61.98828	100.0
62.43101	1.6
69.26124	7.5
69.26545	6.3
71.01376	1.9
83.01391	15.5
85.02946	3.2
90.35374	1.7
90.74675	1.6
95.49712	1.6
121.02965	6.7
122.03776	3.9
136.01634	2.1
137.06049	2.7
147.04588	1.9
151.03992	3.8
201.35875	1.9
221.08174	1.7
267.72705	1.6
273.61575	1.6
356.19974	2.0
356.25034	2.2
357.13361	20.0
362.39899	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
64.51727	0.5
66.39153	0.4
69.85093	2.5
101.54678	0.4
126.25156	0.4
141.95152	0.4
221.15486	0.7
221.85652	0.5
263.58673	0.6
329.85074	0.5
357.13528	0.8
378.37372	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33947	0.4
56.33718	0.5
57.03455	1.3
59.01369	2.1
61.98823	1.4
70.04149	2.2
71.01383	2.1
72.01708	0.5
72.99268	0.7
75.00867	1.7
83.01367	0.6
85.02944	11.0
86.03286	3.7
89.02489	0.5
107.03769	0.6
108.04555	100.0
109.04882	2.9
111.00870	0.9
120.05338	0.7
125.13413	0.5
129.01892	1.5
131.88406	0.5
132.52119	0.5
147.02992	0.7
150.05598	92.7
151.05971	4.5
151.21910	0.5
166.67049	0.5
177.05589	0.7
191.01968	3.1
192.02373	2.9
193.02382	0.6
195.05083	5.5
195.06561	0.8
203.93390	0.5
209.03024	6.0
210.03333	4.5
239.99097	0.6
356.10303	0.8
357.08350	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2278
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
61.98832	4.5
73.74426	1.8
85.02946	7.3
98.19775	1.8
109.93603	2.1
122.03741	7.5
127.07654	3.2
129.17310	1.7
135.04507	21.5
143.13306	2.0
149.06036	3.0
149.09689	7.5
151.07555	2.6
161.09740	8.8
163.07700	2.3
163.11290	40.6
164.08424	15.5
164.11610	3.9
165.09230	7.0
177.09192	57.6
178.09911	13.8
179.10764	66.7
180.11058	3.3
191.10768	8.4
193.08687	7.7
251.42049	2.1
280.14746	2.4
298.15707	43.0
299.16266	2.8
307.17093	1.9
337.21738	53.6
338.21780	4.8
340.20419	78.9
341.20758	8.7
355.22800	100.0
356.23245	16.8
375.83215	2.0
377.79294	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.3
66.36289	0.9
70.83286	1.3
70.83632	1.1
75.00870	11.3
84.02162	19.3
84.99354	0.9
85.02973	2.2
87.00871	1.2
90.72571	0.8
99.04526	8.5
119.05028	58.0
120.05354	2.9
132.02197	1.4
134.03743	5.6
134.20773	1.1
143.03503	1.0
145.02936	1.4
149.06049	1.2
158.25098	0.8
160.00485	0.9
160.01645	5.7
163.04004	100.0
164.04359	5.1
175.03998	8.7
178.02716	1.8
191.05600	4.1
193.05032	9.0
195.94000	1.1
209.06648	39.2
210.06979	1.4
225.18260	0.9
252.04988	0.9
355.10315	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	355.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.8
57.64840	0.8
59.01379	10.9
61.40487	0.8
69.30253	6.8
71.01381	5.5
75.00864	7.2
83.01356	1.1
84.02161	2.1
85.02948	8.7
87.00860	1.9
89.02435	3.6
95.01355	0.9
98.19855	1.3
99.04536	0.9
99.19250	0.7
101.02432	1.9
111.00907	1.0
113.02444	1.7
117.03504	0.8
119.03511	0.7
119.05007	7.0
120.05323	1.2
129.01942	1.2
129.49849	0.8
132.02171	12.6
134.03731	11.7
145.02956	2.4
147.04536	1.1
147.97629	0.8
149.06068	2.3
160.01653	67.0
161.01955	3.7
161.04500	1.6
163.03987	10.9
166.94945	0.9
175.03993	100.0
176.04320	5.9
189.27441	0.8
191.01993	1.5
191.05615	1.0
191.07137	2.1
193.05051	25.1
202.02736	1.2
209.03040	2.4
209.06635	13.8
217.05013	3.8
235.06058	3.0
295.08173	2.9
327.08847	1.2
334.32999	0.8
355.10382	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	355.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80217	0.8
51.70823	0.9
59.01378	3.2
60.48806	0.9
68.20921	0.9
71.01387	1.7
71.95713	0.8
72.99306	3.4
73.93224	0.8
75.00869	53.1
75.24120	0.8
84.02168	19.7
85.02959	2.2
87.00847	1.4
97.03008	1.4
98.20667	2.0
99.04514	11.5
101.02422	1.9
103.04026	1.7
117.03435	1.1
119.05029	23.4
145.02919	8.0
149.84045	1.1
159.03351	0.8
163.04004	21.9
191.05602	32.5
193.05133	1.2
209.06642	100.0
210.06940	3.1
237.56764	0.9
248.34155	0.8
264.89835	0.8
279.08713	1.3
302.56039	1.0
355.10306	28.6
356.10657	3.0
373.14142	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64488	0.6
59.01368	4.5
70.27239	1.6
70.27633	1.6
71.01393	1.5
72.99317	1.9
75.00868	38.5
79.01897	1.1
80.76289	0.7
84.02164	18.2
85.02949	1.8
87.00865	1.7
93.03472	0.8
97.02946	0.9
99.04517	9.1
101.02441	1.2
103.04009	0.8
117.03455	1.1
119.05019	27.3
120.05387	0.9
129.01944	0.8
145.02940	6.5
161.04504	0.8
163.03996	31.2
164.04382	1.7
172.17143	0.7
191.05605	38.7
192.05943	2.2
202.34116	0.7
209.06644	100.0
210.07007	3.6
278.77008	0.7
279.08676	1.5
337.09250	1.3
355.10263	23.0
356.10605	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	352.067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.1
61.98826	100.0
69.73857	2.4
74.11945	0.4
74.61978	0.5
82.38565	0.4
88.70813	0.5
92.87628	0.4
98.70814	0.4
103.72218	0.5
113.25297	0.4
113.51792	0.5
228.12550	0.5
233.04599	0.5
271.09308	0.5
302.29938	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2117
Annotation	Guayulin B
Peak:m/z	Relative Intensity
54.97863	0.2
56.29376	0.2
57.65984	0.2
65.70129	0.2
70.58693	0.5
70.59034	0.2
78.83309	0.2
79.08691	0.2
79.95734	0.9
85.70648	0.2
93.30295	0.2
96.96007	5.7
107.99532	0.2
115.97828	0.2
122.97594	0.4
145.47495	0.2
147.08160	0.3
163.11276	87.1
164.11601	4.9
177.09195	67.7
177.12349	0.4
178.09532	4.2
222.09001	0.4
239.59512	0.2
242.30853	0.2
285.65851	0.2
353.21149	100.0
354.21509	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	355.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
59.01368	3.2
69.03457	0.6
70.65289	1.3
71.01387	1.3
72.53974	0.6
72.99306	3.7
73.02919	0.6
75.00871	45.1
83.01403	0.7
83.62145	0.5
84.02165	9.5
85.02950	4.8
87.00877	2.1
88.01693	0.5
96.34179	0.5
97.02931	0.7
99.04510	10.1
101.02444	2.1
103.04005	1.4
111.00898	0.7
113.02467	1.1
117.03440	0.9
119.05032	11.4
129.01895	1.6
133.53606	0.6
134.03751	7.5
143.03551	0.6
145.02921	1.0
146.08253	1.4
161.04558	1.4
163.04005	15.5
163.42064	0.6
187.07581	0.6
191.01907	0.6
191.05641	5.8
193.05049	8.5
209.06653	100.0
210.06995	3.7
298.26553	0.6
325.17105	0.5
355.10284	3.5
356.20880	2.2
359.54147	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01720	1.9
61.98829	1.8
70.01447	2.1
70.43645	0.5
83.01386	0.7
108.04559	2.5
112.61356	0.5
121.18187	0.5
122.06128	1.5
136.04028	1.2
138.05592	2.6
152.57718	0.6
163.03941	0.6
166.03915	0.5
166.05035	3.0
167.05913	2.9
168.06671	0.7
177.05577	0.7
185.40115	0.5
202.12239	1.0
204.06651	0.9
210.04143	1.1
218.08253	0.8
235.08591	1.4
249.10060	0.7
249.13506	1.2
251.05658	1.2
264.12509	1.4
289.11935	2.4
307.12967	7.8
308.13483	0.9
351.11844	9.5
351.15646	0.7
352.12271	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1198
Annotation	Dibenzo[h,rst]pentaphene
Peak:m/z	Relative Intensity
58.49654	1.3
59.01378	21.4
59.53238	1.4
61.98822	4.3
67.88547	1.4
71.01368	4.6
71.13390	3.3
75.00866	1.7
77.03708	1.6
80.05067	4.3
85.02927	6.8
90.03481	1.8
92.05051	2.0
94.06611	6.1
96.96020	8.4
101.02447	1.8
108.04565	21.4
110.06052	1.6
111.00899	3.6
113.02439	2.3
119.03519	1.6
119.04996	2.0
122.06131	14.5
123.03225	1.9
124.04021	2.1
136.04051	10.7
138.05600	20.5
140.07164	4.7
144.52168	1.4
145.02943	4.1
148.04025	4.4
152.03508	14.8
161.04576	1.7
163.03938	1.6
166.05090	27.8
167.05869	22.9
168.06613	10.8
174.12881	3.3
184.06116	3.6
184.11371	2.6
188.07133	2.3
189.07919	4.0
190.12398	2.0
202.08708	2.3
202.12347	7.1
204.06628	7.2
204.10136	2.2
205.03537	1.5
205.07367	1.7
210.04074	9.5
211.08844	1.9
213.06592	2.5
216.06911	1.8
216.09044	1.7
217.07521	2.0
218.08220	4.8
228.08928	2.5
229.09837	4.8
231.11322	4.6
232.09740	3.0
235.08449	16.6
241.09708	1.9
243.11287	3.2
246.11313	4.9
249.10022	7.8
259.10928	4.8
264.12384	10.8
271.10834	4.7
289.11917	27.7
307.12991	86.8
308.13669	3.6
333.10727	9.6
351.11942	100.0
351.16107	5.1
352.12253	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.1
57.03443	3.5
58.00581	2.8
59.01380	100.0
61.98830	25.5
67.01881	1.6
69.03442	1.5
71.01382	63.3
71.51299	2.1
72.01725	1.4
72.99308	5.8
73.02945	10.9
75.00868	3.5
83.01386	4.8
84.02174	5.1
84.04147	1.3
85.02950	20.4
85.03458	1.5
86.00087	1.5
87.00867	4.9
88.04011	1.7
89.02445	44.6
90.02750	1.5
95.01408	8.5
96.96017	1.9
99.00871	5.9
99.04521	3.7
101.02443	40.4
101.93529	1.5
109.03006	1.4
111.00884	2.6
111.04465	2.6
113.02447	24.7
113.36293	1.2
113.99608	1.8
114.02686	1.5
119.03481	19.6
125.02421	2.1
127.04008	2.3
129.01953	28.1
131.03513	6.8
132.06654	2.1
143.03497	7.1
145.04987	2.0
153.01872	1.8
153.66776	1.2
159.02942	1.8
161.04567	14.5
168.62064	1.5
171.02968	3.8
179.05592	7.0
189.07701	1.5
192.95834	3.1
204.08727	1.8
221.06718	7.4
248.94269	1.8
282.25275	1.5
291.10840	3.8
292.14075	5.3
351.09296	26.7
351.13089	3.2
352.09232	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	349.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01700	1.5
61.98823	4.3
68.56078	1.6
71.01382	10.8
71.53218	2.1
84.99741	1.5
85.02948	3.8
89.02458	9.6
101.02415	6.8
113.02407	5.1
116.24985	1.4
119.03506	3.4
143.03531	2.1
148.05139	1.6
161.04518	3.1
169.12247	5.3
227.65643	1.7
289.16589	2.7
349.12808	8.0
366.37967	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69836	0.6
55.57088	0.5
59.01367	0.9
61.57557	0.5
61.98828	100.0
68.65572	0.4
71.53764	0.5
98.78812	0.5
102.42083	0.7
135.04546	1.5
151.00369	1.5
225.98503	0.5
287.05130	0.8
330.28455	0.5
336.64313	0.5
351.05554	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32816	0.5
59.01380	3.6
61.01028	0.4
61.98833	0.5
65.03963	1.4
67.66762	0.5
69.31116	3.1
69.31532	1.1
76.24416	0.5
79.95287	0.7
79.95728	8.8
91.05522	4.8
93.03455	1.4
101.02430	0.6
108.02145	4.1
109.02944	33.5
110.03245	1.0
111.00890	1.1
119.04993	0.8
121.02946	8.3
123.04525	6.9
124.04849	0.6
132.02097	0.5
132.46214	0.5
133.02893	1.0
134.03723	5.9
135.04515	50.4
136.04807	2.0
147.04507	11.5
148.05261	1.0
149.06064	12.5
174.01660	3.2
186.06889	1.1
197.06042	1.3
199.03957	0.9
203.10747	1.0
206.20955	0.5
211.07614	0.6
212.08446	1.7
213.05421	0.9
214.06355	2.7
223.78148	0.4
227.03473	0.9
229.08690	3.8
238.06339	2.8
239.07124	0.6
241.05093	3.9
253.08653	2.1
255.06511	1.1
256.07373	6.5
271.09723	85.2
272.10095	8.1
351.05392	100.0
352.05713	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	349.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75197	0.5
57.03445	0.5
59.01377	100.0
60.01708	0.5
60.54001	0.5
61.98835	2.7
65.35158	0.5
70.72247	0.9
71.01391	3.4
72.00938	0.7
73.02952	1.4
74.18298	0.4
83.01428	1.1
85.02953	1.4
99.00893	1.0
100.00430	2.1
101.02448	3.3
113.02480	2.1
117.03469	1.4
119.05020	10.1
119.29642	0.5
142.06613	3.4
145.02945	6.2
161.04608	2.0
179.61296	0.5
186.05632	1.6
203.08313	1.2
229.06192	5.7
269.04547	2.5
286.04407	4.5
289.16565	2.4
349.12143	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1866
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.69638	0.6
58.00586	1.1
59.01379	32.2
61.98829	9.4
71.01379	16.7
71.19601	1.4
72.01726	0.9
72.99292	3.0
83.01385	1.3
85.02960	3.2
89.02447	13.4
95.01376	1.8
100.74621	0.6
101.02444	10.3
113.02460	6.5
119.03500	5.0
131.25772	0.7
135.00900	1.4
141.12854	27.4
142.13132	1.0
169.12335	5.3
171.13892	1.3
179.05574	1.2
183.13852	2.6
187.13390	54.9
188.13716	2.8
229.14413	1.6
252.04181	0.7
267.06693	1.5
269.08231	3.2
340.10861	0.7
349.18652	100.0
350.18954	9.2
371.25818	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1867
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.80578	0.7
57.03429	0.9
58.00581	2.7
58.93239	0.6
59.01378	62.6
60.01711	0.9
61.98809	2.1
69.55394	3.4
71.01379	41.9
72.01718	1.1
72.99297	2.9
73.02936	2.8
83.01383	2.5
85.02934	8.7
87.00876	2.9
89.02438	33.5
95.01379	3.4
99.00875	1.3
101.02438	28.6
113.02450	15.5
119.03491	17.0
131.03479	2.0
141.09181	1.2
141.12813	1.6
143.03477	1.5
147.99117	0.7
149.04501	1.4
161.04558	3.2
169.12314	11.6
170.12627	1.3
179.05641	2.6
187.13380	4.8
269.04553	10.7
270.04831	1.6
305.62872	0.6
307.46579	0.7
309.62683	0.8
349.00256	1.2
349.18637	100.0
350.19070	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	349.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89880	0.6
55.01876	2.9
57.03450	3.5
58.00596	2.7
58.36013	0.7
59.01377	100.0
60.01709	1.6
61.98817	1.4
69.03463	1.3
71.01379	69.0
72.01718	1.3
72.99308	4.2
73.02949	10.4
73.04067	1.2
75.00872	2.8
83.01383	5.3
85.02946	19.1
86.03334	0.7
87.00875	3.2
87.04513	1.4
89.02441	57.2
90.02747	0.8
95.01386	5.6
96.04539	0.8
97.02908	0.9
98.02472	1.1
98.19859	1.5
99.00881	4.1
100.77017	0.7
101.02438	44.6
112.04041	1.0
113.02444	29.2
114.02765	0.7
116.92879	1.2
119.03498	26.9
119.58866	0.6
125.02445	1.2
127.08785	1.6
128.03519	8.2
129.01961	1.4
131.03496	2.7
133.06920	5.8
139.05133	2.3
143.03499	5.9
147.04553	1.6
149.04514	2.1
155.04494	0.6
156.03021	0.8
159.02975	2.3
161.04558	17.7
161.05888	1.0
164.07153	1.7
166.01448	0.8
171.07738	3.6
174.63953	0.6
177.04131	1.0
179.05641	9.0
185.11786	1.3
187.13388	9.5
195.05099	0.7
201.11349	1.2
215.06789	0.8
243.11243	1.0
287.10382	2.4
303.09924	1.9
331.09308	1.7
332.09354	0.9
349.10251	4.4
349.14996	3.0
349.18628	68.7
350.19031	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.8
59.01379	100.0
60.01710	1.3
65.93321	0.8
69.70276	4.5
71.01380	38.9
85.06577	5.5
97.97735	0.9
101.02420	1.3
131.07137	24.0
185.08182	8.2
201.11253	1.3
269.04727	1.0
275.11331	6.1
305.11371	10.1
349.10425	1.5
349.18478	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1863
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
51.01193	0.7
55.01884	2.2
57.03445	3.0
58.00597	2.8
59.01379	100.0
60.01725	2.0
61.98840	2.0
71.01379	69.6
71.05021	0.7
71.11861	1.3
72.01729	1.4
72.99310	5.8
73.02946	7.9
75.00875	4.1
83.01393	4.4
84.02180	1.0
85.02953	19.2
86.02506	1.0
87.00854	3.5
87.04518	2.1
89.02443	62.5
90.02772	1.3
95.01376	5.2
96.96003	1.1
97.02938	1.0
99.00871	3.7
99.04528	2.5
101.02441	42.9
110.06165	0.8
112.04072	1.1
113.02448	28.5
114.02823	0.9
116.92840	0.8
119.03495	26.6
119.04967	1.6
125.02472	2.1
127.08731	0.7
128.03545	7.3
129.01945	1.3
131.03484	2.3
133.06900	4.2
139.05113	1.0
141.09210	1.0
143.03484	4.4
147.04526	0.9
149.04556	2.2
159.03001	2.4
161.04550	17.6
163.03883	0.7
164.07120	1.2
169.12231	0.9
171.07727	1.7
179.05580	7.6
180.57776	0.8
187.13371	9.1
201.11398	1.3
205.86551	0.8
220.10149	1.1
243.11272	1.0
249.06067	0.9
287.10269	1.1
303.09958	1.0
331.09351	1.6
331.17810	1.4
335.80447	0.7
349.10635	3.8
349.14893	3.5
349.18625	35.2
349.48480	0.7
350.18961	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	348.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17311	10.8
58.26245	10.9
59.01365	40.9
61.98828	100.0
65.04974	10.8
71.45337	17.4
89.99983	11.5
96.96000	13.1
106.74411	15.6
130.50206	11.2
173.11952	10.9
179.28702	13.1
190.99683	11.0
273.22775	11.7
275.33142	12.3
300.28613	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	348.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27452	0.8
59.01377	100.0
60.01704	1.4
61.98831	2.0
71.52966	1.1
133.65245	0.8
220.05136	0.8
229.49065	1.0
248.40248	0.9
262.11304	0.9
285.03979	2.6
307.94302	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11650	0.2
55.96167	0.2
59.01370	0.3
60.12290	0.2
61.98828	100.0
62.98512	0.2
68.44041	0.2
70.99567	0.5
76.65327	0.2
158.21169	0.2
162.98466	2.2
177.87180	0.2
203.99959	0.5
205.00157	0.4
205.99765	0.6
206.97435	81.7
207.97539	5.6
348.98541	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51642	0.8
57.47715	0.9
59.01377	100.0
61.98831	6.1
71.01379	3.6
73.02943	1.1
75.00870	11.4
85.02938	1.8
101.02398	2.9
103.85634	0.9
125.02332	1.1
161.04486	1.8
179.27551	1.0
305.19601	2.4
305.41592	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01717	0.9
91.04012	1.5
97.46147	0.5
115.06533	0.5
119.70753	0.5
144.04555	0.6
146.06120	0.6
157.05385	0.5
190.05183	0.7
211.38225	0.5
213.15039	3.2
226.12430	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02027	0.7
59.01377	1.9
61.98829	14.0
65.00316	1.0
69.41376	4.1
69.41776	1.4
70.23499	0.7
83.01415	0.8
90.93034	0.8
107.01392	2.2
133.02954	12.3
149.02429	2.4
151.00343	6.3
175.04022	3.0
179.26361	0.8
199.04025	3.2
201.01944	0.9
241.05081	1.3
269.04495	1.4
285.04025	100.0
286.04382	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	348.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08002	0.8
59.01375	36.9
60.01728	1.4
61.98828	100.0
66.44775	0.9
70.50394	0.7
70.67184	1.9
71.01387	3.4
72.99313	1.3
77.47310	0.7
85.02963	1.4
89.02435	4.5
101.02460	2.9
113.02450	1.5
119.03509	1.6
133.03004	0.9
138.37796	0.7
141.12852	8.8
142.94305	0.7
144.17947	0.7
151.89461	0.7
169.12360	1.2
183.13977	1.0
187.13364	14.5
253.04680	0.9
268.06992	1.3
285.01376	0.9
285.03976	3.8
304.11954	2.0
349.18616	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.6
58.00589	2.0
59.01376	68.0
60.01704	1.2
61.99101	0.9
69.57044	6.0
71.01379	40.9
71.01779	2.1
72.99303	2.8
73.02930	2.8
83.01350	2.0
85.02948	10.7
87.00871	1.9
89.02441	29.3
95.01376	3.6
99.00852	1.5
101.02438	24.9
108.42103	0.9
113.02440	14.8
119.03519	14.2
121.10262	1.9
125.02429	1.0
126.86314	0.9
131.03459	1.5
143.03511	1.7
161.04553	2.1
166.35831	1.0
167.10760	16.2
169.36946	0.9
179.05505	2.0
185.11880	4.1
185.13367	0.9
198.81827	0.9
199.09721	1.1
232.96538	1.0
347.17102	100.0
348.17395	9.9
355.67523	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1707
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01886	0.7
57.03442	1.0
58.00585	4.2
59.01376	100.0
60.01684	0.9
60.56621	0.7
69.87938	4.3
71.01379	54.3
72.01697	1.0
72.99323	4.0
73.02915	1.4
76.45119	0.7
77.30764	0.8
83.01382	2.6
85.02942	9.3
87.00845	2.7
89.02441	56.3
90.02786	0.9
95.01398	3.8
99.08133	1.1
101.02435	34.9
113.01720	1.4
113.02448	18.8
115.04021	0.9
119.03494	30.1
131.03497	1.3
143.03488	3.1
149.04559	1.8
149.62918	0.8
161.04492	2.2
167.10765	39.2
168.11078	1.8
177.79028	1.1
179.05585	4.1
185.11783	2.2
203.38513	0.9
229.14394	2.4
249.14159	0.8
264.49097	0.7
347.17065	72.9
348.17291	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	347.1709
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
57.03440	1.4
59.01377	100.0
60.01709	0.8
66.34436	0.5
71.01381	11.0
73.02948	4.0
80.02718	0.5
82.71364	0.5
83.01393	1.8
85.02944	5.0
85.31165	0.6
87.00905	0.7
89.02451	3.3
95.01418	0.8
99.00889	1.1
101.02430	8.6
109.02953	0.5
113.02443	4.7
119.03521	1.3
121.02969	1.6
125.02450	0.7
143.03487	0.8
143.10789	1.8
157.27550	0.5
159.03000	0.5
161.04576	3.1
165.05632	1.6
166.05881	1.3
179.05612	0.7
179.07109	0.8
180.07541	0.7
215.12920	0.9
287.15149	0.6
287.93686	0.6
305.16074	5.6
347.17749	2.7
347.20926	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
55.04840	0.6
57.03444	1.2
59.01376	100.0
59.68137	0.5
60.01709	0.8
71.01373	10.5
71.05041	0.9
71.53191	0.6
73.02950	4.2
75.00877	1.2
79.13863	0.5
83.01400	1.6
85.02936	4.9
89.02460	2.1
95.01376	1.1
95.50281	0.6
98.02406	0.6
99.00900	1.0
101.02444	5.6
104.03548	0.9
113.02459	3.8
119.03504	1.0
129.01950	0.7
131.12338	0.5
135.43002	0.5
143.03558	0.7
143.10808	2.3
161.04562	3.1
168.00638	0.6
182.02179	1.4
183.02924	0.9
185.03517	1.4
197.93880	0.5
199.05069	0.8
273.08749	0.7
303.09653	0.6
305.15994	5.7
329.06854	0.9
330.06744	0.6
347.08615	3.5
347.17252	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	347.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
55.04840	0.6
57.03444	1.2
59.01376	100.0
59.68137	0.5
60.01709	0.8
71.01373	10.5
71.05041	0.9
71.53191	0.6
73.02950	4.2
75.00877	1.2
79.13863	0.5
83.01400	1.6
85.02936	4.9
89.02460	2.1
95.01376	1.1
95.50281	0.6
98.02406	0.6
99.00900	1.0
101.02444	5.6
104.03548	0.9
113.02459	3.8
119.03504	1.0
129.01950	0.7
131.12338	0.5
135.43002	0.5
143.03558	0.7
143.10808	2.3
161.04562	3.1
168.00638	0.6
182.02179	1.4
183.02924	0.9
185.03517	1.4
197.93880	0.5
199.05069	0.8
273.08749	0.7
303.09653	0.6
305.15994	5.7
329.06854	0.9
330.06744	0.6
347.08615	3.5
347.17252	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	347.1247
Annotation	Achillamide
Peak:m/z	Relative Intensity
50.07785	2.4
52.48018	1.9
57.03443	3.4
59.01122	2.3
59.01385	30.9
65.72969	2.2
69.03454	3.5
69.61707	13.2
71.01385	17.6
73.02961	5.3
75.00861	3.8
79.05527	2.0
81.03445	2.3
85.02940	6.9
86.91085	2.3
87.00891	3.2
89.02439	12.1
95.05010	6.5
98.19931	2.0
101.02442	9.9
107.03734	2.7
108.04604	2.5
110.06114	73.6
111.06433	2.5
113.02433	8.4
113.82526	2.4
115.76373	2.3
116.05083	19.9
118.06635	10.2
119.03439	3.9
119.04984	2.0
120.01168	2.0
122.06122	83.8
123.06429	2.6
125.02499	3.4
128.03525	14.4
132.04564	3.1
137.02472	2.5
144.04544	76.5
145.04877	3.7
159.10266	2.3
161.04666	6.2
162.05603	53.0
163.06291	6.8
166.64059	2.2
170.35550	2.1
171.07686	4.4
188.03593	12.4
191.05765	3.9
193.04872	2.3
195.05264	5.4
199.09731	4.1
200.07091	3.6
219.06380	2.4
224.10728	4.2
230.11823	3.7
240.08961	2.6
241.13406	4.7
242.11833	3.2
249.05391	5.9
252.09105	5.2
255.11330	20.0
260.12817	5.2
267.11371	72.3
268.11615	5.1
273.12482	15.2
285.12436	100.0
286.12759	10.9
303.13525	25.6
311.10309	5.6
329.11340	7.5
347.12543	35.6
347.17120	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	347.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65906	2.0
54.89613	1.7
55.01880	3.3
55.25298	1.7
57.03445	9.7
59.01370	20.2
61.98839	2.4
67.01898	5.1
68.99812	3.3
70.80261	5.4
71.01376	49.2
72.99311	2.6
73.02932	10.4
81.03426	1.9
83.01373	8.9
85.02945	10.5
87.00871	5.6
89.02448	2.7
93.03441	10.0
96.96001	2.4
99.00874	36.5
101.02433	3.3
107.47223	2.0
111.00867	18.0
111.04523	5.8
112.98803	87.4
115.00362	6.2
121.69834	1.8
124.98834	8.7
125.02437	40.7
129.01917	19.1
131.03427	1.9
142.99855	100.0
144.00169	2.8
145.01431	7.6
155.03539	4.7
158.70357	1.8
172.97667	6.2
173.00882	66.0
173.04515	20.0
174.01224	3.2
174.04832	2.8
174.07629	4.1
175.02425	2.7
191.05565	3.1
191.13780	1.8
263.43033	2.0
271.07236	1.9
275.84387	2.0
300.25848	2.2
308.56781	1.8
347.02829	3.2
347.07687	8.0
347.11487	4.1
353.34164	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.5
59.01377	37.2
61.98830	2.4
68.98830	1.3
71.01379	16.1
71.07353	2.1
73.02948	8.5
74.02448	1.4
81.03468	1.8
83.01370	7.3
84.04550	4.3
85.02951	5.3
85.75043	1.3
88.04038	1.5
89.02435	6.1
93.03417	1.6
100.13563	1.7
101.02437	7.5
102.05585	1.5
110.02452	5.6
111.69917	1.5
112.03242	2.7
112.04039	58.0
113.02442	13.7
119.03617	1.6
122.06108	4.9
122.06900	2.0
123.04500	3.7
124.04037	40.1
124.04816	1.6
125.02441	54.7
128.03513	5.9
140.07175	10.8
143.12947	1.4
146.08211	1.7
157.06201	1.7
161.04596	1.5
164.07152	2.6
165.05576	2.4
166.05064	84.7
167.05386	4.8
169.01375	1.7
180.06685	2.2
180.95300	1.4
184.06129	100.0
185.06459	4.6
198.07739	2.5
208.06120	6.9
226.07164	30.6
227.07376	2.1
256.08276	3.4
259.10056	1.5
286.09500	2.9
346.12363	7.5
346.16373	1.4
347.11383	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	346.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43539	0.2
53.83340	0.2
55.44971	0.2
59.01377	3.9
60.01716	0.3
61.98827	100.0
62.98511	0.2
69.76474	1.2
172.45244	0.2
201.02594	1.0
202.02707	1.7
203.02274	2.5
203.99985	48.0
205.00131	3.8
311.79440	0.2
322.08368	0.3
346.00867	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42388	3.0
59.01371	6.4
61.98831	100.0
71.53712	3.4
83.89313	3.5
132.25980	3.0
141.12123	3.3
219.44154	4.0
232.13602	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	346.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10121	3.5
51.47386	2.6
59.01366	5.3
61.05767	2.5
61.98828	100.0
64.16244	2.7
71.42290	3.9
79.28349	2.7
92.60848	3.2
92.62044	3.0
137.21278	3.0
143.84181	2.8
291.19595	5.2
292.19925	3.9
299.03845	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	345.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45063	0.7
57.12850	0.9
59.01379	100.0
60.01708	0.9
61.98814	1.3
71.00741	1.1
71.01075	1.2
138.38692	0.8
169.51477	0.8
183.13956	1.0
211.13403	7.8
227.12831	1.6
345.22986	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18515	1.5
55.60597	1.5
59.01372	4.2
61.98814	6.8
65.62306	1.6
69.98503	6.7
71.05026	1.5
75.29489	1.4
80.02660	3.2
81.03492	2.7
83.05034	8.4
84.02181	2.4
99.48167	1.6
99.65506	1.8
121.02895	2.0
125.06024	1.6
129.09180	3.6
135.08189	2.3
141.09189	2.3
146.64316	1.8
163.11249	6.1
165.12810	5.3
178.01337	2.0
179.02187	2.7
185.11823	10.6
191.10667	3.0
194.04523	5.1
197.11797	6.6
209.11823	100.0
210.12132	5.2
244.83904	1.8
271.82916	1.8
299.91959	1.6
304.13101	1.7
323.16049	1.8
330.02191	1.7
346.09103	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	345.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78491	1.8
55.01880	3.2
57.03434	2.5
58.00579	2.2
59.01377	100.0
69.17179	3.7
69.17599	15.0
71.01376	54.7
72.99294	4.3
73.02923	5.8
80.45530	1.6
83.01391	4.2
85.02951	15.6
87.47534	1.6
89.02440	48.5
90.02806	2.1
95.01373	4.7
99.00880	2.2
101.02431	36.9
102.02737	2.0
113.02441	21.8
119.03493	23.0
121.02940	2.0
121.10202	11.1
131.03468	2.0
132.04570	3.2
133.05331	2.2
143.03477	2.3
147.72363	1.7
149.04472	2.0
161.04504	4.7
165.04276	2.3
165.05519	2.1
165.09190	16.2
179.05527	3.4
183.10220	3.8
191.60512	1.8
301.11981	2.2
345.10925	11.3
345.15451	98.7
346.15738	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	345.1552
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
50.42460	1.2
51.84792	1.1
55.01861	2.1
57.03440	2.4
58.00582	4.2
59.01377	100.0
60.30532	1.2
65.43760	1.2
69.56268	5.8
69.56677	2.9
71.01379	56.9
72.01686	1.7
72.99294	3.4
73.02937	5.4
83.01375	4.0
85.02942	13.8
86.76595	1.3
87.00872	3.0
88.38694	1.3
89.02442	55.8
95.01404	5.9
98.20671	1.8
101.02438	39.7
113.01698	2.5
113.02436	21.5
119.02672	1.7
119.03500	27.4
121.02924	1.9
121.10243	15.1
131.03462	2.2
132.04549	3.6
143.03473	2.8
144.02657	1.3
153.65327	1.3
155.41409	1.4
161.04509	3.1
165.04326	1.6
165.09195	17.2
179.05521	2.0
183.10237	3.4
232.31970	1.4
345.11163	6.9
345.15500	98.9
346.15826	7.2
358.95465	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01643	0.8
57.03426	1.0
59.01367	6.7
61.98821	5.7
71.01372	1.7
73.02957	0.9
75.00877	9.5
81.03442	1.4
83.05017	6.4
87.65415	0.9
89.02450	1.5
101.06068	1.8
110.00131	0.9
111.00886	1.5
117.01940	2.1
135.02989	47.1
136.03258	1.0
145.05017	1.9
165.12839	27.2
166.13200	1.9
183.13898	100.0
184.14288	5.6
199.85374	0.9
209.11853	1.8
215.03391	0.9
217.10600	1.0
227.12878	81.2
228.13177	4.7
233.90678	1.0
243.02985	2.2
281.00891	1.7
287.02078	1.1
315.01300	1.4
330.03601	4.1
345.06290	8.7
345.15515	28.0
345.19366	2.1
345.22647	3.5
346.15723	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	345.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97268	0.5
57.03429	0.9
59.01370	1.5
70.96729	1.5
71.01374	0.6
73.02943	0.5
75.00858	2.9
97.06502	0.5
111.08152	1.7
117.01940	1.1
135.02995	10.6
165.12842	28.5
166.13193	1.0
183.13892	100.0
184.14224	6.3
191.10648	0.7
201.85693	0.5
209.11830	2.2
227.12878	83.9
228.13206	5.6
309.50064	0.5
345.15530	31.5
346.15897	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	345.1553
Annotation	Kankanoside A
Peak:m/z	Relative Intensity
52.06263	0.9
58.00582	2.7
59.01378	49.9
66.85900	1.1
67.91050	1.0
69.03471	1.3
70.86946	0.9
71.01371	26.2
72.99302	3.7
73.02937	1.6
76.44370	0.9
83.01381	2.2
85.02935	6.5
87.00870	1.7
89.02444	27.8
95.01426	1.6
101.02441	19.7
110.46765	0.9
113.02460	10.2
114.35699	1.0
119.03488	9.5
121.10232	34.8
122.10526	1.5
137.09711	8.7
149.04541	1.0
165.09200	55.8
166.09541	3.2
171.10249	1.0
179.05568	1.8
183.10255	30.5
184.10567	1.7
325.69385	1.0
335.81982	1.3
345.15512	100.0
346.15875	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	345.1089
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
57.03428	1.3
59.01363	5.3
62.25924	0.8
70.74001	1.7
70.74335	1.0
71.01376	2.6
72.06110	0.8
84.42932	0.8
85.02966	1.0
89.02448	2.6
95.03751	2.6
96.95982	2.0
101.02432	1.6
104.05043	1.6
106.06618	3.7
119.03519	0.9
121.10252	1.1
122.06094	2.6
124.07674	5.5
132.04553	34.0
133.05351	18.3
133.91101	0.9
134.06117	5.8
138.05559	1.4
148.04007	2.0
150.05594	1.6
165.04306	23.4
176.07164	1.3
177.04330	3.5
178.05060	2.6
183.10228	1.7
185.08347	0.9
186.09216	3.8
209.03328	4.9
210.03699	1.0
213.06755	3.9
214.12398	6.0
215.11836	7.3
226.07466	1.2
227.08133	0.8
229.09821	3.5
240.10402	1.3
241.09744	2.0
255.11440	1.2
257.12970	17.2
258.13339	1.3
275.21124	0.9
283.10876	7.2
301.11914	15.0
302.12283	1.9
327.09857	2.0
345.10892	100.0
346.11188	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	345.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	3.4
59.01376	73.1
61.98820	3.5
65.03955	8.6
71.01380	43.4
71.51846	3.1
80.02670	17.8
85.02930	8.0
89.02441	41.8
93.03471	3.2
93.07091	4.6
101.02431	24.5
102.04719	2.6
103.05534	80.2
106.04237	39.6
113.02457	12.9
113.32530	2.3
119.03507	19.0
119.05016	13.5
121.06591	100.0
122.06916	4.9
123.04517	2.4
124.01651	5.6
125.02430	4.5
128.03506	2.4
137.02440	2.9
139.03996	5.5
141.01857	3.6
161.04634	2.6
165.05569	86.4
166.05878	4.8
168.00574	6.4
183.02956	17.7
184.06117	4.3
208.98930	2.2
227.42282	2.4
307.07245	4.9
312.35748	2.5
345.08118	5.4
345.11807	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87972	3.7
52.84055	3.7
58.00581	5.0
59.01379	91.8
59.97910	4.2
61.98837	35.1
65.03951	7.1
69.44878	11.7
69.45303	20.2
71.01377	51.6
71.32134	4.6
73.02920	5.1
80.02660	18.6
81.48917	4.1
83.01392	5.3
85.02938	9.5
89.02448	44.0
93.03457	6.2
93.07068	6.3
95.01391	6.2
101.02450	30.4
103.05539	71.6
106.04251	35.9
109.02929	6.9
113.02426	17.7
119.03475	17.9
119.04990	16.0
121.02956	5.2
121.06599	94.5
123.00868	20.8
123.04529	13.6
124.01671	8.7
133.35545	4.9
139.03995	7.3
147.54262	4.6
162.02263	6.8
163.04010	4.8
165.05591	100.0
166.99794	26.0
182.02141	20.4
183.02988	25.5
183.06590	11.7
184.06053	5.4
184.94379	4.1
224.33762	4.5
295.10394	6.7
332.34927	4.2
345.07944	30.3
345.12045	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	344.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65139	1.2
57.03411	1.4
58.00577	4.8
59.01377	100.0
69.33463	0.9
69.33746	9.7
71.01379	60.5
72.99291	4.9
73.02917	2.3
74.33659	1.0
83.01363	3.3
85.02948	12.6
87.00846	3.5
88.04012	1.5
89.02438	65.4
95.01369	5.1
101.02438	29.0
109.02891	1.4
113.02450	26.7
119.03496	23.4
122.03678	1.2
124.07673	1.9
125.02443	2.2
130.08757	1.3
131.03546	1.4
132.04524	14.1
133.05284	6.2
134.06102	2.7
136.05275	1.2
143.03464	4.5
149.04562	1.6
152.03502	4.7
161.04570	6.0
165.04274	10.6
166.05081	18.2
177.04233	2.4
179.05588	8.6
180.03033	7.0
182.04573	57.7
183.04924	3.8
194.04533	2.3
197.03278	1.6
206.04498	3.7
209.03188	2.8
214.12320	3.1
224.05644	11.1
229.09854	2.1
229.14345	1.3
236.05615	6.0
254.06665	3.0
257.12842	10.0
283.10843	3.1
284.07718	2.9
301.11856	8.8
344.09772	83.6
345.10736	31.0
345.15311	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	345.0824
Annotation	Methyl gallate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03442	1.8
59.01378	4.2
69.03456	0.9
70.90815	1.1
71.01386	1.7
75.00859	0.8
77.03977	0.6
81.03448	0.7
83.01395	1.8
85.02934	0.9
89.02424	0.6
95.01439	0.7
95.05045	0.6
97.02946	0.7
99.00893	1.3
99.35652	0.4
101.02448	1.0
104.71800	0.5
106.39021	0.5
109.42580	0.4
110.00108	1.3
111.00880	2.1
111.04530	0.6
113.02509	0.6
121.02961	1.6
123.00900	0.6
123.04561	0.8
125.02483	0.6
125.75928	0.4
128.67400	0.5
135.01114	0.5
137.02441	5.3
139.00388	2.0
139.03993	0.6
139.11206	0.7
140.01208	0.8
141.01936	3.5
151.04004	1.3
153.01941	2.8
165.01915	7.4
165.05585	0.7
165.99062	2.3
166.99875	1.4
167.03514	0.5
181.01421	6.8
182.02202	100.0
183.02966	90.9
184.03334	3.7
195.03011	1.7
196.02499	1.1
202.01907	0.5
207.02927	0.7
227.12863	6.7
245.12027	0.6
249.61659	0.5
297.40231	0.6
345.08218	75.6
345.15317	3.2
346.08649	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	343.2487
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
59.01376	4.4
61.98825	2.0
69.03459	1.0
69.71719	0.8
70.49457	0.9
73.68053	0.9
90.90134	0.8
97.06602	0.8
99.08147	4.0
101.72678	1.0
121.10221	5.6
125.09738	1.4
127.11304	0.9
137.09637	1.1
139.11249	1.9
153.88266	0.9
171.10266	33.2
171.17053	0.9
172.10580	2.0
193.12334	10.1
194.12579	1.2
211.13380	2.6
225.14964	10.8
229.25549	1.4
240.10915	0.9
243.15981	4.8
293.21201	2.1
299.20093	2.0
343.24860	100.0
344.25229	11.6
349.42969	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63991	1.0
54.21180	1.0
59.01371	5.0
60.99083	1.0
61.98813	2.4
71.45349	2.1
80.18094	1.1
81.54746	0.9
82.18407	0.9
92.37711	1.0
116.36523	0.9
121.03014	1.2
121.10229	9.9
127.11320	1.5
137.09740	1.4
165.09250	1.5
171.10265	65.3
172.10591	3.1
293.21307	1.2
329.17892	1.1
343.24881	100.0
344.25186	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	343.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47937	0.8
58.11017	0.9
59.01379	4.6
61.98819	1.5
69.03443	1.2
72.99337	0.9
73.94071	0.8
77.34782	0.7
81.01392	0.9
83.05030	2.3
96.96029	4.4
97.06621	1.1
98.19844	1.3
99.08161	10.0
108.02167	2.2
121.03034	1.0
123.04515	3.5
124.54039	1.0
125.09698	2.9
137.09680	1.2
151.11200	1.3
165.12817	1.1
171.10277	6.4
175.11250	1.1
193.12314	14.7
194.12679	1.8
197.15366	1.2
209.11842	1.6
211.13295	4.0
223.13342	1.6
225.14949	22.5
226.15306	1.4
229.03566	1.3
234.55823	0.8
243.15964	7.4
289.18073	1.4
293.21097	1.3
298.91595	0.9
311.22189	1.2
343.24866	100.0
344.07751	1.3
344.25259	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	343.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30320	0.4
57.03447	0.7
59.01370	2.6
61.98827	3.1
65.61195	0.4
69.03430	0.8
69.50880	0.4
71.01379	1.6
71.05016	0.9
71.54181	0.5
72.99300	1.0
80.02667	3.1
81.03453	3.1
83.01398	0.5
83.05017	10.1
84.02163	3.2
85.02988	0.5
93.03442	0.6
95.05010	1.3
97.02936	0.5
97.06581	1.2
101.85691	0.4
103.92026	1.5
107.60233	0.4
109.02830	0.4
109.06580	0.5
111.04520	0.4
111.08154	0.8
112.83508	0.3
118.73029	0.4
121.02984	0.5
123.08160	0.4
125.06054	0.9
125.09708	1.3
127.07632	1.8
135.04478	0.4
135.08153	1.6
147.11766	0.7
163.11275	8.1
165.12837	5.3
166.13254	0.4
171.10246	1.9
181.12282	1.8
182.12711	0.5
185.11804	2.9
191.10826	2.4
195.42763	0.4
197.11823	3.7
207.10318	0.5
209.11806	100.0
210.12149	7.0
211.13382	0.5
214.09923	0.8
227.12845	0.4
237.31921	0.4
238.12202	0.5
239.19798	0.4
282.33136	0.4
289.18082	0.6
307.19101	1.4
313.03467	0.7
316.06058	1.2
343.08066	0.7
343.21207	1.9
344.04279	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.3
69.03496	0.8
70.54095	1.7
70.54482	1.7
71.01374	1.2
71.05031	1.3
71.98409	0.7
79.75510	0.8
80.02681	3.0
81.03455	3.1
83.05026	10.7
84.02154	4.7
95.05016	1.7
97.02978	0.9
97.06574	1.9
113.26501	0.8
118.42525	0.7
125.06126	1.5
125.09709	1.7
127.07636	2.2
128.32681	0.7
135.08138	1.3
138.60187	0.8
153.24542	0.9
163.11276	7.1
165.12781	5.7
171.10330	1.4
181.12444	1.4
185.11844	3.0
191.10771	2.4
197.11812	2.5
197.45435	0.8
209.11812	100.0
210.12122	6.7
220.16258	0.8
229.14380	1.8
237.94278	0.8
307.19025	1.0
343.21243	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	100.0
61.98812	45.6
67.44019	21.4
68.44285	26.3
69.03454	29.7
70.07468	50.9
70.07852	53.6
71.01408	21.3
77.16686	22.9
77.76831	25.8
83.05025	45.3
121.02911	24.6
209.11717	36.2
271.22787	57.5
289.18085	29.1
307.19089	39.9
343.21298	56.1
343.28601	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54785	0.8
57.02977	0.8
57.03437	3.7
59.01386	4.0
61.98826	2.3
69.56995	3.9
69.57400	1.1
71.01385	1.1
75.07364	0.7
76.77483	0.8
80.66167	0.7
85.02948	1.0
85.87066	0.7
98.06718	1.0
111.08151	2.0
115.03992	0.8
121.02973	2.0
133.05069	15.1
145.08615	0.9
165.01939	2.5
165.12839	32.5
166.13156	1.6
171.10239	0.9
183.13890	100.0
184.14218	5.2
209.11775	4.3
214.02791	0.9
227.12874	73.1
228.13228	6.2
253.01352	1.0
270.01682	2.1
285.04056	2.1
307.19116	1.0
313.03516	14.1
314.03845	1.3
328.02109	1.1
328.05826	2.4
333.38339	1.2
343.04080	1.8
343.08163	15.9
343.17599	15.3
343.24838	1.6
344.08466	1.6
344.18045	1.1
353.49811	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.28055	0.4
59.42069	0.3
59.79310	0.4
60.01726	0.9
69.44782	0.4
69.52599	1.9
71.01371	4.2
73.15828	0.4
89.02447	6.3
98.19834	0.8
101.02435	2.0
104.31680	0.4
111.27827	0.4
113.02466	1.7
119.03493	2.0
119.05060	0.5
121.02911	1.8
134.04828	0.7
136.89897	0.3
137.06067	0.5
143.03487	0.5
161.04631	0.7
161.06076	0.4
166.08739	0.5
179.05663	0.8
181.05110	1.6
235.30667	0.4
239.30965	0.4
242.19055	0.4
342.27985	0.4
343.08426	1.0
344.12717	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1031
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
57.03423	0.7
57.34538	0.4
59.01116	0.4
59.01381	6.0
65.00320	0.7
69.03459	0.5
71.01378	2.3
71.05014	0.6
73.02927	1.7
81.03449	2.9
83.01381	0.9
85.02955	0.7
89.02443	1.3
90.59592	0.4
93.03426	0.4
95.05015	2.2
97.02950	3.0
101.02458	1.8
107.01408	0.5
109.02919	0.4
109.06540	0.5
113.02430	1.0
119.03505	0.5
119.05032	0.9
119.08627	0.4
121.02963	1.9
121.06551	0.4
122.03747	1.0
125.02442	5.2
135.03004	0.4
135.08118	0.5
137.02460	0.5
137.06082	28.7
137.09712	1.0
138.06400	1.1
139.02286	0.5
139.04036	0.8
149.02460	0.6
151.00365	1.0
156.80048	0.4
163.03958	1.2
163.07689	0.8
166.06393	1.2
180.06685	0.5
181.05061	100.0
182.05386	4.9
200.08484	0.3
223.06070	0.9
225.07657	0.9
225.11269	0.6
280.82288	0.4
299.09488	0.4
343.08401	1.1
343.10074	0.8
343.13983	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1033
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
52.33847	0.2
53.51108	0.2
59.01375	6.2
61.98823	0.2
65.00330	0.4
69.41607	1.4
71.01389	0.6
78.94861	0.2
81.03431	0.3
85.02932	0.2
89.02447	0.4
93.35950	0.2
95.01392	0.7
97.02911	0.3
98.19935	0.4
101.02433	0.2
102.02335	0.2
105.03458	1.3
111.00893	0.2
111.55652	0.2
114.93299	0.6
121.02926	0.3
122.03728	0.4
123.00881	0.2
124.01670	1.0
125.10614	0.2
137.02385	0.3
137.06047	1.5
138.03215	6.0
139.04004	2.1
151.00365	0.8
157.82613	0.2
165.01913	1.7
166.02699	41.5
167.03053	1.7
179.03462	0.5
181.05049	100.0
182.05371	4.9
191.03352	0.2
198.01698	0.3
220.56520	0.2
223.06140	0.6
229.14522	0.2
302.29611	0.2
344.12186	0.2
346.13889	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	79.9
60.01698	0.5
61.98841	0.4
70.68886	0.6
85.24055	0.2
89.12118	0.2
113.04593	0.5
125.53913	0.2
139.23401	0.2
143.33600	0.2
157.03552	7.3
158.03752	0.6
159.01534	1.4
201.02541	100.0
202.02696	8.8
343.03699	3.4
344.03830	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.3
68.47287	0.4
69.96347	1.8
71.01388	2.6
71.59235	0.4
75.00873	1.3
76.34627	0.4
80.24366	0.4
83.01373	1.0
85.02959	1.6
86.51603	0.4
89.02470	0.8
90.15142	0.4
93.03440	0.5
95.01379	6.5
97.02955	0.4
98.56488	0.4
98.84245	0.4
101.02441	0.7
108.02167	0.8
109.02938	1.2
111.00862	0.9
113.02448	0.8
119.05022	1.6
120.05361	0.9
121.02963	2.8
122.03770	0.8
123.00885	100.0
124.01686	32.8
125.01973	0.8
125.61663	0.4
127.71005	0.4
135.04529	0.7
137.02417	2.1
137.06073	0.9
138.03230	52.6
139.04018	52.3
140.04349	1.5
149.02451	1.5
150.03206	0.9
150.71243	0.4
151.03996	0.9
153.01987	0.5
161.04572	0.9
163.04001	3.1
164.04361	0.9
164.28188	0.5
165.01926	2.5
165.04552	1.4
166.02763	2.1
178.02670	0.9
181.05066	6.6
193.05110	2.0
195.05070	1.6
196.05418	1.0
197.05591	2.8
204.32251	0.4
223.05980	0.5
237.71219	0.5
283.08215	1.2
301.09119	0.6
343.10300	8.5
344.10623	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94086	3.9
59.01377	59.0
71.01380	100.0
71.52531	7.5
73.02968	6.2
81.03464	8.8
83.05019	6.8
85.02944	5.1
87.99035	3.5
89.02441	23.1
97.02943	19.3
97.06567	22.3
101.02443	6.1
109.06590	87.1
110.03755	4.7
113.02446	9.4
119.03510	9.5
119.05026	5.6
121.06609	9.0
135.08157	14.1
136.05316	8.1
142.02699	9.7
161.09686	5.5
163.03989	5.9
163.11264	45.4
171.10248	12.3
177.04054	6.1
179.05644	12.3
179.76619	3.9
181.12354	19.7
195.05119	10.9
199.09734	17.8
207.10249	95.3
208.10596	5.9
225.11392	25.5
228.20712	4.4
341.10648	16.4
341.23312	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76309	0.3
57.03437	0.9
59.01378	2.3
62.79660	0.3
69.03461	2.1
70.39223	0.8
71.01377	1.4
80.02654	0.4
81.03440	0.5
83.05039	1.7
84.02168	2.4
85.02937	0.6
89.02431	1.1
95.05016	0.7
97.02943	0.8
97.06583	12.2
99.04509	0.8
101.02435	0.6
111.08202	0.4
119.03535	0.4
119.08646	0.5
121.10174	0.6
125.09711	2.2
127.11282	0.5
130.08745	0.6
137.09668	1.0
149.13310	0.5
151.11282	0.6
155.21802	0.4
163.11267	0.4
165.12833	0.8
171.10263	11.2
175.11252	1.1
177.12874	0.6
181.15953	0.4
183.13930	0.5
185.11819	0.6
193.12326	15.9
194.12619	0.7
195.05119	0.6
197.15385	0.9
203.10695	0.5
211.13393	3.5
221.11816	1.4
225.14951	22.5
226.15259	1.7
243.15979	7.9
244.16325	0.9
253.14458	1.1
273.18637	0.5
291.19708	1.2
305.21274	0.6
309.20734	0.4
323.22098	0.4
341.23291	100.0
342.23642	12.0
343.94498	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.5
59.01372	3.3
61.98795	0.4
67.01886	0.4
67.76923	0.4
69.03448	2.2
70.80209	0.4
70.80547	0.7
71.01384	1.8
72.23144	0.3
75.00841	0.4
76.94808	0.3
83.05003	1.1
84.02156	1.5
85.02930	0.8
89.02432	1.8
95.05013	0.8
97.02934	0.4
97.05975	0.7
97.06583	10.4
98.06934	0.4
99.04501	0.9
101.02440	1.0
107.14128	0.4
107.76292	0.3
111.08177	0.5
113.02436	0.6
119.00571	0.4
119.03513	0.8
119.05018	0.8
121.10238	0.6
123.08165	0.4
125.09699	1.6
130.78113	0.4
131.10765	0.3
137.09697	1.1
147.11763	0.4
147.18422	0.4
147.54170	0.4
149.13324	0.9
163.03999	1.0
165.12842	0.9
171.10254	6.7
172.10623	0.5
175.11235	1.4
177.03981	0.5
177.12845	1.0
179.05615	0.8
183.13869	1.1
185.11755	0.7
193.12318	15.7
194.12619	0.6
195.05089	1.7
195.38196	0.4
197.15532	0.8
207.73300	0.5
211.13359	4.9
221.11810	1.7
223.17055	0.6
225.14940	20.8
226.15312	0.9
243.15987	8.8
244.16287	0.9
253.14442	1.2
273.18658	0.7
291.19540	1.2
305.21280	0.4
341.23282	100.0
342.23627	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	341.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73287	0.9
51.05144	0.9
54.08516	0.8
57.03444	1.5
58.02711	1.6
58.02974	20.0
58.14618	0.8
59.01380	13.8
60.52250	1.0
62.74385	0.9
66.34536	0.9
69.03461	1.7
69.32569	3.2
69.32997	4.1
70.02977	23.8
71.01384	8.1
71.02498	2.8
72.00889	1.6
75.00854	2.9
85.02944	3.1
87.00861	1.2
87.05621	2.7
89.02453	9.3
95.02508	2.6
96.00913	48.5
97.01266	1.4
97.53322	1.1
101.02434	4.8
109.02928	2.0
111.02020	1.5
113.02426	1.6
113.03564	18.2
114.01966	37.2
114.05618	2.2
119.03496	2.9
119.04983	4.6
129.01909	3.1
131.03706	0.8
131.04614	27.3
163.04027	7.5
165.12852	3.4
177.04070	5.3
179.05591	3.0
182.15471	36.7
183.15802	1.4
189.01875	1.3
195.05045	10.3
208.13466	1.7
208.17059	3.8
225.11378	1.1
225.16084	12.4
226.12164	1.8
226.14468	37.6
227.14832	1.7
236.16402	1.6
255.02971	5.7
271.00403	1.0
279.17126	18.7
283.02612	5.3
297.04037	3.7
297.17920	1.8
298.04718	3.2
305.14822	1.4
323.16116	22.4
324.14346	1.7
326.04379	2.4
341.06113	6.8
341.10471	3.7
341.17120	100.0
342.17413	8.8
351.52097	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.2
57.03436	2.3
58.00595	4.3
59.01377	100.0
61.98828	22.2
70.12553	4.4
71.01380	61.2
72.99301	3.0
73.02951	5.2
75.00875	2.9
83.01396	2.5
85.02953	16.2
87.00890	3.6
89.02441	69.1
90.02799	1.3
94.04774	0.9
95.01405	3.5
96.96017	2.9
99.00855	1.5
101.02434	35.2
103.04005	2.1
113.02441	22.4
113.03171	1.8
114.02749	1.0
119.03503	26.8
119.05000	14.9
119.07117	1.4
125.02462	1.0
129.01953	2.1
131.03516	4.5
133.05087	1.6
135.04529	1.9
143.03502	6.7
149.04572	2.9
159.03067	1.2
161.04565	14.0
163.04007	27.3
164.04404	1.2
177.04031	1.9
179.03717	2.8
179.05591	25.4
195.05119	6.8
274.66705	1.2
281.12430	27.3
282.12744	2.5
341.10950	35.6
342.11282	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1238
Annotation	Bidenoside D
Peak:m/z	Relative Intensity
53.88958	1.2
55.01866	1.5
57.03447	2.9
58.00587	1.9
59.01377	100.0
59.47730	1.1
60.01728	1.2
67.64485	0.9
69.03473	1.3
69.75558	6.2
71.01377	57.1
72.99298	5.2
73.02942	65.7
74.03275	1.2
75.00871	18.7
75.13044	0.9
76.55091	1.1
81.23474	1.0
83.01383	15.6
84.02174	1.1
85.02939	12.0
87.00880	5.1
89.02438	29.6
95.01386	2.3
97.02939	1.2
99.00882	4.7
99.04608	1.3
101.02438	59.1
101.44853	1.0
109.02945	4.8
111.00849	1.7
113.02448	15.0
119.03553	9.5
119.05018	35.0
120.05413	1.4
121.02952	1.2
122.94685	0.9
125.02426	4.5
126.45771	1.0
129.01924	10.5
131.03491	4.4
135.04477	1.0
137.06114	3.8
143.03479	4.6
145.02907	2.9
149.02391	1.2
149.04556	4.0
151.00385	1.1
155.03487	2.0
159.02998	2.0
161.04555	10.1
161.05969	2.0
163.03990	21.5
164.04584	1.8
168.94322	0.9
173.00839	1.3
177.04022	17.4
178.04393	1.5
179.03471	2.5
179.05588	11.7
179.07156	3.0
193.05038	4.9
195.05083	40.8
196.05432	1.4
223.06142	2.6
247.02554	1.0
271.08679	1.1
299.11093	1.2
323.07880	1.2
341.08789	12.3
341.11880	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	341.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
57.03435	1.3
57.43597	0.7
58.00597	2.9
59.01376	100.0
69.46869	4.4
69.47263	1.8
71.01378	72.3
72.99307	3.0
73.02960	3.0
83.01398	2.7
85.02941	9.4
87.00867	4.4
87.40948	0.8
89.02438	91.7
90.02822	1.2
95.01359	3.9
98.19948	1.5
99.00905	0.8
101.02440	31.8
113.02442	28.7
114.02829	1.1
119.03493	34.9
119.04974	1.7
125.02452	1.8
125.54141	0.7
131.03506	6.2
136.04665	0.8
139.95241	0.7
143.03494	7.9
149.04549	6.4
161.04564	8.8
162.44226	0.8
163.03989	2.9
179.05594	37.9
180.05858	1.1
218.96873	0.7
273.68918	0.8
305.06689	0.8
341.10861	53.6
342.11111	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	341.1084
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
55.41595	1.0
57.03436	2.0
58.00576	2.8
59.01376	100.0
60.01709	1.2
61.29614	1.0
70.41986	3.3
71.01378	75.6
72.01694	1.3
72.99300	3.1
73.02941	2.9
75.00851	2.7
83.01397	1.7
85.02950	12.9
87.00883	5.8
88.53225	0.9
89.02441	86.1
90.02750	1.2
95.01388	4.2
97.02931	1.7
99.00881	2.0
101.02434	32.4
112.66199	1.0
113.02442	30.0
114.02774	1.1
119.03499	34.2
119.04984	8.8
125.02460	1.1
129.01903	1.2
131.03482	4.9
143.03494	7.5
149.04578	6.1
149.05647	1.3
151.51953	1.0
161.04573	11.4
163.03998	17.5
179.05589	42.4
180.05943	1.5
195.05020	2.7
210.94363	1.0
244.56357	1.0
341.10870	54.1
342.11414	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	341.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21537	1.0
57.03435	5.8
57.08535	1.1
59.01379	11.5
63.61698	1.0
69.62325	6.8
71.01384	10.5
72.99310	2.7
75.00867	38.3
85.02948	10.0
87.00874	9.6
89.02441	4.3
93.03431	1.4
98.20727	1.3
99.00885	5.7
101.02460	1.3
111.00875	1.9
117.03473	2.4
119.05025	30.3
125.21930	1.1
129.01947	17.1
141.01915	2.9
145.02957	7.1
159.02986	5.0
161.06064	2.4
163.03996	40.1
164.04353	1.8
177.04033	50.4
177.05586	2.5
179.07028	2.9
192.96730	1.1
195.05083	100.0
196.05386	2.0
205.05081	1.5
323.07706	3.1
341.08740	74.3
342.09015	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	341.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	3.5
59.01368	5.1
67.01824	0.6
69.85696	2.3
69.86106	1.2
71.01376	8.8
71.42307	0.8
72.99303	3.4
75.00869	19.4
77.50711	0.8
85.02949	10.7
87.00872	3.5
89.02435	2.6
97.02937	0.9
99.00869	8.4
108.96603	0.7
109.81116	0.6
111.00882	2.5
119.05024	53.5
120.05399	2.0
129.01935	20.7
135.04475	1.5
141.01921	1.1
145.02982	1.2
159.02995	7.3
163.04005	100.0
164.04364	4.1
177.04034	17.2
177.05556	1.1
195.05090	89.1
196.05429	2.6
205.05028	0.9
243.09251	0.9
341.08713	15.1
342.09183	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1086
Annotation	Sucrose
Peak:m/z	Relative Intensity
55.01852	0.6
57.03449	1.7
57.66068	0.5
58.00589	3.0
59.01377	100.0
60.01716	0.9
71.01380	68.5
71.51131	0.6
72.01735	1.3
72.99307	3.6
73.02972	1.6
83.01402	2.0
85.02949	9.3
85.08523	0.5
87.00870	4.3
89.02443	87.6
90.02791	1.6
95.01381	3.5
97.02988	0.8
101.02440	34.6
102.02794	0.7
102.38544	0.6
107.03532	0.8
109.60619	0.5
113.02450	26.1
113.52454	0.5
114.02816	0.8
115.04015	0.6
119.03497	32.9
120.03880	0.7
125.02478	0.8
126.43571	0.5
131.03523	4.5
143.03497	8.8
149.04543	4.2
156.16325	0.5
161.04552	11.9
179.05600	39.6
180.05992	1.4
191.05675	0.6
275.63803	0.6
341.10855	56.5
342.11130	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	341.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16637	0.9
57.03445	3.6
58.51646	0.7
59.01382	5.5
69.63515	3.7
69.63921	1.6
71.01372	7.3
72.99301	3.1
75.00869	25.4
75.01303	1.2
75.15353	0.8
85.02953	9.1
87.00866	3.5
89.02447	2.9
98.19958	0.9
99.00888	7.4
101.02458	1.4
111.00855	2.4
117.01982	0.8
119.05022	45.1
119.67072	0.7
120.05364	2.0
129.01941	18.0
130.02280	0.9
135.04561	0.8
135.84926	0.6
138.19008	0.6
141.01962	1.6
145.02957	1.6
149.07127	0.6
159.02966	8.3
163.04001	69.9
164.04349	4.3
177.04031	17.5
178.04344	0.7
179.03467	0.8
184.50893	0.7
195.05087	100.0
196.05460	3.1
204.92101	0.6
205.04936	0.7
322.40875	0.8
341.08740	21.4
342.09045	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89547	1.1
55.01869	1.5
57.03436	4.1
59.01374	7.4
67.35637	1.2
69.62061	5.0
69.62469	1.8
71.01389	10.4
72.99313	2.3
75.00871	24.1
82.44415	1.2
85.02956	9.4
87.00890	6.9
89.02419	2.5
93.03358	1.1
98.19900	2.2
99.00880	3.9
101.02431	1.5
111.00902	1.5
119.05019	27.5
124.61421	1.1
129.01932	15.6
133.06607	1.4
145.02931	5.1
159.02960	5.2
161.06039	3.2
163.03995	49.2
164.04288	1.1
177.04030	68.5
178.04352	1.4
194.63795	1.2
195.05087	100.0
196.11552	1.3
265.07205	2.9
323.07733	5.0
335.21719	1.2
341.08731	70.2
342.09195	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14511	1.1
57.03449	7.9
57.54827	1.2
59.01076	1.2
59.01376	19.0
61.03688	1.1
63.35711	1.2
65.63428	1.0
69.72980	2.1
69.73380	5.5
71.01379	15.6
72.42747	1.1
72.99314	3.1
73.02934	2.8
75.00867	40.6
83.01347	2.6
84.02152	1.7
85.02942	13.8
87.00876	10.2
89.02441	7.0
92.72459	0.9
93.36382	1.0
99.00881	6.5
101.02431	3.8
109.49783	1.2
111.00877	3.0
113.02422	1.8
117.03497	1.3
117.58034	1.0
119.05020	36.6
120.05428	1.2
128.04924	1.1
129.01933	20.7
133.06551	1.2
141.01974	2.0
145.02957	5.5
159.03032	6.5
159.04100	1.3
161.06094	3.4
163.04004	43.7
164.04321	2.3
177.04033	56.3
178.04375	1.4
179.07112	1.7
195.05084	100.0
196.05450	2.8
205.05167	2.0
215.48997	1.0
227.32124	1.0
243.01122	1.2
323.07581	3.9
341.08719	60.7
342.08987	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	339.2325
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
72.14230	0.2
73.48615	0.3
89.82838	0.3
93.19990	0.2
122.76239	0.3
147.08192	0.3
161.08243	0.3
163.11278	100.0
164.11591	5.7
183.01105	0.3
261.31046	0.3
294.54422	0.3
296.87259	0.3
339.23245	56.1
340.23569	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.6
57.03432	0.7
58.25404	0.6
59.01377	100.0
60.01706	1.5
70.86515	1.9
71.01385	3.7
73.02950	1.8
82.79560	0.7
83.01381	1.7
85.02938	5.8
85.35684	0.6
89.02438	1.1
99.00898	2.1
101.02439	4.0
109.02966	0.7
113.02451	2.6
119.05015	1.7
124.28239	0.6
131.03479	5.9
143.03519	0.6
148.01743	0.8
148.79883	0.5
159.03029	0.8
161.02477	1.0
161.04544	5.4
175.02490	1.0
176.01089	1.5
177.01915	9.0
177.04138	1.3
193.03383	3.1
279.14444	9.8
326.59735	0.6
326.98993	0.6
339.07413	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	339.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01702	1.1
60.02466	0.5
69.86400	1.0
69.86796	1.8
71.01380	2.7
73.02956	1.3
76.21214	0.5
85.02948	2.0
89.50880	0.6
99.04625	0.6
101.02440	2.9
113.02484	0.8
119.05032	0.7
146.49744	0.6
148.30588	0.6
151.24141	0.5
161.04552	2.1
163.04065	0.7
164.25951	0.7
177.05551	1.2
279.14450	4.2
280.14780	0.6
297.01645	0.7
310.89450	0.6
327.08997	0.8
349.05655	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01723	1.0
61.98838	0.7
69.85780	3.2
71.01383	2.6
73.02966	0.9
83.01392	0.6
85.02958	3.1
89.02431	1.3
95.01405	0.6
99.00908	1.9
99.34001	0.6
101.02457	3.6
113.02470	1.6
119.05039	0.8
131.03531	2.7
133.02991	0.9
138.05624	0.6
148.01656	1.3
159.03056	0.9
161.04529	3.6
163.04024	0.8
173.07233	1.0
175.02562	0.7
176.01187	1.1
177.01917	5.0
177.04062	1.2
191.08360	0.8
193.03584	1.2
205.06198	0.9
219.07819	1.0
240.83446	0.6
279.14465	10.7
280.14868	0.8
339.07275	1.3
339.12158	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.1
67.75269	0.7
69.86195	1.4
69.86589	1.7
71.01366	1.6
72.99286	2.8
75.00862	1.2
89.02414	1.3
91.58043	0.7
96.96025	0.8
97.06589	0.8
99.00880	0.8
111.08147	0.8
112.98831	0.7
117.01938	2.5
117.03429	1.1
125.06126	1.1
135.03032	0.7
135.04567	0.8
142.99861	4.6
145.02940	3.9
149.06061	1.1
153.05554	1.6
163.04025	1.7
167.07133	2.2
173.00912	2.5
174.01691	3.2
179.07121	1.2
179.32306	0.6
181.08659	0.7
191.08676	1.9
193.05070	1.5
193.06636	1.0
195.04587	0.7
199.09831	0.6
203.07121	0.9
207.08087	2.2
209.11877	1.1
211.06081	1.0
217.06569	1.5
218.07365	0.9
219.08162	2.2
220.05183	0.8
221.06064	2.7
222.06793	0.7
223.07591	1.5
225.05519	1.2
225.07465	1.0
225.09372	1.2
233.06120	1.6
234.06836	1.6
235.07597	6.2
237.09126	2.2
239.07129	2.1
243.08801	0.8
245.06042	2.3
246.06847	2.2
247.07538	1.9
248.04800	1.1
251.07053	1.9
252.08075	0.8
253.04959	1.0
253.08684	5.2
262.06345	2.8
263.07101	18.4
264.07715	3.0
265.08563	1.1
268.10944	2.4
271.08194	0.9
273.05557	0.7
274.06207	1.5
275.07050	1.9
276.07919	1.3
279.06659	1.5
280.07401	2.2
281.08191	32.4
282.08484	2.5
291.06644	7.4
292.07257	3.1
293.08185	8.2
294.08902	4.1
295.09702	1.6
296.10501	5.6
303.10818	0.8
306.09103	0.8
307.09912	3.8
308.07083	1.5
308.10452	6.5
309.07675	100.0
310.07996	9.2
323.09229	20.7
324.09995	68.7
325.10367	5.6
339.12338	77.4
340.12689	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	339.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.9
61.98816	0.7
71.01398	1.1
71.19672	1.2
74.69872	0.7
79.95727	2.2
85.13564	0.7
96.96005	100.0
101.02456	0.6
108.02209	0.7
117.03461	1.3
130.08629	0.5
145.02986	2.9
147.04544	0.7
163.03984	1.6
173.02510	0.6
174.23375	0.6
179.07153	1.3
191.08675	1.1
193.06654	0.8
207.08133	2.2
209.09502	0.6
217.06537	1.7
219.08142	1.9
220.05280	0.7
221.06044	2.0
223.07611	1.2
225.05705	1.1
225.09169	1.0
233.06039	1.1
234.06790	1.8
235.07629	4.5
236.07988	1.0
237.09175	1.3
239.07095	1.5
245.05995	1.0
246.06865	1.2
247.07622	2.5
251.07283	0.6
252.07788	0.8
253.08681	3.3
261.05362	0.7
262.06320	2.3
263.07089	14.4
264.07681	1.7
265.08823	1.6
268.11075	2.3
274.06329	0.9
275.07162	2.0
276.07886	1.0
278.09412	1.4
280.07373	1.6
281.08188	25.7
282.08560	2.5
291.06589	5.4
292.07355	1.9
293.08188	7.4
294.08917	2.7
295.09671	1.0
296.10544	3.8
306.09131	0.7
307.09775	2.9
308.07037	1.3
308.10336	5.0
309.07672	75.7
309.10757	3.2
310.08029	7.7
323.09219	22.2
323.13089	0.9
324.09985	49.1
325.10278	4.6
339.12338	56.7
340.12692	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	11.2
67.01881	1.4
67.21078	0.8
68.15511	0.8
68.99807	1.0
69.03450	63.7
69.48372	0.7
70.03798	1.2
70.04456	3.7
71.01365	2.4
77.03977	0.9
79.01886	21.7
81.03469	1.8
83.01413	1.2
85.02940	5.6
90.52256	0.7
91.70345	0.7
93.03465	1.3
95.01382	14.3
96.96021	1.4
97.02944	42.1
98.03265	0.8
98.20006	1.1
101.02534	0.9
107.01379	24.2
107.04982	1.2
108.02172	16.9
109.02944	29.1
113.02456	2.4
117.19357	0.8
121.02972	5.0
123.00871	15.1
123.04518	1.8
125.02441	38.2
126.02733	1.1
133.02953	4.1
134.03760	1.0
134.06081	2.2
135.00873	2.4
135.04520	2.5
136.01604	2.5
137.02455	7.2
145.02933	1.3
147.04526	0.9
149.02429	13.1
151.00346	16.7
151.03990	1.3
152.01074	1.4
153.01921	100.0
154.02296	3.4
161.02461	1.7
163.03970	2.9
167.03479	3.1
175.03984	0.9
177.01901	6.5
178.05034	1.1
179.03441	1.5
191.03435	1.5
195.03009	1.1
200.20129	1.1
207.02849	0.9
215.12712	0.8
225.54109	0.7
279.05078	24.3
280.05447	0.7
281.08231	1.4
297.06119	36.8
298.06479	2.8
300.74820	0.7
309.07608	1.9
324.10092	2.0
339.07193	29.0
339.11502	1.2
340.07593	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11800	0.5
52.68520	0.5
53.85734	0.6
59.01377	100.0
59.98411	0.6
60.01702	0.7
64.51450	0.6
70.89827	1.2
71.01382	6.6
73.02956	0.8
85.02956	3.0
87.04516	0.7
89.02442	9.8
101.02436	4.2
113.02448	3.7
119.03506	4.4
143.03508	1.1
149.04559	0.9
161.04541	1.6
163.04041	1.0
179.05591	3.0
277.13007	2.0
337.15228	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	337.2382
Annotation	Sclerophytin A
Peak:m/z	Relative Intensity
59.01378	18.8
66.62041	1.7
71.52937	3.6
74.76117	2.0
78.95900	2.9
92.08125	1.9
102.20103	1.9
102.81313	2.0
111.08154	26.8
115.72260	1.9
195.14067	1.8
197.08556	2.2
197.15451	6.4
198.14037	2.4
225.14943	100.0
226.15279	7.6
227.16353	4.5
239.16519	13.8
255.15938	2.7
281.07938	2.0
291.19821	3.7
291.23251	7.3
293.21365	2.6
302.40201	2.1
319.22754	21.6
337.20105	3.6
337.23849	53.6
338.23950	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	337.2382
Annotation	Sclerophytin A
Peak:m/z	Relative Intensity
59.01376	22.3
61.98823	2.3
69.65927	6.5
69.66352	4.9
71.01355	2.0
89.02448	2.6
93.07092	2.0
96.96010	2.0
109.06594	2.3
111.08158	35.1
111.08898	2.7
120.73669	1.7
134.09747	9.3
135.55548	1.8
179.14467	2.0
190.12326	16.2
197.15492	7.5
207.13898	3.4
221.15434	2.3
225.14954	100.0
226.15308	6.3
227.16521	6.0
227.36302	2.2
236.14436	2.0
239.16547	9.7
254.23882	2.4
255.16049	3.2
291.23233	7.8
293.21268	3.6
294.18414	3.2
295.77850	2.4
301.21671	2.6
319.22833	20.1
320.23087	2.7
337.23846	53.4
338.24088	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	337.114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.9
57.17483	0.7
59.01377	100.0
60.01713	0.9
61.98830	36.0
68.99822	1.2
71.01381	20.1
71.47558	1.0
73.02959	2.5
75.00877	1.0
76.65961	0.6
83.01395	1.8
85.02940	7.9
87.00882	2.4
89.02447	15.5
95.01376	1.0
97.02974	1.1
97.15528	0.9
99.00899	3.3
99.04561	1.3
101.02440	8.6
111.00889	2.0
113.02437	11.5
113.06113	1.1
113.99600	7.3
115.00385	3.3
115.03986	1.1
119.03493	6.2
127.00391	1.2
129.01978	2.0
133.05060	1.8
137.02475	1.8
143.03465	1.3
157.01416	1.5
157.05101	1.8
161.04543	7.6
174.01660	7.6
175.02411	1.0
175.09761	0.7
179.05624	4.4
259.76218	0.7
267.67310	1.0
277.05655	7.3
277.08844	1.4
277.13162	1.0
314.22253	0.8
329.81894	0.8
337.07733	41.2
337.14417	1.6
338.08081	2.2
353.42682	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22420	0.4
59.01380	6.1
59.82537	0.4
67.09506	0.4
69.44562	3.0
71.01376	0.4
71.76827	0.4
73.02927	0.7
87.87424	0.4
99.00902	0.8
106.04280	0.5
119.05022	0.4
123.04502	0.7
131.05029	1.2
132.05795	3.3
133.06593	100.0
134.06912	5.7
207.05385	1.0
212.50957	0.4
278.13968	4.7
337.18616	0.4
338.16068	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	337.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15467	0.7
55.01855	2.0
57.03448	11.2
57.77213	0.7
58.00558	0.7
59.01377	48.5
60.56308	0.8
66.79847	0.9
68.99817	1.3
69.37860	1.7
69.38266	5.5
69.85342	0.9
71.01387	6.5
72.99306	1.3
73.02966	0.8
77.17509	0.7
83.01385	2.9
84.02165	2.6
85.02949	100.0
86.03287	2.2
89.02440	4.2
93.03452	1.2
96.95985	0.8
99.00905	0.8
101.02453	3.7
103.00350	1.5
111.00860	3.5
113.02449	2.7
117.03468	7.5
119.03512	1.8
119.05011	7.9
129.01974	4.6
134.02461	1.2
135.04541	0.9
145.02946	26.2
147.02979	16.2
158.06079	2.3
160.01691	1.2
161.02417	1.2
163.03951	6.2
173.00894	0.9
173.04515	1.6
191.01970	68.2
191.05617	2.6
192.02335	2.3
201.23666	0.8
205.82114	0.9
231.06581	1.2
262.35028	0.8
262.75357	0.8
293.06650	1.0
337.07944	1.5
337.14645	0.8
338.12415	1.6
339.82001	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0774
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
57.03437	1.6
58.02949	0.6
59.01379	10.8
68.99821	1.9
69.03440	0.7
69.84947	2.5
71.01380	6.5
73.02938	2.3
75.00867	2.0
78.95889	0.8
83.01385	1.6
85.02944	8.3
87.00852	2.9
88.55534	0.5
89.02420	2.3
95.01388	1.9
95.02049	0.4
97.02944	0.9
98.19975	0.8
99.00887	5.0
99.04521	0.6
101.02427	4.2
110.37124	0.6
110.98501	0.5
111.00885	2.0
111.01997	1.6
112.98652	1.4
113.02448	7.0
113.99579	17.5
115.00382	9.7
115.04050	0.6
119.03513	0.8
127.00383	2.7
129.01926	3.2
139.00363	0.6
141.01895	0.7
142.99783	0.5
157.01424	4.9
161.04575	1.2
169.01401	1.6
174.01678	19.7
175.02470	6.2
182.37616	0.5
190.95137	0.6
240.71295	0.5
249.97136	0.5
256.97827	0.5
277.05634	18.6
278.05945	1.4
278.12473	1.0
285.45361	0.6
337.07733	100.0
337.13568	2.7
338.07996	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	337.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63205	0.3
50.80109	0.3
50.87911	0.3
55.01868	0.3
57.03448	0.8
59.01376	2.9
67.01904	0.5
69.03448	0.3
69.41219	1.2
69.41625	0.6
71.01373	1.1
72.99307	0.3
73.02962	0.3
74.22839	0.3
75.00869	0.7
81.03447	0.3
83.05004	0.6
84.02152	0.4
85.02943	12.2
87.00867	1.8
89.02367	0.4
89.55865	0.3
93.03452	5.3
96.96007	0.2
98.20633	0.4
99.04507	0.6
101.02453	0.3
109.02953	0.6
111.04512	1.3
117.03471	0.8
119.05012	4.0
120.05326	0.3
127.03989	1.9
129.01920	1.1
137.02477	0.6
145.02959	3.2
147.02931	0.4
155.03525	0.4
163.03995	3.5
164.04333	0.3
171.03040	0.3
173.04559	1.6
191.02042	4.8
191.05597	100.0
192.05946	3.4
209.06721	0.7
231.06540	0.4
261.60580	0.3
276.55423	0.3
337.09308	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	336.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58129	1.0
55.39355	1.0
59.01376	10.6
60.08764	1.3
61.98829	100.0
69.61570	3.0
69.61987	4.4
71.01379	1.3
73.70779	1.0
77.80125	1.1
81.03450	4.2
83.88958	1.1
89.02426	1.6
99.38121	1.6
101.02446	2.2
119.05008	3.6
123.04529	7.8
125.02412	2.5
141.96117	1.1
165.12895	1.2
167.03482	19.9
167.04909	1.4
168.03876	1.5
179.03352	1.4
183.13885	17.0
189.05577	1.3
220.61444	1.2
227.12917	1.5
273.07672	36.5
274.08035	4.6
279.33469	1.2
301.16565	9.1
308.12030	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1299
Annotation	Mimopudine
Peak:m/z	Relative Intensity
54.71175	1.1
57.03443	2.2
58.02972	15.5
59.01379	51.1
71.01378	24.1
71.51215	1.6
72.99287	1.6
73.02933	3.4
75.00865	1.3
78.95902	2.2
80.27844	1.1
83.01375	3.1
85.02940	17.4
87.00890	2.4
89.02427	15.3
95.01347	1.3
97.02924	1.3
99.00880	4.1
101.02440	14.8
110.98512	1.2
111.00859	1.5
111.02007	4.3
112.07669	5.3
112.98755	2.4
113.02448	8.7
113.99581	4.2
114.05601	12.2
115.00370	3.9
115.03983	2.1
119.03477	5.8
125.02365	1.4
127.00332	1.4
128.07159	4.5
129.01894	3.2
130.05064	1.5
130.08730	23.2
156.06648	14.4
157.01399	2.1
161.04544	4.2
173.00830	1.5
174.01694	5.7
174.07716	24.6
175.02452	4.1
179.05598	2.5
276.10834	4.8
277.05658	5.2
277.09085	3.1
310.40762	1.2
319.44751	1.1
336.12979	100.0
337.07727	32.6
337.13284	6.2
340.65988	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.9399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.7
61.98828	0.9
69.31057	0.6
71.28178	1.0
78.98363	0.7
91.63877	0.5
93.43474	0.5
96.96040	0.7
102.29469	0.5
104.56487	0.5
110.11733	0.5
110.48326	0.5
114.79337	0.5
119.93719	0.8
130.53607	0.5
134.96085	35.2
135.96146	2.3
136.94006	62.0
137.94083	5.0
141.08453	0.5
141.30118	0.5
151.92708	4.6
152.91762	32.0
167.90448	3.9
178.95056	100.0
179.17049	0.5
179.95146	7.1
194.92799	55.5
195.93054	0.9
210.90865	1.7
212.93872	1.7
225.90341	0.8
247.87148	6.3
248.37170	3.0
248.87079	3.9
250.93971	2.5
252.91826	2.9
256.87674	4.8
274.88718	12.8
275.88828	2.3
276.86795	1.7
287.84958	9.8
288.35013	7.1
288.84857	5.0
292.94971	11.0
293.95233	1.5
294.85214	0.9
294.92883	15.1
295.93140	1.7
307.67715	0.6
316.84497	1.6
336.83237	2.7
336.93954	85.3
337.83524	0.6
337.94119	8.7
350.88885	0.6
354.84457	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	337.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16907	0.7
55.01862	2.7
57.03450	11.3
59.01376	31.8
62.67465	0.7
71.01382	12.7
71.52711	1.0
72.99314	4.8
80.96139	0.7
83.01395	2.7
84.02164	3.1
84.24763	0.6
85.02947	100.0
86.03288	2.2
89.02436	8.3
96.96003	1.0
101.02446	7.7
111.00889	2.7
113.02435	3.6
117.03455	6.7
119.03560	4.0
119.05019	10.3
129.01939	8.8
133.02933	0.8
138.05589	0.8
145.02948	37.9
147.02992	48.1
148.03320	1.3
157.08711	0.9
159.04565	1.0
161.04614	1.3
163.04008	10.4
173.00908	1.6
175.07622	1.1
183.51025	0.7
187.07770	1.0
191.02003	4.1
191.05638	1.2
231.06683	1.5
293.06586	7.0
310.98364	0.7
337.05896	0.8
337.15005	18.8
337.18494	1.3
338.15475	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60476	0.4
55.01863	0.9
57.03447	2.5
58.00575	0.6
59.01380	18.5
63.28843	0.4
71.01377	11.5
71.53926	0.6
72.99308	1.3
73.02953	3.0
75.00913	0.5
83.01377	2.3
85.02940	4.4
87.00877	1.9
89.02431	2.4
95.01402	0.9
99.00877	1.8
99.04530	0.5
101.02448	7.4
111.00890	0.8
113.02443	2.8
119.03511	0.8
125.02417	0.7
127.11294	1.3
155.10753	1.1
173.11815	31.8
174.12143	1.3
183.02916	0.6
194.08701	0.5
249.06076	0.5
249.13409	1.0
267.07257	0.6
278.79697	0.4
317.16141	1.3
335.17090	100.0
336.17471	7.9
352.67926	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91757	0.6
56.24303	0.6
57.03442	2.3
58.99593	0.7
59.01378	33.2
60.01728	0.8
61.98817	0.7
68.97460	0.5
69.64322	3.5
71.01376	7.8
72.01709	0.7
72.99311	1.6
73.02942	2.0
74.37617	0.6
81.20059	0.6
83.01387	2.4
85.02946	14.2
85.06589	0.7
86.06898	0.6
87.00891	0.7
89.02438	6.9
95.01402	0.7
96.96059	1.0
98.20003	1.4
99.00851	1.0
101.02442	5.4
104.03537	2.2
108.02174	6.3
111.00884	0.9
113.02463	3.2
115.07594	0.8
119.03491	3.3
119.05011	1.4
119.69939	0.7
124.04028	0.8
127.05161	0.8
128.03557	0.9
129.01930	2.1
131.07143	3.5
132.07463	1.7
138.01967	100.0
139.02316	3.4
145.02939	1.6
156.06686	0.8
161.04549	1.2
163.04010	1.5
164.18449	0.6
173.05711	1.8
184.31096	0.8
188.07198	1.1
191.01968	3.7
191.05652	1.0
277.12915	0.7
302.09940	0.9
313.16699	0.7
321.81906	0.7
335.20709	3.4
336.05209	1.5
336.08801	1.9
336.13806	5.5
336.21017	3.3
337.08334	0.9
337.15002	12.5
337.18533	0.8
354.01282	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30131	1.6
58.02970	1.6
59.01377	24.0
61.98814	4.2
63.70336	1.2
63.71400	1.3
66.51026	1.3
69.23609	1.2
71.01385	10.6
71.51513	2.3
73.02913	1.7
76.68560	1.4
78.95862	1.4
83.01396	1.6
85.02943	4.3
88.04016	3.2
89.02438	8.3
93.03453	49.1
101.02439	6.9
111.04462	2.3
113.02422	8.4
119.03473	4.0
123.47907	1.8
125.02402	1.9
137.02438	100.0
138.02797	2.9
155.03514	1.8
156.06630	1.8
161.04533	2.4
173.04475	2.3
173.08122	2.2
177.01909	2.4
218.10362	1.7
275.11133	1.9
299.07700	5.8
335.06143	1.9
335.13403	12.3
336.13013	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	335.077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57365	0.5
53.91919	0.4
56.59807	0.5
57.03445	13.8
59.01385	3.3
59.04755	0.4
61.98836	0.5
71.01392	1.4
71.52757	0.5
73.02924	0.6
81.03467	1.3
83.01389	1.8
85.02948	0.7
89.02473	0.7
93.03459	3.0
95.01403	0.6
97.02923	1.5
101.02488	1.1
105.03458	0.7
109.02276	0.8
109.02915	4.0
113.02440	0.9
119.36923	0.5
120.02229	1.0
121.02948	6.6
121.05321	0.6
123.00889	0.6
125.02441	100.0
126.02789	2.7
126.59374	0.7
133.02916	0.9
134.03561	0.6
137.02437	13.9
149.02440	6.0
155.03484	1.5
161.04532	0.7
163.00414	0.8
164.01135	7.0
165.01926	24.5
166.02376	0.8
167.03563	0.6
174.05571	0.8
177.01923	69.8
178.02283	4.0
189.05670	0.6
195.33786	0.5
197.04546	11.1
231.02963	0.6
231.76349	0.5
268.77194	0.6
303.05060	2.7
335.07947	0.7
335.13196	1.7
335.20700	0.9
351.14603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47744	3.4
60.08231	4.2
61.98823	100.0
69.29908	9.8
69.30315	28.0
70.99918	4.6
84.32841	3.8
92.43575	3.6
120.62357	4.0
123.08183	6.4
126.56831	3.6
134.41046	3.9
135.97433	3.8
142.84952	4.5
181.47324	3.7
209.63000	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	333.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02868	25.2
58.57840	18.9
59.01380	60.2
61.98818	30.1
71.53737	19.2
79.95717	31.6
81.94579	21.2
86.30714	20.9
87.79110	18.9
93.03504	35.1
187.07565	37.4
208.02119	23.5
233.52277	22.2
238.06367	64.3
253.08702	64.0
257.08173	100.0
259.05972	36.5
276.38345	22.6
333.04413	42.4
333.20493	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	29.1
59.38678	9.7
61.98827	19.0
79.95732	22.4
90.80978	10.9
120.28139	10.6
124.01637	13.6
125.02417	28.5
126.02883	10.2
126.90492	55.5
138.32562	10.3
161.70059	10.6
187.07608	22.1
195.04503	35.1
229.08592	23.6
237.05576	14.0
238.06290	100.0
253.08710	93.1
254.08925	18.5
257.08148	50.4
259.06110	14.0
288.97223	18.4
333.04370	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.4
61.02845	1.0
61.98830	100.0
69.47387	1.1
70.13736	4.5
78.89748	1.1
86.14333	1.1
98.85804	1.0
113.02493	1.1
125.02467	2.1
138.34293	1.2
148.73149	1.1
183.13814	2.7
184.14241	4.8
195.13954	1.6
196.14256	4.6
213.14948	19.8
214.15297	32.0
269.04434	5.9
276.77777	1.1
322.82578	1.2
332.18204	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	333.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68942	0.4
51.71001	0.4
58.32582	0.4
59.01361	0.4
61.70084	0.4
66.86225	0.5
71.01383	0.5
71.09908	0.7
77.41638	0.4
78.03493	0.6
80.05049	0.7
80.59485	0.4
83.74541	0.4
87.93153	0.4
92.05048	1.9
94.02959	0.5
94.06604	4.1
101.02428	0.6
104.05101	2.7
105.03467	2.4
106.02930	0.5
106.06627	13.8
107.03739	0.5
107.06909	0.5
108.04557	2.2
120.04554	6.2
121.05315	1.7
122.02427	0.5
122.06121	14.3
123.03263	1.9
124.07719	1.0
131.03802	0.7
132.04559	8.2
136.04031	0.8
138.05606	21.6
139.05919	1.0
140.07291	0.5
148.03972	0.9
150.05609	2.4
159.06915	0.7
164.03442	0.4
166.05081	0.8
173.08420	0.8
174.12912	0.8
189.07877	1.3
197.07172	0.6
202.51669	0.5
203.69691	0.4
209.11815	1.7
213.06691	0.5
215.11884	1.6
217.07388	1.7
227.08133	0.6
227.11684	0.4
228.08879	0.5
229.09666	1.1
231.11377	1.1
241.06157	0.6
241.09883	3.3
243.11360	2.5
259.10818	0.5
271.10834	1.2
289.11923	100.0
290.12238	8.0
333.06961	0.8
333.10886	10.7
334.11310	0.8
334.54358	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53097	1.2
50.91780	1.1
58.85952	1.2
59.01378	100.0
71.01379	6.9
71.53850	2.0
73.02976	2.2
81.91544	1.4
83.01363	1.7
85.02962	3.1
89.58674	1.2
101.02433	5.6
108.02132	2.5
113.02461	2.0
125.02456	1.2
137.02388	1.9
145.12843	1.3
161.04567	3.2
178.14929	1.3
184.02296	1.3
213.14909	2.2
235.40625	1.3
243.43196	1.3
289.16519	3.1
301.07532	1.3
331.08072	1.9
331.24783	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	331.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.7
58.92263	0.4
59.01378	100.0
60.01709	0.9
70.81908	1.0
71.01381	7.8
71.01737	0.8
73.02959	2.1
83.01393	1.1
85.02948	4.7
89.02459	0.9
99.00885	1.3
101.02454	4.6
106.32197	0.4
108.02180	1.1
113.02458	2.7
123.04565	0.9
125.02473	1.8
127.11369	0.5
145.97632	0.5
153.01927	1.7
161.04532	3.1
164.64560	0.5
231.03073	0.7
246.05338	0.5
289.16486	2.1
306.58875	0.5
331.08231	1.1
331.21573	0.6
331.24963	0.5
343.06851	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02352	0.5
54.00512	0.5
54.41248	0.5
59.01378	21.0
60.51567	0.5
61.98829	18.8
63.29024	0.4
64.29773	0.4
71.01379	2.5
73.02943	0.8
73.48846	0.5
82.22626	0.5
85.02992	0.6
86.71326	0.5
89.02448	0.7
99.76920	0.4
101.02431	0.9
105.56893	0.5
108.02145	0.5
112.70553	0.4
125.02428	1.1
135.03011	0.5
140.01799	0.4
153.01888	0.6
183.13882	15.3
184.14198	0.9
192.10829	0.5
195.13889	12.5
196.14243	1.1
211.13412	0.6
213.14943	100.0
214.15294	5.4
227.03484	0.7
229.18320	0.6
259.06180	0.9
269.04523	1.0
272.15094	0.5
287.05664	1.1
303.04980	0.9
331.04504	1.9
331.08145	0.6
331.17679	5.6
331.24911	0.6
332.17975	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1033
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
66.33005	0.4
69.47332	2.9
69.47725	0.8
71.01376	2.1
78.55898	0.4
82.00607	0.6
85.02949	3.0
85.74576	0.4
101.02434	0.7
101.03031	0.4
110.00100	6.0
113.02448	3.1
118.22053	0.4
124.01675	1.0
125.02454	6.3
131.03537	0.5
137.99590	9.3
139.00380	2.0
140.01183	0.9
151.00380	0.7
152.01175	3.0
153.01930	100.0
154.02536	4.8
155.03464	2.7
161.04559	1.4
166.02750	0.5
167.02390	0.3
167.03487	12.8
168.04266	55.0
169.01421	1.8
169.05026	10.3
179.03473	0.8
190.54425	0.4
191.03488	1.2
196.03749	0.8
209.04588	1.2
211.06073	0.6
260.82172	0.5
279.52936	0.4
299.07675	0.8
331.10361	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	331.067
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03447	6.6
57.72187	0.9
59.01376	11.2
65.00319	4.9
66.03435	0.8
69.91068	3.8
71.01378	4.9
73.02914	1.2
73.41052	0.8
77.80828	0.8
78.91888	1.7
81.03423	3.1
83.01379	16.5
84.01716	0.9
85.02937	2.9
87.00847	1.7
89.02415	1.2
89.33215	0.8
89.59274	1.1
97.02927	1.8
101.02428	3.9
107.01392	9.4
108.02170	28.9
108.98009	0.8
109.02986	5.7
110.00105	3.0
113.02428	4.4
121.02948	2.0
122.06099	1.7
124.01634	1.6
125.02438	60.7
126.02786	1.7
128.29541	0.9
131.01414	1.1
133.04993	1.0
137.99545	3.9
139.00299	1.0
139.03990	1.1
149.02432	1.2
150.05591	2.9
151.00360	57.2
151.03958	2.5
151.05873	2.1
152.00746	1.0
153.01930	43.8
154.02489	2.0
155.03525	0.9
161.04555	9.8
167.03491	6.3
168.00639	3.6
168.04254	24.9
169.01414	33.8
169.05052	4.9
170.01666	1.6
175.00351	8.7
193.01413	5.8
196.14027	0.8
198.99117	0.9
209.04625	1.3
211.02519	2.2
258.87537	0.9
264.56927	0.9
268.49579	0.9
271.01324	0.8
271.08179	3.5
313.11237	3.0
331.06680	100.0
332.07062	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	330.1193
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
56.83552	0.8
59.01376	16.9
61.98594	0.7
61.98833	9.0
68.99827	1.2
71.01379	10.6
71.52220	1.2
72.99298	1.3
73.02933	2.6
73.77441	0.9
80.05026	0.9
81.03446	1.0
83.01380	3.2
83.01838	0.8
85.02953	4.5
86.00099	5.4
87.00872	19.3
88.49307	0.9
89.02444	4.2
95.01374	1.6
99.00863	1.5
101.02451	6.1
107.01397	1.4
108.02171	17.8
108.04533	1.7
109.02951	2.8
110.00098	1.9
113.02449	5.5
120.04564	1.3
121.05312	2.1
122.03740	2.4
122.06117	38.9
123.04091	3.7
124.04035	1.9
124.04875	1.8
125.02431	10.8
129.01945	1.4
131.03673	0.8
133.05083	6.0
133.44165	0.8
134.06128	5.2
135.03265	1.8
136.04024	1.9
136.07666	18.6
137.07980	0.9
137.99571	1.6
138.03180	1.0
138.05617	2.0
139.00336	1.1
146.06065	1.4
148.04059	1.1
148.07668	1.6
149.04759	1.8
150.05595	100.0
151.00331	7.6
151.04024	1.5
151.05917	4.5
152.01086	1.1
152.07167	8.8
153.01927	30.6
154.02753	1.5
158.06110	0.9
159.03108	1.0
161.04553	6.3
162.05658	2.3
164.07169	3.7
167.03455	5.8
168.00644	1.1
168.04266	17.8
168.06596	2.0
169.01407	10.3
169.05064	2.3
174.05591	1.9
175.06381	5.1
176.07158	9.0
177.07590	1.1
189.04460	0.8
192.06645	1.5
194.08209	3.7
204.06642	2.1
222.07654	3.4
242.82059	0.8
252.08705	2.2
261.05331	0.9
271.08234	3.2
300.10837	1.0
312.10858	58.2
313.11240	4.0
330.11972	38.5
331.06693	17.1
331.10342	1.6
331.12616	1.6
335.76590	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.233
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
52.24509	0.9
59.01385	10.1
61.98799	1.3
71.53623	1.0
99.08178	5.6
105.91622	0.9
129.09218	5.8
165.12810	1.2
169.12321	5.1
171.10257	2.2
181.12344	3.7
183.13870	1.9
193.12219	1.5
197.11824	2.1
199.11708	1.7
199.13402	17.7
211.13354	9.2
228.95081	1.1
229.14543	1.6
293.21140	2.5
299.01892	1.7
300.20111	1.0
311.22171	2.0
314.04324	2.8
329.06650	3.0
329.23297	100.0
330.23795	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	330.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.5
59.01379	4.7
61.98827	100.0
69.62062	10.6
88.38529	2.2
108.02197	2.0
108.70342	1.8
125.02436	26.2
137.01155	3.6
153.01891	2.1
154.01419	7.6
192.00641	4.4
193.01410	2.7
193.11909	1.9
233.23253	1.9
329.23080	2.9
330.06467	2.5
330.23615	3.9
331.08051	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	329.1393
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
51.85741	0.3
58.65572	0.4
59.01389	1.2
65.82876	0.3
82.56989	0.4
91.05529	0.5
93.03448	0.9
96.95998	0.4
98.20695	0.8
99.74162	0.4
108.02186	0.6
109.02975	0.6
113.02505	0.5
115.05546	0.7
119.05025	0.9
121.02952	12.6
122.03757	3.4
123.00861	2.0
123.04543	0.7
124.01688	1.6
130.04280	0.8
131.03531	1.0
131.05037	1.3
134.03755	0.7
135.04500	0.7
135.81204	0.4
136.01680	0.6
136.05281	2.5
137.02428	2.0
137.06096	1.2
138.03325	0.6
139.03999	0.5
143.05019	2.2
145.02979	1.4
145.06635	0.5
146.03734	1.2
147.04527	8.6
148.05066	0.4
149.02437	3.6
149.06094	0.7
150.03224	15.2
151.03967	1.2
153.05544	0.9
157.22394	0.4
158.02756	0.2
158.03726	12.6
159.04512	34.8
160.05295	82.1
161.06076	32.4
162.03209	0.8
162.06491	1.8
163.04005	12.2
164.04799	10.5
167.73323	0.5
168.04265	0.9
173.06071	10.6
173.07574	0.7
174.06715	1.2
175.07635	58.6
176.04794	2.1
176.07962	3.1
177.05560	16.3
178.06332	14.6
179.06746	0.6
191.07104	0.7
192.07893	1.0
193.08682	7.7
199.03975	0.7
210.73625	0.4
227.03600	0.7
243.02930	0.7
271.02493	2.1
299.01968	4.6
299.12994	0.7
300.02328	0.6
314.04315	4.8
314.11462	1.9
315.04886	0.4
329.06699	4.6
329.13907	100.0
330.14246	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	329.2331
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03435	1.1
59.01372	0.9
70.01080	1.3
70.01485	1.9
70.30019	0.6
73.85004	0.6
76.23109	0.7
83.05031	0.7
87.36929	0.6
98.20543	1.1
99.08148	5.2
125.09756	0.9
127.11302	3.3
129.09195	0.9
136.39119	0.6
137.09692	0.8
139.11313	5.7
155.14493	0.8
157.12300	0.7
167.14398	0.8
171.10254	12.5
177.15491	0.6
183.13867	4.5
193.12286	1.6
201.11272	0.7
209.11765	1.4
211.13380	27.6
212.13705	2.1
229.14438	14.4
230.14764	1.2
243.03015	2.4
261.07666	1.5
285.03864	1.3
293.21204	1.4
299.01904	3.7
311.22394	1.7
313.03452	2.4
314.04358	2.3
329.06680	14.5
329.23303	100.0
330.06836	0.7
330.23630	8.6
341.90308	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0875
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.49637	0.4
59.01370	1.7
65.62041	0.5
69.92718	0.5
69.98009	0.9
69.98405	0.8
71.01378	0.9
80.23979	0.5
85.02946	0.9
87.47240	0.5
108.02170	53.9
109.02502	1.6
123.04521	24.1
124.04833	0.7
125.02448	1.3
125.82774	0.5
138.46407	0.4
146.99065	0.5
149.06079	0.4
152.01147	37.5
153.01494	1.8
153.56436	0.4
167.03485	100.0
168.03822	3.9
329.08829	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	329.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01710	1.4
61.18355	0.6
62.04815	0.6
69.95354	1.9
71.01383	3.6
73.02951	0.9
77.84194	0.6
81.03464	1.1
83.01415	1.1
85.02959	2.1
101.02454	2.4
113.02469	1.6
123.04530	4.4
125.02431	1.4
159.02913	0.9
161.04520	3.7
164.17711	0.6
167.03482	13.3
191.03494	3.7
209.04581	1.6
209.11844	1.3
227.13022	0.8
269.10312	4.3
273.08887	1.2
273.15875	0.6
329.11600	3.0
343.41843	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0875
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03444	0.6
59.01372	0.9
65.00322	0.5
69.60831	1.3
72.51733	0.2
81.03452	4.5
83.01379	2.8
95.05018	0.8
97.02943	0.4
107.00726	0.2
107.01399	1.0
123.04515	31.4
124.04839	1.1
125.02435	7.2
139.04051	0.3
149.02423	0.7
151.00360	1.4
163.04005	0.4
167.03476	100.0
168.03819	4.3
168.31052	0.3
191.03481	0.6
209.04510	1.5
210.44661	0.2
329.08685	0.9
342.74438	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0877
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.62945	0.5
56.05306	0.4
57.03430	0.8
59.01384	2.3
61.98835	2.5
68.99815	0.6
69.27471	4.3
71.01380	7.5
73.02945	2.1
74.86253	0.4
76.30891	0.4
81.03440	0.6
83.01382	1.3
85.02953	2.9
87.00880	1.0
89.02425	0.9
93.03420	0.6
97.32233	0.5
98.19897	0.7
99.00886	1.6
99.04514	0.7
101.02435	5.3
101.66611	0.5
107.05029	0.5
108.02174	7.4
109.02940	1.5
113.02446	4.5
121.02959	2.6
122.03737	100.0
123.04562	17.9
124.04832	0.6
125.02443	4.3
135.04541	1.9
136.05296	0.7
136.07634	0.6
137.02457	1.1
137.06076	1.2
143.03569	0.5
147.04520	1.6
147.06670	0.6
148.05255	0.7
149.02444	1.1
149.06085	1.1
150.05612	4.1
152.01143	5.2
159.03006	1.6
161.04549	10.7
165.05528	5.0
167.03485	14.1
168.03798	0.7
177.05551	1.9
285.09747	2.5
312.10815	1.4
314.04184	0.7
329.08835	8.1
330.12161	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0663
Annotation	Malvidin
Peak:m/z	Relative Intensity
54.01309	0.4
55.69907	0.4
59.01374	0.7
60.07910	0.4
64.65454	0.4
69.51576	1.4
69.51989	1.2
93.10926	0.4
107.01385	0.6
108.37613	0.4
144.04613	0.4
151.00343	1.4
161.02429	4.4
170.36618	0.4
172.76404	0.4
185.02481	0.9
199.03951	1.3
203.03482	2.1
215.03384	0.5
227.03461	4.7
243.02969	2.2
252.15939	0.7
268.03659	1.1
271.02448	62.6
272.02747	4.4
284.03323	0.8
285.03998	2.7
297.03903	1.5
299.01935	71.1
300.02246	5.5
313.03442	5.4
314.04282	44.8
315.04626	3.4
329.06625	100.0
330.06961	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	329.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
59.01377	1.8
65.00294	0.3
66.51839	0.2
69.03436	0.2
69.45699	0.4
69.46107	1.2
71.01377	0.8
81.03443	4.2
83.01378	2.6
89.02440	0.4
93.03439	0.2
95.05032	0.7
97.02948	0.4
99.04510	0.3
107.01372	0.6
108.02173	0.4
108.21066	0.2
108.26734	0.2
123.04515	30.5
124.04849	0.9
125.02436	7.8
126.02774	0.4
127.05107	0.3
149.02425	0.7
151.00363	1.7
156.01155	0.3
163.04007	0.5
163.50957	0.2
166.02750	0.2
167.03479	100.0
168.03816	4.3
176.35913	0.2
179.07191	0.3
191.03432	0.8
209.04517	1.1
329.08701	0.9
330.10809	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03440	1.5
59.01370	2.7
61.13125	0.8
61.86699	0.8
62.63778	0.9
69.03456	1.5
71.01391	1.1
73.02935	3.7
78.42865	0.9
83.05019	1.4
85.02953	2.7
88.00894	1.0
91.33994	0.8
97.06578	3.0
99.08144	1.8
105.79088	1.0
112.05355	1.2
115.07634	2.0
125.09750	1.1
127.07655	4.4
127.11246	1.2
129.09216	21.7
130.09528	1.6
133.05376	1.0
141.09235	8.9
141.12779	1.6
155.10776	16.4
171.10252	18.5
172.10460	1.0
173.08084	1.0
183.01170	1.3
185.11824	38.0
185.13483	1.9
186.12206	2.0
197.11819	29.8
198.12253	1.6
201.11108	1.1
209.11794	6.8
211.13281	4.5
229.14478	1.2
247.20732	1.4
267.10831	1.3
291.19678	11.4
309.20700	24.6
310.21097	2.8
327.21753	100.0
328.22028	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	329.0212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59548	0.5
59.01376	44.6
61.98821	2.1
67.30373	0.6
71.01378	0.9
71.50588	0.7
81.37462	0.6
84.89896	0.6
87.00880	1.5
115.02508	2.4
117.00426	7.1
119.22523	0.6
125.00887	1.3
126.98867	1.4
143.02011	3.3
144.99994	0.7
157.03517	1.0
159.01486	61.3
160.01617	4.2
168.99902	5.0
170.97853	13.8
171.01538	0.7
187.00969	100.0
188.00473	12.8
201.02550	14.1
202.02771	1.0
208.50876	0.6
232.98322	1.7
241.00511	0.7
256.98083	0.8
274.99350	6.7
287.01144	1.2
311.00998	1.5
314.04330	1.2
324.85367	0.6
328.96967	3.6
329.02188	4.1
329.06265	1.0
330.02090	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29779	14.2
51.34876	16.9
57.03442	23.2
59.01370	59.6
61.98810	39.6
69.03456	13.7
71.00710	32.1
72.22826	14.7
83.01370	23.5
83.05013	47.6
95.05003	15.0
97.06596	24.3
101.72063	12.3
105.94507	14.6
108.05037	15.0
116.47285	16.7
125.09702	76.2
139.11240	45.7
163.11314	20.2
165.12794	55.0
167.10779	73.1
181.12315	30.2
209.11813	100.0
247.20628	33.4
291.19571	82.5
322.31372	14.3
327.21625	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	327.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	71.9
59.01382	72.6
61.98813	33.8
68.62493	13.0
69.03447	20.6
71.01377	50.2
71.52466	17.9
72.49371	14.8
72.88378	14.5
75.37114	13.4
82.46995	15.0
82.88073	14.1
83.05020	41.7
91.46239	15.2
91.75032	15.3
95.05045	23.0
99.08131	14.7
101.02479	14.0
107.83897	13.8
111.04521	20.4
111.08138	17.1
113.09751	25.1
116.50362	13.5
127.11249	25.8
129.05547	37.2
151.11264	61.3
153.12859	26.8
163.11256	16.8
165.12805	58.0
167.10765	31.9
171.10291	33.3
179.10793	31.3
181.12384	100.0
191.10747	40.4
197.11841	46.4
202.43140	15.1
209.11836	87.5
211.13446	19.1
215.16644	23.1
223.60097	15.2
247.20694	21.1
263.19931	22.6
291.19733	26.4
327.21646	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2173
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
53.34041	0.4
57.03439	1.4
59.01355	0.7
66.59393	0.5
68.56132	0.5
69.03426	0.8
70.67068	1.4
71.01377	0.6
83.05029	1.0
85.02947	5.0
88.02163	0.5
95.04974	1.0
97.02930	0.7
97.06595	4.8
103.75983	0.5
105.04832	0.4
109.06659	0.4
125.09693	0.9
127.11260	1.5
137.09703	0.9
147.39932	0.5
155.10812	1.0
155.14432	0.7
165.12866	0.9
171.10240	11.0
177.12810	1.0
181.12248	0.6
183.13893	4.9
185.11836	1.7
193.12292	1.2
197.11754	0.9
199.13307	0.5
209.11787	1.9
211.13376	23.4
212.13730	1.4
214.71797	0.5
221.11842	3.6
229.14412	13.5
230.14758	1.1
239.12869	2.1
285.58557	0.5
291.19611	3.2
309.20554	1.0
327.21729	100.0
328.22098	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	327.2174
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
59.01348	2.2
61.98813	1.3
63.02108	0.7
69.19577	7.4
71.01366	0.8
73.02921	0.8
75.10699	0.7
85.02958	1.8
91.14168	0.7
97.06567	3.1
101.02464	0.7
115.07606	2.2
125.09720	0.7
127.50497	0.8
137.09637	0.8
153.12794	1.9
155.14392	3.8
171.10274	6.3
176.02383	0.8
183.13902	5.0
185.11815	0.7
193.12247	1.0
197.11806	3.0
199.13390	6.8
211.13397	9.4
215.12881	0.8
227.12897	5.7
229.14427	100.0
230.14731	4.9
239.16376	0.9
241.33186	0.7
247.26318	0.9
267.10931	0.8
269.17596	2.2
291.19632	4.7
309.20615	10.2
310.21228	1.3
327.05048	1.0
327.16168	1.4
327.17319	1.2
327.21771	25.8
328.21960	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94176	0.4
57.03428	0.6
57.44042	0.4
58.00583	1.6
59.01377	4.2
61.98817	0.9
64.27572	0.4
69.03441	0.6
69.25038	3.6
71.01391	0.8
83.04997	0.7
85.02947	0.7
94.64198	0.4
96.38227	0.4
97.06594	1.6
111.08155	7.6
119.43008	0.4
127.07604	0.9
153.12840	1.0
155.10768	0.6
169.12349	5.0
171.10278	2.5
179.10849	0.8
181.12329	1.5
185.11807	1.5
193.12292	0.8
197.11819	39.4
198.12183	2.4
199.13417	6.5
202.10204	0.4
209.11887	0.6
211.13370	6.4
221.11812	1.4
227.12831	0.8
229.14478	1.5
239.12851	0.8
239.16551	0.7
263.20178	0.7
268.03763	6.1
269.04083	0.6
283.06137	4.8
291.19577	3.0
309.20526	2.8
327.05106	1.7
327.21744	100.0
328.22064	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	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03429	0.8
58.00594	1.3
59.01374	3.7
59.01619	0.6
61.98840	0.7
62.64966	0.6
67.02877	0.6
69.03459	1.1
70.35393	1.3
70.35783	1.4
71.01370	1.4
71.09714	0.7
85.02949	1.0
97.06571	2.4
103.08661	0.7
110.03657	0.7
111.08152	5.6
115.88219	0.6
127.07624	1.5
153.12869	1.0
154.15668	0.6
169.12352	4.2
171.10291	3.1
181.12366	1.9
183.13872	0.8
184.99176	0.7
185.11809	3.0
193.12202	0.7
197.11821	34.8
198.12132	2.6
199.13362	5.9
209.11838	1.6
211.13396	6.2
215.16922	0.7
221.11861	1.5
227.12837	0.9
229.14391	1.7
239.12820	1.5
239.16550	2.6
257.87643	0.7
268.03769	5.5
273.18674	0.9
283.06046	3.6
291.19611	3.1
309.20691	2.2
327.04974	1.3
327.21741	100.0
328.22031	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	327.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.7
57.03428	3.4
58.00571	2.8
59.01377	100.0
60.01708	2.4
61.98820	9.2
69.63917	9.6
71.01376	58.4
72.99303	5.0
73.02942	16.1
75.00867	13.4
80.91673	7.1
83.01395	5.4
85.02943	21.1
87.00877	18.5
89.02431	43.4
95.01350	3.6
96.96050	4.3
98.20826	2.4
99.00872	5.5
101.02438	48.4
102.20148	2.3
105.05542	6.3
109.02933	10.1
111.00886	3.4
111.53230	2.4
113.02451	18.8
117.01941	4.6
119.03473	13.7
129.01894	2.3
133.05035	14.0
133.63072	2.4
134.05443	3.4
135.03001	35.4
135.05510	8.7
143.03461	3.1
147.06619	20.7
149.02379	3.3
149.04643	4.0
152.91750	19.0
153.01906	5.6
161.04530	29.5
165.05573	6.5
165.07687	7.1
179.05576	10.3
191.05562	3.0
192.27811	2.3
222.92365	7.0
267.10828	81.4
268.11179	5.1
327.09131	15.9
327.12912	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	327.1448
Annotation	Thymoquinol 5-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01880	3.7
57.03445	2.6
58.00592	0.7
59.01378	23.2
63.43137	0.5
69.03445	0.7
70.83349	1.1
71.01381	27.7
72.99315	1.4
73.02946	12.5
78.47392	0.6
82.18829	0.6
83.01389	7.2
85.02950	15.7
86.00092	2.3
87.00858	0.9
89.02435	4.7
93.03461	3.5
95.01399	3.0
95.05055	0.7
96.99310	0.9
97.02959	0.6
99.00882	4.4
101.02441	21.1
101.03106	1.1
103.03184	0.5
106.04232	3.6
111.00863	1.0
113.02441	9.5
113.03166	0.8
119.03510	1.8
119.05037	4.1
121.06596	1.6
123.04543	0.8
125.02434	0.8
127.53963	0.6
131.03526	0.6
131.05023	1.1
143.03439	1.0
143.05031	3.0
159.02956	1.3
161.04572	5.5
163.03989	1.6
165.09206	79.4
166.09547	3.6
201.45209	0.6
209.65820	0.6
211.07726	0.9
237.09160	1.0
265.08728	2.3
298.89212	0.6
299.16174	0.6
309.07587	0.9
327.08890	12.8
327.14468	100.0
328.09149	0.8
328.14813	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	327.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26193	1.5
55.01871	2.7
57.03441	4.6
59.01378	100.0
61.98820	10.2
69.62186	3.2
69.62583	6.9
71.01382	52.0
72.99316	3.2
73.02934	13.4
77.02431	1.3
83.01385	4.3
85.02944	20.1
87.00887	4.1
87.04510	2.3
89.01929	2.9
89.02438	31.5
95.01392	4.0
98.35458	1.5
99.00874	4.6
101.02438	41.1
105.05575	6.8
111.25916	1.4
113.02432	20.8
119.03488	11.3
125.02445	2.3
131.03482	2.2
133.05045	2.5
143.03488	3.5
159.02977	6.0
161.04538	39.1
165.07651	7.3
179.05582	8.3
183.07614	2.5
267.10815	98.5
268.11090	8.2
273.37674	1.5
327.12936	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	327.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67125	0.6
59.01415	0.8
65.04055	0.6
66.41244	0.6
69.16963	6.3
69.31435	0.6
76.03694	0.6
77.64148	0.6
77.81755	0.6
78.94324	0.6
93.03539	1.7
109.03022	1.4
119.05085	1.1
121.02954	20.5
123.04595	2.3
133.03027	0.9
135.04590	2.3
145.02986	1.0
147.04532	7.0
158.03764	1.5
159.04503	1.2
163.03992	2.9
171.04544	1.1
173.02501	0.7
175.03998	21.7
176.04662	1.0
179.08778	0.7
185.06192	0.8
187.04048	0.7
188.04836	0.7
189.05666	0.8
189.39755	0.6
190.06389	6.4
193.06532	0.9
195.08238	1.2
196.05341	1.1
197.06039	1.4
203.07211	1.2
205.06601	1.0
207.08084	1.2
209.06187	2.6
211.04068	0.9
211.07697	2.8
212.04958	0.8
213.05528	0.9
220.05377	0.8
221.06174	1.4
222.05193	6.0
222.07236	0.7
223.05681	1.0
223.07622	5.7
224.08200	0.9
225.05635	2.4
225.09125	0.7
227.07094	0.9
233.06039	3.4
234.06696	0.9
235.07692	1.9
237.05586	2.0
238.06392	0.9
238.81924	0.6
239.07127	5.8
240.04309	0.7
240.07892	1.9
241.05106	2.6
241.08765	2.4
249.05487	4.3
250.06322	3.7
251.07120	11.4
251.09550	1.1
252.07735	1.7
253.08737	1.7
254.05858	2.9
256.07471	0.7
257.52182	0.6
261.05493	7.4
261.07642	0.7
262.06400	2.2
263.07190	2.7
264.04355	1.0
265.05157	0.9
265.08588	0.8
266.05762	0.9
267.06598	8.9
268.07275	3.3
269.08145	19.3
270.08572	2.2
277.05093	1.2
278.05823	1.7
278.09457	2.4
279.06601	20.2
280.07211	4.2
281.08035	1.5
282.08990	2.2
283.09763	4.9
293.08148	1.4
294.08966	10.4
295.06299	0.6
295.09424	1.4
296.06876	1.3
297.07681	92.1
298.08044	6.7
309.11304	29.1
310.11694	3.1
311.09183	3.8
312.10019	53.8
313.10403	5.5
327.12341	100.0
328.12653	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	325.217
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
59.01361	0.9
61.98821	0.7
65.36174	0.5
79.95763	1.4
82.89616	0.5
119.05048	0.7
149.09711	71.0
150.10043	3.9
163.11279	76.5
164.11635	4.1
170.00465	0.7
183.01198	44.6
184.01956	9.7
185.02370	0.5
197.02808	1.8
216.00946	3.6
230.81200	0.6
239.07460	0.6
284.49228	0.6
307.52832	0.6
325.18399	100.0
325.21814	76.0
326.18719	10.3
326.22186	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	327.1235
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
55.67125	0.6
59.01415	0.8
65.04055	0.6
66.41244	0.6
69.16963	6.3
69.31435	0.6
76.03694	0.6
77.64148	0.6
77.81755	0.6
78.94324	0.6
93.03539	1.7
109.03022	1.4
119.05085	1.1
121.02954	20.5
123.04595	2.3
133.03027	0.9
135.04590	2.3
145.02986	1.0
147.04532	7.0
158.03764	1.5
159.04503	1.2
163.03992	2.9
171.04544	1.1
173.02501	0.7
175.03998	21.7
176.04662	1.0
179.08778	0.7
185.06192	0.8
187.04048	0.7
188.04836	0.7
189.05666	0.8
189.39755	0.6
190.06389	6.4
193.06532	0.9
195.08238	1.2
196.05341	1.1
197.06039	1.4
203.07211	1.2
205.06601	1.0
207.08084	1.2
209.06187	2.6
211.04068	0.9
211.07697	2.8
212.04958	0.8
213.05528	0.9
220.05377	0.8
221.06174	1.4
222.05193	6.0
222.07236	0.7
223.05681	1.0
223.07622	5.7
224.08200	0.9
225.05635	2.4
225.09125	0.7
227.07094	0.9
233.06039	3.4
234.06696	0.9
235.07692	1.9
237.05586	2.0
238.06392	0.9
238.81924	0.6
239.07127	5.8
240.04309	0.7
240.07892	1.9
241.05106	2.6
241.08765	2.4
249.05487	4.3
250.06322	3.7
251.07120	11.4
251.09550	1.1
252.07735	1.7
253.08737	1.7
254.05858	2.9
256.07471	0.7
257.52182	0.6
261.05493	7.4
261.07642	0.7
262.06400	2.2
263.07190	2.7
264.04355	1.0
265.05157	0.9
265.08588	0.8
266.05762	0.9
267.06598	8.9
268.07275	3.3
269.08145	19.3
270.08572	2.2
277.05093	1.2
278.05823	1.7
278.09457	2.4
279.06601	20.2
280.07211	4.2
281.08035	1.5
282.08990	2.2
283.09763	4.9
293.08148	1.4
294.08966	10.4
295.06299	0.6
295.09424	1.4
296.06876	1.3
297.07681	92.1
298.08044	6.7
309.11304	29.1
310.11694	3.1
311.09183	3.8
312.10019	53.8
313.10403	5.5
327.12341	100.0
328.12653	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	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62524	8.1
57.03452	11.5
59.01375	100.0
61.98824	13.7
67.08530	10.5
69.03445	18.7
70.75502	16.2
70.75844	22.5
71.01373	18.0
71.05009	19.7
80.02677	9.8
81.03442	22.5
83.01382	28.8
83.05032	23.7
95.05029	17.0
97.02935	20.6
97.06572	40.2
101.02408	19.6
106.04223	10.8
107.05000	11.2
109.06561	18.0
110.48077	9.4
121.06548	12.0
123.04495	32.7
123.08112	25.4
125.09716	65.1
135.08160	12.0
137.09700	23.2
152.94632	9.4
163.02422	12.0
163.03937	8.5
163.11263	38.2
165.12723	14.6
167.10728	45.4
171.10295	21.2
171.28644	9.6
179.10730	11.0
181.12299	19.8
181.88953	9.9
183.01149	25.8
185.11795	40.7
191.14301	11.4
197.11758	44.0
207.10240	34.0
209.11821	83.4
211.13319	28.0
225.11320	21.0
237.14923	29.6
245.19055	27.7
266.86917	9.3
289.18127	47.8
295.06409	10.4
307.19131	11.6
313.11053	11.5
325.07440	15.8
325.14673	15.3
325.20581	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78975	10.8
54.91714	12.8
57.03431	25.7
59.01376	36.3
69.03452	20.0
69.32797	73.4
71.85186	14.8
80.02651	12.8
81.03438	15.7
83.01386	55.0
83.05012	34.1
85.18983	13.3
95.04994	13.4
97.02956	21.0
97.06589	63.6
107.09044	14.4
120.52389	13.8
123.04519	27.8
123.08172	20.1
125.09723	85.9
125.55502	12.4
126.82086	13.6
137.09712	45.5
140.36453	11.9
149.06020	16.9
163.11267	53.2
164.84264	12.7
165.12711	19.4
167.10774	69.8
171.10271	14.0
185.11784	41.4
191.14426	21.7
207.10255	50.9
209.11824	100.0
225.23004	12.3
245.19048	35.4
273.81784	16.7
277.73965	11.8
289.18057	35.1
318.17160	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	325.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	51.3
57.35756	20.5
59.01362	63.6
59.61705	19.1
65.39101	20.8
69.33463	100.0
69.33884	68.8
71.01409	30.2
83.05042	29.3
93.03456	19.9
97.06590	62.9
97.19777	20.1
111.08154	34.9
123.08176	22.6
131.21436	20.5
151.11263	62.6
165.12869	32.7
166.19864	24.2
181.12297	83.2
189.75372	21.9
197.11824	43.6
209.11780	87.3
211.13429	24.1
325.18234	45.5
333.98718	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	325.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15551	1.6
57.03428	6.5
57.67492	1.6
59.01364	7.2
61.36523	1.4
64.39605	1.6
69.03429	4.2
69.17808	14.1
69.18208	2.1
71.01366	3.7
71.05016	11.0
72.93268	1.8
80.02654	2.7
81.03481	1.5
83.04987	3.9
85.02968	2.0
87.04484	2.8
93.03468	2.1
95.04999	2.3
97.02931	5.9
97.06582	6.6
109.06592	24.3
125.06087	2.1
127.07674	3.1
151.11261	3.0
153.12923	1.7
169.12292	8.6
181.12344	4.7
183.13826	3.4
193.12305	4.6
197.11815	51.3
198.12076	2.1
199.13376	4.7
209.11745	3.5
211.13376	35.7
215.78862	1.6
219.13840	2.4
227.12885	7.3
233.11520	1.7
235.13354	5.9
237.14919	7.3
249.14954	4.8
271.20895	1.7
289.18033	7.3
307.19098	5.1
325.20157	100.0
326.20514	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.4
58.00590	5.0
59.01362	2.8
69.21113	5.3
69.21528	1.7
71.01383	2.0
73.02925	0.8
83.05038	1.0
84.02186	0.8
84.35637	0.7
95.05042	1.1
97.06596	3.7
109.06540	0.9
111.08174	1.0
113.06071	2.2
115.07635	4.1
125.09692	2.0
127.07653	6.4
151.11293	10.4
153.09174	0.8
153.12827	8.8
154.35622	0.7
155.10774	0.9
155.14420	2.5
155.73868	0.7
163.11189	1.2
165.12843	3.1
169.12413	1.2
171.10297	3.4
171.13916	1.3
172.09972	0.7
181.12363	3.0
183.13867	2.4
196.71474	0.7
197.11800	16.7
198.12239	1.2
199.13382	32.2
200.13739	1.7
205.12128	0.9
209.11815	8.6
210.12189	0.9
211.13409	1.4
215.12874	10.9
227.12869	100.0
228.13205	6.8
229.14429	34.2
229.16759	1.0
230.14778	2.0
245.19113	1.6
256.13223	0.7
263.20215	1.8
269.21237	1.7
279.19507	0.8
289.18115	4.0
297.20740	2.8
307.19116	16.8
308.19498	1.0
325.14923	1.2
325.20245	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	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75062	0.4
54.40108	0.4
57.60196	0.4
58.00594	0.6
59.01374	0.8
64.90780	0.5
70.61473	0.9
70.61805	1.1
71.01378	2.3
71.04988	0.6
72.02143	0.5
80.02682	1.8
81.03452	1.9
83.05019	6.8
84.02177	2.4
94.86763	0.4
95.05030	0.9
97.02906	0.5
97.06563	1.5
98.20498	0.5
99.08133	2.6
102.04825	0.4
102.94741	0.4
109.06583	0.8
111.08157	0.7
115.07639	1.5
116.07169	0.8
121.06535	0.6
125.06060	0.8
125.09712	2.1
127.07652	8.3
127.11211	0.6
128.07967	0.6
135.08153	0.8
139.07637	2.2
139.35612	0.5
147.11818	0.6
153.12839	0.6
155.10765	1.6
157.08711	0.5
163.11287	5.2
165.12825	4.0
171.10307	0.7
178.09964	1.8
181.12334	1.0
185.11812	9.3
186.12202	0.9
191.10764	1.8
197.11812	11.0
207.10262	0.8
209.11806	100.0
210.12117	5.4
225.11333	0.7
227.12871	6.1
238.12053	4.8
245.19060	1.2
256.13052	2.2
265.18005	0.5
279.19623	1.1
281.21246	0.6
289.18048	4.0
307.19125	55.9
308.19427	6.1
325.20181	24.3
325.24084	0.8
326.20395	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	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81922	0.8
52.96414	0.7
57.03421	1.1
58.00596	4.8
59.01364	2.3
60.48777	0.8
65.22607	0.9
68.21821	0.8
68.70862	0.8
70.71640	2.0
84.23295	0.8
95.37893	0.8
97.06601	2.1
105.12306	0.8
115.07645	0.9
127.07624	2.7
151.11255	3.6
153.09148	0.9
153.12827	3.7
155.14401	1.9
159.71091	0.8
165.12808	1.4
169.12338	1.5
171.10201	1.2
171.13933	1.6
181.12300	2.1
183.13866	1.7
191.10789	1.2
197.11794	10.6
199.13390	29.7
200.13734	1.3
209.11816	7.0
212.19508	0.9
215.12793	3.0
227.12881	100.0
228.13248	5.9
229.14420	10.8
230.14651	0.9
241.44748	1.0
245.19037	1.6
274.86127	0.9
289.18002	2.3
290.52255	0.9
307.19171	10.7
323.60257	0.9
325.20087	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	325.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.74734	0.3
62.95686	0.3
70.35195	0.7
70.35583	0.6
79.95699	1.5
82.92832	0.4
85.06615	0.3
119.05019	0.9
170.00459	1.5
183.01195	49.7
184.01920	3.5
197.02786	2.7
198.03477	0.6
216.00981	1.2
225.05865	0.6
230.02582	0.4
239.07404	0.7
325.18393	100.0
326.18713	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	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	6.3
71.01353	6.5
71.05001	2.6
71.29823	3.0
72.02158	2.3
75.05643	1.8
83.05051	4.2
84.02170	3.4
95.05020	4.8
97.06580	4.9
99.08131	2.5
109.06644	2.6
112.05314	2.4
113.02398	2.2
115.07673	2.4
117.93829	2.2
125.09709	7.7
127.07665	19.3
128.07881	2.0
135.08147	2.2
139.07629	4.4
140.50180	1.7
149.04573	1.9
153.09227	15.4
155.10757	3.1
163.11259	2.1
171.10310	17.4
178.10042	2.8
185.11792	20.2
197.11816	16.7
209.11806	62.7
210.12112	4.4
211.13312	5.6
227.12827	3.7
233.11435	2.4
237.14879	3.4
238.12061	5.9
239.15642	1.8
256.13162	3.7
259.90948	2.1
279.19373	2.3
281.21045	2.4
289.18222	14.6
307.19131	100.0
308.19467	7.7
325.16589	3.3
325.20184	50.9
326.20444	3.4
342.14398	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	325.1139
Annotation	Neohesperidose
Peak:m/z	Relative Intensity
55.01867	2.7
57.03448	38.4
59.01377	59.3
60.01711	1.4
63.88052	1.1
64.17840	1.0
70.90818	2.8
71.01378	25.2
71.40618	1.0
73.02936	9.5
81.48100	1.2
83.01395	2.7
85.02940	10.1
85.09499	1.0
89.02438	11.8
97.02950	1.4
99.00881	1.8
99.04513	31.6
101.02438	43.3
113.02446	7.0
115.03978	1.5
119.03490	3.2
119.05045	1.7
123.29672	1.0
125.02429	9.7
131.03519	3.7
131.04471	1.1
133.05090	2.1
140.70895	1.0
143.03516	3.9
145.04073	1.8
149.51042	1.0
161.04553	17.1
163.06126	31.8
181.07173	100.0
182.07523	2.2
199.33344	1.0
219.06935	1.1
223.08199	14.9
263.11328	1.5
271.16092	1.2
325.11359	29.6
326.11682	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
55.89100	0.7
59.01377	100.0
59.19489	0.8
60.01702	1.3
69.55849	5.4
71.01379	11.1
71.31964	0.7
72.99272	1.3
73.02945	4.3
75.68175	0.7
83.01377	2.4
85.02939	5.5
87.00861	0.9
89.02441	5.2
89.32153	0.8
90.02785	0.9
91.02856	1.0
91.79853	0.7
95.01384	0.9
98.19927	1.6
99.00871	2.4
101.02435	12.3
113.02443	4.0
117.03471	1.2
119.05023	69.6
120.05348	2.6
141.66339	1.0
142.70204	0.9
143.03488	0.9
145.02930	4.9
145.77878	0.8
159.03023	1.4
161.04556	9.5
163.03992	43.2
164.04340	2.2
168.53127	0.9
179.05536	1.2
265.12878	25.6
266.13266	1.5
325.14005	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	325.0926
Annotation	CHEBI:76092
Peak:m/z	Relative Intensity
59.01373	1.0
69.63707	3.6
71.01380	1.3
73.02929	1.6
75.00878	6.0
81.03456	1.6
85.05497	0.6
87.00890	3.6
93.03456	0.8
98.20635	1.0
99.04519	2.7
112.97124	0.7
113.02370	0.7
114.32143	0.8
117.03471	2.3
119.05022	89.8
120.05347	3.7
138.78331	0.7
145.02951	10.4
145.97554	0.6
147.59454	0.7
151.08328	0.7
161.04550	8.7
163.03996	100.0
164.04320	4.6
179.05608	9.0
185.23776	0.6
211.76459	0.7
264.03430	0.7
267.98865	0.8
325.09164	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	325.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47179	0.4
52.75248	0.4
57.03445	0.7
58.56841	0.4
59.01373	1.4
69.96723	2.2
71.01379	2.1
71.05043	0.6
73.02950	1.9
75.00877	2.9
81.03455	2.1
87.00874	1.2
90.90760	0.5
93.03481	0.8
98.20573	0.5
99.00916	1.2
99.04523	2.0
99.60600	0.4
108.83289	0.6
113.02469	0.5
119.05027	55.0
119.32997	0.5
120.05358	2.2
135.04607	0.5
143.03526	2.3
161.04590	2.5
163.04016	100.0
164.04370	4.8
179.05621	12.3
181.76242	0.5
301.93924	0.5
325.09305	2.5
326.09875	0.6
344.44769	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50366	0.7
59.01370	2.9
62.95673	0.6
64.29729	0.6
71.01380	1.7
71.05019	0.8
72.99303	2.6
73.02945	1.8
75.00871	32.8
80.76774	0.6
81.03442	2.2
87.00864	2.4
89.02446	0.7
99.00883	2.8
119.05026	15.2
120.05377	1.1
125.02476	0.8
132.12297	0.5
143.03494	7.2
157.78207	0.7
161.04550	5.2
163.04010	19.5
164.04276	1.5
179.05602	100.0
180.05966	3.2
193.32616	0.6
325.09366	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0927
Annotation	CHEBI:76094
Peak:m/z	Relative Intensity
57.12099	0.9
59.01372	4.1
69.37477	5.6
69.37881	2.1
71.01375	5.7
71.05009	2.3
72.99306	4.2
73.02943	5.5
75.00868	31.2
78.53280	1.1
80.75050	1.1
81.03467	3.8
87.00875	3.4
87.42954	1.1
98.20690	2.2
99.00863	5.4
99.04492	5.0
110.40491	1.1
119.05025	36.7
120.05341	1.6
143.03496	10.0
161.04546	12.3
163.04002	54.6
164.04320	2.5
179.05602	100.0
180.05934	2.9
254.11067	1.2
325.09302	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	325.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41454	0.6
57.03441	4.5
59.01381	6.7
60.70182	0.5
65.36082	0.6
71.01382	13.0
72.27856	0.5
85.02967	1.3
87.00880	7.8
87.04523	1.0
89.02436	3.4
99.04487	2.9
101.02441	4.0
112.98811	1.7
113.02412	0.8
115.62349	0.6
125.02451	1.1
133.05066	100.0
134.05406	2.7
135.03069	0.6
142.99841	0.8
161.04547	1.6
163.04027	0.9
163.06068	2.7
173.00920	0.6
181.07185	9.0
191.05661	0.7
193.72189	0.5
222.17368	0.5
223.08234	1.0
228.90721	0.7
234.00481	0.6
325.11041	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0927
Annotation	p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
59.01376	5.9
62.47129	0.6
63.77366	0.6
70.51331	0.5
70.52612	0.5
71.01369	4.2
71.05005	3.2
72.92426	0.5
72.99306	4.4
73.02937	4.4
75.00867	33.2
81.03444	6.3
87.00885	2.0
89.02421	0.6
97.02950	1.7
99.00871	3.4
99.04503	1.7
100.95914	0.6
111.04472	0.5
119.05018	36.1
120.05314	1.7
125.02456	4.3
128.76807	0.5
134.03735	0.9
143.03481	8.0
145.02931	1.0
149.04530	1.1
161.04550	19.5
163.04002	45.1
164.04384	2.6
179.05605	100.0
180.06033	3.8
193.05057	1.2
207.98398	0.6
229.03745	0.6
325.09207	11.1
326.09460	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34854	1.1
57.03443	2.4
59.01378	7.3
69.03434	2.0
69.21600	10.5
78.74903	1.1
83.05018	1.3
83.90565	1.1
87.32741	1.0
95.36499	1.1
97.06631	2.0
111.08100	1.3
125.09713	3.7
151.11226	1.4
153.09250	1.1
163.11256	4.1
165.09238	1.4
165.12820	5.2
179.10852	1.4
181.12331	2.7
191.14291	1.5
193.12352	2.1
197.11841	7.0
209.11830	1.6
219.13744	1.2
221.11899	1.4
225.15015	1.3
237.14940	3.7
239.12842	3.5
241.14229	1.5
242.42130	1.4
247.20625	2.7
265.45670	1.1
271.81476	1.0
273.18619	4.2
291.19641	64.9
292.19955	6.2
305.21219	2.7
308.19949	6.8
323.22256	100.0
324.22583	9.5
324.46967	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80035	0.8
59.01382	10.8
62.37995	0.9
69.03428	1.0
70.59097	2.4
71.01384	1.0
97.06609	2.6
102.95953	0.8
123.04525	1.4
137.09778	0.9
165.12865	2.5
181.12355	1.2
193.12312	2.3
197.11877	1.7
239.12842	1.2
261.22220	5.1
265.51282	1.0
291.19620	12.2
292.20001	1.7
305.21198	100.0
306.21628	10.0
308.19946	2.0
323.22256	42.6
324.22638	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	323.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41590	1.0
51.52371	1.0
57.03433	2.0
59.01374	9.7
61.98819	1.2
66.72829	0.9
69.03433	1.9
69.47643	1.1
70.53696	2.9
70.54050	1.8
71.01379	2.2
88.06470	1.2
92.38103	1.0
93.81824	1.0
97.06557	1.3
109.06573	2.4
111.08147	5.1
123.08170	2.7
125.09763	3.5
128.03520	1.4
137.09674	2.3
141.09239	1.5
151.11250	2.7
163.11246	3.6
165.09145	1.4
165.12833	2.8
171.10220	1.2
181.12364	7.3
189.92548	1.1
191.14316	2.2
197.11823	34.2
198.12238	1.7
205.12251	1.2
209.11774	2.1
212.14153	1.2
213.15016	6.9
220.14682	6.6
221.15448	2.0
225.14894	2.3
229.19560	1.1
239.12897	4.0
241.14468	3.5
244.12968	2.3
247.20609	1.8
253.14494	1.8
263.20139	1.5
273.18668	6.5
275.72733	1.1
291.16324	1.5
291.19650	42.1
292.20047	3.2
305.21173	5.7
308.19952	6.7
323.22253	100.0
324.22559	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	323.1862
Annotation	Marrulanic acid
Peak:m/z	Relative Intensity
57.03428	17.0
59.01379	64.4
61.98827	7.6
67.01893	8.9
69.03468	7.4
71.01385	17.9
71.04999	11.2
71.53905	8.1
73.02946	6.2
80.02670	7.7
81.03452	10.7
83.05032	56.4
85.02966	9.0
89.14116	4.2
93.03455	15.8
95.05027	23.8
96.95999	11.8
97.06579	15.6
99.04531	8.3
105.07106	5.6
107.04996	9.5
108.02167	5.1
109.02957	5.6
109.06567	18.2
111.04520	87.4
113.02487	7.9
117.07095	20.7
123.08167	24.4
125.09714	18.1
133.06610	17.7
135.08142	13.0
143.17673	5.1
149.86389	5.8
151.07605	16.9
151.11278	9.5
163.11195	7.7
165.12825	15.5
169.12354	5.2
171.10260	87.0
181.12312	21.9
185.11826	8.0
189.12836	5.6
191.10745	11.9
209.11835	60.2
211.13431	10.7
225.11299	9.6
225.59850	4.9
229.14363	6.1
235.13289	6.6
237.14941	12.8
243.27376	5.5
247.13310	6.2
261.18103	6.5
277.18045	11.8
279.15970	14.7
287.16367	29.5
295.19159	100.0
296.19424	13.5
305.17630	48.1
323.15311	8.4
323.18704	33.6
324.88571	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	323.186
Annotation	Hynapene A
Peak:m/z	Relative Intensity
55.97070	2.1
57.73378	2.0
59.01371	16.0
62.49704	2.0
69.41737	2.9
71.30454	4.4
80.02691	5.3
81.03445	4.2
83.05029	5.0
91.04498	2.1
91.05521	3.5
97.02940	4.2
97.06589	62.6
98.06903	3.4
105.75456	2.4
109.06584	49.8
110.03736	3.0
117.07084	3.2
119.04958	5.8
123.08198	4.0
123.09956	2.1
125.09728	46.3
128.31273	2.5
135.08160	24.4
142.02625	2.6
161.06075	30.8
163.11288	12.8
181.12328	8.4
185.11821	3.0
207.10245	44.7
208.10687	2.1
209.11835	2.7
225.11288	39.1
225.22913	2.2
226.11790	3.1
243.17459	3.8
261.14871	3.7
263.29068	2.3
277.17950	5.4
279.16000	61.2
280.11191	2.9
280.16263	7.4
287.16565	21.4
305.17542	100.0
306.17770	9.3
323.18631	9.5
341.19861	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	323.1862
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03448	14.2
59.01382	30.2
61.98819	10.7
69.03436	5.3
69.45807	18.3
69.82556	2.5
71.01369	7.7
71.05013	10.5
81.03459	5.7
83.01372	12.6
83.04986	7.1
84.02193	3.4
85.02941	5.2
87.92455	2.6
95.05032	23.5
97.02985	3.0
97.06577	22.5
99.04522	4.4
99.92591	3.1
101.02428	5.4
107.05007	5.7
109.06596	15.3
111.04534	3.8
111.08160	5.1
113.06066	7.9
116.92856	5.7
123.04540	3.8
123.08128	5.3
125.06110	3.6
125.09755	19.5
135.08165	8.9
145.02893	3.1
151.11244	5.2
163.11285	12.8
165.09235	4.3
165.12877	13.2
167.10820	4.7
168.01100	3.2
179.10779	4.4
181.12350	16.9
183.47708	3.2
185.11829	17.0
189.12799	3.0
191.10669	11.5
197.11748	2.9
203.14410	7.4
207.10202	7.6
209.09915	5.6
209.11818	100.0
210.12131	3.5
211.13327	3.5
220.28865	2.9
225.11317	16.1
226.11864	3.9
237.14929	38.1
238.15219	2.7
243.17545	6.9
247.13359	7.8
249.14856	4.1
259.17001	3.3
261.18362	3.4
265.14377	18.3
273.82758	2.6
277.18137	8.3
279.15994	10.2
279.19412	2.8
287.16562	21.0
305.17535	42.2
306.17871	4.1
323.18634	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	323.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78869	0.4
59.01379	100.0
60.01715	1.2
70.16333	1.4
71.01395	1.7
73.02954	0.7
74.03344	0.4
75.00887	0.4
85.02984	1.0
89.02436	0.5
98.19980	0.4
101.02474	1.7
108.02195	0.6
109.02997	0.4
113.02476	0.6
119.05032	1.7
125.92280	0.4
152.01141	0.9
161.04634	0.7
166.12000	0.4
175.14807	0.4
195.00067	0.5
236.42477	0.6
249.11246	0.5
263.14966	3.7
275.22943	0.5
278.90802	0.5
295.44730	0.4
331.00223	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1862
Annotation	Hynapene A
Peak:m/z	Relative Intensity
55.99030	6.5
57.03468	14.4
59.01385	73.6
70.63063	17.8
71.01371	11.0
71.05016	100.0
72.62528	6.8
79.60875	6.0
81.03413	8.9
90.60102	6.8
95.05032	54.6
106.04262	7.2
107.05031	8.2
109.06561	39.6
119.04978	10.3
121.06610	12.8
127.07635	10.2
135.08104	12.9
137.06049	7.8
165.09198	18.3
177.12817	7.3
179.10735	9.2
189.12785	36.4
199.65022	7.7
204.28606	7.0
205.15997	19.4
214.54404	8.5
221.11787	10.1
231.13919	9.1
233.11726	8.2
237.14919	80.1
243.17635	34.4
249.14920	35.5
262.80222	6.6
272.35391	8.3
276.53741	6.5
287.16495	76.9
305.17538	76.5
305.21222	31.3
306.17984	11.7
323.18842	15.9
323.22244	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41265	0.5
50.60139	0.5
54.40330	0.5
57.03445	2.1
58.07029	0.5
59.01382	4.1
60.83579	0.5
64.12233	0.6
71.01391	3.9
71.52750	0.7
71.53156	0.5
72.99288	0.5
75.00870	1.5
80.96540	1.2
83.01389	1.5
85.02950	4.0
87.00883	2.3
89.02441	1.3
93.03471	1.2
97.02953	0.5
98.95613	0.6
99.00904	1.3
102.05639	0.7
111.00890	1.7
117.03470	19.0
119.05028	32.2
120.05365	1.4
121.02908	0.6
129.01953	5.4
141.01898	2.4
145.02956	100.0
146.03302	4.2
159.03000	3.9
163.04007	38.2
164.04341	1.8
177.04074	3.3
187.07692	0.8
203.03458	0.7
203.07140	0.9
205.05078	1.0
217.04977	0.8
323.07745	11.7
323.11499	0.7
324.08203	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
58.00587	3.3
59.01375	82.9
62.64116	0.9
66.96226	0.9
71.01377	43.1
71.06768	1.7
72.99312	1.7
73.02936	1.2
77.03864	0.8
80.61210	0.9
83.01373	2.7
85.02945	9.2
87.00895	1.3
89.02439	50.5
95.01373	3.2
99.53625	1.0
101.02436	28.9
110.67268	0.9
113.02439	16.5
115.57977	0.9
119.03489	21.9
131.03474	1.4
143.03508	1.8
149.04509	1.7
161.04555	1.3
161.08241	0.9
179.05609	3.2
195.28540	0.8
323.13434	100.0
324.13788	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	322.2022
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
50.71059	0.3
51.88933	0.2
55.93821	0.3
58.02974	2.3
59.01376	2.6
61.98840	0.3
64.52391	0.3
69.62852	0.7
69.63265	1.2
71.01361	0.6
71.66820	0.3
81.03465	0.6
86.48162	0.3
95.05027	1.0
97.06578	0.7
109.06602	0.6
128.10808	6.3
130.08733	100.0
131.09109	2.9
139.78488	0.3
161.04706	0.4
165.12791	0.7
172.09821	0.6
204.10242	1.9
209.11792	1.0
225.07736	0.3
236.12851	1.3
250.31688	0.3
293.34116	0.3
305.17535	0.9
322.20193	39.0
323.20773	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	323.077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44940	0.5
57.03443	1.5
59.01376	6.1
69.48764	4.0
70.11310	0.5
71.01380	4.5
75.00873	1.7
83.01380	1.3
85.02942	4.4
87.00869	2.7
89.02452	2.0
91.21490	0.6
96.96004	0.8
97.02946	1.3
98.95572	1.0
99.00912	1.7
101.02413	1.1
111.00881	1.9
113.02438	0.7
116.45581	0.5
117.03460	21.4
117.04289	1.0
118.03761	0.7
119.05022	32.0
120.05379	1.3
129.01929	6.8
141.01915	1.3
145.02946	100.0
146.03284	4.1
159.02966	4.4
163.04001	39.4
164.04329	1.4
177.04019	3.1
190.37463	0.5
203.03551	1.2
203.07108	2.0
205.05124	0.7
217.05014	0.8
233.08347	0.6
235.06323	0.6
305.06802	0.8
323.07666	12.7
323.13391	0.8
324.07986	0.7
340.91257	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.4
58.00576	2.7
59.01377	84.7
60.01702	1.1
60.72972	0.8
71.01380	41.1
71.53118	1.2
72.99298	3.1
73.02937	1.8
75.04102	0.8
78.18398	0.9
82.34767	0.9
83.01380	2.5
85.02946	10.2
87.00870	2.2
89.02441	36.5
93.03461	1.9
95.01380	2.7
96.96000	15.2
98.17955	0.9
101.01801	1.9
101.02439	28.8
101.03109	1.6
108.04525	1.6
113.02443	13.9
113.09749	2.3
119.03506	15.4
119.04946	1.0
131.03461	1.8
136.73970	1.0
141.08316	1.2
141.09239	12.7
143.03511	1.1
145.02946	1.8
152.03506	3.1
159.10225	3.8
161.04524	1.3
173.11800	5.8
177.05592	1.4
216.06299	0.9
221.04515	3.2
253.27977	1.0
261.03970	1.2
279.14334	1.2
318.35678	1.2
321.06799	2.1
321.15512	100.0
322.16000	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	321.2432
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
55.50512	1.0
59.01376	11.7
61.89612	1.1
61.98815	1.4
78.95909	10.7
79.95731	2.0
80.96504	6.8
86.02475	1.8
100.41888	1.0
111.99280	1.1
209.09531	1.1
223.17006	12.3
229.37012	1.2
251.16508	14.4
256.16824	2.6
258.54852	1.5
284.16318	4.5
303.23190	10.4
305.47195	1.0
321.24384	100.0
322.24673	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	322.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.3
57.03444	1.6
58.00581	3.0
59.01377	100.0
59.16220	1.2
69.24159	13.1
71.01378	57.0
72.99303	5.1
73.02940	2.3
73.58080	1.6
77.29691	1.2
78.40203	1.2
83.01381	3.3
85.02937	13.9
87.00842	2.6
89.02442	54.5
95.01383	4.2
101.02439	30.4
102.55756	1.4
113.02441	21.7
116.05068	34.3
117.05363	2.1
119.03501	19.9
119.05028	4.1
143.03468	3.4
144.04561	2.0
145.02954	13.2
149.04637	2.2
159.03035	1.4
160.04034	60.4
161.04527	6.5
163.03981	4.3
179.05647	3.3
202.05092	31.6
222.04880	3.2
232.06114	5.3
262.04645	2.0
262.07181	45.3
262.09967	2.4
263.07574	5.0
296.62698	1.3
322.09305	77.9
323.09406	6.2
323.12997	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01711	1.3
68.50541	0.3
71.01369	2.1
87.00864	0.4
89.02435	3.7
96.96008	9.3
101.02467	1.7
113.02467	1.3
119.03513	0.9
140.46065	0.4
173.11844	0.7
179.05650	0.4
193.16029	0.4
233.76741	0.4
257.67416	0.4
271.34229	0.4
279.78323	0.4
321.06442	0.8
324.67426	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01709	0.5
62.09199	0.6
66.95227	0.6
71.01382	3.3
71.53919	0.8
72.45831	0.5
73.02969	0.9
83.01347	0.8
85.02953	1.8
89.02451	1.7
96.96003	1.3
99.00916	0.7
101.02435	2.9
113.02493	1.4
116.83791	0.5
122.58589	0.6
146.81534	0.6
161.04584	1.2
174.72940	0.6
261.13437	1.5
321.10361	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13801	0.4
59.01376	100.0
60.01710	1.0
71.01373	3.6
71.08460	0.4
71.08820	0.7
73.02974	0.4
85.02950	0.9
89.02449	4.6
91.57556	0.4
96.95998	0.6
97.02969	0.8
101.02432	2.1
102.93888	0.5
105.68845	0.4
108.03652	0.5
109.06627	0.5
113.02473	2.3
113.09757	0.5
119.03514	1.6
122.03749	1.1
137.06068	0.6
149.08339	0.4
159.10321	0.5
179.05771	0.5
182.99806	0.5
187.11288	1.0
198.22960	0.4
205.12280	3.3
279.12314	0.5
308.71292	0.5
321.15942	0.6
321.19257	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
59.01377	100.0
60.01710	1.4
60.73547	0.5
70.51752	1.7
70.86632	0.5
71.01373	3.7
73.02967	1.2
75.00871	0.7
85.02962	2.3
87.00899	0.7
89.02450	1.4
96.96006	11.4
97.16397	0.5
99.00901	0.8
101.02441	3.6
108.04559	1.0
113.02465	1.7
135.00322	0.5
136.07748	0.6
161.04556	1.6
173.11806	6.5
180.03032	0.8
190.05176	0.5
196.99133	0.6
233.54120	0.5
241.10663	0.6
259.14304	0.6
261.13452	3.3
279.14600	2.0
297.83078	0.6
321.06476	1.7
321.10049	1.1
321.15518	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	321.0823
Annotation	2-O-L-ramnopyranosyl-4-Deoxy-alpha-L-threo-hex-4-enopyranosiduronoic acid
Peak:m/z	Relative Intensity
53.47002	0.9
55.66032	0.9
56.60026	1.0
57.03436	4.0
58.02967	1.6
59.01381	7.4
69.03452	6.1
70.17137	4.1
71.01377	12.4
72.99265	1.1
73.02946	12.8
78.85654	1.1
79.47553	0.9
83.01369	2.5
84.04539	1.7
85.02946	33.6
86.39676	1.0
87.00874	100.0
92.04985	1.2
92.92207	1.0
95.01389	5.3
96.95999	13.5
97.02942	24.6
99.00845	1.7
101.02424	1.4
103.04008	11.2
109.02933	1.2
111.00874	1.6
113.02436	9.1
113.63297	1.2
115.00361	11.3
115.04005	2.3
125.02339	1.1
128.03555	5.8
129.01944	2.8
142.05096	1.0
144.04543	2.1
147.06618	10.3
148.04008	2.2
157.01443	9.3
160.06134	2.1
164.89543	1.4
175.02469	50.3
175.04004	2.5
217.03503	19.4
218.04015	1.0
277.08170	1.9
303.07199	6.1
321.08084	2.6
322.11386	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	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08509	0.6
59.01379	100.0
60.01717	0.8
60.18361	0.5
66.24198	0.6
71.01375	4.8
73.02972	0.8
85.02955	1.4
89.02434	4.9
91.47007	0.5
94.87720	0.5
96.96027	2.7
97.10759	0.5
101.02449	3.2
113.02480	1.8
119.03497	2.1
136.07675	1.1
139.41214	0.7
161.04599	1.0
179.05638	0.8
190.87903	0.6
215.11945	0.7
310.13284	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31277	0.6
59.01376	100.0
60.01719	0.8
61.43570	0.6
66.02426	0.5
69.39874	4.5
71.01381	5.3
72.01760	0.7
72.99300	0.9
73.02940	1.3
73.04063	0.6
75.00880	0.7
82.02988	1.3
83.03336	1.1
85.02966	1.5
85.04065	10.4
85.04578	0.6
86.02510	0.7
86.03819	0.7
86.04426	2.3
87.00842	0.8
87.05629	2.9
88.04045	2.0
89.02461	2.5
101.02425	3.1
102.00213	1.3
109.04028	0.9
110.06104	2.0
113.02464	2.0
119.02795	0.7
119.03553	0.8
122.06133	2.2
127.05103	2.8
128.03534	18.8
128.05525	1.9
129.03886	9.0
133.06522	0.6
135.05681	0.8
136.04094	0.9
136.05989	1.1
141.09206	0.8
145.06161	0.7
152.08293	1.4
153.08678	1.4
154.07022	0.8
157.06192	7.8
158.03716	2.8
158.06555	6.6
159.04494	0.9
161.04619	1.0
163.03999	0.8
166.06224	1.4
167.06580	1.0
174.02322	1.4
174.37021	0.6
174.77528	0.6
175.02573	1.9
177.05612	0.9
179.04547	0.8
180.05003	1.3
182.88591	0.6
196.07288	1.4
197.07578	2.7
201.11374	0.6
203.12982	3.8
221.04576	2.4
225.10846	0.7
227.63771	0.7
259.10999	1.6
261.13376	3.4
269.09711	2.9
277.11887	1.0
286.10519	2.0
287.10776	7.8
303.08414	2.2
321.09396	19.7
321.15051	6.0
322.08893	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	321.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	44.8
59.01377	84.2
61.98819	6.7
66.01931	3.8
70.66171	5.2
70.66525	8.1
70.98042	3.3
71.01375	51.2
73.02939	15.3
74.02461	5.3
81.60800	3.6
83.01385	6.7
84.04532	27.9
85.02945	25.2
87.00886	22.6
87.04531	4.1
87.62119	3.7
88.04050	36.7
89.02447	18.7
90.15057	3.4
92.05057	33.4
93.74722	3.4
95.05035	6.4
96.05666	3.7
96.95984	6.2
97.02942	9.5
97.06601	15.8
99.04514	5.4
101.02429	21.5
106.49071	3.5
110.30961	3.7
113.02445	16.2
114.01965	5.5
115.00365	23.5
116.03550	5.1
119.03495	8.7
119.05009	4.9
120.04539	11.3
125.02464	7.3
128.03542	100.0
130.05095	6.6
130.06587	4.2
131.77631	3.6
132.03014	14.6
141.05527	17.4
144.04559	47.9
146.02498	15.1
146.06140	16.3
147.04524	5.3
148.04041	77.0
159.03053	3.6
159.06602	11.4
160.04033	12.1
161.04543	10.9
164.07124	8.6
168.70816	3.8
173.04509	6.5
173.07166	12.7
174.04070	17.3
175.02496	9.3
187.05130	14.1
190.05132	8.6
215.08247	26.9
217.06163	4.8
235.07214	6.6
259.07269	18.7
260.71014	3.8
277.08276	56.3
303.06329	5.7
321.07132	36.5
321.11798	36.7
321.15561	15.4
322.06021	6.7
322.11914	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	319.2276
Annotation	20-HETE
Peak:m/z	Relative Intensity
55.53639	0.7
57.03439	1.0
59.01406	1.7
70.45576	1.4
70.45909	1.5
71.01393	0.6
74.02463	0.9
77.98639	0.6
95.05030	1.0
95.26852	0.7
98.19731	0.7
111.08149	6.3
195.13910	3.4
205.15932	2.1
207.13892	2.2
223.17035	12.8
224.17401	1.2
244.81693	0.7
271.09448	0.7
301.21793	2.4
319.22754	100.0
320.23120	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	321.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	25.6
59.25115	1.1
62.81879	1.1
68.99829	5.8
71.01378	15.9
72.99292	1.4
75.00819	1.6
79.18220	1.1
83.01384	16.0
83.17862	1.0
85.02942	6.6
86.37184	1.2
87.00877	7.0
89.02435	3.2
93.03453	19.0
96.99313	3.7
99.00908	1.7
101.02440	3.9
108.02222	1.4
111.00870	5.1
113.02456	3.2
115.00359	14.3
115.88036	1.5
117.03428	5.6
118.25310	1.1
119.03571	1.9
119.05019	30.7
119.05821	2.1
120.05357	1.3
121.02919	2.0
121.06583	1.5
125.82800	1.2
127.00365	8.2
127.76755	1.2
131.05028	2.7
133.02927	2.3
133.06580	16.4
135.04448	1.4
139.00386	10.5
143.05006	3.8
145.02954	12.6
145.06607	4.0
147.04521	21.9
148.05002	1.6
149.06049	17.1
151.00377	1.9
157.01425	16.3
157.06543	3.3
158.03854	1.5
159.04495	4.4
159.10249	1.1
160.05273	2.7
161.02470	2.1
161.04698	1.7
161.06070	10.3
163.03987	7.2
165.05511	7.6
173.06068	6.6
174.03270	1.9
175.02487	17.6
175.03946	2.7
175.07608	2.9
177.05562	32.4
177.07127	1.9
185.06041	5.0
187.04007	2.0
188.04697	1.4
189.05589	7.7
193.05017	9.7
201.05457	2.1
203.07141	21.1
204.07462	1.7
215.07144	3.5
217.05045	12.5
218.05536	1.4
221.04539	100.0
222.04929	6.0
229.05013	4.1
231.06653	1.7
233.08154	1.7
247.06041	1.6
247.15437	3.4
261.04004	29.0
277.07208	6.0
279.14468	3.1
291.05121	9.9
303.05096	4.7
321.06100	14.7
321.09473	1.9
321.15463	6.6
322.06555	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	319.1911
Annotation	Cespihypotin T
Peak:m/z	Relative Intensity
59.01365	7.1
61.98812	4.0
65.03955	2.7
67.85722	2.2
69.03465	14.3
71.00504	3.1
71.00832	2.8
71.05017	100.0
72.05366	2.1
73.02926	2.6
80.02678	4.5
81.03453	9.5
83.01409	2.2
83.05035	3.3
92.29006	2.2
93.03436	3.1
95.01397	16.1
95.05035	6.4
97.02939	13.4
97.06581	4.7
106.04222	2.9
107.05041	2.8
108.02164	7.3
109.02946	6.2
109.06594	3.0
111.04536	2.6
111.08166	2.6
119.05016	9.8
121.02922	3.4
121.06620	10.9
122.03705	3.2
136.05318	12.5
147.04538	5.2
158.32124	2.5
161.06131	3.0
162.06804	4.9
176.08456	3.9
177.12843	3.4
194.50189	2.2
203.14323	4.2
215.10747	4.3
231.13870	13.7
243.17531	12.4
245.15436	3.7
247.13313	8.2
254.89749	2.4
259.17035	2.6
263.16428	15.6
269.15564	3.7
275.20291	3.2
287.16498	45.8
288.16840	5.6
290.15140	3.3
291.16022	2.2
291.19632	5.6
301.18066	4.1
304.16705	3.2
319.19122	94.5
320.19550	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	319.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44154	0.9
58.02977	5.8
59.01381	8.2
61.32935	0.8
63.10211	0.7
69.91420	1.9
69.91826	2.8
71.01343	1.3
72.00906	3.9
73.52378	0.9
78.40334	1.0
81.03453	7.7
82.06631	2.2
83.01394	1.1
85.02954	1.6
91.05528	8.6
93.03470	0.9
96.04649	1.0
97.02951	2.9
99.04484	1.2
105.35725	1.0
111.53136	0.8
112.07679	2.8
118.06616	3.1
121.02905	1.0
123.00916	1.6
123.04568	1.5
125.02437	8.8
126.09228	1.9
129.10338	70.5
130.10648	2.5
135.04521	2.9
135.32272	0.9
137.02437	1.5
137.30083	0.8
138.03194	2.1
145.18692	1.0
147.04515	25.8
153.05553	2.4
153.10324	3.5
154.08714	10.8
163.04005	5.7
164.07156	59.2
165.07521	2.1
167.35468	1.0
171.11392	46.1
172.11737	1.6
178.06314	4.8
183.11272	1.1
185.64107	1.1
189.01817	1.0
193.08716	3.6
211.04240	1.0
219.06601	0.9
229.05083	1.2
231.02937	1.0
231.06723	1.2
232.03746	1.1
232.07390	1.1
233.16574	33.5
234.05286	1.3
234.16901	2.0
243.06561	2.1
244.07219	1.1
245.08182	3.1
263.68597	1.0
271.06100	8.3
275.12866	1.8
275.17557	4.8
277.15549	2.7
286.08414	3.8
289.07095	3.7
301.10938	5.1
304.09677	1.7
319.11911	33.9
319.16595	100.0
320.12201	3.2
320.16907	12.0
336.88028	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.1
59.01376	100.0
59.72534	1.1
65.70317	1.3
66.59895	1.3
69.95611	5.5
71.01377	22.7
73.02943	21.1
75.00842	2.3
83.01383	4.5
85.02945	5.2
85.04061	3.5
88.04048	1.7
89.02448	5.5
89.57232	1.3
99.00874	1.9
101.02441	16.4
109.02986	1.5
113.02411	8.6
113.06063	1.5
118.46329	1.2
119.03512	2.7
125.02456	2.4
127.07648	5.9
128.03555	6.4
131.03467	2.1
135.02995	3.1
137.02440	8.1
138.03200	3.3
139.03979	1.2
140.07137	1.8
157.06172	3.5
157.08640	1.9
161.04585	3.2
165.01881	1.5
166.02718	6.9
171.06697	2.5
172.04008	2.0
189.06717	1.3
201.07669	1.4
201.11308	3.8
275.06766	1.5
277.12930	2.7
286.10446	1.6
313.75266	1.2
319.07980	2.9
319.10452	1.3
319.13766	9.2
319.17377	2.0
320.08755	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	319.1397
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
57.03449	2.1
59.01376	100.0
59.72534	1.1
65.70317	1.3
66.59895	1.3
69.95611	5.5
71.01377	22.7
73.02943	21.1
75.00842	2.3
83.01383	4.5
85.02945	5.2
85.04061	3.5
88.04048	1.7
89.02448	5.5
89.57232	1.3
99.00874	1.9
101.02441	16.4
109.02986	1.5
113.02411	8.6
113.06063	1.5
118.46329	1.2
119.03512	2.7
125.02456	2.4
127.07648	5.9
128.03555	6.4
131.03467	2.1
135.02995	3.1
137.02440	8.1
138.03200	3.3
139.03979	1.2
140.07137	1.8
157.06172	3.5
157.08640	1.9
161.04585	3.2
165.01881	1.5
166.02718	6.9
171.06697	2.5
172.04008	2.0
189.06717	1.3
201.07669	1.4
201.11308	3.8
275.06766	1.5
277.12930	2.7
286.10446	1.6
313.75266	1.2
319.07980	2.9
319.10452	1.3
319.13766	9.2
319.17377	2.0
320.08755	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	319.1398
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
51.28841	2.4
55.01865	6.1
57.03431	7.7
57.70965	2.1
58.00577	2.6
59.01377	100.0
64.17551	2.0
66.65240	1.9
68.98427	2.1
69.03434	5.1
71.01377	77.8
71.05001	3.8
71.53369	3.8
72.01716	2.0
72.20553	2.2
72.99284	5.8
73.02945	22.2
82.02985	4.6
83.01366	12.6
83.11591	2.0
85.02958	31.2
85.03436	3.2
85.03535	2.7
85.04066	36.7
86.00125	2.6
86.81137	2.6
87.00851	5.9
87.04502	5.4
87.05630	8.9
88.04033	4.7
89.02441	38.6
89.89376	2.0
95.01378	6.0
99.00887	11.0
101.02441	64.9
108.09054	2.5
113.02446	30.2
119.02805	4.5
119.03493	18.4
119.05044	2.6
125.02446	3.5
127.05132	9.3
127.07609	2.4
128.03535	67.3
135.05699	5.2
137.02510	2.3
139.07632	2.7
143.03510	4.9
145.06189	4.2
152.08263	7.8
157.06180	36.0
157.08665	8.9
159.03023	3.1
159.07727	2.2
161.04518	13.6
162.01215	2.6
166.06166	2.2
174.02292	13.1
175.78908	2.3
178.06165	3.1
179.04469	3.0
179.70045	2.4
184.07295	4.6
196.07301	11.4
201.11481	5.3
212.96434	2.3
224.10432	3.4
257.13086	2.3
268.09341	9.9
275.14960	12.0
286.10416	24.2
302.08142	6.4
319.08270	3.7
319.13962	96.4
320.09146	65.4
320.14297	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	319.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75939	0.8
55.01864	1.8
57.03436	2.5
58.00577	1.2
59.01377	51.3
59.84718	0.8
61.98823	2.4
69.03436	1.4
69.18519	7.7
71.01378	38.5
71.05006	1.2
72.04514	1.0
72.99297	2.9
73.02947	2.8
73.04068	1.8
75.00858	1.2
82.02979	5.4
83.01388	4.3
84.04518	1.4
85.02950	9.7
85.04071	45.2
86.02450	2.2
87.00861	1.3
87.05630	12.9
88.04031	7.8
89.02441	25.5
95.01373	2.9
97.04050	1.4
99.00867	1.7
101.02431	21.7
102.00180	7.4
107.06123	0.9
109.02984	1.6
109.04088	3.6
113.02447	12.1
113.03226	1.2
113.03564	1.5
119.02677	4.3
119.03551	11.9
119.04896	1.0
120.00643	0.8
125.02454	8.9
126.05572	2.4
127.05132	13.5
128.03532	100.0
131.03456	1.2
135.05640	7.9
137.02425	1.8
139.07635	9.3
143.03493	1.2
145.06216	4.4
151.00406	1.6
152.08282	7.4
153.06667	4.1
153.19568	0.7
157.06177	59.7
157.08702	2.6
159.07729	2.3
161.04587	1.8
165.01892	1.9
166.02646	0.8
166.06212	7.1
167.03452	1.1
170.09299	1.2
173.91046	0.8
174.02280	19.1
175.00349	1.4
178.06235	3.7
178.99918	1.4
179.04549	8.2
184.04913	2.2
184.07195	4.4
185.05690	1.3
190.00261	0.8
191.03485	1.3
191.05016	5.7
193.01375	9.4
196.07263	13.3
197.05681	2.4
201.11328	4.4
214.08299	3.3
224.10423	2.7
242.11536	1.7
244.40405	0.9
248.07121	2.3
268.09399	9.5
275.14948	1.5
286.10419	32.0
289.17511	0.9
301.03693	1.1
301.06863	0.9
302.08069	5.7
319.13959	68.2
320.09158	86.7
320.14413	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	319.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86582	0.8
58.94712	0.9
59.01367	2.6
68.99570	75.2
69.68198	3.2
71.01370	1.4
89.02473	0.9
92.96018	1.0
107.46423	1.0
112.98563	100.0
123.62539	0.9
123.81890	0.9
200.69014	0.9
238.42520	1.1
258.97675	1.8
277.10367	1.1
294.70474	1.1
319.09549	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0458
Annotation	Fusarubinoic acid
Peak:m/z	Relative Intensity
57.03441	3.1
59.01384	22.2
67.01903	2.1
69.21095	1.6
71.01376	5.0
71.52374	2.4
73.02940	2.6
77.07413	1.7
83.01377	3.3
85.02900	2.2
93.03461	2.3
95.01406	2.8
99.00871	6.4
109.02930	5.1
111.00909	4.1
113.02437	2.1
115.05522	5.5
115.92052	3.6
116.92834	5.8
117.92861	9.3
119.05033	4.2
121.02933	5.6
123.00861	6.7
125.02446	22.6
127.00366	2.0
128.03514	4.5
131.04951	3.3
133.02870	2.3
133.06573	3.1
135.04451	2.3
137.02399	10.5
138.03175	2.0
139.00351	2.9
139.04005	2.5
140.07164	2.1
141.01939	14.1
143.05003	7.4
145.02908	6.2
145.06577	3.4
146.02438	1.9
147.04491	5.0
149.02405	5.5
151.00386	4.7
153.01968	15.4
154.02646	2.3
155.04993	3.2
157.06490	2.2
159.04512	13.1
161.02475	2.7
161.06076	10.3
163.03952	4.5
165.01895	7.2
166.02757	2.1
167.03612	2.1
167.05002	7.1
169.02872	5.7
169.06537	5.7
171.04456	6.8
173.02365	4.0
173.06033	2.8
175.03960	6.7
177.01915	20.9
177.05618	2.2
182.03726	4.7
183.04497	17.2
185.02422	3.4
185.06024	4.2
187.03989	16.3
187.07414	1.8
189.01884	3.1
189.05515	8.1
190.02679	5.1
191.03474	19.7
193.01382	7.1
195.04453	3.0
197.02412	6.6
198.03174	2.7
199.03923	5.4
201.01872	3.4
201.05504	4.0
203.03513	2.1
205.05009	5.0
211.03987	23.4
212.04568	2.0
213.01883	5.2
213.05469	8.6
214.02617	8.8
215.03497	58.9
216.03810	4.7
217.01375	12.8
218.02100	2.4
219.02913	3.1
219.06569	3.0
227.03471	4.8
229.01270	5.0
229.05066	17.2
231.02940	4.9
231.06371	3.1
233.04536	35.2
239.03511	9.9
247.06110	4.6
255.02907	4.3
257.04532	26.9
258.01749	3.2
259.02402	2.5
273.03937	2.9
275.05582	9.1
283.02527	4.1
301.03516	100.0
302.03809	8.3
319.04727	31.2
320.08899	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	317.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38446	0.6
57.03437	3.5
58.00587	0.9
59.01377	16.4
63.49261	0.7
71.01376	3.8
71.05010	2.4
72.99317	1.3
78.32000	0.7
85.02961	3.8
85.06590	2.2
89.02435	9.9
91.04005	33.5
98.19891	2.4
109.06536	0.7
111.04537	0.7
111.08149	1.5
120.22958	0.7
125.09702	3.4
137.51172	0.7
153.12828	0.9
157.08705	11.2
159.37611	0.7
163.11340	1.0
171.08548	0.8
181.12335	41.6
182.12633	2.1
197.11845	2.1
199.13388	100.0
200.13731	4.4
222.98953	0.7
225.11305	22.4
226.11598	0.8
243.12338	2.5
285.57999	0.6
299.15018	1.0
317.12045	1.3
317.16016	17.4
317.19717	5.1
318.16446	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
55.04875	1.2
57.03446	1.4
58.00582	2.9
59.01377	72.1
60.47075	1.4
69.66906	8.4
71.01380	44.6
72.99283	3.9
73.02947	2.9
80.05050	3.4
82.03005	1.9
83.01374	2.5
85.02946	9.1
87.00874	3.0
89.01871	2.0
89.02439	41.5
95.01368	3.2
98.95570	1.4
101.02445	28.0
112.04042	4.0
112.07684	17.3
113.02443	19.5
114.05615	2.7
115.92071	1.8
116.92880	4.2
119.03503	15.4
124.04043	11.9
125.02408	3.2
126.05630	2.0
131.03497	2.2
137.02380	1.8
138.05589	18.5
140.01146	2.9
142.05104	10.5
143.03485	2.8
154.05055	1.9
155.03447	2.7
156.03784	3.4
156.06638	21.0
161.04576	3.1
179.05620	2.8
202.61787	1.3
247.66713	1.5
247.69344	1.4
318.03217	2.6
318.11920	100.0
319.12247	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	317.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55667	0.6
59.01378	100.0
59.70291	0.7
71.01378	78.6
85.02985	1.2
85.06580	9.7
87.04536	1.0
92.60815	0.7
98.19868	1.6
99.08187	1.7
101.02460	0.7
113.02458	2.3
118.99900	0.7
125.02461	2.6
131.07138	39.1
132.07471	1.5
185.08176	12.7
185.09642	0.8
185.11858	0.8
186.08563	1.0
192.14066	0.7
255.11438	1.3
258.59525	0.7
273.09647	0.7
273.12427	4.1
274.10895	1.0
275.11404	6.7
299.06070	0.9
299.10257	1.8
317.06781	1.2
317.11435	1.9
317.19888	2.8
339.80389	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.0
57.03428	1.7
59.01375	26.6
61.93683	1.0
63.02382	1.4
63.39009	0.8
64.21348	0.8
65.00314	1.8
69.03437	0.9
69.67572	3.3
69.67978	1.9
71.01359	2.6
71.05029	3.1
75.00857	1.1
83.05009	2.0
91.04022	2.3
91.76586	1.1
95.01449	1.0
97.02947	4.6
97.06590	3.1
99.00875	46.2
100.01208	1.9
101.06103	1.3
107.01374	2.8
109.02952	3.0
109.06565	2.5
113.02404	1.3
117.80463	0.8
120.99395	1.1
123.08172	2.0
125.09720	12.7
126.28773	0.9
136.01744	0.9
137.02431	7.3
137.09705	1.0
139.11310	2.5
151.00339	6.7
155.14420	1.7
162.82220	0.9
163.11273	14.5
178.99875	2.9
181.10823	2.0
181.12332	22.8
182.12645	1.3
183.10220	2.1
185.11833	4.2
190.48778	1.0
193.01221	1.2
197.11873	1.4
199.09665	1.6
199.13394	27.8
207.10246	41.1
208.10474	2.2
225.11296	96.4
226.11734	5.7
227.12881	2.0
243.12352	78.2
244.12726	3.7
245.08141	1.2
258.09238	2.8
273.07642	1.1
299.14966	2.4
317.03021	14.1
317.06650	4.6
317.16043	100.0
317.19623	9.0
318.07056	1.2
318.16547	7.0
318.19940	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06233	1.3
55.01894	1.8
57.03442	2.3
59.01375	12.1
66.35445	1.1
71.01379	5.0
71.05019	5.9
71.53203	1.2
73.02911	1.3
75.00883	1.0
75.59658	1.4
82.24175	1.1
83.05015	1.8
84.02132	2.5
85.63129	1.1
89.02432	5.1
91.03998	9.2
97.02944	5.1
97.06572	3.5
99.00871	30.4
100.01147	1.1
109.06546	1.8
113.02460	1.1
123.08147	1.3
125.09724	10.6
127.67063	1.1
130.06625	1.4
135.08154	1.4
137.02428	1.4
153.12848	2.5
155.14412	1.9
163.11273	19.0
181.12328	67.0
182.12631	4.0
197.11752	1.6
199.11494	1.9
199.13376	38.2
200.13750	1.5
207.10251	45.4
208.10648	3.3
209.11783	2.5
225.11314	100.0
226.11612	5.2
240.05391	1.3
241.09779	1.3
243.12363	90.6
244.12703	4.8
255.11383	2.9
258.09207	3.6
273.12445	4.6
281.90881	1.2
305.04480	1.3
317.16031	92.8
317.19305	4.4
318.16245	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	316.0822
Annotation	6'-Hydroxy-3'-ketostauranthine
Peak:m/z	Relative Intensity
50.72018	0.7
51.34213	0.6
60.06841	0.7
61.98824	1.2
64.84816	0.7
70.36200	0.7
71.52778	0.9
72.66813	0.9
91.05527	1.7
93.03452	0.7
103.46465	0.7
108.02184	1.0
109.02948	14.5
121.02952	2.7
135.04512	13.5
137.02419	1.2
147.04597	0.9
149.02412	3.5
151.02782	1.0
153.00655	0.8
159.04495	1.0
168.02988	2.3
178.01401	3.1
179.02251	7.3
192.03030	3.5
194.04558	6.9
200.03098	0.7
204.03075	0.7
209.33725	0.7
211.03854	1.1
225.05499	1.2
227.07150	0.7
231.05231	0.8
239.07217	0.9
240.04286	0.8
253.05017	1.7
254.05875	11.1
255.06497	1.4
256.03589	0.9
256.06097	0.8
257.06952	1.2
258.03900	0.8
266.04568	2.1
267.05237	1.3
269.03159	1.0
269.08142	4.1
271.06104	1.8
283.04907	1.8
284.05585	4.6
286.03601	3.1
301.05920	1.9
316.08231	100.0
317.08655	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	317.0663
Annotation	Lecanoric acid
Peak:m/z	Relative Intensity
51.49150	0.7
56.70822	0.7
57.03447	13.0
59.01368	1.9
63.02391	3.1
65.00324	7.8
69.63351	0.9
70.79873	1.9
71.01359	0.9
81.03466	1.3
83.01379	10.7
95.01382	7.2
99.00888	3.6
107.01375	5.1
109.02952	1.7
111.00875	2.4
122.03703	2.2
123.00865	3.9
124.01668	14.8
125.02440	100.0
125.09697	1.2
126.02753	2.9
137.02454	1.1
139.00352	1.3
146.03691	1.1
148.01663	1.2
149.02455	4.3
150.03194	1.8
151.00365	14.0
152.01151	26.0
153.01913	1.9
153.05511	0.9
159.04517	0.9
163.03976	1.2
163.11234	1.4
178.99855	11.5
181.12405	1.9
186.06796	0.8
187.03970	2.3
188.04732	1.4
192.04268	7.5
199.13405	5.4
207.06593	8.3
207.10234	2.7
214.06287	2.1
215.03404	1.5
216.04199	2.9
225.11324	7.3
229.08585	1.7
230.05801	3.3
231.06534	8.1
241.04672	1.1
243.12363	6.4
245.08214	1.3
249.07698	1.8
258.05319	4.9
273.07617	11.5
274.04883	5.3
274.07791	1.2
284.03217	1.7
289.07153	69.2
290.07498	4.9
299.05466	1.8
308.26031	0.7
317.06619	69.8
317.15991	10.6
317.19653	2.9
318.07050	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	317.114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22641	0.6
59.01376	14.6
63.79064	0.7
64.57664	0.6
66.11743	0.6
70.21066	2.6
71.01379	10.1
85.06605	1.5
87.04543	0.7
99.22867	0.8
104.05040	1.4
108.02232	0.9
118.02971	1.1
120.04550	0.9
122.06110	6.7
123.04464	0.9
124.01665	0.8
124.07681	4.9
125.02422	1.1
131.07121	4.9
132.04521	0.7
136.07668	10.9
150.05595	2.1
155.10759	1.2
164.03506	2.6
185.08298	1.1
196.07643	2.1
198.04297	1.4
200.10760	1.0
212.10849	1.2
225.06680	2.7
226.07388	1.7
227.08257	8.1
227.11836	1.5
228.08577	0.8
237.10204	1.0
239.08299	4.7
240.08995	5.0
243.11292	5.7
255.11369	28.0
256.11670	2.3
258.09058	0.8
263.65186	0.8
272.07175	0.9
273.12424	100.0
274.12903	6.3
275.11490	0.9
287.09235	1.8
299.10382	2.7
317.11404	13.3
317.15421	1.0
317.19507	3.6
318.11868	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81871	1.5
59.01374	3.2
62.65045	1.4
65.70188	1.2
68.69297	1.4
69.94810	6.1
71.01382	2.9
73.04057	9.1
74.02499	1.4
82.02970	11.7
83.01382	5.5
84.00904	8.6
84.19624	1.5
85.02948	1.6
86.06094	1.9
94.02984	3.5
96.04556	24.5
98.02465	11.1
99.00886	1.8
99.04488	1.4
100.04060	3.8
101.02490	1.6
103.35558	1.5
109.02926	1.5
110.02464	1.4
112.04042	14.6
114.05619	1.8
114.09266	2.5
122.02482	6.1
123.04418	1.5
125.98151	1.4
128.07146	1.7
130.08736	91.4
131.09097	2.3
139.05127	2.7
140.03548	4.4
140.07162	4.7
141.10339	3.2
143.11899	75.2
143.13049	3.5
144.12218	1.7
153.01976	1.5
153.05551	8.1
155.04669	2.3
156.03026	8.4
158.30251	1.6
166.01456	22.4
169.09894	2.7
178.03851	2.5
179.11926	2.5
184.02489	9.4
187.10857	8.9
199.14659	2.0
209.12949	27.6
225.12466	6.1
229.92676	1.3
235.10771	1.3
253.11942	46.2
254.12393	2.3
269.11407	44.4
270.11929	2.0
271.13098	9.4
297.10898	35.6
298.11249	2.9
310.79471	1.6
315.11966	100.0
316.08154	3.5
316.12250	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	315.0872
Annotation	4,2',6'-Trihydroxy-3,4'-dimethoxychalcone
Peak:m/z	Relative Intensity
50.98499	0.5
56.06725	0.5
59.01380	1.6
63.02382	1.3
65.00315	0.6
68.83512	0.6
69.43147	3.9
83.05019	1.4
90.83679	0.6
95.01418	0.7
97.02966	0.6
108.02152	1.6
123.04506	1.8
124.01656	58.3
125.02001	2.0
125.09659	0.7
129.84108	0.6
139.04005	100.0
140.04337	3.0
149.06058	1.2
151.04016	2.0
165.01985	1.4
179.03474	1.0
187.09808	1.0
191.03516	0.8
211.04071	0.8
282.05569	0.8
300.02777	1.6
315.05121	1.6
315.08679	18.7
315.19470	2.5
316.09097	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.072
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01373	1.1
63.05946	0.5
65.03958	5.2
67.01886	2.8
67.02223	0.5
71.01374	2.6
71.51834	0.6
73.02946	0.6
76.09944	0.4
85.02961	1.0
91.01831	0.5
92.67544	0.5
92.68165	0.5
94.14637	0.4
101.02428	1.3
109.02945	100.0
110.03286	3.2
113.02414	1.3
122.06025	0.5
126.21355	0.5
130.08748	0.6
135.00862	4.1
137.02440	0.6
153.01921	66.5
154.02220	2.4
161.04536	1.3
171.36119	0.5
315.07208	29.5
316.07578	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0509
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
59.01295	0.7
59.01544	0.3
61.98733	0.6
65.00236	0.6
65.03846	1.1
70.38862	1.2
72.25356	0.3
107.01244	0.7
109.02798	13.8
109.03599	1.2
110.03178	0.7
121.06447	0.6
124.01541	0.6
125.02300	0.4
148.01622	1.9
149.02322	0.3
151.00392	2.1
175.04030	0.3
183.13786	0.4
185.02118	0.3
187.03926	0.4
188.04782	0.8
190.02493	0.4
199.03909	0.4
214.30641	0.3
215.03310	1.4
216.04150	0.6
227.03465	0.8
227.10696	0.5
227.17964	0.4
243.02937	1.3
244.03664	0.4
255.03082	0.4
256.03860	0.8
271.02460	1.9
271.09772	0.8
272.03259	21.0
273.03552	1.4
274.48148	0.3
299.02127	0.6
300.02734	100.0
301.03067	7.0
315.05109	69.7
315.08502	4.1
316.05411	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	314.1607
Annotation	Indicine N-oxide
Peak:m/z	Relative Intensity
54.16700	0.8
55.50041	0.7
55.78894	0.7
58.02968	8.8
59.01371	3.5
69.56352	4.9
70.02977	1.2
71.01373	21.7
88.04034	86.5
89.04369	1.1
96.99310	2.0
98.19978	1.4
115.00361	20.7
132.02998	6.1
140.10802	7.8
147.19615	0.9
180.13898	0.8
198.14981	6.0
199.13374	15.3
199.15150	1.5
200.13713	1.1
222.52824	0.9
224.13075	0.9
225.11266	1.1
252.16246	1.1
255.03134	0.9
256.03275	1.1
270.17099	16.7
271.17358	1.2
272.03268	1.1
284.02985	1.7
296.14966	2.4
299.05057	1.6
300.02670	2.4
307.56430	0.8
314.07800	2.3
314.16061	100.0
315.04950	4.1
315.16302	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	314.1608
Annotation	Indicine N-oxide
Peak:m/z	Relative Intensity
52.59625	0.8
56.06179	0.6
57.01990	0.7
57.03433	1.6
58.02969	0.8
59.01357	1.3
60.99301	1.5
68.80423	0.8
69.38244	3.0
69.38670	3.1
71.01381	3.5
72.00893	2.2
72.04538	2.8
74.02471	87.6
82.68653	0.7
83.05010	1.4
84.04552	2.2
85.06612	1.3
86.02467	1.8
87.85034	0.7
88.04037	14.7
97.06565	1.3
98.19902	1.5
103.50118	0.8
104.03538	17.7
111.08154	2.0
115.00369	3.5
124.91311	0.7
132.03024	1.5
143.07445	0.8
165.12840	7.7
180.13948	2.3
181.15991	2.7
183.13872	1.1
194.15523	1.4
196.16966	1.0
199.13446	1.5
208.17068	55.7
209.11908	0.8
209.17393	2.6
222.14970	16.4
227.12892	3.2
234.14958	2.3
240.16063	6.0
252.16031	16.4
266.13959	7.5
270.17154	2.8
271.06171	1.1
278.13837	1.3
284.15033	14.4
285.15549	0.9
296.14990	6.5
314.16083	100.0
315.05377	0.8
315.16376	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	315.0508
Annotation	Tamarixetin
Peak:m/z	Relative Intensity
57.03435	1.6
59.01367	3.0
63.02396	4.5
65.00327	5.2
65.00620	0.9
65.03951	1.5
67.01885	0.7
69.66792	2.9
69.67200	1.5
71.01379	4.2
73.02940	1.7
83.01394	5.1
85.02951	2.6
89.02442	1.0
95.01395	1.7
99.00881	0.8
101.02432	2.1
107.01391	8.0
108.02187	1.3
109.02949	20.9
113.02417	2.0
123.00883	1.6
123.04491	0.7
124.01668	6.6
125.02454	4.7
132.02158	0.7
135.00883	1.3
137.02466	1.0
139.04012	5.7
143.90102	0.7
148.01662	11.4
149.06117	0.7
151.00354	13.5
152.01070	1.0
158.03685	1.9
159.04274	0.6
161.02484	1.5
161.04498	1.2
163.00342	9.1
164.01091	0.8
173.06027	2.0
183.04581	1.0
184.05295	0.9
186.03162	1.7
192.00699	0.9
199.03996	1.1
200.04736	2.2
201.05534	2.7
204.04295	1.1
210.02902	0.9
212.04846	1.2
215.07152	2.3
217.04985	0.9
227.03473	2.2
228.04236	5.9
232.03918	0.7
238.02654	0.8
243.02901	1.0
243.06726	3.1
255.02992	2.5
256.03812	2.4
257.04248	1.4
259.06168	1.4
261.47034	0.7
271.02551	7.8
272.03107	3.0
282.01785	1.2
283.02505	2.1
284.03299	1.1
285.03806	1.0
287.05460	0.6
300.02710	6.0
300.05664	1.4
315.05096	100.0
315.08447	6.1
316.05347	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	313.2385
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
50.41659	0.6
59.01379	100.0
60.01710	1.7
60.40107	0.6
61.98824	1.5
71.42460	0.9
84.53651	0.5
85.65198	0.5
89.79539	0.4
96.36238	0.5
127.03958	0.4
194.66580	0.4
225.22235	1.2
253.09213	0.6
253.21692	5.9
271.22769	44.1
272.23135	3.3
295.22540	0.5
298.04993	0.5
313.07077	0.6
313.23846	18.7
314.24005	1.4
314.27063	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2384
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
52.40123	0.6
52.85757	0.5
59.01378	100.0
60.01714	0.9
61.98846	1.3
64.14873	0.5
71.52699	0.5
85.02962	0.7
87.92976	0.6
99.95730	0.6
112.53746	0.6
179.40802	0.6
223.02982	0.8
253.09160	1.0
253.21739	5.9
254.22096	0.7
271.22781	44.7
272.23068	3.9
300.94641	0.5
313.06931	0.5
313.17032	1.1
313.23822	17.8
314.24176	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	314.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07037	0.8
59.01378	2.0
61.01823	0.9
61.98829	100.0
70.01516	0.7
70.38030	2.8
75.38671	0.8
96.96060	1.3
97.26405	0.7
106.56967	0.8
108.02135	1.7
109.02959	5.7
135.00899	1.0
136.04118	0.9
146.74654	0.8
153.01944	5.0
153.05559	1.0
182.67386	0.9
226.03882	1.8
315.07220	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	313.2383
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
58.00598	2.1
59.01377	5.7
60.63278	1.3
61.13205	1.2
61.98819	3.9
71.01379	1.7
71.53714	1.5
75.00852	1.4
83.05031	2.3
99.08167	13.1
102.62289	1.3
121.03000	2.0
127.07645	2.5
129.09218	20.5
151.58846	1.2
161.04572	1.2
171.64777	1.3
183.13895	36.6
184.14166	1.3
195.13896	1.9
225.72105	1.2
253.09363	3.4
277.21896	2.2
295.22403	10.5
313.07425	2.7
313.23819	100.0
314.24149	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	313.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.7
71.01380	1.8
71.05022	0.8
71.32188	0.5
71.53013	0.5
71.53422	0.6
73.02936	1.3
74.28317	0.6
75.00872	0.6
75.99726	0.5
85.02950	1.2
86.03766	0.5
93.03456	1.2
95.54786	0.5
101.02479	0.7
112.01684	1.0
116.97348	0.5
129.02023	0.6
130.02718	7.2
132.02159	0.7
137.04471	0.5
141.03410	1.1
143.05040	2.0
155.05057	2.5
160.98796	1.6
161.99542	2.0
167.04984	1.5
167.14423	2.2
171.04500	0.9
173.02650	0.5
173.05992	0.9
183.04475	3.4
183.13942	1.5
195.04507	1.0
195.13869	7.5
198.03185	0.7
199.03969	4.1
201.01897	0.7
211.03972	6.5
211.13382	0.7
213.14891	0.9
225.18542	0.6
227.03476	14.6
228.03764	1.1
233.15424	0.6
235.13232	0.5
237.01947	1.9
239.03471	9.5
240.03941	0.6
241.17902	0.6
243.02809	0.6
251.16502	6.9
253.09230	1.5
254.02206	0.8
254.05855	1.7
255.02942	20.6
256.03354	1.3
269.04581	1.8
269.17551	48.2
270.01715	0.7
270.17932	3.3
271.02295	0.7
282.01773	1.9
283.02460	38.7
284.02789	2.6
295.15469	2.5
297.03970	3.9
298.04791	100.0
299.01962	0.8
299.05081	9.0
313.03543	8.8
313.07101	65.4
313.16553	19.3
314.03912	1.0
314.07376	7.4
314.17026	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18977	0.8
53.90821	0.7
59.01383	6.6
61.84935	0.8
71.01378	1.6
71.44456	1.0
83.05029	1.0
85.02946	0.9
89.02447	1.7
91.03996	2.1
97.06589	1.2
101.02420	1.0
121.02948	11.3
144.05290	0.8
152.69664	0.7
159.11786	1.7
167.05087	0.9
177.12834	26.4
178.13190	1.6
195.13881	100.0
196.14256	6.4
203.10780	2.5
211.03926	1.3
221.11787	11.2
225.05458	1.0
227.03462	2.2
239.12848	24.8
240.13315	1.2
253.09244	2.3
255.02974	19.2
256.03354	1.7
283.02417	11.3
284.02832	1.5
288.56476	0.8
298.04782	21.1
299.05066	1.3
308.21924	0.8
313.03555	1.9
313.07092	22.6
313.16547	46.6
314.07471	1.7
314.16943	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	313.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92971	0.8
57.03445	1.6
58.00575	1.0
59.01374	7.3
62.55878	0.9
71.01375	13.5
71.51018	1.2
73.02956	1.0
75.00854	1.5
85.02974	1.4
87.00875	7.9
87.04502	1.6
89.02442	6.3
94.04092	1.1
94.80587	0.8
101.02426	1.7
103.00352	1.1
106.04061	1.2
108.02103	4.3
109.02947	1.9
113.02445	1.2
118.09508	0.9
119.03487	0.9
120.24902	0.9
122.03585	5.5
124.05225	1.3
133.05061	100.0
134.05397	3.1
150.01830	4.1
150.03075	3.0
151.02609	17.2
151.03853	1.7
151.05913	0.8
165.04149	3.2
179.05513	1.5
193.03624	3.1
223.06042	1.7
253.09210	1.8
313.07877	29.9
313.11487	2.0
314.08224	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0928
Annotation	Pungenin
Peak:m/z	Relative Intensity
55.01862	0.7
57.03441	1.4
59.01377	9.1
69.66375	4.6
71.01382	11.3
71.26964	0.7
73.02943	2.9
75.00869	4.5
75.39114	0.8
83.01372	1.5
85.02940	8.6
87.00875	1.9
89.02432	2.2
93.03457	32.7
94.03794	1.0
95.05001	1.0
99.00874	1.3
101.02446	4.8
107.05023	12.3
108.02158	3.5
109.02937	2.1
113.02420	2.8
119.05018	1.8
121.02953	3.5
123.04514	7.2
129.01895	2.3
133.02957	1.6
135.04507	5.0
137.02449	0.9
147.02959	1.0
149.02428	10.7
150.03120	1.9
151.03998	52.1
152.04300	2.5
161.04549	1.8
182.70361	0.7
191.01929	0.8
250.23767	0.8
254.32582	0.7
304.77475	0.7
313.09262	100.0
314.09656	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	313.0928
Annotation	Phyllanthurinolactone
Peak:m/z	Relative Intensity
53.77031	1.5
55.01868	2.5
57.03441	4.9
59.01374	10.9
69.67131	8.7
71.01379	47.7
71.01774	2.5
72.99326	1.5
73.02953	13.6
76.39182	1.4
83.01397	5.3
83.97555	1.3
85.02947	50.8
86.03262	2.1
87.00889	2.6
89.02380	1.4
90.59605	1.4
93.03447	5.4
95.01367	5.0
99.00865	7.7
101.02434	21.9
106.04263	7.9
107.05024	100.0
108.02179	5.1
108.05371	3.3
109.02948	7.8
113.02451	17.4
121.02950	5.2
121.25642	1.3
129.01913	4.1
140.31242	1.6
140.55197	1.5
147.02960	2.6
151.04002	80.0
152.04367	1.8
159.02956	3.8
161.04593	13.2
191.01933	6.5
253.09195	1.8
271.98874	1.5
298.16434	1.6
313.09360	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	313.0717
Annotation	3,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
51.88488	0.6
57.94109	0.5
69.27151	4.4
80.00647	0.5
82.42774	0.4
83.17280	0.5
98.20670	0.9
102.86536	0.5
121.02858	0.6
133.02931	3.3
143.04829	0.4
147.00815	0.8
167.04941	0.6
171.04526	2.7
182.03575	0.7
183.04494	5.1
197.02374	0.6
199.04005	5.6
201.57419	0.7
211.03998	9.3
212.04378	0.8
226.02658	2.0
227.03494	18.9
228.03853	1.5
237.01915	0.6
238.02583	0.8
239.03445	2.3
254.02119	0.9
255.02977	44.5
256.03348	2.7
266.02139	1.0
282.01627	0.7
283.02454	84.0
284.02808	6.3
298.04800	100.0
299.05057	7.3
313.07153	53.0
314.07498	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85364	1.2
57.03431	1.3
59.01371	14.7
71.01382	13.6
71.52827	1.6
72.99300	1.0
73.02936	2.3
74.27074	1.1
82.04137	1.1
84.72786	1.0
85.02934	5.0
87.00888	6.3
89.02441	6.7
93.03462	1.6
94.04099	2.5
95.01400	1.1
96.95985	3.5
99.00900	1.0
101.02438	6.6
106.04086	4.3
107.05019	2.3
108.02134	13.1
109.02953	7.2
113.02424	3.6
119.03474	2.3
119.05023	1.7
122.02770	1.8
122.03603	18.8
124.05160	2.5
133.05064	48.2
134.03522	1.3
150.01807	19.4
150.03062	10.8
151.02614	71.0
151.03889	4.7
151.06052	1.6
152.02962	1.2
152.91734	1.1
156.89447	1.7
161.00891	2.1
161.04579	2.1
165.04198	13.0
165.05525	1.7
168.04146	1.6
179.05632	2.3
193.03653	12.7
223.06067	3.7
252.98700	1.2
253.09340	5.4
276.40683	1.1
313.07861	100.0
314.08246	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	313.0717
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
59.01382	1.3
61.98827	1.7
65.00326	0.6
70.67588	1.4
71.01395	0.5
81.39647	0.5
82.91538	0.5
83.01414	0.6
85.02929	0.8
85.28317	0.5
91.55054	0.4
107.01380	0.8
108.02159	1.1
121.02954	100.0
122.03268	2.5
122.85616	0.5
151.00386	1.7
161.02484	0.6
180.05775	0.7
181.06586	3.9
211.04034	4.8
212.04344	0.6
225.05536	6.1
226.06291	1.6
227.03491	1.8
229.05008	0.5
239.03506	0.9
241.62601	0.5
253.09343	0.7
255.02974	31.0
256.03317	1.6
267.03030	2.5
269.04510	1.4
269.07928	0.7
270.05359	1.0
282.01813	1.0
283.02469	21.3
284.02814	1.3
297.04050	4.7
298.04803	32.2
299.05176	2.0
313.07159	88.9
313.23535	1.9
314.07498	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	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96739	0.5
55.52392	0.5
57.03440	1.4
59.01379	5.0
70.03711	1.3
70.04073	1.3
71.11272	0.5
83.05023	1.2
90.04128	0.6
97.06583	0.7
99.08154	3.4
111.08162	0.9
113.09750	4.0
122.76463	0.5
123.08166	0.8
123.97016	0.8
127.07652	0.7
129.09222	6.6
139.11295	0.9
151.11298	1.2
169.12347	3.6
171.10257	1.6
181.12326	6.6
183.13899	2.6
193.12248	3.1
195.13800	0.8
197.11816	10.4
199.13379	5.3
211.13397	20.2
211.15430	1.1
211.57458	0.6
212.13789	1.2
231.21320	0.7
249.22025	0.7
265.21808	1.1
275.20276	0.8
293.21182	15.3
294.21515	0.9
311.22260	100.0
312.22604	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	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24070	0.7
57.03445	1.5
58.00591	3.7
59.01378	5.4
69.03399	0.7
79.29043	0.6
109.06583	1.1
121.10237	1.5
125.09758	5.1
125.10582	1.0
127.07667	1.4
127.11298	9.4
137.09735	1.8
139.11279	1.4
143.10780	1.3
155.10788	4.3
157.12340	1.3
165.09201	3.2
169.86951	0.7
171.10265	10.3
183.10307	1.2
183.13933	3.5
199.09688	2.8
201.11316	70.9
202.11642	2.6
211.13345	1.2
212.13655	0.8
213.14917	1.3
241.14447	1.3
251.11288	0.9
275.20154	5.8
293.21191	6.0
311.22263	100.0
312.22626	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	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.4
59.01375	24.5
61.98833	1.4
70.62531	2.2
71.01373	1.5
71.14334	1.0
75.21330	0.8
89.04037	1.0
99.08130	4.8
99.20212	1.0
101.02397	1.7
113.09724	5.1
127.11243	1.1
129.09207	12.9
153.12796	1.4
153.14886	1.1
155.10777	1.3
161.04514	2.0
163.11224	1.5
169.12315	2.8
171.10280	2.9
181.12357	7.9
181.17741	0.9
183.13838	4.3
193.12383	2.1
197.11815	12.9
199.13377	4.1
210.19861	1.0
211.13368	23.5
213.14937	12.9
229.44467	1.0
251.11255	4.4
275.20126	2.5
293.21194	28.8
294.21484	2.8
294.99631	1.0
311.16605	2.7
311.22256	100.0
312.22656	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.7
58.00611	0.9
59.01380	2.9
69.33103	4.2
69.33510	1.2
74.48790	0.8
83.05029	0.7
97.02934	1.1
98.19946	1.2
99.08164	3.1
111.08112	0.7
113.09779	3.5
121.10258	1.1
125.09760	0.7
127.07668	0.9
129.09225	5.9
139.11282	1.7
151.11366	0.9
153.12794	0.9
167.10777	0.8
169.12363	3.2
171.10271	5.7
181.12326	3.6
183.13875	2.2
185.11781	1.0
193.12294	4.7
197.11806	11.5
199.13379	4.5
209.11810	0.8
211.13385	18.5
212.13713	1.1
265.21753	1.0
275.20114	1.6
293.21225	19.3
294.21436	1.7
311.22250	100.0
312.22623	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	311.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65097	0.6
54.56514	0.6
55.01873	0.7
57.03449	0.8
58.00581	0.6
59.01376	100.0
60.01709	0.9
61.98823	1.0
71.01384	10.1
71.52450	0.6
73.02940	3.6
75.00858	1.1
83.01394	1.5
85.02934	4.3
87.00894	1.1
89.02445	4.7
95.01382	0.9
99.00889	1.1
101.02441	10.1
105.01922	1.1
113.02456	5.6
119.03535	1.3
122.06110	1.0
130.08690	1.1
131.09111	1.0
136.07397	0.7
136.15475	0.6
149.08232	1.5
150.05637	1.2
159.03056	1.2
161.04530	7.7
163.04077	1.7
172.97598	0.9
200.41002	0.8
251.11331	20.9
271.08066	0.6
278.24496	0.8
311.13092	2.9
312.10886	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2225
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
55.12083	2.5
57.03440	17.7
59.01378	25.2
69.76955	5.9
69.77370	9.2
79.95710	2.9
98.19964	5.6
105.47137	3.0
113.09009	5.2
113.09726	55.8
139.11278	8.7
142.79233	2.6
153.61386	2.6
167.10760	11.0
179.10733	4.6
183.01180	33.7
195.13858	9.0
195.17638	3.0
197.02827	13.8
216.13127	3.5
223.13319	7.7
227.02557	2.6
249.22226	5.1
251.11322	3.5
293.21231	94.3
294.21545	8.6
305.28036	3.0
311.16846	100.0
311.22208	4.8
312.17142	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
59.01374	4.7
61.98837	0.7
66.65288	0.3
70.75461	0.8
71.01388	0.4
89.19781	0.4
93.39980	0.3
97.06561	0.5
99.08136	0.6
101.40775	0.4
113.09721	1.1
115.07660	1.2
123.97033	0.5
127.07650	0.8
128.08449	0.9
161.04552	0.4
167.14407	3.4
168.14772	0.5
183.13921	3.4
191.07967	0.4
195.12070	0.7
195.13884	11.7
196.14276	0.6
211.13380	1.1
213.14899	1.5
217.95761	0.5
227.06853	0.4
242.15157	1.5
249.52953	0.3
251.11331	0.8
265.21631	0.7
267.23306	0.4
275.20139	0.6
283.22754	0.7
293.21185	8.1
294.21616	0.4
311.22241	100.0
312.22617	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22913	0.4
57.03435	0.7
57.60515	0.4
59.01376	100.0
60.01718	1.0
70.17570	0.5
71.01385	5.4
71.29583	0.8
73.02943	2.5
75.00867	1.2
83.01383	0.6
85.02952	2.5
87.00874	0.5
95.01460	0.6
99.00854	0.8
101.02431	4.0
113.02480	1.7
117.03500	1.1
119.05040	0.6
134.03738	10.3
135.03035	0.7
135.04529	0.4
149.04546	1.2
149.06059	0.9
159.03101	0.5
161.04539	3.4
163.04153	0.5
165.04053	0.6
193.05043	11.8
194.05420	0.5
203.94875	0.4
241.95634	0.5
251.11432	0.5
269.10333	3.1
281.09189	0.7
311.10425	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.06837	0.7
60.01730	0.8
64.25512	0.6
68.93176	0.6
69.74676	3.8
71.01378	5.7
73.02966	1.9
78.41460	0.7
81.60149	0.8
83.23819	0.6
85.02950	3.1
85.26537	0.7
99.00891	1.1
101.02461	4.3
113.02472	2.3
161.04594	2.7
192.49770	0.8
269.10306	3.2
271.85257	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1136
Annotation	Spicatolide C
Peak:m/z	Relative Intensity
59.01379	6.2
60.19205	0.2
60.29594	0.2
61.46466	0.2
67.58424	0.2
69.31243	1.9
71.01378	0.7
73.02930	0.3
81.96474	0.2
82.34609	0.2
82.35883	0.2
83.01423	0.2
101.02489	0.2
106.04241	0.6
107.05025	100.0
108.05360	3.4
119.39433	0.2
141.87840	0.2
195.04689	0.3
225.11484	0.2
251.11411	0.4
297.07681	0.3
311.29501	0.2
312.10123	0.3
312.17993	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90898	0.8
55.01893	0.8
59.01379	100.0
61.42968	0.7
62.29725	0.8
65.82744	0.7
69.57300	4.1
71.01379	7.6
73.02952	2.4
83.01395	1.4
85.02956	3.3
88.65244	0.7
89.02482	1.8
97.47664	0.8
99.00894	0.9
101.02440	6.9
113.02463	3.4
118.72147	0.8
119.03542	1.0
155.01865	0.8
161.04570	10.2
161.05887	1.0
216.83376	0.7
251.11339	26.2
252.11716	1.1
271.92139	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36565	0.6
57.03435	1.5
59.01368	3.9
69.94920	2.1
71.01369	1.8
72.99294	1.8
75.00867	32.6
85.02935	2.0
87.00867	2.2
89.02420	0.6
98.20618	0.8
99.00874	2.6
101.02383	1.0
119.05020	32.8
120.05317	0.8
129.01941	8.6
135.04500	1.0
145.02937	0.7
147.02992	8.2
163.04001	44.7
164.04294	2.5
165.04027	100.0
166.04385	2.6
179.03574	0.9
210.62616	0.6
211.46115	0.6
240.12392	0.6
285.04071	0.8
311.07709	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	311.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12722	0.5
57.03445	1.6
59.01376	8.8
71.01371	4.1
72.99320	2.3
73.02943	1.4
75.00868	31.9
77.89263	0.5
85.02936	3.4
87.00868	2.4
89.02423	1.4
92.63472	0.6
93.03450	0.8
95.01369	0.6
99.00869	2.2
101.02431	1.1
113.02451	1.2
119.04155	1.1
119.05016	22.1
120.05384	0.6
129.01938	11.2
133.02975	1.5
134.03760	0.7
135.04543	2.4
137.02437	0.6
145.02968	0.6
147.02992	3.0
147.03964	0.5
149.04517	1.0
149.06047	0.8
150.01939	0.5
161.02422	4.7
163.04004	32.4
164.04282	0.9
165.04030	100.0
166.04355	1.9
177.05586	0.6
179.03442	2.3
186.57507	0.5
251.05646	1.4
251.11391	1.3
311.07602	3.8
311.11057	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92051	0.6
57.03425	1.9
59.01369	9.5
71.01376	7.6
72.91597	0.9
72.99290	2.3
73.02937	1.2
75.00869	33.0
76.36443	0.6
76.69194	0.7
83.01414	0.8
84.93296	0.7
85.02951	5.9
87.00873	2.5
89.02431	2.1
93.95444	0.6
95.01396	0.9
98.19883	2.1
99.00882	2.5
101.02418	2.1
110.34209	0.7
113.02446	2.1
117.03493	0.9
119.05022	58.1
120.05354	2.8
129.01938	8.4
134.03772	0.8
135.04503	2.0
142.01672	1.2
145.02969	0.8
147.02995	12.2
149.04605	1.4
149.06055	1.5
163.04004	84.8
164.04346	3.4
165.04034	100.0
166.04347	2.9
179.03514	1.0
221.04529	0.8
285.04105	4.8
311.07925	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	310.0931
Annotation	p-Glucosyloxymandelonitrile
Peak:m/z	Relative Intensity
55.01871	1.8
57.03418	1.8
57.29340	1.3
58.00578	1.5
59.01375	56.8
61.98818	1.5
70.93852	3.6
71.01378	32.9
72.99306	3.3
73.02946	5.4
75.00872	23.1
77.50864	1.3
83.01364	1.9
85.02956	10.2
87.00851	6.9
89.01876	1.7
89.02441	27.1
92.05045	5.1
92.23966	1.5
93.03441	2.0
95.01350	1.9
99.00902	2.0
101.02441	18.9
113.02444	10.0
116.60244	1.4
117.52653	1.6
118.03001	3.2
119.03570	8.8
119.05016	30.5
120.04553	7.5
120.05246	1.5
129.01935	3.9
131.03656	4.4
132.04532	12.0
132.57295	1.8
134.06125	2.6
135.04520	2.8
137.02345	1.6
144.04578	7.8
146.02472	48.9
146.06113	2.9
147.03247	55.7
148.04065	17.7
149.04524	6.4
160.04030	73.7
161.02415	4.9
161.04491	5.0
163.03993	49.2
165.04025	44.0
172.04027	7.1
172.24527	1.6
174.05606	9.3
179.02182	7.1
179.03612	2.3
179.05612	2.4
181.29601	1.7
186.05629	3.7
190.05063	2.0
202.05095	21.4
214.05067	8.0
232.06161	2.7
251.11429	2.0
310.09302	100.0
311.09708	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	310.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94537	5.9
57.03437	8.2
59.01376	100.0
61.98819	25.6
66.91721	6.3
71.01379	8.9
80.33425	6.5
98.20155	51.9
121.10204	15.8
122.10548	17.0
125.09748	8.9
126.10076	9.0
134.44583	5.4
153.78088	6.2
161.04559	8.5
171.10220	9.7
172.10591	10.8
183.01048	11.1
183.13896	7.6
185.11781	19.6
186.12154	20.9
198.12114	15.8
201.74858	5.6
210.12094	8.3
210.15753	6.8
248.20853	8.9
251.11366	20.5
262.56506	6.5
271.39029	6.0
276.20444	11.1
292.19952	67.4
310.15118	8.8
310.17853	12.1
310.20779	34.0
311.16922	38.3
311.22357	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
57.03450	22.9
57.21282	2.5
59.01378	22.8
60.34121	2.3
61.98822	5.5
62.48309	2.5
62.80738	2.3
69.03435	3.2
71.01385	17.5
73.02938	4.2
83.05019	8.9
95.05006	2.9
96.95985	4.3
97.02970	3.2
97.06606	6.5
111.08154	11.9
113.09731	17.3
125.09705	2.9
127.34151	2.2
145.10179	2.9
149.09744	3.1
151.07663	9.5
151.11298	35.5
152.08380	7.5
152.78470	2.5
153.12845	3.6
155.10826	2.3
163.11290	3.9
165.12846	36.7
167.10783	3.8
177.08974	2.2
179.10739	10.6
179.14380	2.6
181.12352	49.5
181.19606	2.5
191.10788	22.0
197.11798	14.0
209.11823	100.0
209.15268	16.8
210.12152	7.1
211.13397	10.0
229.09232	3.1
232.91808	2.3
241.06381	2.7
247.20706	7.6
252.10020	2.8
263.20071	5.3
265.21765	3.7
281.21097	5.3
291.19675	25.7
309.15128	14.0
309.17181	14.6
309.20718	24.3
310.21072	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	6.0
59.01387	11.7
60.79730	7.0
70.27463	13.6
70.27824	12.7
106.45415	6.2
111.08190	37.8
141.79570	5.8
167.10776	7.9
177.12813	13.9
179.10732	12.8
181.85423	5.5
189.17972	5.9
195.13963	35.1
209.11899	10.0
247.20670	9.2
248.03813	5.7
276.77682	5.9
291.19724	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15323	0.9
59.01369	2.0
69.86100	4.7
97.06552	2.2
98.19958	1.2
109.41405	1.0
113.09713	2.1
115.07599	1.7
117.72671	1.0
125.06113	1.3
125.09728	1.0
126.06861	1.0
141.09245	1.7
151.11288	1.1
165.12846	2.6
167.14430	1.6
181.12341	3.8
183.13838	1.6
193.12253	1.3
195.13820	1.6
211.13390	4.5
213.15010	1.2
221.15363	1.8
240.13739	1.7
245.09387	0.9
247.20694	4.5
263.20068	1.3
265.21594	1.1
273.18506	3.6
273.83099	1.0
281.21100	1.4
291.19650	41.1
292.19913	3.8
309.20682	100.0
310.20969	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	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15691	0.8
57.03453	1.1
57.56419	0.7
58.00579	1.0
59.01383	1.1
65.25633	0.9
69.03449	1.1
69.68394	4.6
97.02937	1.1
98.20654	1.0
109.06590	1.5
111.08154	36.3
112.08476	0.9
127.07647	1.5
151.11293	1.2
153.12827	1.5
169.12335	7.0
181.12289	1.5
183.13925	1.4
193.12312	1.3
197.11818	100.0
198.12166	5.4
199.13344	3.3
211.13396	9.1
218.23950	0.8
227.12846	3.3
263.20126	5.2
265.17801	2.0
273.18567	1.4
291.19644	21.4
292.19977	1.8
309.20673	39.1
310.21072	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
58.00603	1.0
59.01357	0.8
65.52042	0.7
67.55466	0.6
69.03460	0.8
71.01381	0.7
71.08059	1.3
73.16106	0.7
83.04984	0.7
97.06583	0.8
109.06587	1.7
111.07382	1.4
111.08150	27.4
127.07625	3.8
137.29166	0.6
151.11235	1.3
151.36665	0.7
153.12907	1.7
169.12326	5.6
179.10883	0.7
181.12325	1.7
183.13832	1.7
197.11819	100.0
198.12186	5.2
199.13371	3.1
211.13377	11.4
212.13742	0.8
215.97491	0.7
221.55305	0.7
227.12865	2.6
247.20647	0.8
263.20154	7.3
265.18094	1.2
273.18530	1.4
274.57623	0.7
291.16342	0.7
291.19641	21.6
292.19897	2.1
309.20685	40.7
310.20953	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.5
58.51234	1.0
59.01362	2.2
61.06370	0.8
67.01868	1.3
69.03446	1.0
70.03278	1.6
70.03699	2.9
71.05027	1.0
75.62132	0.8
76.26231	0.9
83.05017	1.6
93.07087	1.0
95.04989	1.0
97.06600	2.3
108.42223	0.9
111.08163	4.1
117.01926	1.0
121.10231	8.5
123.27435	0.9
125.09729	7.1
137.09735	4.6
167.14500	1.8
171.10258	6.1
177.83008	0.9
185.11813	10.5
197.11824	8.9
211.13385	57.6
212.13672	2.5
247.20561	1.2
251.16411	1.3
273.18588	1.4
291.19632	100.0
292.19974	8.3
309.20718	9.8
310.21191	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08039	1.5
50.68283	1.2
51.72409	1.2
52.30010	1.2
57.03440	1.8
58.00574	2.2
59.01363	2.3
69.03450	3.1
96.60075	1.5
97.02932	2.8
97.06565	1.7
109.06580	2.3
111.08155	32.3
125.09711	1.4
127.07644	2.9
151.04034	1.7
151.11272	1.8
152.08459	1.3
153.12810	2.2
161.79710	1.4
165.12755	1.3
169.12352	7.0
181.12309	4.1
183.13927	2.9
193.12337	2.5
195.13847	2.8
197.11821	100.0
198.12115	4.5
199.13382	3.7
209.15450	2.8
211.13368	17.8
221.15288	1.6
227.12868	2.6
263.20145	5.7
265.18069	3.8
273.18500	2.2
291.19632	33.1
292.19897	1.6
309.17224	4.0
309.20673	74.6
310.21039	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86795	1.3
55.01863	1.3
56.62326	1.2
57.03431	3.7
59.01372	5.6
61.38630	1.2
62.23830	1.2
70.84620	2.5
70.84933	1.5
71.01377	1.7
71.05038	2.0
80.02682	1.4
81.03455	2.9
83.01380	8.6
83.05038	5.3
95.05000	2.5
97.02924	2.1
97.06573	5.4
102.76222	1.4
111.08158	2.5
123.04509	2.4
123.08167	3.7
125.06064	2.2
125.09687	9.8
135.08124	2.0
139.11285	14.6
141.09171	2.7
152.08318	1.9
156.62666	1.4
163.11264	8.0
165.12842	16.1
166.13081	1.4
167.10754	5.6
181.12341	6.2
191.10727	3.4
193.15955	4.9
193.96664	1.5
209.11803	63.8
210.12186	4.2
236.14877	1.6
247.20650	14.1
248.21040	1.8
265.21500	3.1
273.18533	3.3
281.21121	1.5
291.19647	100.0
292.19962	8.6
309.15039	3.1
309.17297	2.0
309.20639	33.9
310.21036	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	309.207
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
54.83745	1.2
57.03430	3.2
57.32133	1.3
59.01374	17.1
61.98829	3.3
69.03437	2.0
69.30384	5.5
69.30807	4.7
71.01373	3.3
72.99314	1.3
73.02939	1.6
80.96506	4.6
81.87541	1.2
83.05029	2.5
96.96019	1.4
98.19847	2.1
101.02413	2.9
111.08163	2.6
117.50917	1.3
119.05005	1.5
119.45649	1.3
129.01871	1.6
145.01385	1.5
147.02977	1.4
151.03961	1.3
151.11261	1.5
153.12932	1.4
163.03969	2.2
167.14426	1.6
169.12317	4.9
175.14806	1.5
179.14293	1.3
182.73862	1.3
197.11816	48.9
198.12219	2.8
211.13387	3.7
213.15146	1.2
229.19557	4.4
240.66844	1.5
261.18546	6.0
273.18585	16.4
279.19659	1.9
291.19604	15.9
292.20340	1.6
300.38358	1.2
309.10440	3.0
309.20673	100.0
310.21121	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	309.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57762	0.4
57.03438	0.5
59.01375	100.0
60.01701	0.8
70.65255	1.0
71.01376	2.7
73.02963	0.7
80.96505	1.9
83.01432	0.6
85.02961	1.0
89.02444	0.5
94.36607	0.4
96.96002	0.5
97.06619	0.5
99.00896	0.6
101.02428	2.8
113.02402	0.4
115.00393	1.3
119.05066	1.2
133.01451	1.3
134.03764	1.6
145.02988	1.5
161.04594	1.4
163.04010	2.1
163.06128	1.2
175.02515	1.4
177.61627	0.4
181.23766	0.3
184.04543	0.4
193.05006	1.8
209.11882	1.3
249.13354	4.2
306.73090	0.4
309.10202	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.119
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
52.04845	0.6
53.38734	0.7
55.01870	1.2
57.03452	1.5
58.00588	2.6
59.01379	73.2
61.98817	3.5
69.85384	2.8
71.01380	34.9
72.99300	3.3
73.02950	2.7
75.00880	2.6
78.55269	0.8
83.01386	2.2
85.02954	7.6
87.00858	2.3
89.02443	38.3
95.01364	1.5
98.20578	1.1
99.00899	1.4
101.01796	1.6
101.02439	24.2
101.06062	2.2
103.00356	2.6
111.04504	1.1
113.02444	13.7
117.01927	3.2
118.16782	0.7
119.03504	15.9
124.44319	0.7
128.03522	1.4
129.01941	1.2
129.05588	5.4
131.03459	1.4
135.02933	1.9
141.71770	0.8
143.03491	2.0
147.06622	4.7
161.04549	1.8
179.05595	2.8
309.11884	100.0
310.12292	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.7
59.01378	100.0
60.01701	1.2
64.37160	0.5
67.10413	0.4
70.01553	1.5
70.63821	0.4
71.01391	2.6
73.02946	1.1
79.95738	0.4
80.96532	1.8
83.01431	0.7
85.02946	1.1
96.96008	13.1
96.96609	0.7
99.00865	0.7
101.02438	1.9
111.65411	0.5
113.02486	0.8
115.00356	0.5
119.05009	0.9
133.01439	0.6
134.03758	1.8
145.02986	0.6
146.03609	0.5
161.04532	1.0
163.04056	1.0
174.01669	1.2
176.04776	0.5
178.49484	0.4
179.03696	0.5
192.06763	0.6
193.05087	2.6
209.11885	1.0
219.06715	0.6
229.14490	3.3
232.03716	0.9
246.52637	0.5
247.06137	0.8
249.13390	4.6
309.06686	0.6
309.10080	12.2
309.13321	0.9
310.10599	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.119
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
53.18814	0.8
57.03420	1.1
58.00578	2.3
58.43761	0.8
59.01378	79.0
61.98827	8.0
66.67358	0.8
71.00148	1.5
71.00495	1.2
71.01379	39.1
72.99300	2.3
73.02940	1.9
75.00871	1.2
77.11926	0.7
83.01371	1.9
85.02938	8.0
87.00864	2.5
89.02441	44.8
94.69716	0.8
95.01383	3.3
99.33140	0.7
101.02437	25.9
102.02726	1.2
107.13815	0.8
113.02448	15.8
117.45856	0.7
119.03497	21.2
129.05592	3.0
131.03510	1.7
143.03482	2.0
147.06653	1.6
149.04489	1.1
161.04524	3.3
179.05568	2.5
224.25856	0.9
309.11887	100.0
310.12357	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	309.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26698	0.9
54.01542	1.1
54.81895	0.9
55.01879	1.6
57.03425	2.3
58.00595	2.0
59.01377	63.3
61.98828	15.3
71.01379	32.4
71.51356	1.3
72.99312	2.4
73.02943	37.8
75.00878	2.0
79.45921	1.1
80.60425	1.0
82.09140	1.0
83.01370	2.5
85.02957	7.0
87.00854	2.7
89.02440	31.8
95.01380	1.1
96.96003	4.4
99.00864	6.0
101.01791	1.9
101.02435	24.1
103.00336	1.6
111.00881	1.5
112.98792	2.7
113.02446	11.0
117.01935	100.0
118.02273	2.0
119.03489	14.9
129.01958	2.4
129.05534	2.3
133.05139	1.4
135.02986	2.3
143.03467	2.0
147.06645	11.6
161.04561	1.2
179.05565	2.9
189.94780	0.9
205.11896	1.0
224.24527	1.0
309.11868	95.3
310.12177	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	307.2279
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
57.00032	0.7
59.01379	5.1
61.98826	1.3
69.67058	2.7
69.67469	2.1
71.01376	7.5
85.02973	0.9
85.48343	0.7
96.96022	0.9
100.93435	0.8
101.69394	0.9
103.04002	5.1
157.05028	2.7
247.08163	2.7
265.25073	0.8
307.22769	100.0
308.23141	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	308.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53786	0.5
56.98009	0.6
58.27291	0.6
59.01379	5.4
61.98827	2.8
66.07517	0.6
67.35223	0.6
71.01371	3.4
71.53909	0.9
72.99288	0.6
83.01353	1.2
85.02943	2.0
87.57690	0.5
101.02422	0.8
113.02451	1.3
116.01755	0.6
121.06590	0.5
135.02745	100.0
136.03105	3.4
145.02948	1.0
164.20842	0.5
165.09238	5.8
179.01717	90.9
180.02054	3.9
217.64030	0.6
279.12393	0.7
308.05981	0.7
309.13455	8.5
309.33649	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	6.0
59.01377	24.9
61.98830	30.7
65.03964	22.1
70.04733	8.3
71.01380	31.2
71.05023	13.3
72.99276	1.8
80.02681	5.0
82.22366	1.4
83.05026	2.2
85.02944	1.9
89.86385	1.5
90.80592	1.6
93.03442	3.7
95.05043	1.8
97.06594	29.6
99.08116	1.8
103.04018	15.8
109.02948	8.9
109.06593	2.8
119.08660	96.6
120.08994	3.9
121.02916	2.4
121.06599	36.9
121.10215	1.9
123.08169	5.5
125.09710	46.8
135.04515	6.4
135.08183	12.1
137.09712	16.4
157.05051	11.4
163.11281	3.3
171.10193	10.0
185.11810	32.8
191.14497	2.1
207.10188	2.0
209.11800	20.0
211.13417	11.6
223.13281	3.0
232.81677	1.8
235.13377	34.4
245.19185	2.7
247.08214	10.9
254.05835	4.9
271.17188	2.9
279.19589	14.8
289.18079	100.0
290.18353	8.8
307.05597	20.9
307.10367	3.3
307.19125	35.3
308.06152	1.7
308.19333	3.0
326.89957	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	13.0
58.09709	1.6
59.01387	11.0
69.03443	4.3
70.50024	3.9
71.01382	22.3
83.05023	8.1
85.02966	2.0
93.03495	2.3
95.05030	6.2
97.02972	2.0
97.06592	26.3
101.34895	1.7
103.03992	6.5
109.06577	5.6
111.08163	14.3
121.06615	2.7
123.04522	4.6
123.08192	4.4
125.09692	5.1
130.09769	2.0
135.08185	2.4
137.09727	4.7
147.11792	2.1
149.09720	5.1
151.11288	34.3
153.09198	2.7
153.12840	5.4
155.10802	10.0
157.05016	3.9
157.84637	2.0
163.11275	5.5
165.12840	38.4
167.10765	5.8
177.12859	4.1
179.10770	10.4
181.12332	48.1
182.12660	2.5
191.10773	23.4
191.14458	8.2
195.10260	2.7
197.11778	3.9
197.23314	1.8
205.12357	3.4
209.11816	100.0
210.12082	4.1
211.13359	9.8
217.16054	2.4
226.12169	2.5
245.19086	37.4
246.19450	4.5
247.08217	3.0
261.18567	2.5
263.20142	11.8
271.16937	4.6
279.19684	6.6
289.18063	44.4
290.18524	3.1
307.19135	72.0
308.19440	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	307.1913
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03441	16.5
59.01369	12.3
69.03428	3.4
69.14477	27.7
71.01375	18.3
72.84586	2.4
83.05006	6.0
95.05035	6.3
96.75668	2.6
97.06576	21.4
103.03967	2.6
109.06585	7.8
109.32608	2.5
111.08173	14.1
121.06616	3.0
123.04532	5.6
123.08135	4.7
125.09689	7.2
125.27592	3.4
137.09692	3.8
149.09714	4.7
151.07478	2.6
151.11276	29.8
153.09184	4.2
153.12836	5.2
155.10774	16.6
163.11243	8.9
165.12833	35.0
167.10747	8.1
177.12862	4.4
178.04965	2.5
179.10767	13.2
181.12312	44.3
191.10776	22.2
191.14400	10.9
195.10255	6.0
197.11786	5.1
205.12479	3.1
209.11806	93.8
210.12236	3.6
211.13316	5.9
224.10315	3.9
245.19078	42.7
246.19319	5.0
263.20114	10.6
271.17108	4.1
274.46887	2.4
279.19720	4.7
289.18063	51.1
290.18604	3.9
307.19122	100.0
308.19461	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73063	1.1
55.01852	1.0
57.03449	7.1
59.01381	8.4
62.03438	1.1
67.01886	1.3
69.03445	3.1
69.68011	5.0
71.01376	3.9
75.49687	0.9
80.02699	2.2
81.03453	5.4
83.01383	10.3
83.05019	6.8
94.37619	1.1
95.05025	4.0
97.02956	6.5
97.06589	13.2
103.03986	1.8
106.04234	1.9
109.06596	3.0
110.03741	1.3
119.08670	1.5
121.06609	2.3
123.04533	10.6
123.08151	4.9
125.06068	1.9
125.09728	19.3
134.17914	1.1
135.08182	3.7
136.05388	1.1
137.06116	1.2
137.09727	15.3
141.12857	2.4
149.06076	4.2
149.09637	2.2
151.11322	2.5
157.05038	1.1
161.09775	1.5
162.10434	1.4
163.07677	3.6
163.11269	20.1
165.12836	5.9
167.10739	2.5
171.10272	1.9
177.12833	2.9
179.10748	3.2
181.12384	5.9
185.11803	22.1
191.10776	3.7
191.14406	21.5
197.11790	1.2
207.10249	12.0
209.11812	55.8
210.12257	3.0
211.13387	2.6
217.15982	2.3
225.11322	11.4
226.11916	2.2
243.17543	1.1
245.19084	45.1
246.19395	4.5
247.16893	1.3
261.18661	1.4
263.20181	3.8
271.16995	6.6
289.18069	100.0
290.18430	7.8
307.19131	51.1
307.21982	0.9
308.19482	5.2
329.09592	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36580	1.9
57.03441	7.0
59.01381	12.9
69.03448	4.2
71.01381	10.2
71.19633	3.4
80.02695	2.7
81.03443	4.9
83.01379	5.9
83.04992	3.5
95.05029	4.7
97.02942	5.0
97.06549	11.6
103.04012	7.7
121.06545	2.4
123.04508	9.7
123.08154	4.8
124.02919	2.3
125.09745	15.3
135.08165	4.0
135.14789	1.9
137.09766	11.1
141.12805	2.3
142.02687	3.1
149.06146	2.6
149.09737	2.2
151.11284	4.7
155.10823	3.3
163.11298	16.7
165.12836	6.1
177.12930	2.3
179.10741	4.0
181.12381	9.9
185.11819	19.3
186.16335	2.3
191.10771	5.7
191.14412	16.9
204.00659	2.1
207.10236	8.0
209.11833	46.2
225.11339	8.0
227.18044	2.7
245.19072	43.3
246.19466	5.0
263.20081	4.3
271.17105	5.0
289.18076	100.0
290.18515	6.9
307.10364	2.9
307.19144	74.2
307.49918	2.2
308.19641	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52325	1.4
56.78593	1.6
57.03439	3.5
59.01382	16.7
61.98824	2.7
69.85147	1.5
70.38832	3.5
70.39186	2.7
71.01380	28.5
71.05021	2.5
83.05025	3.6
85.02908	1.6
95.05030	4.2
97.06579	11.3
98.03804	1.8
99.04516	2.2
99.08152	2.3
103.04002	11.5
106.04286	1.5
109.06579	5.1
111.08184	4.5
113.09718	1.6
123.08135	3.8
125.02448	1.6
125.09698	3.6
127.07659	10.9
135.08125	9.7
137.09711	3.7
138.06874	2.5
149.09709	2.2
151.11282	10.5
153.09216	3.1
155.10757	3.9
157.05058	8.0
163.11288	3.0
165.12846	4.5
167.10785	2.5
169.12433	1.6
171.10252	9.4
177.12820	1.9
179.10747	2.4
181.12271	6.1
185.11786	3.1
191.10756	4.3
191.14455	3.8
191.87788	1.4
193.12323	2.6
196.60492	1.6
197.11826	1.7
209.11806	17.9
211.13332	3.1
221.15540	2.0
222.30870	1.6
222.52924	1.4
225.14909	1.6
240.49402	1.7
245.19098	22.4
247.08186	5.9
261.18481	1.8
263.20163	5.5
271.17041	4.3
279.19525	2.4
289.18066	59.0
290.18503	6.2
295.75159	1.4
307.10291	2.7
307.19131	100.0
308.19543	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51225	0.8
54.33822	0.9
59.01369	3.2
62.82203	0.8
69.03457	1.7
70.27637	2.2
70.28029	1.6
71.01382	2.3
71.05016	4.9
75.56277	0.9
81.03446	2.6
83.05009	1.8
87.64497	0.9
95.05018	1.9
98.03707	1.2
109.06584	14.6
111.04518	6.4
111.08147	1.4
112.05294	1.1
123.08206	1.3
127.07652	2.9
137.09679	1.0
143.10753	1.7
145.06589	1.9
149.06105	1.1
155.10745	1.0
160.80170	0.9
167.10808	2.2
179.10753	1.3
181.12297	1.5
191.14355	2.2
192.85995	0.8
195.13852	4.4
207.17500	1.0
233.51338	0.8
235.13441	1.7
245.19061	6.9
277.73376	1.2
287.16495	2.1
289.18076	100.0
290.18481	7.8
307.19153	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	307.1913
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
57.03437	2.8
59.01377	6.7
65.03966	8.0
69.03467	3.0
69.46082	5.3
69.46508	7.8
71.01382	4.1
71.05021	7.3
77.48997	2.0
83.05016	9.5
85.06595	2.4
93.03454	24.2
97.06562	14.8
103.04019	3.7
106.04247	3.6
107.05029	2.3
109.06545	2.3
111.08152	2.2
117.07085	21.4
119.04995	4.2
119.08659	32.6
121.06615	10.7
123.08119	2.6
125.09718	15.2
129.05376	2.1
133.06569	5.0
135.08157	100.0
136.08444	4.4
137.09663	3.1
171.10254	71.3
172.10602	3.5
185.11887	10.4
203.17397	1.9
205.15936	3.1
208.76555	2.2
209.11844	11.8
211.13329	6.1
233.15446	8.6
235.13344	10.0
245.19116	2.8
249.14955	9.4
261.18729	2.7
271.16953	5.2
279.19666	7.5
289.18082	96.4
290.18448	8.8
307.19159	41.1
308.19623	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	307.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25466	1.3
57.03447	2.1
58.00607	1.7
58.75750	1.3
59.01378	84.3
70.20508	4.6
71.01379	35.6
72.99322	2.9
73.02937	3.9
75.00822	1.2
78.22724	1.2
83.01385	3.2
83.34354	1.2
85.02956	10.0
87.00887	1.6
89.02444	18.5
96.96019	7.9
98.20689	1.3
99.00877	2.3
99.08152	19.0
101.02443	17.2
103.04016	7.0
103.06995	1.4
110.06091	1.4
113.02449	9.0
118.39230	1.3
119.03503	9.9
127.07642	4.8
129.09239	1.6
133.06924	3.5
134.07278	2.9
145.08702	58.6
146.09035	2.2
157.05061	3.3
159.28255	1.5
161.04572	3.9
187.09814	1.7
191.02016	1.5
219.06711	1.8
247.08200	1.8
247.11671	1.7
276.46484	1.6
283.59521	1.5
307.08319	4.2
307.13968	100.0
308.14243	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	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31871	0.4
59.01383	3.5
59.67207	0.4
61.98818	0.5
65.32875	0.4
68.80819	0.5
71.01379	6.2
74.99066	6.3
78.16894	0.4
91.02218	2.7
92.28230	0.5
93.00120	1.4
98.20618	0.9
103.04007	3.8
143.05316	0.6
149.00986	1.8
157.05045	2.8
159.08461	7.6
161.06390	1.1
173.88644	0.5
206.99658	1.3
209.01222	2.9
217.07193	0.5
223.02821	48.0
224.02843	4.2
247.08199	1.6
277.34106	0.4
289.07516	1.9
289.18057	0.6
290.07532	0.5
291.09088	100.0
292.09183	10.1
307.12375	3.6
307.18964	1.1
309.10233	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45480	0.8
52.10249	0.7
53.61185	0.6
55.01876	0.7
58.00579	1.7
59.01379	48.0
63.55171	0.6
68.58894	0.6
69.16518	0.7
69.56161	4.3
71.01382	24.0
72.99284	1.2
73.02941	2.1
83.01376	2.0
85.02956	4.8
86.06702	0.8
87.00852	1.2
89.02444	21.3
95.01406	1.6
99.08160	18.8
101.02448	13.1
103.04010	1.1
113.02447	7.9
119.03504	8.4
127.07617	3.3
129.09213	1.8
135.01529	0.6
140.06163	0.7
141.09274	1.0
143.03490	1.1
143.10735	0.8
145.08705	58.5
146.08986	1.6
157.05066	0.8
161.04495	1.8
179.05592	0.9
187.09802	1.1
191.47369	0.7
289.11923	0.8
307.13974	100.0
308.14322	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
57.03439	1.4
58.83333	0.6
59.01377	100.0
69.52846	1.9
69.53255	1.6
71.01379	15.9
73.02959	2.6
83.01402	1.2
85.02950	7.4
88.04048	0.5
89.02444	4.3
95.01392	0.6
96.96000	8.9
98.95596	1.9
99.00864	1.0
101.02449	7.8
103.04013	2.9
113.02435	3.7
117.03496	0.7
119.03514	1.8
125.02465	0.7
127.07700	1.0
132.03070	1.3
145.02878	2.5
145.08717	1.2
157.05096	2.2
159.03011	0.7
159.10271	1.1
161.02480	0.7
161.04544	3.5
165.01144	0.5
180.03539	1.7
189.11378	0.8
202.64635	0.6
225.91508	0.6
227.12836	1.9
241.17374	0.6
247.08223	1.6
247.11743	1.0
263.07263	1.0
265.12909	6.3
307.08762	7.6
307.13901	12.8
307.17426	0.9
308.07919	0.8
308.14395	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0855
Annotation	CHEBI:91169
Peak:m/z	Relative Intensity
59.01378	33.6
70.82855	0.6
70.83181	1.0
71.01369	1.0
79.95741	1.2
85.02944	1.1
96.96006	100.0
121.95095	0.5
123.08156	1.2
132.15067	0.6
132.76901	0.5
144.27782	0.5
146.30742	0.4
153.65752	0.6
167.10710	1.4
173.00966	0.5
174.01663	1.8
227.12877	22.5
228.13150	1.6
258.93851	0.5
264.40573	0.5
307.08548	92.9
308.08871	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	307.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94707	1.5
59.01382	17.0
61.98836	6.2
65.09962	1.6
67.94124	1.5
69.15311	17.8
71.01380	20.4
72.00893	1.9
72.04545	31.8
79.16412	1.4
81.03445	2.9
82.05634	1.5
85.02956	2.6
87.05640	12.8
88.04042	16.5
91.05540	15.0
97.04048	4.3
97.27280	1.6
99.05646	7.3
100.04044	100.0
103.04026	10.8
109.04065	2.9
114.01972	4.3
115.05131	97.5
116.05484	1.7
118.06617	3.0
123.04539	1.8
144.01892	2.7
144.03023	55.2
145.02946	8.3
147.04523	4.9
157.05069	5.5
158.06102	2.0
161.04533	2.3
163.03931	2.6
173.07144	2.8
176.07166	16.5
189.06755	1.8
190.05128	3.9
191.11926	1.8
201.10353	9.0
219.11299	4.1
220.06093	2.6
235.08479	3.4
235.10872	63.4
236.11153	3.5
245.09331	31.8
247.08165	5.0
261.08716	6.4
263.10406	15.7
289.08304	6.6
307.09250	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	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.8
71.01371	2.8
74.98663	0.2
74.99063	6.4
74.99458	0.5
75.96244	0.3
91.02200	2.7
93.00133	1.5
100.36552	0.2
103.04008	1.6
143.05319	0.3
149.00949	3.1
157.05048	1.0
159.08455	7.2
160.08739	0.4
161.06390	1.6
164.50223	0.3
179.03508	0.3
192.98129	0.7
206.99635	1.2
209.01241	2.8
209.11746	0.3
217.07239	0.6
223.02815	49.8
224.02898	4.2
241.03835	0.7
247.08234	0.9
265.24759	0.3
275.06042	0.5
289.07562	1.8
291.09079	100.0
292.09207	10.4
307.12347	3.8
308.12357	0.8
309.10101	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.01386	4.9
61.98826	1.4
63.66727	0.7
69.94142	2.8
69.94530	1.7
71.01379	5.9
73.02936	1.3
85.02952	1.1
87.02718	1.5
96.96008	1.6
101.02438	1.7
103.04010	1.8
113.02461	0.9
116.01765	0.9
131.05373	1.5
133.06927	100.0
134.07253	2.5
163.65662	0.8
177.09581	0.9
219.48244	0.7
220.10150	3.3
262.11148	10.5
263.11700	0.8
306.10019	1.2
313.65182	0.8
313.94687	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82845	1.3
57.03441	9.3
58.02951	1.8
59.01379	63.9
61.98833	11.6
68.99567	10.5
70.03001	3.6
71.01380	28.8
71.51270	2.2
72.99302	4.6
73.02970	2.6
81.02213	3.3
82.02988	13.9
83.01386	2.6
84.00898	2.5
84.04542	12.1
85.02967	3.7
87.00890	9.8
87.04524	2.6
89.02438	9.9
94.02985	2.5
96.04542	2.5
96.96059	2.8
99.24500	1.3
100.04025	3.3
101.02457	6.7
112.04050	46.6
112.82382	1.5
112.98554	16.1
113.02458	1.6
113.98926	4.4
124.04047	7.7
124.42962	1.4
125.02448	8.0
126.01965	5.2
126.02808	4.1
133.05069	100.0
139.04025	1.7
140.04416	2.0
142.99837	7.6
143.09544	1.6
154.05112	1.5
161.04613	2.1
161.51341	1.3
166.02315	1.7
173.00870	1.6
306.06747	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	305.2485
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
50.12094	1.5
61.98804	1.7
64.27114	1.4
66.97157	1.4
69.69931	1.5
71.52570	1.5
71.52943	2.0
71.56306	1.4
74.71598	1.3
75.21268	1.5
78.92549	1.2
82.42247	1.5
106.48428	1.5
266.94659	1.7
305.24841	100.0
306.25061	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	305.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
59.01385	10.6
61.98823	3.2
63.07980	1.3
69.03460	2.6
70.19807	1.3
70.81133	3.2
71.05010	5.5
79.05515	1.8
83.05021	1.5
87.59103	1.3
91.05549	8.4
95.05009	2.5
96.39588	1.2
97.06579	9.9
106.04247	13.5
107.08683	6.4
108.02172	1.6
109.06589	3.0
117.07100	22.1
119.05028	12.3
119.08562	1.4
119.91404	1.3
120.05811	1.8
121.02991	2.1
121.06611	2.3
123.04485	2.2
123.08174	3.5
125.02470	1.8
125.09718	26.6
134.03708	1.6
135.08159	72.2
136.08461	2.5
140.41338	1.2
149.06020	2.2
151.11278	1.4
153.09225	2.1
158.07436	2.0
169.00581	3.0
171.10283	4.0
185.11865	6.3
189.12889	1.6
209.11789	3.6
221.15411	1.6
231.13835	2.8
233.19011	2.4
243.17517	4.0
247.13239	1.8
249.14908	9.8
254.05855	4.3
261.14935	8.0
261.18826	1.8
269.08157	4.7
269.15503	7.3
270.55676	1.3
275.16666	1.8
277.18073	36.6
278.18341	2.3
287.16516	59.1
288.16754	4.8
305.05728	3.6
305.17557	100.0
306.17871	9.4
313.48944	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1756
Annotation	Corrin
Peak:m/z	Relative Intensity
53.13339	1.2
57.03445	2.6
59.01383	9.2
61.98819	4.9
68.45213	1.5
70.02380	1.5
70.81642	3.3
70.81982	1.5
71.01374	1.7
71.04641	2.7
71.05020	41.9
75.09231	1.3
81.03459	5.2
83.04991	1.7
87.78570	1.2
93.03433	3.1
95.05031	20.7
98.05809	1.4
105.59235	1.5
106.04257	2.8
107.05033	3.1
109.02979	1.5
109.06596	15.3
111.04509	2.7
121.06623	7.4
121.08221	1.3
121.10230	1.7
123.08188	1.8
125.06145	1.3
127.07639	2.2
135.08182	3.3
147.08205	2.8
150.06856	3.5
153.09251	1.4
161.06091	3.0
161.09688	2.5
162.06888	1.5
165.09195	14.3
168.13960	1.6
169.14265	2.0
189.12862	14.9
203.45807	1.4
205.15942	9.2
215.10826	1.8
231.13922	1.7
233.11812	8.4
243.17561	11.7
249.14951	14.6
261.18707	1.9
268.60626	1.4
269.15457	3.5
271.24698	1.4
287.16525	84.4
288.16870	8.9
305.17590	100.0
306.17941	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	305.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19260	2.5
59.01374	26.0
61.05375	2.5
63.74529	2.6
69.73478	2.9
70.02985	8.1
71.18770	5.5
72.04556	4.4
74.02467	100.0
88.44520	3.1
96.95389	3.8
96.96008	56.8
98.02467	23.7
116.03521	63.8
121.52458	2.8
124.42442	3.1
128.03528	7.4
129.60454	2.8
132.04558	37.4
144.04532	7.1
201.06668	14.1
219.07732	7.3
225.11241	11.1
261.08817	35.7
305.06979	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
57.81612	0.3
59.01377	2.3
65.99817	0.4
69.03455	0.3
71.01382	2.0
71.53043	0.4
72.99280	0.3
73.02928	0.4
82.02978	4.3
83.01379	0.3
85.02965	0.4
92.05064	0.6
94.02969	1.7
95.04973	0.3
96.04544	4.0
96.96001	0.5
97.02944	0.8
99.00874	0.4
99.04484	0.3
101.02448	1.0
105.24964	0.3
112.98848	0.3
113.02459	0.7
115.03951	0.3
116.03592	0.3
120.04570	1.1
122.03738	3.9
122.06115	1.7
136.04037	1.4
138.05606	100.0
139.05928	3.0
149.04831	0.4
150.05606	0.4
157.08681	0.4
161.04704	0.9
174.05582	0.7
178.08725	0.3
188.07152	1.1
188.24161	0.3
190.08733	1.0
202.08755	0.8
215.08296	0.5
215.12784	0.3
216.10324	0.7
217.06203	0.7
218.06923	1.7
218.11830	1.0
233.09297	4.8
244.09810	0.8
245.09413	0.5
245.14000	0.3
261.12424	10.1
262.12808	0.9
287.10379	1.8
305.07202	0.5
305.11435	17.3
305.15860	1.1
306.11731	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1504
Annotation	Antibiotic KO 7888C
Peak:m/z	Relative Intensity
50.00886	0.5
58.02796	0.5
59.01356	1.6
68.60313	0.5
70.02979	5.0
71.53227	0.8
72.32204	0.5
82.01763	0.7
87.69433	0.5
95.02499	1.9
96.00897	0.7
110.06106	3.0
114.01964	15.7
117.07102	0.7
119.07398	0.7
120.08212	0.8
125.02432	1.2
132.08185	0.7
134.09752	36.1
135.08051	0.8
135.10028	1.0
148.11235	1.1
151.08670	0.5
161.08488	1.2
165.01883	0.6
168.83701	0.5
175.09995	1.8
190.12360	100.0
191.12860	5.4
263.04999	0.6
305.14969	6.1
305.18472	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	305.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20522	0.7
58.14457	0.6
59.01379	100.0
61.98831	1.4
69.58467	4.0
71.01377	5.7
73.02956	2.3
83.01395	1.6
85.02971	2.9
89.02459	1.6
93.85503	0.7
96.96073	1.1
101.02434	5.4
105.73679	0.7
113.02488	2.3
125.02464	1.2
129.81755	0.7
141.82283	0.8
153.14687	0.7
161.04526	1.9
164.07216	1.0
173.11858	2.5
217.08681	0.8
263.14996	7.2
298.32883	0.7
305.07010	1.0
305.10693	0.9
306.13535	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0667
Annotation	(+)-Gallocatechin
Peak:m/z	Relative Intensity
52.66608	0.9
57.03446	9.4
58.02967	1.9
59.01377	10.4
69.03434	1.0
70.51122	1.9
71.01377	4.1
74.02470	6.3
81.03458	3.3
81.07101	2.4
83.01381	6.5
84.04556	1.4
85.02943	2.2
89.02438	4.7
93.03449	2.6
95.01373	3.0
95.05026	3.8
96.96002	2.9
97.02953	4.4
98.02459	2.3
101.02448	4.1
109.02947	14.1
111.04528	5.7
113.02450	2.8
113.06074	1.2
116.03513	3.8
119.03561	1.6
121.02946	3.5
123.00911	6.1
123.04534	2.0
124.01643	4.8
125.02443	100.0
126.02780	3.3
128.03552	3.7
131.03734	4.6
132.04561	5.8
133.02908	1.0
135.04520	2.1
137.02441	31.0
138.03239	1.9
138.05585	1.7
139.04018	22.1
144.04532	2.4
149.06084	1.9
151.03976	2.4
157.07693	3.5
158.06091	3.4
159.04424	1.4
160.92421	1.0
161.02454	4.3
161.04509	2.1
164.01192	5.9
165.01918	22.2
166.02588	2.1
167.02164	1.7
167.03484	23.0
168.03763	1.3
173.06027	1.4
175.03957	2.6
175.08733	2.5
176.04726	1.4
177.01959	2.5
177.05550	5.4
178.02608	1.9
179.03490	22.9
180.03972	1.2
191.07147	3.1
201.06847	1.5
203.03455	3.0
204.04222	4.0
218.05554	1.1
219.06444	15.2
221.04556	8.1
237.07536	1.6
243.06900	0.9
261.08887	17.5
263.11414	1.3
278.21051	1.1
287.05423	1.1
291.39664	1.0
296.87326	1.0
305.06662	79.2
305.11929	7.0
305.16031	3.0
306.07062	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	305.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	39.1
59.22437	0.4
66.27122	0.4
69.58218	1.6
69.58627	1.5
79.95337	0.5
79.95755	2.2
96.96005	100.0
97.06612	0.7
110.88017	0.5
138.05659	0.6
147.08144	1.7
181.12398	0.8
225.11305	25.1
226.11722	1.1
305.06973	81.2
306.07343	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	304.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32965	0.3
58.02973	38.8
59.01367	0.4
59.03302	0.3
94.32777	0.3
99.46856	0.2
100.57430	0.3
120.72398	0.3
142.47998	0.3
151.11264	0.3
168.13928	100.0
169.14288	4.8
176.47000	0.2
194.03708	0.3
212.12907	3.3
230.78003	0.3
264.17255	0.3
275.10330	0.2
304.19342	1.4
305.17239	0.3
309.27802	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0664
Annotation	(2R)-2alpha-(3,4,5-Trihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran
Peak:m/z	Relative Intensity
55.28431	0.7
57.03444	8.8
69.03463	1.1
69.79872	3.4
72.85940	0.6
81.03048	0.7
81.03438	3.4
83.01395	3.5
93.03462	3.4
95.01389	2.5
95.05031	3.7
97.02959	5.1
108.02177	0.8
109.02941	14.8
111.04504	4.7
113.06090	0.8
121.02928	2.7
123.00889	6.0
123.04511	1.5
123.21886	0.7
124.01661	4.6
125.02442	100.0
126.02780	2.0
131.04982	0.7
133.06598	0.8
135.04536	1.9
137.02434	28.9
138.03192	2.5
139.03999	22.4
144.74242	0.7
147.04506	0.8
149.02493	1.0
149.06056	2.6
151.04005	2.9
159.04518	1.6
161.02411	3.2
162.03148	0.8
164.01132	7.0
165.01907	22.4
166.02687	1.4
167.03485	21.2
168.03876	0.9
173.06117	1.1
175.03981	2.4
175.07709	0.8
176.04791	0.9
177.01898	2.7
177.05560	4.5
178.02652	1.1
179.03490	22.7
180.03970	0.8
191.07129	2.9
201.05528	1.4
203.03488	2.8
204.04170	2.7
218.05902	0.7
219.06619	18.2
221.04565	8.1
237.07768	1.6
243.06612	1.6
247.02574	0.7
261.07669	7.8
272.09073	0.7
305.06638	85.9
306.07117	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	303.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
56.59810	0.7
59.01378	100.0
60.01702	0.9
62.24006	0.6
62.64495	0.6
65.34234	0.6
69.19656	3.9
69.20080	2.1
71.01388	5.2
72.99324	0.7
73.02951	1.9
75.00885	0.8
75.07107	0.6
83.01372	1.4
85.02954	3.1
89.02452	0.9
95.01411	1.0
97.02984	0.7
98.19839	1.5
99.00885	1.1
101.02438	4.5
109.02927	1.0
112.61636	0.7
113.02454	1.6
125.02467	2.9
137.02446	3.9
144.06100	0.7
151.04105	0.9
161.04561	2.7
165.01834	1.6
172.68272	0.8
177.01952	0.9
184.73424	0.6
185.11806	1.0
187.40802	0.7
215.30527	0.8
219.86900	0.6
261.13382	9.4
262.13693	0.8
303.05438	1.4
303.14429	0.9
303.18192	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
59.01378	100.0
60.01720	1.1
69.35391	4.5
71.01379	10.5
72.99350	0.7
73.02943	10.4
75.00845	0.6
83.01382	2.8
85.02949	1.8
89.02446	5.3
97.02946	0.6
98.19824	1.2
101.02444	7.2
109.03025	0.7
113.02429	4.0
119.03529	1.2
121.18210	0.5
125.02459	1.8
131.03485	0.8
137.02420	0.7
138.17313	0.5
143.03447	0.6
163.49963	0.5
235.04726	0.6
282.12274	1.6
282.62320	0.5
303.04971	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	4.3
59.01378	75.7
64.75018	3.9
69.16072	27.9
69.16491	13.8
71.01380	34.9
72.99306	100.0
75.00873	33.1
79.05522	4.2
80.02641	4.8
82.54189	4.0
83.01370	5.6
84.02142	4.3
85.02942	8.1
87.00847	4.4
89.02435	46.5
93.03461	4.1
96.91467	3.6
97.02930	5.5
97.06585	36.1
99.00879	29.4
107.01430	9.7
107.05040	7.5
109.02917	5.6
109.06570	14.6
110.03722	5.6
111.08166	19.1
112.98805	87.9
117.01960	29.1
121.06577	8.0
123.08184	6.9
124.01677	16.5
125.02459	20.6
125.06066	15.9
135.03035	28.3
137.02415	17.6
137.06058	7.9
139.07663	37.3
139.69962	4.0
142.99870	77.7
149.06041	19.0
151.00380	37.0
151.04001	58.3
153.05573	41.1
165.01909	5.8
167.07138	40.4
173.00864	27.7
174.01677	94.9
175.02206	5.6
177.01961	7.8
179.07071	4.0
185.11887	13.5
193.05009	10.9
211.06010	7.0
234.91367	3.8
303.05032	15.5
303.08597	6.8
303.14343	18.4
303.21838	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	303.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.6
58.00588	6.2
59.01377	92.6
68.99796	3.4
69.05838	2.9
70.73095	10.7
71.01383	38.3
72.99305	57.0
75.00854	13.5
79.05530	4.9
87.00880	6.1
89.01925	6.1
89.02441	59.2
97.06579	26.0
99.00895	19.6
105.07095	5.2
107.05016	10.4
109.06568	9.4
111.08159	13.3
112.98792	15.2
115.00336	4.0
116.09111	3.7
117.01934	42.1
120.05796	4.8
121.02940	3.5
121.06590	18.2
123.04494	5.7
123.08125	6.1
124.01624	5.0
124.98857	3.6
125.02448	25.8
125.06081	10.4
127.95252	3.1
131.04962	5.3
135.02972	15.9
135.04459	4.5
135.08148	4.8
137.02414	9.9
137.06065	3.7
139.07661	19.6
142.99849	100.0
149.06067	21.5
153.05563	29.4
166.06383	5.5
167.07118	36.9
173.00894	24.4
174.01678	25.5
177.01875	4.5
179.07118	4.5
181.08672	15.3
185.11867	5.4
193.05019	5.9
197.83635	3.3
211.06052	8.3
213.07600	4.3
213.11360	6.0
225.07649	41.6
275.05728	4.9
285.04031	17.1
303.04904	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	303.051
Annotation	cis-Dihydroquercetin
Peak:m/z	Relative Intensity
57.03447	18.4
58.03748	0.6
59.01375	2.5
63.02393	1.5
65.00317	3.4
71.01412	0.7
81.03479	0.9
83.01382	7.2
85.02966	0.7
93.03457	1.4
107.01375	2.4
109.02963	3.8
111.00871	0.9
112.19920	0.6
112.98784	1.0
121.02927	2.9
122.03739	0.8
123.00950	0.7
123.04534	6.7
124.01662	2.5
125.02443	100.0
126.02771	2.8
130.08687	0.8
133.03008	0.7
135.05719	0.6
137.02434	5.0
139.04030	1.9
142.99887	0.9
143.04961	0.6
145.03003	0.7
146.03711	0.8
147.04510	1.9
149.02426	6.3
150.03232	6.7
151.00362	9.7
151.03998	11.8
152.01138	4.6
153.01930	8.6
161.02415	1.1
161.06033	0.8
165.05574	1.1
171.04538	1.9
172.05313	0.8
173.00902	0.9
173.02390	0.8
173.06010	0.9
173.69542	0.7
174.01686	3.9
174.03210	3.0
175.03998	14.6
176.04315	0.9
177.01927	19.9
178.02286	0.6
178.99843	9.1
181.01463	1.2
188.04745	2.0
189.05576	4.0
193.05023	3.0
199.03996	9.3
201.01968	2.8
213.05518	1.3
215.07010	0.7
216.04312	1.4
217.05029	9.9
231.06693	1.3
235.06024	0.7
239.91615	0.6
241.05061	7.0
242.05769	0.6
243.02946	1.7
257.04633	1.8
259.06113	5.5
275.05539	6.0
285.04022	65.5
286.04449	4.6
303.05106	10.8
303.08728	1.1
304.05551	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1658
Annotation	Viridamine
Peak:m/z	Relative Intensity
60.97497	0.6
61.98795	0.1
63.08252	0.1
71.51888	0.2
74.98745	0.1
74.99097	0.6
118.96210	0.8
132.40930	0.1
134.99396	5.1
136.97327	1.8
141.07396	0.4
143.05330	1.3
150.98894	0.3
159.08414	0.9
161.06384	5.2
162.06508	0.2
167.80978	0.2
181.54504	0.2
201.04100	0.5
203.05640	2.6
204.05887	0.1
205.03630	0.8
215.05597	0.7
215.53143	0.1
217.07188	76.6
218.07339	5.2
261.06155	0.7
283.11884	0.5
283.15167	0.2
285.13455	31.4
286.13675	2.9
301.16574	100.0
302.16772	9.8
305.92307	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	301.2019
Annotation	Koninginin G
Peak:m/z	Relative Intensity
52.34172	0.9
57.03448	17.6
59.01368	3.0
61.18011	0.9
61.98821	1.2
69.42745	5.0
69.43151	2.2
81.03446	3.3
83.01379	7.8
91.05534	1.4
93.03437	2.0
95.24921	0.8
97.06593	1.6
99.08199	0.9
109.02983	4.6
113.09677	1.1
121.02958	44.6
122.03257	1.6
123.00832	2.1
125.02449	99.3
125.09708	2.7
126.02763	2.6
133.02979	1.8
135.04529	6.3
137.02403	3.3
138.03220	1.8
147.04482	3.4
149.01288	1.7
149.02444	29.1
150.02780	1.2
161.02432	4.4
164.04726	3.2
170.90945	1.0
175.04030	1.0
176.04784	0.9
179.07112	5.6
183.13933	6.6
187.09734	2.6
191.07112	1.3
199.13408	1.1
209.11787	2.8
221.19090	31.1
222.19402	1.8
225.05563	1.3
227.12859	7.8
239.20137	3.3
253.05011	2.0
256.03760	1.7
257.21292	2.1
265.18057	20.5
266.18335	1.0
271.06140	13.8
272.06433	1.2
283.16190	1.2
283.19171	19.2
284.19485	1.6
286.03699	2.2
286.08438	9.7
301.00113	1.7
301.03641	2.3
301.07089	27.5
301.10764	24.8
301.16965	4.1
301.20139	100.0
302.07407	2.3
302.11038	2.1
302.20468	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	301.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41413	0.4
59.01370	0.6
65.56419	0.3
68.92156	0.4
70.71696	0.5
70.72034	0.9
79.18092	0.4
84.24091	0.4
90.75433	0.4
91.04002	0.9
111.08128	0.6
120.96070	0.4
149.02377	0.7
165.12842	3.5
183.13887	100.0
184.14233	4.8
209.11833	3.0
227.12862	5.3
228.13214	0.5
256.03769	0.5
271.06116	1.7
286.08429	1.8
301.11005	1.0
301.16568	13.4
301.84366	0.4
302.16815	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29345	0.3
59.01373	1.1
69.41750	2.1
71.01378	0.3
80.02678	0.2
80.26073	0.2
89.02435	0.5
89.40015	0.3
91.03985	0.9
93.81891	0.3
94.17304	0.3
111.08132	0.4
121.02969	0.6
123.00925	0.4
149.02480	0.9
149.12688	0.3
165.12830	4.3
183.13885	100.0
184.14215	5.0
209.11806	8.5
210.12106	0.3
227.12885	5.4
249.76329	0.3
283.82501	0.3
286.03674	0.6
286.08395	0.6
301.03464	1.5
301.06570	0.5
301.10916	0.6
301.16544	13.8
302.16830	0.9
317.94724	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72608	0.5
59.01377	4.2
65.00309	1.4
69.92480	2.5
71.01379	20.1
72.99280	0.8
74.90617	0.5
83.05065	0.6
87.00868	5.0
89.02447	2.5
93.03490	0.8
95.05046	0.6
98.20032	0.8
107.01388	1.8
109.02937	1.0
121.02939	2.4
122.03721	2.9
123.00919	0.8
130.40410	0.5
130.99197	0.5
137.02437	2.8
149.02440	2.1
150.03229	6.4
151.00337	4.3
165.05563	12.5
165.12819	4.5
178.99852	0.8
183.13879	8.9
184.14236	0.8
193.12338	1.2
209.11757	0.7
211.13376	100.0
212.13678	4.9
213.14893	1.8
223.13377	1.5
225.14896	0.7
227.12877	0.7
235.13361	0.7
241.14415	8.1
247.13358	0.8
253.14380	1.9
255.16025	2.8
256.03604	0.7
258.04291	2.0
265.14426	4.2
271.06274	0.8
283.15485	2.4
286.03784	1.1
286.08517	0.9
301.03464	6.8
301.06644	1.8
301.10797	3.6
301.16547	7.2
301.20264	2.9
302.00476	0.6
304.75519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40185	0.1
51.00571	0.1
57.03450	0.1
59.01383	0.8
69.33858	0.4
69.34283	0.6
70.07833	0.1
70.68487	0.1
71.01403	0.2
78.18970	0.1
89.02439	0.5
91.03539	0.1
91.04017	0.8
97.06608	0.2
98.06931	0.1
111.08143	0.4
125.02482	0.2
155.48628	0.1
165.12842	3.3
166.13185	0.1
183.13887	100.0
184.14232	5.1
184.15926	0.2
209.11792	3.2
220.64082	0.1
227.12865	5.0
228.13322	0.3
301.07162	0.3
301.16550	14.6
302.16827	1.1
312.19467	0.1
319.43069	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	301.0929
Annotation	Isotachioside
Peak:m/z	Relative Intensity
55.64496	0.4
57.03443	0.9
57.73837	0.4
59.01369	1.6
61.98816	0.6
64.23504	0.3
64.95141	0.4
65.00310	0.5
70.09633	1.8
70.28135	0.4
70.38670	0.4
71.01379	4.6
71.93062	0.4
73.02946	1.1
83.01395	2.5
85.02954	1.7
93.03452	1.5
95.01390	5.2
97.02927	0.9
98.20541	0.5
99.00892	0.8
101.02431	3.0
107.01353	0.8
107.97507	0.3
108.02193	0.8
109.02934	0.9
111.29488	0.4
113.02451	3.0
121.02973	2.6
122.03739	0.7
123.00882	100.0
124.01773	5.9
125.02447	11.6
137.02464	5.2
138.03226	67.5
139.00343	0.8
139.04033	15.2
140.04489	0.4
149.02434	2.6
149.99576	1.3
150.03209	1.1
151.00378	7.7
151.03986	2.6
159.03049	0.7
161.04552	5.4
163.04042	1.3
166.02711	2.9
166.35168	0.4
168.00659	4.1
169.01418	3.6
178.02724	1.3
181.05049	8.1
193.05083	3.6
239.35448	0.4
283.04709	0.5
301.05719	19.0
301.09369	4.9
302.06052	1.2
302.09558	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0563
Annotation	fludiazepam
Peak:m/z	Relative Intensity
56.16858	0.4
59.01376	0.5
63.62415	0.5
69.03457	2.3
69.72162	1.7
69.72590	1.0
79.01898	1.0
81.03453	1.1
81.74762	0.4
83.01389	1.6
92.44886	0.5
93.03455	0.9
95.01409	1.0
97.02975	1.6
107.01379	1.3
109.02970	1.0
118.44124	0.4
121.02962	2.2
123.00873	3.9
124.01654	14.0
125.02444	49.2
126.02762	1.1
133.02911	0.5
137.02411	1.2
139.03004	0.7
139.04041	1.3
148.01656	1.6
149.99579	27.1
151.00392	3.7
167.03494	1.3
168.00630	70.1
169.01378	8.3
174.61151	0.6
176.01122	1.8
177.01941	0.6
191.03474	1.3
245.56267	0.5
283.04581	5.8
286.04749	1.0
301.05615	100.0
301.21579	1.0
302.05927	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	301.0352
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.95173	0.2
59.01358	0.4
63.02391	0.8
65.00063	0.2
65.00320	2.0
66.63393	0.2
69.67603	1.0
69.68009	0.6
77.03948	0.3
81.03452	0.3
82.92950	0.2
83.01377	0.9
83.05002	0.7
87.54893	0.2
93.03437	0.3
97.50719	0.3
105.03436	1.0
107.01379	3.8
109.02930	0.7
121.02937	1.0
125.02458	0.3
134.05530	0.2
135.04468	0.3
147.04462	0.3
148.01671	0.3
149.02425	24.5
150.02769	0.7
151.00359	7.5
159.04469	0.5
162.05598	0.3
165.12807	0.5
167.04948	0.5
168.03728	0.2
171.04451	0.4
173.05983	0.3
177.01859	0.5
183.04533	0.8
184.56104	0.2
185.06021	0.3
187.03998	0.6
189.01880	0.3
191.03459	3.8
199.13374	0.6
201.05536	0.5
209.11803	11.4
210.12091	0.4
211.03905	0.9
213.05595	0.3
214.02750	0.4
215.03500	2.2
217.01352	0.7
227.03479	1.5
227.12872	3.2
229.01323	0.4
229.04997	0.5
230.01843	0.3
233.04530	1.0
239.03477	1.6
245.04240	0.3
254.02090	0.3
255.02946	1.8
257.04465	0.9
273.03952	0.4
283.02438	0.9
301.03485	100.0
302.03830	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	301.0563
Annotation	fludiazepam
Peak:m/z	Relative Intensity
51.57328	0.5
57.03447	6.7
57.53756	0.5
59.01370	1.4
65.00317	3.3
70.88731	1.0
70.89063	0.5
80.51627	0.5
80.85581	0.5
81.03442	2.2
83.01385	16.8
83.01893	1.0
107.01388	7.7
121.02894	1.0
123.00878	1.8
124.01681	2.6
125.02441	53.5
126.02782	1.2
131.01398	0.6
137.02440	0.9
139.03989	1.1
149.02396	0.7
149.99529	1.5
151.00360	59.0
152.00697	1.9
167.03458	0.7
168.00633	5.2
169.01413	21.6
175.00339	3.9
185.03323	0.5
193.01421	2.2
198.13466	0.5
204.13028	0.5
205.01424	1.3
211.02478	1.0
241.08231	1.1
270.50211	0.5
301.05637	100.0
302.05975	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	301.0353
Annotation	AC1L9BFA
Peak:m/z	Relative Intensity
53.20463	0.5
57.03429	0.4
57.87560	0.4
59.01376	1.5
63.02395	6.7
65.00322	12.5
66.67857	0.4
69.27134	4.1
71.01403	0.7
83.01380	7.2
93.03448	3.8
95.01367	0.8
106.06615	0.6
107.01389	21.3
108.04552	2.6
109.02971	2.7
121.02953	18.5
123.00843	0.7
124.01648	0.8
124.07693	1.0
125.02446	2.5
133.03006	0.5
135.04533	0.7
136.01628	0.4
136.07671	5.6
136.92908	0.5
139.03986	2.3
147.04500	0.5
149.02422	2.9
151.00363	61.3
152.00655	2.1
159.04475	0.8
161.02415	0.8
163.00362	1.2
163.03998	1.5
164.01135	1.5
165.01935	0.8
165.12796	1.0
169.01425	2.3
178.99857	19.7
180.00182	1.3
183.04417	0.5
183.12253	0.8
183.13884	15.5
187.04025	0.8
192.00568	0.6
193.01430	1.2
195.61992	0.4
196.47394	0.4
201.05487	1.1
203.03487	0.6
209.11699	0.9
211.03877	0.6
211.13387	1.7
227.03517	1.6
227.12788	1.3
229.05069	2.1
243.03030	0.9
245.04495	1.8
255.02997	2.7
257.04556	1.7
257.12943	12.4
258.13300	0.6
273.04034	3.5
283.02444	1.1
286.03809	1.4
299.02039	0.7
301.03494	100.0
301.16595	2.3
301.20322	4.3
302.03830	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	299.0771
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
59.01361	1.4
61.98855	0.3
66.13836	0.4
70.79501	0.7
71.01389	0.6
85.02962	0.7
93.03452	85.2
94.03798	1.9
95.01408	0.4
116.62164	0.3
131.08829	0.4
137.02437	100.0
138.02757	3.3
155.89746	0.3
179.03474	0.8
221.85506	0.3
223.76491	0.4
284.03210	3.4
299.05252	2.1
300.05835	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.077
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
57.90280	0.3
59.01371	4.0
65.03948	0.5
69.10063	0.4
70.50980	0.7
70.51305	0.5
71.01373	4.2
73.02930	0.7
79.17503	0.4
83.01396	0.4
85.02946	1.5
89.02433	2.1
93.03452	62.4
94.03784	1.9
101.02457	1.9
108.02097	0.4
111.34064	0.3
113.02445	1.1
119.03504	0.9
119.05014	0.9
119.21001	0.3
123.03283	0.4
123.20663	0.3
137.02437	100.0
138.02779	3.0
138.05602	8.3
161.04572	0.6
169.96408	0.4
202.69952	0.3
205.90677	0.3
244.92207	0.3
248.40073	0.3
284.03351	1.2
299.05130	0.6
299.07809	1.3
300.10922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07356	0.4
59.01379	92.1
60.01714	0.7
63.61224	0.4
69.86657	2.2
96.88239	0.4
98.19856	0.4
112.31600	0.4
114.98911	0.5
115.02518	13.4
115.79145	0.4
116.02582	0.7
117.00445	6.7
141.00406	0.5
156.99896	0.8
157.03571	2.8
158.03760	0.4
159.01492	100.0
160.01646	5.6
187.43065	0.4
201.02554	22.5
202.02698	1.8
217.00537	0.9
242.09883	0.5
257.03674	0.5
259.01596	3.4
260.01611	0.5
301.02655	53.5
301.21753	0.9
302.02792	8.2
306.27423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0559
Annotation	5,7,2'-Trihydroxy-6'-methoxyflavone
Peak:m/z	Relative Intensity
57.87670	0.5
59.01372	0.5
63.02391	0.8
65.00323	7.6
70.83483	1.1
70.83833	0.6
78.57505	0.4
79.33923	0.5
80.39171	0.5
80.87507	0.5
83.01371	3.8
85.43407	0.4
89.00316	1.5
89.65273	0.5
91.01878	1.1
97.02941	4.4
97.21384	0.5
107.01388	1.3
121.02940	2.7
132.02168	1.2
133.02927	1.7
147.04501	1.8
148.01622	0.9
149.99559	1.9
151.00352	2.3
165.01912	14.9
166.02257	0.6
172.05334	1.3
174.03192	2.9
177.02017	0.6
183.04483	0.7
184.05374	0.9
187.03902	0.7
189.05588	4.0
190.99785	0.6
196.05267	0.7
198.03206	3.3
199.03952	1.3
200.01212	0.8
200.04703	0.9
201.01804	0.8
206.13617	0.5
211.03941	1.8
212.04660	3.6
213.05560	1.7
214.02660	5.3
215.03526	2.6
216.04236	8.5
217.00310	0.5
227.03468	2.1
228.04181	1.6
229.04976	1.4
231.06583	13.9
232.06953	0.8
239.03427	1.7
240.04250	6.7
241.05000	2.5
244.10306	0.5
255.02937	2.1
255.06619	1.3
256.03717	2.0
256.07379	1.7
266.02344	0.5
269.04550	0.6
271.06088	0.9
271.09827	0.6
283.02475	2.3
284.03235	34.0
285.03525	2.5
299.05585	100.0
300.05905	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	299.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59257	0.4
63.02391	1.0
63.17851	0.3
63.27598	0.4
65.00334	0.6
70.27918	0.7
70.28310	0.7
71.20395	0.4
74.02243	0.4
76.27970	0.3
83.01368	1.3
96.64899	0.4
100.88472	0.4
107.01384	2.7
118.21192	0.4
132.02164	0.7
133.02934	0.8
134.03706	1.4
148.01564	0.4
151.00368	3.8
183.04414	0.4
189.56821	0.4
199.03952	0.9
200.04884	0.5
211.03952	1.4
212.04782	0.6
216.04268	0.4
227.03427	2.7
228.03728	0.4
239.03641	0.9
255.02919	2.4
256.03745	10.4
256.07813	0.4
257.04074	0.7
283.02374	1.4
284.03238	100.0
285.03613	6.1
299.05582	82.4
300.05865	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	299.056
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40768	0.2
59.01375	0.2
61.46345	0.2
63.02396	0.6
65.00307	0.5
70.07467	0.4
70.07856	0.4
83.01389	0.7
88.13518	0.2
107.01383	1.6
109.02963	0.4
124.01623	0.3
125.02428	0.6
132.02182	0.8
134.03726	0.9
135.04520	0.6
148.01721	0.5
151.00378	2.8
166.80695	0.2
177.05498	0.3
183.04500	0.6
187.04079	0.2
188.04794	0.2
199.04025	0.6
200.04758	0.7
211.03937	0.7
212.04427	0.3
215.03394	0.2
216.51160	0.2
227.03444	2.2
228.04073	0.7
239.03613	0.4
255.02977	1.4
256.03748	27.5
257.04181	1.8
283.02539	0.9
284.03238	100.0
285.03595	7.0
299.05588	75.6
300.05914	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	297.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53595	0.7
59.01376	11.2
61.98819	1.8
69.03452	2.3
70.05126	0.5
71.01376	1.8
71.05015	1.4
89.02444	1.3
91.03998	1.1
94.68905	0.6
101.02422	1.5
101.04489	0.5
113.02425	0.8
125.09753	1.1
135.00877	0.6
135.04547	1.0
149.09715	1.2
161.04527	1.1
167.10710	3.8
179.05486	0.6
179.10794	1.1
179.14442	3.5
185.86375	0.5
195.13882	11.5
205.12292	11.1
211.13356	4.6
223.13373	100.0
224.13719	5.6
229.03058	0.7
237.09692	1.4
239.03502	6.6
251.03482	1.4
267.02921	3.4
281.04611	1.6
282.05313	8.3
297.04514	0.9
297.07657	18.2
297.11157	1.2
297.17139	3.8
297.24460	3.4
297.27670	0.8
298.04556	0.6
298.07840	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2432
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
58.74459	0.6
59.01378	7.3
61.98828	1.4
68.99570	2.4
71.01376	0.9
71.41977	0.7
79.95752	0.6
81.65163	0.6
85.02927	0.7
111.26451	0.6
112.98547	3.1
119.05061	0.6
128.30478	0.6
135.70245	0.5
141.12852	1.2
148.53722	0.6
155.10767	15.6
156.11043	0.9
171.10201	0.9
182.99513	1.0
183.01183	18.5
184.01900	2.4
210.93994	0.5
216.00955	1.1
237.09789	1.7
279.23276	14.9
280.23511	0.8
295.22742	1.0
297.15271	43.8
297.24323	100.0
298.15442	2.8
298.24643	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	295.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.1
59.01372	5.9
71.01384	0.9
93.29367	0.5
97.06622	0.9
101.90849	0.6
113.09599	0.7
114.14109	0.6
114.29781	0.6
125.09751	1.6
127.11327	0.7
130.22112	0.6
141.12875	0.6
171.10260	45.5
172.10606	1.6
183.10257	3.1
195.13846	1.0
229.68440	0.6
233.22737	1.0
242.93109	0.6
254.15822	0.6
277.21713	55.9
278.22012	3.3
295.22760	100.0
296.23083	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	297.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.8
61.39906	0.4
61.98586	0.5
61.98827	5.2
66.71684	0.4
70.35400	1.0
70.35789	0.9
70.37994	0.4
71.01383	1.1
79.58129	0.4
80.09068	0.6
86.60206	0.5
89.02431	1.1
91.01868	3.1
98.20058	0.6
101.02426	0.9
108.02196	3.4
109.02940	1.1
121.02901	0.6
135.00865	4.5
136.01483	0.6
145.02931	1.9
146.03766	0.9
153.01906	1.2
161.02443	0.6
161.04553	0.8
173.02425	0.6
176.14082	0.5
195.04510	4.5
198.03154	0.5
202.39758	0.5
209.06081	0.7
211.04074	3.8
211.13437	2.5
223.03917	2.4
225.05576	0.6
237.05606	1.0
237.09641	1.3
239.03479	45.5
240.03787	2.3
250.02754	0.5
251.03421	6.8
252.03796	0.7
253.05086	2.1
254.05812	1.3
255.02872	0.6
266.02087	3.8
267.02960	26.6
268.03342	1.9
281.04568	9.3
282.05319	42.6
283.05594	3.5
293.57892	0.5
297.07657	100.0
297.24341	1.8
298.07980	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16267	0.4
54.34715	0.4
59.01377	6.8
61.31655	0.4
61.98852	0.4
63.02380	0.4
69.67398	2.6
71.01379	1.4
73.40031	0.4
73.93958	0.5
78.73371	0.5
80.02787	0.4
80.15343	0.6
89.02441	1.0
91.69756	0.5
98.20567	0.7
101.02433	0.7
117.03466	0.5
147.04576	0.6
151.00352	0.6
155.05038	1.2
161.02423	0.9
161.04546	0.6
167.04982	1.4
183.04482	3.7
186.03282	0.6
191.03490	2.1
195.04503	14.8
196.04941	0.5
198.03198	0.7
210.03201	1.2
210.06786	0.7
211.03987	11.0
211.13405	1.7
212.04349	0.8
223.04066	2.6
223.13376	1.1
225.05623	0.6
226.02728	1.8
237.09789	1.6
238.02681	0.9
239.03473	56.3
240.03845	3.1
253.04979	1.4
254.05829	25.7
255.03003	3.0
255.06120	2.0
255.92621	0.5
266.02106	1.4
267.02966	13.4
268.03238	0.9
269.04410	2.4
281.01175	0.6
281.04538	1.4
282.01727	29.5
282.05298	100.0
283.02209	2.9
283.05655	6.1
297.04053	21.9
297.07654	83.3
297.24347	2.0
298.04645	3.7
298.08032	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	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40424	0.8
57.03431	1.0
59.01377	13.9
61.98835	1.4
71.01369	1.6
71.41612	1.7
83.05026	1.0
85.03950	0.9
88.34601	0.7
89.02407	1.0
90.23912	0.8
94.40074	0.8
101.02431	2.1
113.09786	2.0
125.27769	0.8
133.01401	1.1
170.36745	0.9
179.14468	1.2
183.13867	2.6
193.42757	0.8
195.13882	19.9
205.39552	0.8
253.06989	0.9
277.21710	20.7
278.21902	1.1
289.99384	1.0
292.89243	1.0
295.22772	100.0
296.23099	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	295.2277
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03438	0.8
57.97565	0.2
58.31850	0.3
59.01377	2.0
67.98856	0.3
70.37711	0.6
70.38107	0.5
96.49912	0.3
97.06576	0.5
99.08192	0.4
113.09716	2.5
132.10432	0.3
133.83582	0.2
177.12865	0.7
179.14384	1.1
181.12347	0.6
195.13896	17.3
196.14264	1.0
196.38480	0.2
216.20494	0.2
251.23848	0.4
277.21710	18.7
278.22137	1.3
281.28061	0.2
295.22763	100.0
296.23108	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	295.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33157	0.5
59.01377	100.0
60.01704	0.6
64.95483	0.5
67.36767	0.4
69.92870	1.6
71.01055	0.5
71.01384	2.4
72.99300	0.6
81.11909	0.5
83.01423	0.5
85.02959	1.6
87.00887	1.0
89.02419	0.7
92.96275	0.5
94.12206	0.5
98.19936	0.6
98.51289	0.5
101.02484	2.3
113.02461	1.1
117.03486	1.7
119.05033	5.2
119.38695	0.4
131.03522	0.9
145.02957	9.3
145.04001	0.8
149.04597	0.9
161.02469	0.7
161.04613	1.2
161.06093	1.8
163.03999	7.6
187.04088	1.2
205.05118	1.4
214.04897	1.5
235.06203	1.2
235.11868	2.9
277.07001	0.6
288.70847	0.5
295.08395	1.3
302.14499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01706	0.8
61.98825	6.2
63.04700	0.4
69.03448	0.8
69.33828	2.1
69.34258	1.3
71.01378	2.6
73.02966	0.8
75.00877	0.9
83.01418	0.6
85.02987	0.8
87.00882	0.6
89.02451	0.8
101.02457	1.9
102.43134	0.4
112.63023	0.4
113.02458	0.7
117.03458	1.2
119.05025	8.9
121.02949	0.6
125.02473	0.5
131.03481	1.9
132.05783	0.7
133.01515	0.5
133.06618	1.1
135.04555	0.5
135.58032	0.5
145.02960	7.7
149.04524	2.3
159.04564	0.5
161.04747	0.8
161.06071	4.6
163.04005	13.3
164.04362	0.8
187.04050	1.3
191.07187	1.0
205.05064	0.7
220.58182	0.4
235.06235	0.9
235.11856	4.1
295.08313	1.5
295.13260	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1184
Annotation	Amotin
Peak:m/z	Relative Intensity
57.03437	6.5
58.39864	1.1
59.01371	10.3
61.49407	1.0
69.03447	3.2
69.50836	7.9
71.01378	3.2
73.02940	3.7
80.02665	1.1
80.96521	1.9
83.05036	4.2
85.02939	4.7
85.06555	1.2
89.02432	2.4
93.03436	4.7
95.01349	1.2
95.05020	18.3
96.96022	1.7
97.06598	1.0
98.03722	1.3
107.04973	1.3
109.02943	2.7
109.06566	2.6
111.04496	13.3
111.08131	3.7
113.02433	3.3
113.06087	19.9
115.03988	4.5
119.05024	57.3
120.05363	1.1
121.02950	3.2
121.06589	4.6
122.03711	1.9
123.08138	5.1
124.05310	1.6
131.03468	2.7
132.05841	1.8
133.02962	2.2
133.06615	8.2
135.04497	2.8
135.08147	2.6
137.06093	4.7
137.09712	3.9
138.06845	2.6
139.07625	4.6
140.89699	1.1
147.08176	2.2
149.04536	9.6
149.09700	7.7
150.09962	1.2
151.07632	3.2
155.07132	1.6
161.06064	28.0
162.06470	2.4
163.03999	100.0
163.11229	3.2
164.04359	3.9
164.08229	1.1
165.09166	5.1
165.99635	1.8
171.11739	6.8
173.09674	1.6
174.10384	1.4
177.09225	5.2
189.09193	4.6
189.12831	67.3
190.13139	3.2
207.10225	2.5
207.13889	5.7
235.06032	1.3
251.09079	1.9
251.12865	68.8
252.13181	3.5
295.08282	14.1
295.11795	61.1
296.08676	1.9
296.12140	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	295.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03447	2.9
58.00594	2.1
59.01378	63.5
60.01714	0.3
61.98844	0.2
64.12922	0.2
65.31464	0.2
71.01380	29.9
71.05025	0.7
71.51299	0.3
72.01725	0.4
72.99316	1.9
73.02946	1.8
75.00871	1.9
76.40568	0.2
83.01390	1.9
85.02947	9.7
86.03288	0.3
87.00872	1.4
87.04479	0.5
89.02442	37.7
90.02780	0.6
91.92143	0.2
95.01393	2.5
97.02975	0.3
99.00889	0.8
101.02441	22.1
102.02779	0.4
103.00378	0.9
103.69252	0.2
111.00889	0.3
112.98827	0.3
113.02448	12.7
114.02802	0.3
115.00375	0.9
115.04005	4.2
119.03497	16.5
120.03792	0.2
125.02463	0.3
129.01909	0.3
131.03490	1.2
133.05067	9.4
136.08865	0.2
142.99876	0.3
143.03476	1.3
149.04515	1.1
160.39998	0.2
161.04567	2.1
179.05597	1.7
235.08185	0.6
237.06218	0.9
250.35478	0.2
251.07703	0.8
295.10315	100.0
296.10635	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09668	0.7
59.01378	7.8
62.19742	0.6
66.49166	0.5
67.94239	0.6
69.18668	2.3
69.19086	3.0
71.01388	1.3
72.99306	1.4
75.00876	6.3
79.95758	1.6
85.02979	0.9
93.03473	1.0
113.02412	0.7
119.05027	54.6
120.05339	1.7
131.03505	1.2
133.03009	0.7
135.04535	0.8
142.01573	1.0
147.04417	0.6
148.93002	0.5
149.04558	24.3
150.04836	0.6
161.02489	1.1
163.04007	100.0
164.04355	2.6
165.15771	0.6
179.03552	1.2
276.29218	0.6
285.04001	1.1
295.10382	0.8
296.05466	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80337	0.6
58.56561	0.5
59.01376	8.3
69.03435	0.8
70.79335	0.7
70.79675	1.2
71.01374	1.7
72.99303	2.3
73.02947	1.5
75.00869	21.6
85.02957	0.8
87.00864	1.2
89.02435	9.8
93.03476	0.6
97.92726	0.6
101.02506	0.8
103.04027	1.3
117.03468	0.7
119.05025	36.8
120.05357	1.7
128.23277	0.5
131.03503	5.3
145.02965	1.1
149.04550	100.0
150.04895	2.0
163.04002	44.1
164.04323	1.5
166.72690	0.5
173.02061	0.6
175.79411	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
57.03436	3.0
58.00578	1.8
59.01377	65.7
69.30372	4.2
69.30701	0.8
71.01379	34.7
71.05013	1.3
72.99306	2.5
73.02941	1.6
75.00863	3.4
79.18075	0.5
83.01388	1.7
85.02950	9.7
87.00883	1.6
89.02443	40.6
95.01371	1.5
96.11909	0.5
98.19888	1.2
99.00881	1.1
101.02438	22.0
102.05634	1.1
103.00356	4.2
105.41671	0.5
112.98815	1.5
113.02444	13.8
115.00371	4.9
115.04018	5.1
115.64458	0.5
118.67553	0.6
119.03503	16.1
131.03474	1.6
133.05063	8.3
142.99896	0.6
143.03499	1.8
149.04510	0.7
161.04521	2.4
161.42223	0.5
173.00925	0.8
175.31776	0.5
179.05605	2.0
185.24057	0.5
204.14221	0.5
221.01576	0.6
251.07690	1.1
276.31439	0.5
295.10321	100.0
296.10660	4.5
314.20856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1708
Annotation	Serratezomine B
Peak:m/z	Relative Intensity
50.15405	1.0
59.01149	1.0
59.01377	9.8
61.98824	3.9
66.03461	1.5
72.59877	1.1
85.02952	2.4
85.06573	1.6
86.59459	1.2
96.96035	1.3
134.09756	1.1
146.09731	1.4
148.48756	1.0
155.92690	1.0
162.12852	5.6
164.14418	16.9
190.12366	27.3
191.12668	2.4
193.93324	1.2
206.15494	2.6
206.20717	1.1
208.13408	28.6
209.13730	1.7
232.17036	43.8
233.17374	2.5
246.99283	1.1
250.18120	1.8
268.57928	1.4
276.16025	16.8
277.16345	1.7
287.24738	1.2
294.17075	100.0
295.17328	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	295.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	50.6
59.50668	1.2
61.81530	1.1
69.03454	1.6
69.76091	7.0
71.01363	10.9
72.99300	2.4
73.02964	1.3
75.00865	15.4
85.02943	2.6
87.00880	2.1
89.02440	12.4
96.96024	1.4
113.02445	1.4
117.03455	12.8
119.05025	86.0
120.05322	2.9
131.03456	4.1
132.02110	1.2
132.05852	1.5
133.06592	4.2
145.02954	59.4
146.03299	2.3
149.04553	45.2
151.99263	1.5
161.06071	11.8
163.04005	100.0
164.04323	4.3
167.01643	1.5
175.04004	1.7
182.24809	1.1
187.03975	3.4
205.05069	9.9
235.06113	61.1
236.06429	2.5
295.08176	15.1
306.58383	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63931	0.6
55.31021	0.4
59.01370	2.2
62.25126	0.5
65.45262	0.4
69.03459	1.0
70.82922	0.6
70.83278	1.1
75.00892	0.5
85.08324	0.5
86.27981	0.5
93.03436	0.9
103.57755	0.4
108.75515	0.5
110.96516	0.5
114.16829	0.4
118.41159	0.5
119.05020	54.2
120.05331	2.3
131.03484	1.4
135.04568	0.6
149.04568	2.8
163.03999	100.0
164.04329	3.6
183.39404	0.5
295.08438	0.9
319.54468	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
59.01380	1.7
61.98825	0.8
62.43758	0.2
69.03440	0.3
71.01366	0.6
79.95735	0.4
95.05011	0.6
96.95971	0.4
97.06601	0.5
97.48427	0.3
98.19879	0.9
111.08136	0.9
113.09716	0.9
136.08926	1.0
167.10774	0.5
177.09222	0.5
177.12898	0.3
179.14378	1.1
181.12296	0.4
192.11560	0.8
193.14383	0.3
193.15929	2.3
194.10255	0.3
195.13898	12.8
196.14507	0.7
205.12289	1.2
205.15939	0.5
211.13411	0.6
220.14656	2.3
221.15468	5.0
222.15831	0.3
223.13385	8.9
224.13873	0.8
228.13660	1.5
231.21191	0.6
236.10513	3.3
239.12910	0.5
249.18571	0.6
249.22122	0.5
256.13144	3.9
257.13699	0.4
265.21762	0.7
275.17401	0.4
275.20129	6.8
276.20438	0.5
293.21194	100.0
294.18188	0.5
294.21506	7.8
312.17010	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38247	0.3
53.91014	0.2
58.02985	0.3
59.01398	0.3
71.19241	0.3
71.19578	0.3
79.55539	0.2
79.95728	8.8
80.96497	1.5
100.04044	0.7
102.05607	0.6
106.98089	4.3
124.00733	100.0
125.01026	1.0
125.41774	0.2
133.30203	0.2
166.01781	10.5
233.65271	0.3
246.98608	0.2
260.50549	0.2
276.12790	0.4
294.13766	60.7
295.14081	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.2
59.01360	0.8
61.98814	0.7
66.93096	0.4
70.53035	1.2
96.95986	0.5
97.06577	0.8
123.08170	0.5
125.09718	3.3
141.12823	1.0
147.85191	0.5
149.09697	1.2
158.39877	0.4
171.10307	0.4
183.13879	1.1
185.11768	7.3
193.16006	0.5
195.13895	1.1
197.11761	2.8
211.13255	0.5
220.14659	1.2
221.13593	0.5
221.15453	2.9
223.13405	0.7
236.10507	1.7
249.22090	0.9
275.20044	2.1
290.97745	0.5
293.21210	100.0
294.21570	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27573	0.2
51.52195	0.2
55.73908	0.2
57.03430	0.5
58.47429	0.2
59.01377	1.8
61.98828	0.5
62.67551	0.2
64.52161	0.2
66.82311	0.2
68.99555	0.8
69.03452	0.5
69.27576	1.6
71.01379	0.6
75.38609	0.2
75.39694	0.2
79.95740	0.2
80.96539	0.2
85.74755	0.2
95.05010	0.4
96.96011	0.4
97.06508	0.2
98.19922	0.3
111.08135	1.0
112.98573	0.9
113.09738	0.6
114.54630	0.2
121.10224	0.2
132.92732	0.2
136.08960	0.9
167.10768	0.7
179.14406	1.1
181.12358	0.3
192.11551	0.7
193.15965	2.1
195.13893	13.0
196.14520	1.0
197.15414	0.2
205.12312	1.4
205.15913	0.8
211.13382	0.9
220.14732	1.0
221.15456	2.3
223.13376	8.7
224.13898	0.8
228.13675	1.4
231.21117	0.6
236.10489	2.0
239.12874	0.5
249.18587	0.6
249.22293	0.3
256.13147	3.7
257.13312	0.3
265.21674	0.5
268.99753	0.2
275.20151	6.9
276.20584	0.4
293.21210	100.0
294.18207	0.4
294.21545	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90285	0.7
57.03455	6.0
57.08879	0.7
59.01367	2.5
70.59676	2.3
72.31709	0.6
73.60109	0.6
93.16408	0.6
97.06567	0.7
101.54160	0.7
113.09731	19.5
114.10080	0.9
121.10244	4.9
135.11890	0.8
139.11293	1.4
149.09677	1.0
167.10768	2.5
171.10265	9.7
171.60698	0.6
179.10780	2.2
185.11720	0.7
195.13895	2.9
231.21144	0.9
249.22263	2.3
250.49019	0.7
275.20129	12.3
293.21216	100.0
294.21539	9.2
300.12946	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19806	1.5
59.01382	2.7
61.21603	1.2
69.20021	8.1
69.20434	3.5
116.77685	1.1
121.10233	33.8
125.09669	1.6
136.08516	1.5
171.10262	61.6
176.08023	1.5
177.16452	2.1
183.13936	4.0
185.11794	2.3
231.21198	5.5
275.20129	100.0
276.20300	7.1
280.62064	1.5
293.21216	67.3
294.21515	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68004	0.4
59.32656	0.5
69.65417	2.6
79.78687	0.4
81.04103	0.4
94.46677	0.4
97.34854	0.5
98.20685	0.6
142.63742	0.5
148.35075	0.4
179.14395	0.6
181.12450	0.6
191.36276	0.5
195.13875	8.7
196.14539	1.6
198.61450	0.4
205.12296	0.8
205.15918	0.6
211.13347	0.8
223.13359	8.6
228.13680	1.4
256.13162	4.5
265.21561	0.6
275.20139	5.9
293.21213	100.0
294.21448	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07682	0.6
57.03440	1.5
59.01368	3.6
61.98824	2.3
69.67638	2.4
71.01395	1.7
83.04390	0.7
83.05000	0.8
92.34505	0.6
92.73376	0.7
93.89927	0.7
96.96020	1.2
98.20648	1.2
111.08136	0.8
112.08498	0.9
112.98582	0.8
113.09810	0.8
118.55814	0.7
121.10316	0.7
136.08939	1.2
139.11261	1.8
139.97531	0.6
151.11324	2.0
159.55437	0.7
169.12364	2.4
192.11601	1.9
193.16002	3.1
197.11833	28.6
197.14594	1.3
198.12192	1.2
205.01543	0.9
205.12257	1.0
208.05077	0.7
220.14636	5.6
221.15465	11.6
222.18585	1.1
231.21172	1.4
236.10513	8.3
249.18616	1.7
250.21803	2.2
275.20145	18.7
276.20645	1.1
293.21155	100.0
294.21478	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	292.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
57.24492	0.4
59.01386	3.4
61.98817	1.2
68.99579	2.0
71.01031	1.2
78.97883	0.4
112.78570	0.5
112.98521	2.4
135.04538	0.5
156.13934	100.0
157.14268	3.4
165.12866	0.7
166.13155	1.3
170.24210	0.5
175.00537	0.5
185.11792	0.7
200.12906	5.1
220.14682	2.0
221.15495	4.5
230.88203	0.5
236.10512	2.8
248.21014	1.8
274.18930	1.1
292.09149	0.6
292.19977	30.1
293.17618	1.1
293.21133	8.6
306.82681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
67.76028	0.3
69.85450	0.7
69.85873	1.1
69.95366	0.3
71.01379	8.3
111.78201	0.3
127.07610	0.6
148.05290	0.6
151.07674	0.4
164.08372	0.9
172.41560	0.3
177.09206	5.0
177.22600	0.3
178.09569	0.3
190.09866	0.5
192.11548	6.2
193.12016	0.5
205.12334	6.5
206.12788	0.7
207.13875	1.2
217.08678	0.5
218.09387	1.6
220.14673	48.0
221.15450	100.0
222.15788	6.3
235.13409	0.7
236.10524	72.0
237.10913	4.0
293.17615	12.0
293.21017	1.0
294.17953	0.6
301.66437	0.3
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
50.13688	0.4
59.01381	4.2
61.13741	0.4
61.41402	0.5
61.98812	0.9
62.12862	0.4
70.06331	1.2
98.20616	0.5
151.93732	0.5
153.09145	0.5
156.13927	100.0
157.14305	3.3
167.49965	0.4
189.88095	0.4
192.11499	0.9
200.12912	5.3
201.13063	0.4
217.07216	0.5
220.14740	3.0
221.15428	5.0
233.10275	1.1
236.10551	4.2
274.18777	0.7
292.19955	10.9
293.17654	1.1
293.21161	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	291.1965
Annotation	12-OPDA
Peak:m/z	Relative Intensity
54.52033	0.2
59.01367	0.8
59.45250	0.3
60.94176	0.2
61.98823	0.3
69.16171	1.3
69.16595	1.2
71.65765	0.3
73.01850	0.2
80.02669	0.5
93.03471	0.3
95.05047	0.4
97.06603	0.4
106.04216	0.4
111.08155	1.7
114.89021	0.2
125.06110	0.4
148.08925	1.1
149.09749	0.5
150.10461	0.7
151.11255	0.5
163.11263	0.9
165.12842	16.9
166.13184	0.9
167.10901	0.4
167.29655	0.3
175.11322	0.4
176.12013	0.4
177.12823	0.6
191.14449	0.6
195.13881	1.0
202.10001	0.3
217.15973	0.4
223.13379	0.9
227.80273	0.3
247.20685	9.5
248.21091	0.5
256.13144	0.3
272.91504	0.3
273.00128	0.3
273.18597	5.5
274.18933	0.3
291.19641	100.0
292.19983	7.1
296.63663	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
56.16486	0.5
59.01363	0.5
61.98819	1.3
68.99541	0.7
71.37198	0.7
73.02943	42.4
79.95771	0.5
112.98576	1.4
121.02975	0.8
131.01445	0.5
247.16875	0.5
291.19650	100.0
292.19971	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	291.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
58.25869	0.5
59.01377	100.0
60.01715	0.6
62.31329	0.5
67.16879	0.6
69.41602	2.9
69.42010	1.3
71.01384	6.2
73.02949	2.7
83.01399	1.0
85.02948	3.4
87.00884	1.1
89.02457	0.9
93.15542	0.5
99.00889	0.8
101.02444	5.7
113.02437	4.1
142.88486	0.6
159.02992	0.7
161.04558	3.4
162.03262	0.6
169.53461	0.6
204.06618	0.8
248.79858	0.7
249.13420	9.3
298.70599	0.5
308.85190	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63046	0.7
52.63700	0.6
55.01878	0.9
57.03445	1.3
59.01377	100.0
69.26717	4.5
71.01379	5.9
73.02955	3.1
79.95734	0.8
80.18855	0.6
83.01397	1.6
85.02941	3.5
99.00885	1.1
101.02439	5.9
113.02469	2.5
121.70613	0.6
134.69482	0.8
137.35902	0.6
145.92023	0.6
161.04550	2.6
173.11865	1.7
173.68640	0.7
249.13419	14.0
249.15926	0.8
250.13875	0.9
314.41879	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1084
Annotation	Itoside L
Peak:m/z	Relative Intensity
55.01882	5.8
57.03440	4.5
58.00584	4.6
59.01376	100.0
67.05517	3.4
68.05875	1.1
71.01380	89.4
71.51432	1.1
71.51889	1.5
72.99307	4.3
73.02945	18.9
75.00873	2.1
77.75847	1.3
83.01392	11.0
85.02945	32.7
86.00095	2.1
87.00875	4.7
89.02440	58.6
90.86066	1.2
95.01379	6.9
97.02907	2.0
99.00874	7.3
101.02439	68.6
102.02794	2.4
111.00864	1.4
111.04492	10.0
113.02441	36.6
119.03493	28.8
123.00874	3.1
125.02411	2.4
129.01955	1.7
129.05565	10.0
131.03484	3.0
131.62029	1.2
143.03494	5.6
147.06613	2.4
149.04584	1.9
159.02919	2.2
161.04546	21.4
161.12712	1.3
179.05617	4.4
237.17644	1.3
247.11876	18.5
291.05545	2.7
291.10843	54.0
292.11102	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	291.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02965	0.4
58.82354	0.5
59.01378	100.0
59.57287	0.4
60.01718	1.0
66.75990	0.4
68.99819	0.6
69.15004	5.1
71.01379	6.7
72.04517	0.6
72.99336	0.8
73.02952	3.2
83.01402	1.7
85.02940	4.0
87.00898	0.9
89.02400	0.5
99.00889	1.0
101.02447	6.5
113.02455	2.4
119.54895	0.5
134.03716	0.4
145.02997	0.4
159.02945	0.7
161.02515	0.8
161.04535	2.4
162.03218	0.7
164.07205	0.6
175.03983	1.3
176.04901	0.5
178.18680	0.5
247.06219	1.9
249.13403	8.8
249.63721	0.5
291.05286	1.7
291.13550	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
71.23325	2.5
80.09882	1.2
81.35188	1.3
94.01283	1.3
128.90198	1.4
215.98495	1.3
301.06357	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	0.9
59.07515	0.6
61.98842	1.3
65.03960	0.9
65.99815	0.7
70.57855	1.1
70.58253	1.3
71.05019	1.2
76.09547	0.6
84.04530	3.8
98.06094	1.4
98.20668	0.6
100.56580	0.5
105.07107	1.1
109.02943	0.9
110.03294	0.8
121.02938	0.8
128.03545	0.7
132.05765	0.6
146.06068	0.7
148.07663	7.3
161.09709	12.9
174.09258	1.4
176.10822	1.5
204.10272	100.0
205.10597	4.6
217.10931	0.6
246.14977	4.4
287.38324	0.6
290.14023	3.9
290.18250	0.6
291.19647	3.2
310.83228	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1809
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
59.01385	5.0
61.98815	1.9
69.99870	2.7
78.98078	0.5
81.03459	0.6
93.03503	0.6
95.05055	1.0
97.06580	0.9
107.05020	0.8
109.02987	0.6
109.06583	1.6
111.41952	0.5
112.98528	0.6
115.69445	0.5
119.08662	2.1
121.10197	0.7
123.08165	1.9
125.06052	0.6
125.09740	1.3
131.04999	1.1
135.08192	0.6
140.09793	0.5
140.22942	0.6
145.06613	0.7
148.08876	1.0
149.09714	1.3
150.10477	0.8
151.11244	0.6
152.22739	0.7
160.08948	0.7
161.09705	1.1
162.10454	0.9
163.07626	0.7
163.11279	11.7
165.12753	1.5
174.10619	0.6
175.82472	0.6
177.12831	1.5
189.12979	0.8
191.14409	15.0
192.14781	0.8
217.16006	2.9
227.17957	0.9
243.17523	0.8
245.19087	31.8
246.19453	2.4
247.17062	0.9
261.18518	1.0
271.17041	3.6
289.18082	100.0
290.18414	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	289.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.9
59.01380	1.9
63.18151	0.3
65.03963	0.3
67.01889	0.3
69.03452	2.1
70.87611	0.6
70.87990	0.6
70.91472	0.2
71.01361	0.9
71.05022	1.5
81.03453	32.0
82.03789	0.6
83.01334	0.4
83.05016	2.3
84.02156	0.8
85.02929	1.3
92.67389	0.3
93.03453	2.4
95.01378	1.8
95.05032	2.0
96.02173	0.3
97.02950	5.6
97.06578	0.3
98.03726	0.4
99.04520	6.0
107.05048	0.6
108.02166	5.0
109.02950	3.2
109.06620	1.5
111.04512	1.4
113.06080	0.4
115.03997	0.9
121.02952	6.2
121.06596	0.3
122.03706	1.2
123.04520	18.8
124.01655	0.6
124.04816	0.7
125.01525	0.7
125.02442	13.2
127.04034	0.8
130.04221	1.4
131.05037	0.5
133.02979	3.2
134.03749	2.1
135.04526	7.1
137.02457	0.6
137.06094	0.6
139.03996	1.1
145.02925	0.5
146.03719	1.2
147.04495	5.2
147.18942	0.3
148.05296	3.5
149.06107	3.1
153.05507	0.4
158.03729	0.5
159.04485	0.8
160.05305	0.6
161.02425	1.2
162.03168	0.9
163.07635	15.0
164.07974	0.5
165.05588	1.4
169.06657	0.5
170.07301	0.4
171.04420	0.7
172.05276	0.5
173.06047	1.0
174.03195	4.3
175.00580	0.3
175.03955	0.9
175.07648	0.7
176.04857	0.3
185.06036	1.1
186.03244	0.5
186.06834	1.0
187.07579	1.2
188.04791	0.4
188.08362	0.3
189.05569	4.3
191.07004	0.3
197.06035	0.9
198.03204	0.6
199.03984	3.7
199.07635	0.3
201.01936	2.1
201.05533	1.1
201.09166	0.3
202.06329	2.1
203.07004	0.6
203.10776	2.6
204.04315	0.8
209.06175	0.4
210.06816	1.4
211.07600	0.7
212.08424	3.3
213.05565	6.4
214.06343	7.7
215.07117	1.5
216.04201	0.9
217.05090	0.6
217.08661	4.8
219.06662	2.5
220.06917	0.3
225.09148	0.6
227.07098	1.0
227.10681	3.3
228.07825	0.8
229.08678	11.2
230.09393	3.6
231.06592	0.6
237.05566	0.8
238.06294	3.4
239.06955	0.4
241.05058	0.7
243.10184	0.9
245.00870	1.1
245.08044	0.8
245.11807	9.1
246.12181	0.5
247.09636	0.5
253.08693	6.4
254.08948	0.5
255.06754	0.5
256.07401	8.4
257.07608	0.7
259.09695	1.6
269.08148	1.0
271.09744	21.3
272.09979	1.0
274.08371	0.4
289.10788	100.0
290.08020	0.3
290.11127	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	287.2226
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
60.54317	0.3
69.54797	0.3
70.35479	0.3
70.35818	1.3
79.46533	0.3
99.08150	1.9
109.02958	0.3
123.04504	0.3
129.09209	0.9
141.12874	1.5
149.05869	0.3
153.52664	0.3
185.11852	0.3
211.20706	0.3
241.21719	1.1
269.21231	2.6
272.06705	0.3
275.42264	0.4
285.20639	1.8
287.22260	100.0
288.22623	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	288.1603
Annotation	Mesembrine
Peak:m/z	Relative Intensity
54.22083	0.4
59.01356	1.8
65.84909	0.4
71.52774	0.6
81.03442	0.8
89.85504	0.4
92.05042	1.2
93.03448	1.7
107.03725	0.6
108.02114	0.5
108.04559	4.8
109.02956	4.6
112.67809	0.4
114.55354	0.4
119.08648	1.0
121.02862	0.6
134.02472	32.4
135.03307	7.5
136.04037	36.0
137.02435	1.4
137.04402	1.0
148.04089	0.8
149.04819	1.2
157.78821	0.4
167.62767	0.5
176.03490	4.5
190.05048	0.6
288.16034	100.0
289.16049	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.9872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36761	0.4
59.01365	1.6
61.20718	0.5
79.95730	2.3
87.00874	3.3
96.96005	100.0
97.06648	0.6
100.55980	0.5
103.39119	0.4
111.00875	0.8
113.68862	0.4
128.03571	0.8
139.07645	0.5
142.96628	8.4
142.99867	0.5
155.07123	0.6
157.95293	0.8
160.97675	2.8
174.99225	1.7
184.97661	13.4
198.99240	0.5
202.98723	14.4
226.98801	0.9
234.70648	0.5
244.99739	1.0
264.45892	0.5
289.06729	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98171	1.2
54.25296	1.2
54.68992	1.1
55.40915	1.1
59.01364	5.7
65.03949	2.0
66.95798	1.2
71.01371	1.6
71.09910	1.6
71.10268	1.9
80.02661	2.0
83.05053	2.1
84.02149	2.0
90.71008	1.3
107.05014	2.3
109.02947	2.4
109.06560	1.8
121.02956	5.5
125.02442	3.2
135.04576	2.3
137.02390	2.0
138.48228	1.5
150.03156	3.0
151.04004	25.4
193.15898	1.5
195.48033	1.3
197.03036	1.4
205.39308	1.4
205.45056	1.3
219.13864	3.1
237.14941	100.0
238.15268	5.7
243.10103	2.0
248.76151	1.5
255.15981	18.0
263.50562	1.5
272.06662	1.6
287.04910	2.2
287.09122	11.0
287.12085	2.3
287.16296	6.3
287.22110	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	287.1652
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
50.24543	0.9
58.49805	0.9
59.01369	4.1
61.98814	1.1
66.32904	0.9
69.53393	3.7
69.53803	2.9
80.97668	0.9
83.05012	1.0
97.06626	1.4
102.04733	2.8
104.74748	1.2
109.03002	1.1
112.98512	1.2
115.05554	5.1
117.07100	100.0
118.07431	4.0
119.08669	1.1
125.02393	1.4
125.09737	12.5
127.37418	0.9
135.04475	3.1
150.03198	2.2
155.55412	1.0
205.00694	1.1
231.13976	1.1
251.05766	1.0
269.15509	1.5
287.09363	3.8
287.16510	86.4
287.22220	9.3
288.16858	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	287.1653
Annotation	Hynapene B
Peak:m/z	Relative Intensity
59.01129	0.6
59.01376	5.4
61.98825	0.8
69.68652	3.8
71.01357	1.1
80.02691	0.7
81.03439	1.8
83.05006	1.3
84.08731	0.5
88.59248	0.8
93.03425	0.7
95.05014	4.7
97.06596	0.7
98.20633	1.0
105.38110	0.6
106.04216	1.2
107.05005	2.1
109.06589	9.4
111.47225	0.7
119.08627	0.8
119.50085	0.6
121.06587	2.3
121.10240	2.2
123.00901	0.6
123.08167	5.2
125.02405	1.3
131.52382	0.8
133.10176	1.1
135.08157	2.8
141.09230	0.7
145.06587	1.0
145.10156	0.7
147.08122	4.4
149.09734	3.5
159.08138	1.0
161.09705	2.3
163.11278	0.6
171.08160	1.3
173.09711	1.8
175.11276	2.6
185.09680	1.4
186.10487	2.4
187.11241	0.9
189.12830	5.3
215.14336	1.5
225.16460	1.0
227.14330	0.9
235.98842	0.7
243.10043	0.8
243.17500	26.9
244.17876	1.8
259.16647	0.7
265.18265	0.6
269.15506	1.4
287.16510	100.0
288.13712	1.0
288.16824	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	287.056
Annotation	5,7,3',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
51.64663	0.5
54.14583	0.6
56.69446	0.6
57.03443	15.9
59.01388	1.5
61.14384	0.6
63.02387	4.8
65.00318	7.1
69.61652	4.1
71.01380	1.2
80.10413	0.6
81.03460	3.5
83.01380	11.4
93.03442	2.2
95.01373	1.2
98.20654	0.8
107.01389	6.6
107.05028	0.6
109.02934	2.5
111.00864	0.9
121.02975	1.6
123.04546	1.9
124.01669	3.0
125.02438	100.0
126.02791	2.8
130.04311	0.8
131.05048	1.2
133.02965	3.1
134.03725	2.2
135.04523	2.2
137.02365	0.7
145.02921	0.8
149.06100	1.0
151.00365	12.0
152.01146	7.1
153.01932	3.1
156.05806	1.0
157.06494	1.5
158.03612	0.8
159.04477	1.8
159.08466	1.5
165.01860	1.0
169.01418	1.1
169.06599	0.7
172.05270	1.2
173.06082	4.9
175.03941	0.9
177.05548	13.1
178.99854	6.8
180.05898	0.7
185.11839	1.3
187.07558	0.7
188.98938	0.7
195.10257	1.0
197.11801	5.9
199.03908	0.7
199.07660	4.0
199.09256	0.6
201.05579	7.8
203.03465	1.7
213.05548	2.1
213.11400	0.8
215.07089	7.2
219.06592	1.8
241.05042	2.5
243.04115	0.8
243.06572	11.9
259.06082	72.7
260.06439	4.1
269.04565	3.2
287.05594	60.2
287.14618	3.4
288.05826	5.2
306.88882	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.056
Annotation	Dihydrokaempferol
Peak:m/z	Relative Intensity
51.70972	0.4
57.03431	0.4
59.01389	0.9
60.28088	0.3
63.02403	2.6
65.00322	12.9
68.99785	0.4
71.53873	0.4
83.01390	5.6
84.01722	0.3
107.01386	17.2
107.05055	0.5
108.01722	0.4
109.02940	2.2
124.01666	0.7
125.02454	4.4
133.02943	3.3
134.03677	1.5
135.04520	100.0
136.04866	2.8
137.02481	0.4
148.83829	0.3
149.02357	0.4
149.15097	0.3
151.00363	91.9
151.11337	0.5
152.00700	2.9
153.00854	1.0
161.02406	0.9
165.01889	0.6
165.67056	0.3
169.01453	1.8
169.12323	1.3
175.03946	0.5
177.01927	1.0
177.04414	0.4
199.03940	0.4
201.04515	0.7
213.11224	0.5
245.26083	0.4
269.04523	0.6
287.04984	32.1
288.05392	1.4
297.43335	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.207
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
52.21591	0.4
57.03429	0.9
59.01369	1.3
60.77771	0.5
61.98826	0.6
65.00320	0.8
67.96128	0.4
70.74709	0.6
70.75075	1.0
72.65240	0.4
78.95905	0.9
83.05025	0.7
101.99619	0.4
107.12064	0.4
108.02153	0.9
121.02924	1.0
123.04510	2.0
133.02945	1.7
134.03725	0.8
135.58385	0.4
149.02502	0.4
149.06064	1.8
151.00349	0.9
152.87613	0.5
172.66618	0.4
175.03957	0.5
221.19159	0.5
223.20656	55.5
224.21004	3.4
241.21635	1.8
267.19632	34.6
268.19974	2.4
285.04065	9.1
285.11395	2.7
285.20694	100.0
286.04230	1.1
286.21024	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	286.2386
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01364	0.7
61.98819	1.0
69.23003	2.2
69.23428	1.3
70.02964	1.0
74.06116	2.4
77.40048	0.4
77.83512	0.3
83.43150	0.4
85.21270	0.4
90.13503	0.3
93.03424	0.5
98.02457	0.4
107.05460	0.4
109.02940	0.8
112.98603	0.4
117.07109	4.7
118.05079	1.0
121.02955	0.4
155.87849	0.4
158.57387	0.4
240.15894	0.4
240.23271	3.2
242.21257	1.2
242.24838	0.5
243.98009	0.4
268.22720	0.7
270.04117	1.4
271.04547	5.3
286.04254	1.6
286.07004	5.2
286.23856	100.0
287.16528	3.5
287.24258	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	285.0614
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
57.47689	0.5
58.87241	0.5
65.65546	0.4
69.32088	3.9
98.19939	0.9
108.02160	7.6
109.02945	92.1
110.03300	2.6
111.13795	0.6
115.26959	0.4
123.00903	1.2
137.02405	0.9
151.99983	1.0
152.01151	15.6
153.01926	100.0
154.02280	2.8
160.95482	0.5
285.06137	77.7
286.06537	5.2
301.37671	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88050	0.4
59.01375	100.0
60.01691	0.6
70.15114	0.7
71.01375	3.5
72.99274	0.4
81.03422	0.4
83.05024	4.3
85.02946	0.8
89.02439	7.1
92.05058	1.1
94.34247	0.4
101.02450	1.7
108.52726	0.4
109.02966	1.7
113.02472	2.1
119.03502	2.5
122.06108	0.5
128.03531	0.5
153.01941	2.6
156.01225	4.1
161.04634	0.7
161.92664	0.4
175.04007	0.5
179.03711	0.4
179.05644	1.6
191.10204	0.4
207.15103	0.5
225.16077	14.2
226.16403	1.0
238.97963	0.5
282.78278	0.5
285.03546	0.6
285.06146	1.5
285.09808	1.1
285.26941	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0404
Annotation	Luteolin
Peak:m/z	Relative Intensity
54.74707	0.4
59.01422	0.4
63.02399	1.3
63.47403	0.3
64.56390	0.4
65.00309	4.4
69.77731	0.7
69.78129	1.8
73.52092	0.3
74.95367	0.4
83.01398	2.2
87.02409	2.3
89.03973	1.6
91.01897	0.6
93.03444	0.6
94.62810	0.3
95.01379	4.9
98.20553	0.6
104.99823	0.4
105.03442	1.1
107.01394	4.4
108.02176	2.9
108.56797	0.4
109.02950	9.3
109.03694	0.5
110.00094	0.6
119.01387	3.9
121.02944	1.2
123.00867	0.4
123.04520	0.6
125.02450	2.8
127.76089	0.4
131.01422	0.5
133.02951	12.3
135.00896	4.4
136.01637	1.7
145.02864	0.6
147.00867	8.1
148.01608	0.4
149.02461	3.4
149.99585	0.6
150.48792	0.4
151.00363	9.5
155.05023	0.6
161.02429	0.8
163.00403	0.8
164.01125	1.8
165.01929	0.6
171.04541	1.1
173.06133	0.7
175.00383	0.4
175.04028	3.6
177.01921	21.7
178.02264	0.7
180.36137	0.4
183.04375	0.4
183.13885	0.5
184.75157	0.4
185.06104	0.5
189.01872	2.9
189.05470	0.4
192.00638	26.9
193.01399	16.5
194.01741	0.7
197.06082	1.1
198.03197	1.0
199.04013	4.5
201.01938	0.9
211.03926	1.4
211.13400	3.7
213.05527	1.5
215.03542	0.7
217.04980	1.9
221.00749	1.8
223.04037	0.4
229.05009	0.8
239.03473	0.8
241.05107	4.1
242.05867	0.8
243.02975	1.5
257.04462	4.5
267.03030	1.6
270.05270	4.1
271.05792	0.5
284.03125	0.4
285.04025	100.0
285.07492	4.4
285.83511	0.4
286.04373	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	283.1703
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
59.01378	3.4
64.31817	0.4
67.67452	0.4
70.58738	1.0
71.01388	0.4
74.63338	0.5
76.03901	0.4
85.02982	0.5
92.98521	0.4
98.20586	0.4
99.25912	0.4
101.02434	0.5
107.05025	99.7
108.05358	2.8
113.43529	0.4
128.04327	0.4
146.99603	0.5
161.04514	0.6
163.11281	100.0
164.11572	3.4
223.08188	0.9
239.03452	0.8
240.04298	0.6
247.59032	0.5
255.02980	0.7
268.03741	8.3
269.03879	0.9
275.59915	0.4
283.02945	1.0
283.06198	6.5
283.17020	95.8
283.22897	6.4
283.26358	58.4
284.06451	0.9
284.17334	6.7
284.22537	0.5
284.26743	2.7
304.78568	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0402
Annotation	Luteolin
Peak:m/z	Relative Intensity
60.90026	0.2
63.02383	0.5
64.76100	0.2
65.00311	1.8
83.01386	0.7
105.03491	0.4
105.91665	0.3
107.01380	2.8
121.02948	0.9
124.78899	0.2
132.02177	0.4
133.02948	18.3
134.03300	0.7
146.35724	0.2
149.02440	2.5
149.99208	0.2
151.00352	6.3
169.06549	0.3
171.04407	0.4
173.05952	0.2
175.04002	3.3
197.06079	0.6
198.03177	0.8
199.03983	3.5
201.01939	1.2
211.04065	0.3
212.04675	0.3
213.05534	0.4
215.03540	0.5
217.04999	1.5
223.04094	0.3
229.05078	0.3
241.05060	1.5
243.03038	0.6
257.04483	0.6
267.02887	0.3
285.04022	100.0
286.04358	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.3
63.02384	1.3
65.00295	0.7
69.27555	0.3
69.27970	0.9
83.01378	0.8
107.01386	2.3
117.03467	0.5
132.93950	0.2
148.01663	0.6
149.99606	0.8
151.00356	2.9
151.70718	0.2
153.67476	0.1
158.03714	0.3
167.05040	0.2
168.05766	0.2
168.19478	0.1
169.01425	0.1
171.04526	0.8
172.05249	1.0
183.04475	0.3
184.05283	0.7
195.04433	0.5
196.05244	0.8
199.03893	0.2
200.04747	0.6
211.04008	2.1
212.04697	0.8
217.12393	0.1
223.04129	0.2
224.04727	0.4
227.03485	0.2
232.03770	0.2
239.03473	3.4
240.04254	4.4
241.04619	0.2
256.22159	0.2
267.02939	1.8
268.03748	100.0
269.04095	5.8
270.57004	0.1
272.23270	0.2
283.06100	82.2
283.26410	2.9
284.06430	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0612
Annotation	Acacetin
Peak:m/z	Relative Intensity
51.22077	0.2
59.01365	0.7
59.02440	0.2
63.02390	1.1
65.00325	0.5
70.67706	0.2
70.68041	0.4
83.01384	1.0
103.08523	0.2
107.01385	1.9
117.03457	0.5
137.26773	0.2
148.01689	0.6
149.99541	0.7
151.00357	2.7
158.03725	0.3
171.04428	1.0
172.05305	0.7
184.05278	0.5
195.04437	0.4
196.05212	0.9
199.03883	0.4
200.04741	0.6
211.03931	1.3
212.04814	1.0
214.35707	0.2
224.04692	0.3
239.03473	4.1
240.04243	4.5
241.04735	0.3
267.02930	1.7
268.03745	100.0
269.04083	6.0
283.06097	80.1
283.26376	4.6
284.03741	0.2
284.06424	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	283.061
Annotation	Acacetin
Peak:m/z	Relative Intensity
52.89552	0.5
59.01371	5.1
61.98797	0.5
63.02393	0.7
65.00341	0.4
71.01362	1.4
71.20228	1.1
72.65576	0.4
83.01368	0.7
89.02411	0.7
95.01358	1.6
97.60497	0.4
101.02425	0.8
105.03444	0.7
107.01345	1.2
108.02122	0.7
123.04510	1.2
132.02156	4.0
133.02948	18.3
146.03738	1.2
147.04501	2.4
148.01610	0.7
151.00363	1.8
160.01656	13.4
167.05095	1.0
171.04422	1.0
175.03967	3.5
176.01134	9.7
178.09914	0.5
183.04492	1.2
184.05234	1.2
191.03477	9.8
195.04492	1.8
196.05226	1.7
198.03198	0.6
211.03990	4.5
212.04752	2.5
219.03029	0.9
222.03186	0.9
223.03989	3.8
223.08240	0.7
224.04732	8.8
226.02661	0.9
227.07094	0.8
228.04323	0.6
239.03484	7.5
239.07169	1.5
240.04247	10.1
241.04903	0.8
251.03450	4.1
253.05145	0.9
255.02789	0.8
255.06602	3.9
267.02948	13.0
268.03729	100.0
269.04022	6.1
283.06088	96.2
283.09576	0.9
283.15768	0.9
283.26382	44.3
284.03485	0.9
284.06381	5.8
284.26773	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0605
Annotation	Acacetin
Peak:m/z	Relative Intensity
59.01375	0.6
61.60621	0.3
62.50480	0.3
63.02385	1.4
65.00333	0.5
81.96693	0.3
83.01386	1.2
107.01394	2.3
117.03475	0.6
148.01701	0.3
149.99605	0.8
151.00368	2.8
167.04994	0.3
169.01411	0.3
171.04497	0.9
172.05321	1.1
184.05272	0.4
195.04570	0.4
196.05368	0.7
200.04761	1.1
211.04036	1.9
212.04784	0.8
227.03609	0.3
239.03511	3.8
240.04280	5.2
267.02893	2.0
268.03738	100.0
269.04068	6.7
269.06802	0.4
283.06091	82.6
283.26392	3.0
284.06430	5.8
289.06189	0.3
296.41879	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61694	0.2
59.01360	0.7
63.02388	1.3
65.00319	0.4
69.17937	2.3
77.01272	0.2
83.01382	0.8
107.01373	1.9
111.26588	0.2
117.03473	0.5
146.94209	0.2
148.01653	0.5
149.99588	0.7
151.00375	3.4
158.03714	0.3
171.04489	0.9
172.05254	0.9
184.05276	0.4
195.04462	0.5
196.05310	0.7
199.04068	0.3
200.04790	0.5
211.04002	2.3
212.04755	0.7
224.04689	0.3
239.03481	3.6
240.04254	4.7
267.02966	1.8
268.03748	100.0
269.04092	6.4
283.06107	80.2
283.26428	3.7
284.06448	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	283.061
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01351	0.6
68.85093	0.3
71.06982	0.4
71.07315	0.3
75.58443	0.3
78.43463	0.3
91.01859	0.7
112.75781	0.3
114.09348	0.3
132.02161	4.9
135.00868	1.4
141.87901	0.3
147.00870	0.6
151.00279	0.4
154.04268	0.4
167.04941	0.5
180.05785	0.6
184.05263	1.1
190.02661	0.7
195.04469	1.6
196.05244	1.7
198.03249	0.5
211.04010	6.4
212.04677	2.2
222.03285	0.4
223.04001	3.0
224.04752	3.4
226.02631	2.3
239.03474	14.4
240.04185	5.9
241.04688	0.3
250.02672	0.4
267.02951	15.7
268.03735	100.0
269.04086	6.0
283.06094	89.5
283.26370	5.2
284.06421	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	281.1756
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
56.57547	0.9
57.03436	1.9
59.01374	100.0
61.98810	1.1
69.66570	3.6
69.66972	1.9
85.02896	0.9
87.00876	1.1
96.96031	1.3
111.08146	1.7
113.06045	2.4
119.05070	1.0
121.06845	0.9
121.10223	11.9
147.11761	1.8
159.06589	7.0
169.08684	2.1
193.07109	1.3
193.82034	1.1
197.11772	1.0
245.15558	1.1
263.16486	13.4
264.16791	1.1
266.02081	2.0
281.14410	2.0
281.17493	22.7
281.24692	5.3
282.17935	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.9
59.96105	0.3
64.78284	0.3
71.01363	0.9
82.22341	0.4
84.92716	0.3
85.02924	0.6
89.02427	1.1
91.01888	1.8
97.02940	0.4
98.22823	0.3
101.02425	0.9
108.02154	1.1
111.61959	0.3
113.02431	0.8
132.02193	0.6
135.00877	4.7
148.01656	4.4
151.10269	0.3
153.01909	0.5
156.05788	1.0
160.01607	0.6
167.04973	0.4
183.04468	1.4
184.05289	5.0
195.04494	3.5
196.05264	2.1
198.03255	0.6
211.03984	17.3
212.04659	2.3
223.04013	2.5
224.04793	2.7
227.03564	0.4
239.03471	11.4
240.04251	7.0
251.03450	1.0
267.02908	4.5
268.03741	100.0
269.04132	6.2
283.06097	68.2
283.26404	15.1
284.03238	0.9
284.06369	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	283.0609
Annotation	Biochanin A
Peak:m/z	Relative Intensity
52.50976	0.4
54.78972	0.4
59.01374	6.7
60.00428	0.4
63.02409	0.6
65.82989	0.4
66.84274	0.4
69.30923	3.7
71.01384	3.2
72.99268	0.5
73.02966	0.7
83.01380	1.2
85.02944	1.1
89.02429	3.1
91.01883	2.2
99.00856	0.7
101.02438	2.3
108.02171	1.3
113.02454	1.3
119.03530	0.9
135.00888	3.7
148.01668	4.9
153.01932	0.6
156.05775	0.8
160.01660	0.7
161.04591	0.9
170.72638	0.5
183.04544	1.5
184.05263	5.3
195.04523	3.2
196.05206	1.7
211.03986	16.0
212.04691	2.6
223.04015	1.7
224.04666	2.2
239.03487	10.1
240.04262	6.4
251.03505	0.6
255.03021	0.7
267.02954	5.1
268.03738	100.0
269.04105	5.3
283.06091	72.4
283.26392	24.0
284.03223	7.2
284.06433	4.3
284.26810	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.9
60.05568	0.5
68.39652	0.5
69.30956	4.7
71.01375	2.8
72.99303	2.2
73.02950	2.2
73.71269	0.5
75.00870	25.5
82.80491	0.5
83.01374	0.6
87.00865	0.8
89.02448	6.2
93.03404	0.7
98.19862	1.1
100.61734	0.6
101.02447	2.2
113.02430	0.7
113.27502	0.6
117.01942	2.8
119.05029	30.0
135.03000	100.0
136.03340	0.9
136.05208	0.5
137.25836	0.6
145.02888	1.2
145.72365	0.5
163.04005	44.2
164.04346	1.7
170.71300	0.6
245.13939	1.0
281.06665	1.2
281.09372	2.8
281.24802	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	281.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09711	0.4
51.19415	0.3
52.39971	0.4
59.01365	1.4
61.98829	100.0
69.57461	1.5
69.57872	1.0
88.04050	1.6
91.98466	0.4
98.19924	0.8
113.16203	0.4
144.88501	0.4
146.08209	0.7
218.10263	2.4
218.32430	0.4
220.44360	0.4
259.67062	0.4
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	Carolenalol
Peak:m/z	Relative Intensity
55.01866	1.6
57.03193	1.2
57.03450	12.7
59.01381	15.8
59.97092	0.8
65.03957	4.0
69.03443	1.9
69.75950	3.0
69.76363	1.3
71.01376	1.6
71.05029	1.4
75.00862	1.2
79.95733	2.5
81.03427	1.4
83.01370	0.9
83.05025	14.0
85.02939	1.9
85.06638	0.8
87.00874	16.5
88.04030	0.9
93.03455	1.5
95.05025	3.5
97.02944	1.3
97.06577	0.9
98.03754	0.9
99.04505	1.2
101.02421	1.1
101.06088	1.0
107.05074	1.2
109.06567	0.9
111.04527	3.9
111.08166	4.6
113.02411	1.3
113.06083	1.2
119.05035	6.9
119.08649	2.1
121.06594	6.9
121.82050	0.7
123.08163	28.9
124.05295	2.3
125.09690	0.9
129.07094	1.7
132.03029	0.9
133.06558	1.0
134.03754	6.0
135.03029	5.0
135.04472	2.6
135.08160	1.6
137.02429	1.9
137.09740	3.6
138.06889	1.6
139.07654	3.6
145.10222	3.0
149.06033	2.7
151.07610	2.8
153.09219	4.7
163.02763	1.1
163.04013	11.0
163.11234	1.2
169.08690	2.5
169.10202	4.4
171.11784	32.8
172.12108	1.9
175.11360	0.9
178.02736	3.9
179.03429	1.9
185.09688	1.7
189.12856	11.6
191.10800	1.0
193.03369	1.1
193.05035	12.8
201.12862	11.0
207.13916	7.0
219.13904	4.6
221.04570	1.8
237.14955	47.8
238.15311	3.4
281.06989	2.3
281.13928	100.0
281.24683	1.9
282.14249	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	279.1965
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
59.01365	7.1
61.98812	5.7
69.93569	2.4
71.01388	2.4
71.53475	4.0
93.88024	1.9
101.02461	2.2
108.94536	2.2
109.02982	2.1
164.00624	2.4
171.43629	2.3
179.06000	2.8
195.13857	14.6
223.13400	8.3
256.13089	3.7
261.18518	8.3
279.12930	3.3
279.16464	4.8
279.19650	100.0
279.23129	11.7
280.20007	4.9
304.82077	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	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
68.72269	0.5
88.17486	0.5
89.15652	0.4
98.20641	1.8
104.10122	0.4
165.83907	0.5
180.19434	0.5
279.23282	100.0
280.23615	8.1
285.73914	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1235
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
55.01865	0.4
57.03447	13.1
59.01383	0.8
64.73389	0.2
67.01897	0.3
68.71298	0.2
69.03437	1.1
71.01393	0.7
71.05005	0.3
71.54181	0.3
73.02950	0.3
73.17644	0.2
79.05547	0.6
81.03478	0.7
83.05019	3.3
85.02954	0.6
85.06593	0.5
93.03457	0.6
93.07112	0.3
94.04253	0.8
95.01390	0.2
95.05026	3.3
96.96030	0.6
97.02947	6.5
97.06579	1.5
99.04522	0.7
107.05016	1.5
108.02173	0.9
109.02951	5.3
109.06583	7.0
111.04517	4.8
111.08186	0.3
114.53250	0.2
119.08654	2.0
121.06600	3.7
122.03735	14.9
123.04563	2.2
123.08124	0.6
124.05291	20.9
125.02442	0.6
125.06105	5.7
127.03996	0.4
133.06546	0.3
135.04495	1.4
135.08138	0.7
136.05305	0.8
137.06082	11.5
137.09723	0.8
138.03212	0.4
139.07642	100.0
140.07942	2.6
142.02695	0.5
145.10248	0.8
147.08154	4.1
148.05299	0.7
149.06046	0.6
149.09676	0.3
150.06844	0.2
151.07617	0.4
153.05574	0.5
157.06598	0.4
159.08139	0.3
159.11775	0.3
161.09731	0.7
161.13380	0.3
162.06873	0.5
163.07634	1.7
163.11299	1.7
165.05574	0.3
165.09180	0.3
168.07909	25.3
169.08707	2.9
169.10135	0.5
171.08151	2.2
172.08882	0.8
173.06261	0.3
173.09586	0.3
175.07603	0.7
175.11252	0.9
177.09201	0.5
177.12836	1.7
185.09724	0.9
187.11275	17.1
188.11571	0.7
189.09187	1.6
190.09982	5.2
191.10770	0.3
199.11264	0.3
205.12317	32.8
206.12686	1.7
215.98875	0.3
217.12323	1.2
231.10204	1.1
235.13377	3.4
249.11301	2.7
261.11227	0.6
279.09018	0.6
279.12314	7.8
280.12485	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2167
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.00913	0.3
59.01074	0.4
59.01373	8.0
62.04084	0.3
62.33855	0.3
71.01376	0.7
73.02950	0.3
81.45090	0.3
83.05020	0.4
89.02421	0.3
93.90427	0.3
95.00958	0.3
96.80734	0.3
98.19830	0.5
107.89626	0.3
111.00837	0.3
121.02959	2.0
127.07619	0.5
140.41602	0.3
145.02945	0.4
177.66376	0.4
205.15924	1.9
233.19130	0.6
233.22794	0.5
235.13252	0.4
259.20447	0.3
275.20267	0.3
277.18173	11.2
277.21667	100.0
278.18686	0.4
278.22040	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	279.1084
Annotation	Hymenoside M
Peak:m/z	Relative Intensity
55.01880	1.2
57.03436	0.9
58.00588	4.3
59.01377	100.0
63.33644	1.0
70.47321	1.4
70.47713	2.1
71.01378	60.1
72.99314	3.4
73.02929	1.8
83.01382	2.0
85.02956	11.0
87.00877	2.8
89.02441	66.5
90.02793	1.2
95.01364	3.9
99.04504	4.1
101.02439	33.4
107.16682	1.0
113.02445	25.4
117.05573	8.7
119.03495	31.2
131.03484	2.2
143.03525	2.6
149.04526	2.3
160.02608	1.2
161.04587	2.5
161.57799	1.1
163.01646	1.1
179.05618	4.5
222.49167	1.1
260.84967	1.0
279.10843	60.9
280.11163	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.217
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.88382	0.5
56.54817	0.4
59.01362	0.9
60.02828	0.5
70.83858	1.2
72.29025	0.4
73.22844	0.4
84.32566	0.6
94.18715	0.4
108.15840	0.4
120.92400	0.4
275.20023	0.5
277.21701	100.0
278.22043	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	277.0927
Annotation	Tuliposide A
Peak:m/z	Relative Intensity
53.10489	0.2
54.99412	0.2
55.01870	0.6
57.03442	1.3
58.00581	0.2
58.02961	0.2
59.01376	5.2
69.03457	1.4
71.01377	100.0
71.05003	0.4
71.52988	0.2
72.01714	1.1
72.99310	0.5
73.02941	3.2
74.00708	0.6
74.02470	0.7
79.89518	0.2
81.03443	0.2
83.01385	5.2
83.05030	0.3
84.02184	0.2
84.04543	0.3
85.02949	6.1
87.00873	13.6
87.04510	1.8
89.02441	4.2
95.01366	1.1
96.97022	0.2
97.02924	0.3
99.00888	1.2
101.02439	3.8
101.04303	1.1
109.02966	0.4
113.02441	5.5
115.03991	0.8
116.01765	2.3
116.03542	0.4
119.03498	0.3
119.04998	0.2
121.02915	1.0
125.02451	1.1
128.03569	0.4
129.05536	0.4
133.05060	91.4
134.05380	1.9
137.02411	0.3
143.03487	0.6
144.04572	0.4
145.02904	0.3
146.06075	0.2
147.03171	0.2
148.04070	0.8
149.06433	1.0
159.04362	0.2
160.04062	0.6
161.04568	0.9
167.03467	0.3
173.07210	0.2
175.63074	0.2
178.01801	1.0
179.33220	0.2
187.04573	0.3
187.06111	1.9
196.90810	0.2
214.26437	0.2
233.06735	0.2
233.09410	0.2
259.02588	0.2
259.06180	0.8
277.04166	0.3
277.09323	9.7
277.12582	0.6
277.21686	3.3
277.24475	0.4
278.09927	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.8
61.98837	0.3
70.34909	0.4
70.35246	0.5
71.01381	0.9
75.35577	0.3
79.95716	0.3
80.19045	0.2
82.03878	0.3
83.05027	0.5
99.00919	0.3
127.07693	0.3
146.86058	0.3
163.58086	0.3
177.16472	2.0
191.10767	0.3
196.02492	0.3
199.08188	0.3
203.17949	0.3
231.17610	0.5
231.21149	7.8
232.21623	0.5
257.19122	0.8
270.74805	0.3
273.18524	0.3
275.20129	100.0
276.20493	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	276.918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98946	0.3
67.01298	0.3
69.45525	1.0
69.45934	1.0
79.95751	0.7
80.74281	0.3
96.96014	11.4
98.19968	0.5
119.93713	0.3
128.94685	0.3
134.96077	0.9
134.97061	2.7
135.97285	0.3
136.94005	100.0
137.94081	4.2
154.95117	0.3
176.98036	1.0
178.95073	1.8
198.03592	0.3
216.89662	98.3
217.89735	5.5
234.90732	21.0
235.90778	1.1
258.87381	0.4
276.85092	0.3
276.88501	1.1
276.91751	2.8
276.98163	1.3
277.21811	0.7
293.90295	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.15
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	25.9
66.07472	3.4
69.03431	4.0
71.01379	50.3
71.53649	3.2
73.02950	3.6
80.02673	2.8
81.03445	8.4
83.05027	5.5
83.19003	3.1
84.02158	5.8
97.02943	20.7
98.00504	2.9
103.24960	3.7
109.06582	79.7
110.03693	8.3
118.96583	3.4
121.06597	7.1
123.08156	5.6
125.09707	3.6
135.08127	12.2
136.05229	3.2
142.02690	12.0
161.09766	8.3
161.34639	3.2
163.11295	47.2
171.10245	11.6
181.12352	18.3
185.11844	3.3
189.09160	3.5
199.13348	6.3
207.08382	5.6
207.10251	100.0
208.10582	4.1
215.12875	3.6
225.11333	25.2
243.12323	10.7
275.15060	4.7
279.08362	3.6
284.50693	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	275.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88113	3.1
59.01384	31.3
65.98310	2.7
70.87348	6.4
71.01379	51.0
71.13104	2.7
80.02650	4.1
81.03460	9.9
83.05019	12.8
87.04517	6.2
90.31045	2.5
93.03452	3.0
95.05009	5.7
97.02927	16.2
99.00888	4.3
107.05076	4.2
109.06590	84.0
110.03704	5.1
121.06613	7.0
125.09776	5.6
128.06259	3.3
131.26843	3.1
135.08162	11.2
136.05296	4.4
141.12791	2.8
142.02682	11.4
161.09749	8.4
163.11284	45.5
171.10242	10.7
181.12312	19.5
185.11760	4.3
194.91641	3.6
197.11897	3.8
199.13416	8.0
207.10248	100.0
208.10657	5.2
225.11287	27.2
243.12315	11.5
275.14908	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	275.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17865	0.3
59.01376	2.6
69.03426	0.4
69.53387	1.6
71.01378	100.0
72.01717	1.3
75.94302	0.3
83.01377	0.5
83.05003	0.3
85.02951	0.6
85.04062	0.4
85.06586	23.5
88.04044	0.4
98.20624	0.6
101.02463	0.3
108.04558	0.5
113.02420	0.6
113.06100	0.4
127.07644	0.6
129.05614	0.4
130.08473	0.3
131.07135	78.7
132.07463	1.8
151.05135	1.1
157.06276	0.5
169.06186	2.2
185.08182	11.6
241.08287	1.0
275.06903	1.0
275.11365	1.0
275.18527	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0768
Annotation	4,2',4',alpha-Tetrahydroxydihydrochalcone
Peak:m/z	Relative Intensity
50.56652	0.9
50.90261	0.9
53.17417	0.8
59.01365	1.2
59.63628	0.8
65.03952	4.4
67.01909	1.6
71.01353	1.0
79.05531	2.8
81.03465	3.6
86.37431	1.0
87.00888	1.0
88.04044	7.1
91.01952	1.7
93.03473	3.2
96.95988	1.4
98.82139	0.9
99.79301	0.9
108.02157	1.8
109.02949	40.0
115.88332	1.1
119.05072	1.2
121.02944	10.3
122.03782	1.2
123.04523	9.7
125.02589	1.0
134.03706	1.1
135.00854	6.3
135.04538	3.5
136.01669	2.4
137.02449	17.6
139.04112	1.4
148.01654	9.5
149.02461	13.1
153.01942	2.6
163.00365	8.5
163.04066	4.8
164.37347	1.0
165.01904	7.7
167.03496	100.0
168.03894	2.2
183.13927	2.8
227.07164	3.9
229.08739	1.9
255.06567	7.1
270.39685	0.9
273.07681	42.2
273.16949	1.7
274.07980	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	273.0768
Annotation	Phloretin
Peak:m/z	Relative Intensity
57.03440	2.6
57.43295	0.4
59.01380	1.0
65.00311	2.3
67.01916	0.4
69.49529	1.4
69.49940	1.8
73.27592	0.4
81.03455	33.9
82.03790	0.6
83.01382	7.1
93.03459	6.4
95.01380	0.6
98.20599	1.0
107.01407	1.9
119.05023	28.9
120.05347	0.8
123.04521	44.0
124.04845	1.2
125.02444	14.2
135.04529	0.5
146.67427	0.5
147.04466	0.6
149.02477	1.0
151.00356	5.6
151.71101	0.5
166.02678	1.6
167.03488	100.0
168.03838	2.7
169.06662	0.5
171.04567	0.6
172.73625	0.6
179.03513	5.1
187.07617	0.8
189.05562	4.8
229.08647	2.2
240.07907	0.9
255.06473	0.9
255.10254	1.9
273.07663	84.8
274.08029	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	273.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.9
70.81219	1.1
81.03449	1.1
83.00935	0.5
83.01366	3.8
84.02149	2.2
88.04027	1.1
95.62497	0.5
97.02988	1.0
103.78453	0.6
117.44332	0.6
125.09711	4.6
127.11289	1.9
135.08183	0.7
155.11734	0.5
163.11259	1.1
165.12872	0.9
167.11818	0.6
171.10295	3.8
179.10654	0.5
191.10844	3.1
209.11806	4.4
211.13367	0.9
223.13387	1.3
226.12088	1.0
239.13945	1.2
241.14377	1.7
243.16022	0.9
243.36057	0.5
273.17056	100.0
274.17361	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2279
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
59.01360	0.3
59.81493	0.2
61.98849	0.3
76.23625	0.2
91.05543	0.3
98.20656	0.5
108.02156	0.4
109.02947	0.8
117.97324	0.2
121.02941	0.3
125.02427	0.3
134.03745	0.2
135.04529	1.4
135.12987	0.2
149.06076	0.2
225.22217	4.6
241.04947	0.3
253.21631	1.4
256.07446	0.5
269.21109	1.1
271.09793	2.0
271.22763	100.0
272.23087	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	273.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84858	0.2
52.81820	0.2
57.03440	1.7
59.01381	1.0
63.02388	0.5
65.00319	3.1
67.01891	0.2
68.99801	0.3
69.03437	0.4
71.01407	0.3
76.32472	0.2
79.62160	0.2
81.03448	27.0
82.03787	0.6
83.01376	8.3
93.03453	10.2
93.22983	0.2
94.03767	0.3
95.01391	0.8
95.05013	0.9
99.04502	0.7
107.01378	2.5
107.05035	0.3
108.02169	0.6
111.04507	0.6
119.05022	21.9
120.05325	0.5
121.02939	0.5
123.04516	46.1
124.04828	0.7
125.02437	13.0
135.04514	1.9
137.02467	0.4
143.05070	0.2
145.06564	0.5
147.04510	0.5
149.02402	1.5
150.99188	0.3
151.00354	5.2
151.66170	0.2
153.50711	0.2
161.05980	0.2
163.07637	0.3
166.02672	0.7
167.03479	100.0
168.03816	2.7
169.06602	0.5
171.04483	0.6
172.05121	0.2
178.98311	0.2
179.03476	9.5
180.03836	0.4
185.06036	0.7
187.07626	0.9
189.05544	4.7
190.05872	0.2
193.73982	0.2
211.07677	0.8
214.06577	0.2
229.08649	1.6
255.06551	1.1
273.07645	78.3
273.17090	1.9
274.08002	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	271.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03954	1.4
71.22829	0.9
78.78664	0.4
81.89431	0.4
91.05531	13.9
92.05921	0.6
93.03436	3.7
93.47101	0.4
103.05546	0.6
105.03445	0.9
108.02174	20.0
109.02948	2.0
119.05031	1.7
120.21502	0.4
121.02951	100.0
122.03204	2.5
123.04520	39.0
124.04842	0.9
125.02404	0.6
133.02959	7.5
134.03737	25.3
135.04521	70.0
136.04819	2.4
147.04518	20.5
147.05675	1.1
148.04886	0.7
149.06071	56.3
150.06404	2.1
250.15187	0.5
271.09732	73.2
272.10172	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	271.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03958	2.5
67.01875	0.8
70.00174	1.6
81.03515	0.5
91.04655	0.4
91.05533	9.0
93.03455	2.8
95.01373	0.7
96.02186	1.2
104.13131	0.4
107.05032	0.4
108.02177	7.5
109.02946	39.5
110.03280	1.0
111.00885	1.3
119.05061	0.4
121.02947	11.0
122.03683	0.3
123.03620	0.8
123.04512	9.4
124.04833	0.4
133.02998	1.7
134.03746	7.6
134.04723	0.5
135.04518	61.8
136.04832	1.6
146.03714	0.7
147.04512	11.9
148.05301	0.9
149.06073	14.6
153.71965	0.3
160.05309	0.4
161.32770	0.3
170.03931	0.4
172.05298	0.9
173.06105	0.4
183.04471	0.4
186.06837	2.1
187.07597	0.9
188.04778	0.4
196.05278	0.4
197.06067	3.2
198.06503	0.4
199.03999	1.5
203.10744	1.1
210.06892	0.5
211.07643	1.0
212.08385	3.0
213.05566	1.1
214.06320	3.5
227.03484	0.8
227.10703	0.5
229.08652	3.3
237.05431	0.7
238.06345	2.8
239.06947	0.5
241.05051	5.6
242.05371	0.3
243.10036	0.3
253.08734	2.8
255.06544	1.0
256.07410	7.5
262.57980	0.3
271.09726	100.0
272.10123	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.7
59.01381	5.6
59.69077	0.9
71.01381	7.9
71.01776	2.3
71.02143	1.0
71.10770	0.9
72.33172	1.0
72.99308	6.5
80.02664	1.1
83.01371	2.9
84.02172	1.2
87.00916	1.2
89.02470	1.7
97.06590	6.5
99.00874	8.0
107.05028	2.0
108.02174	3.9
109.02886	1.2
109.06578	4.4
111.00897	2.4
112.98823	9.9
115.00344	3.1
117.01931	4.1
121.06590	2.4
123.08165	1.4
124.98813	3.5
125.06095	7.9
127.07650	3.3
136.01740	0.9
137.06067	6.5
139.07635	3.9
140.98341	1.2
142.99860	39.2
149.06084	4.1
153.05585	11.2
155.07121	3.2
165.05547	1.9
167.07121	4.0
173.00902	4.9
174.01686	100.0
175.02222	2.8
179.07170	2.3
191.03508	6.8
193.05052	8.6
201.01883	1.9
211.06114	3.0
212.04823	2.2
227.07109	1.7
241.05060	1.0
270.99689	1.3
271.02435	5.5
271.05899	2.5
271.08417	1.8
271.15570	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0971
Annotation	Neovestitol
Peak:m/z	Relative Intensity
55.38599	0.3
65.03958	2.8
67.01886	1.4
68.30701	0.2
79.05543	0.4
80.02661	0.4
91.05530	9.0
93.03462	2.7
95.01383	1.0
96.02171	0.5
98.19923	0.6
103.05530	0.3
105.03450	0.3
107.05039	0.6
108.02172	8.7
109.02946	44.1
110.03307	0.8
111.00870	1.3
119.05046	0.5
121.02953	13.7
122.03763	2.0
123.03625	0.6
123.04520	10.1
125.02431	0.6
128.01175	0.6
133.02937	2.2
134.03740	6.6
135.04518	57.6
136.04829	1.6
147.04518	12.3
148.05208	0.9
149.02388	0.3
149.06064	11.5
150.06407	0.6
153.59171	0.3
160.05257	0.4
165.10333	0.4
170.07373	0.5
171.04665	0.4
172.05281	0.9
173.06015	0.4
174.01595	0.5
183.04471	0.5
183.75740	0.3
185.06023	0.7
186.06879	2.2
187.07625	1.2
188.04784	0.3
196.05264	0.4
197.06071	4.2
198.03154	0.4
199.03976	1.7
203.10750	1.0
210.06831	0.6
211.07672	2.0
212.08388	2.6
213.05557	1.6
214.06348	4.3
215.06831	0.5
224.08382	0.4
225.09154	0.3
227.03491	1.0
227.07047	0.5
227.10744	0.4
228.08023	0.4
229.08670	4.0
237.05504	0.5
238.06271	2.9
241.05031	6.9
253.08658	2.7
255.06575	2.0
256.04196	0.3
256.07370	6.8
257.07849	0.4
271.09726	100.0
272.07101	0.4
272.10080	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	271.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93424	1.2
59.01376	6.2
61.10441	1.3
63.02385	1.9
65.00333	4.6
66.13833	1.1
69.87524	2.8
69.87914	3.5
71.01381	5.0
72.99307	9.1
73.02935	2.4
83.01364	6.8
93.03451	3.8
97.06599	3.6
99.00893	6.2
104.01755	1.6
107.01358	7.0
107.05017	1.5
108.02168	3.5
109.02940	1.4
109.06597	5.6
111.00822	1.6
112.98809	9.0
115.00388	1.6
117.01949	4.4
119.05035	21.0
121.06582	4.1
123.04526	1.9
125.02464	2.3
125.06061	6.8
127.07665	2.5
132.30292	1.3
135.04527	2.2
137.06046	3.7
139.07651	1.7
142.99870	9.4
149.06076	1.7
151.00357	15.7
153.05583	13.9
155.07109	1.8
165.05595	6.9
167.07115	4.1
167.08615	1.3
173.00871	3.6
174.01688	100.0
175.02249	3.1
193.05090	5.8
195.01326	1.3
255.07289	1.6
271.06052	26.7
271.09488	4.1
271.15530	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	271.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85093	1.1
58.00610	1.1
59.01366	2.4
70.88125	2.0
70.88473	1.4
71.01381	3.2
83.01389	2.5
87.00865	1.1
99.00890	4.8
108.55593	1.1
108.79993	1.2
112.98827	6.3
115.00373	1.7
118.95084	1.2
121.06537	1.6
123.08117	1.6
125.09711	2.6
142.99854	3.1
153.05586	4.1
166.44511	1.2
173.00867	2.4
174.01685	100.0
175.02072	2.6
189.71425	1.1
193.05055	2.4
211.06033	1.5
259.67554	1.2
271.08243	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	271.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
69.96387	1.8
69.96779	2.2
71.01375	2.4
72.99311	1.5
82.39853	0.9
83.01382	2.5
99.00870	4.0
101.70581	1.0
109.06573	2.6
112.98777	5.3
113.99621	1.0
129.07928	1.1
135.07678	1.1
137.06049	1.3
139.07555	1.3
142.99818	3.3
149.06076	1.4
152.27342	1.1
153.05562	3.4
156.10197	1.1
173.00861	2.3
174.01686	100.0
175.02258	3.1
193.05081	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68105	0.9
59.01375	6.2
68.99803	1.2
69.68288	1.6
69.68696	4.6
71.01376	9.4
71.08275	0.9
72.99307	6.9
73.02958	1.7
83.01385	2.7
87.00852	2.0
93.07130	1.2
97.06596	6.5
98.20625	2.2
99.00899	8.1
107.05000	2.0
108.02175	4.5
109.02953	1.7
109.06596	4.4
111.00864	1.6
112.98815	9.6
115.00374	4.2
117.01969	2.8
121.02980	1.3
121.06612	2.0
123.08178	1.5
124.98811	4.8
125.02475	1.6
125.06091	7.5
125.92796	1.1
127.07655	4.1
135.04492	1.5
136.01735	1.3
137.06091	8.2
139.07643	3.4
140.98189	1.2
142.99861	43.5
149.06058	3.4
150.03204	1.2
153.05586	12.4
154.94864	1.1
155.07176	2.8
164.56554	1.0
165.05582	1.5
167.07106	5.1
168.80577	0.9
173.00870	5.3
174.01688	100.0
175.02171	2.9
179.07158	1.2
184.68457	1.0
193.05014	11.4
199.09642	1.1
211.06003	2.1
212.04872	1.4
219.15018	1.0
227.07210	1.0
253.04912	1.6
256.03674	2.3
271.02423	3.4
271.06042	3.9
271.15457	1.2
271.22791	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.061
Annotation	Butein
Peak:m/z	Relative Intensity
50.06013	0.6
63.02394	8.4
63.98193	0.6
65.00320	14.4
68.81286	0.7
71.52414	1.0
83.01384	11.7
87.83936	0.7
93.03463	12.3
95.61606	0.6
107.01389	24.1
108.02233	1.1
109.02929	1.6
109.59970	0.7
117.03458	0.7
119.05020	68.1
120.05357	1.8
121.02953	1.8
125.02412	3.2
130.28442	0.6
135.04521	2.4
137.02345	0.7
143.05014	0.7
145.02960	1.5
149.02460	1.4
151.00359	67.0
152.00722	1.3
161.06068	1.8
161.19864	0.6
165.01917	3.5
165.37540	0.6
169.01382	1.7
177.01910	9.0
185.05995	1.4
187.03981	2.0
188.17719	0.6
201.83725	0.7
209.15402	1.4
209.92163	0.8
227.07159	1.2
234.82942	0.8
235.13373	2.2
253.05142	0.9
253.14326	4.0
256.06409	1.1
271.06097	100.0
271.15512	5.5
272.06470	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	271.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.8
65.54805	0.9
68.72961	0.9
69.81468	4.0
71.01376	3.8
72.99309	2.0
83.01395	3.7
97.06583	1.2
99.00887	3.5
108.02153	2.6
109.02983	2.0
109.06567	2.7
111.00826	1.5
112.98788	7.6
115.00360	1.9
117.01892	1.1
125.02398	2.7
135.04480	2.7
137.06065	1.9
141.71721	1.0
142.99846	3.2
149.06082	1.2
153.05597	4.7
158.96468	1.0
167.07140	2.2
173.00877	1.9
174.01672	100.0
175.02231	3.2
185.05884	1.1
193.03389	1.0
193.05049	2.4
199.04247	0.9
201.83221	1.3
213.05502	1.2
227.09193	2.4
241.05087	3.5
256.07318	2.2
271.02353	8.5
271.07867	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	11.0
57.03443	7.2
59.01376	54.3
60.01709	0.8
66.12559	1.1
69.84638	3.6
71.01378	100.0
72.99299	3.2
73.02941	36.2
75.00871	2.1
83.01384	18.7
85.02946	53.6
86.00075	1.3
87.00873	4.9
89.02447	4.4
92.77303	1.0
95.01381	6.7
97.02965	2.4
99.00874	16.9
101.02438	80.0
102.02779	2.1
107.05077	1.2
108.83796	1.1
113.02449	39.0
124.67093	1.0
125.02464	1.7
129.01930	1.8
143.03523	3.9
159.02974	10.1
161.04544	34.1
161.34682	1.1
179.33372	1.3
239.96115	1.1
269.04553	3.6
269.10297	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	269.0818
Annotation	(-)-Medicarpin
Peak:m/z	Relative Intensity
61.60120	0.2
65.17730	0.2
68.04707	0.2
70.52243	0.7
85.67890	0.3
97.52464	0.2
108.02171	1.6
117.03453	0.3
121.02933	1.4
123.04501	0.5
132.02162	1.5
133.02983	0.6
135.00972	0.2
145.02934	1.3
161.02422	0.3
171.04466	0.3
175.09532	0.2
181.06610	0.4
182.07349	0.2
183.04454	0.7
184.05287	0.9
185.06044	1.8
186.06804	2.1
195.04465	1.1
197.06032	0.4
198.06805	0.7
201.07722	0.2
208.05251	0.4
209.06038	5.5
210.06841	5.2
211.03984	3.6
212.04704	1.3
225.05565	6.0
226.06248	2.1
227.06703	0.4
236.04805	0.5
237.05554	0.7
239.03468	2.8
253.05034	6.5
253.07674	0.4
254.05823	100.0
255.06168	4.6
269.08163	55.9
270.08496	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0454
Annotation	Apigenin
Peak:m/z	Relative Intensity
60.59144	0.2
63.02397	1.2
65.00320	2.9
69.78395	0.8
70.99081	0.2
83.00944	0.3
83.01363	1.5
83.44392	0.2
93.03520	0.4
98.20545	0.3
105.03457	0.9
107.01385	5.3
115.14733	0.2
117.03458	19.6
118.03800	0.6
121.02937	1.5
133.02951	0.6
135.00940	0.2
135.04504	0.3
141.03383	0.2
148.01605	0.2
148.54388	0.2
149.02437	8.4
149.03633	0.4
150.02771	0.3
151.00362	9.5
152.00742	0.2
155.05078	0.3
159.04486	1.9
161.02472	0.2
162.22922	0.2
169.06578	0.3
174.32867	0.2
180.05818	0.6
181.06587	1.7
183.04501	1.6
185.02390	0.4
197.06056	0.7
201.05544	1.8
209.02379	0.3
213.05481	0.3
224.04770	0.7
225.05559	4.1
225.14980	0.4
226.05937	0.2
227.03487	1.8
241.04951	0.4
254.05760	0.4
269.04529	100.0
270.04904	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	269.0453
Annotation	Apigenin
Peak:m/z	Relative Intensity
62.41259	0.3
63.02392	4.6
65.00319	2.3
73.53946	0.2
83.01369	0.5
84.19579	0.2
89.00320	0.3
93.03452	0.8
98.20691	0.6
105.03429	0.4
107.01379	4.3
117.03454	11.6
117.04292	0.6
118.03813	0.4
121.02962	0.7
133.02901	0.3
135.04491	0.8
149.02428	3.0
151.00365	3.5
155.04991	0.6
159.04503	2.7
161.02417	1.2
169.06584	0.6
181.06552	0.4
182.03735	0.4
183.04524	1.6
196.05394	0.4
197.06091	1.3
199.03914	0.3
201.05595	1.4
201.27071	0.2
221.75597	0.3
224.04744	0.5
225.05501	2.2
227.03400	1.3
262.62833	0.3
268.03702	0.3
269.04523	100.0
270.04868	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	268.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77362	0.3
56.57689	0.2
59.01366	0.5
63.02396	4.8
65.00320	2.3
83.01382	2.7
101.57596	0.3
107.01385	5.6
116.02659	0.2
117.03444	1.8
123.00907	0.3
140.33577	0.2
147.00845	0.3
148.01614	0.9
149.99574	1.3
151.00365	4.8
152.00540	0.3
156.05791	0.5
157.26802	0.2
158.03664	0.4
167.05017	0.9
169.01399	0.6
171.04503	1.8
172.05234	0.9
183.04425	0.7
184.05249	1.0
184.58168	0.3
195.04523	1.1
196.05266	0.9
197.85957	0.2
198.03207	0.6
199.03932	0.5
200.04736	0.9
211.03987	6.0
212.04762	1.5
224.04649	0.4
224.13663	0.3
227.03664	0.3
230.29416	0.2
239.03477	5.9
240.04251	6.3
253.04630	0.5
267.02948	2.7
268.03741	100.0
269.04114	5.1
269.21030	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.6
60.01702	1.0
61.98826	100.0
62.08448	0.4
69.69198	1.7
69.69610	1.1
71.01376	0.9
72.01721	0.5
73.02947	0.6
80.21572	0.4
85.02946	0.5
86.46158	0.4
101.02429	0.5
103.99868	0.4
114.02802	0.6
197.09969	0.4
201.85809	0.5
268.07770	0.8
284.08813	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1234
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
57.03429	3.2
59.01376	100.0
59.16030	1.5
60.23072	1.2
71.01389	1.5
71.05010	1.8
71.53253	1.5
73.02943	3.1
83.05023	2.4
85.02937	1.4
86.90339	1.3
87.00886	3.6
101.02424	1.6
131.21623	1.2
161.13383	2.6
163.11250	1.9
165.03560	1.4
167.49559	1.4
195.13853	2.1
205.12238	2.8
207.10213	2.5
223.13374	58.7
224.13553	2.5
239.03619	2.3
252.04199	4.2
267.06708	4.2
267.12341	11.3
267.15744	2.0
268.03745	7.2
286.70532	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.16
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.0
61.98838	1.3
69.86047	6.0
69.96239	1.0
71.01379	1.7
73.02946	4.3
73.99550	1.0
83.05006	1.1
87.00867	1.4
98.33952	1.2
101.02415	1.2
113.02408	1.1
115.88964	1.2
118.99438	1.0
121.02966	1.8
182.99721	1.0
205.15952	16.3
211.03838	1.2
223.17035	100.0
223.20630	3.8
224.17323	4.6
249.14928	6.8
252.04289	3.3
259.41754	1.2
267.03040	1.4
267.06641	3.9
267.11169	5.8
267.16010	61.7
267.19119	2.9
268.03760	4.1
268.16388	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	267.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53649	0.7
55.01870	4.7
57.03444	3.3
58.00587	2.8
58.17961	0.7
59.01378	100.0
61.98830	16.7
69.84840	1.5
69.85242	1.9
71.01380	59.5
72.99315	2.2
73.02946	21.0
75.00869	1.1
83.01380	8.2
85.02946	26.1
87.00885	4.0
87.04520	1.6
89.02441	24.2
94.27382	0.7
95.01405	4.4
97.02932	2.0
99.00893	6.5
101.02442	54.7
102.02779	0.9
105.05574	9.0
113.02453	26.9
119.03508	8.4
125.02425	1.3
129.01961	0.9
133.05081	1.0
135.06612	0.7
143.03539	3.6
159.02977	4.9
161.04544	36.3
161.96213	0.7
179.05598	2.9
200.80411	0.8
207.08771	1.7
254.03506	0.7
267.07224	4.1
267.10834	31.3
267.23480	0.8
268.11163	1.5
289.26138	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0722
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
55.01868	0.8
57.03447	3.7
57.22016	0.2
58.00587	0.8
58.63121	0.2
59.01375	21.6
67.01885	0.3
68.99816	0.6
69.03450	0.6
71.01377	30.2
71.52515	0.3
72.01721	0.4
72.99305	3.2
73.02955	1.1
75.00867	12.0
83.01381	1.0
84.02168	0.7
85.02946	29.1
86.03300	0.4
87.00871	12.2
89.02439	9.5
91.04021	1.0
95.01385	5.2
96.01737	0.2
96.95998	1.5
99.00874	7.9
99.04475	0.2
100.01258	0.2
101.02435	1.5
103.00368	2.7
105.01939	0.8
111.00871	0.4
112.01672	0.8
113.02445	37.0
114.02771	0.6
115.00350	1.9
117.01932	3.1
119.03510	0.2
127.04013	0.3
129.01941	2.0
131.03485	1.2
132.03027	0.3
139.00331	0.2
149.04517	0.8
152.91759	0.3
157.01427	0.6
175.02458	1.9
178.93407	0.3
191.05663	0.8
195.47429	0.2
205.07219	0.8
207.05038	1.7
223.08287	0.2
231.05092	0.2
237.06218	0.4
249.02203	0.2
249.06110	4.1
250.06340	0.2
267.07184	100.0
267.94739	0.3
268.07507	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	267.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
59.01374	13.2
61.98829	100.0
63.47585	0.6
68.99843	0.6
71.01381	13.6
71.22343	1.3
71.22678	0.7
72.99298	1.4
73.02949	4.0
74.07283	0.5
75.00877	2.2
79.37411	0.6
83.01422	1.1
85.02950	9.1
87.00871	3.4
88.04050	2.4
89.02448	5.2
95.01384	1.4
99.00887	2.1
101.02418	5.1
102.03449	0.5
105.05572	0.9
108.02030	1.2
113.02457	9.9
115.00380	0.8
117.01872	0.6
129.01894	0.6
132.03029	1.2
133.03351	1.0
138.31378	0.7
140.54651	0.6
151.02603	7.6
161.04559	3.6
179.05658	0.6
204.08759	1.4
213.05644	0.5
217.73924	0.7
237.90231	0.7
245.42796	0.5
249.06134	0.7
267.07214	23.2
267.10736	3.1
268.07715	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.9
59.28058	0.4
71.53042	0.6
71.53410	0.5
77.06670	0.4
79.95726	7.7
80.96522	1.9
82.46257	0.4
83.00844	0.5
83.35063	0.4
85.02918	0.6
93.34550	0.5
96.96011	0.4
100.04027	0.5
102.42054	0.4
106.98059	3.2
111.64857	0.4
124.00735	100.0
125.01126	0.4
166.01781	12.8
185.16411	0.4
222.53967	0.5
265.62488	0.4
266.10645	65.4
267.11063	2.0
270.10663	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.066
Annotation	Formononetin
Peak:m/z	Relative Intensity
55.12461	0.3
59.01389	0.3
69.48405	1.2
69.48815	0.5
87.21813	0.2
91.01926	0.7
108.02129	0.3
115.07271	0.3
132.02168	8.1
135.00885	3.4
153.01869	0.4
164.28598	0.3
167.04991	0.6
180.05765	0.4
183.04633	0.3
195.04498	7.0
196.05202	0.6
208.05263	3.7
223.03976	20.7
224.04721	6.2
239.03505	0.8
244.89378	0.3
251.03471	13.1
252.04248	100.0
253.04597	5.5
267.06589	95.1
267.12466	0.7
267.15930	0.4
268.03760	1.8
268.06934	6.5
270.17688	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2171
Annotation	(7S)-Hydroprene
Peak:m/z	Relative Intensity
59.01374	1.4
71.01394	0.5
84.20443	0.3
85.02946	0.3
89.02450	0.7
93.98897	0.3
96.96011	17.5
101.02454	0.5
103.04005	0.7
108.17879	0.3
163.04039	0.3
202.99876	0.3
232.32350	0.3
247.20763	0.4
265.09293	2.2
265.14828	14.5
265.21707	100.0
266.15164	0.7
266.22028	5.5
278.48877	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
57.03449	2.7
58.00584	1.2
59.01376	39.3
61.98822	1.1
69.95348	2.2
71.01377	21.9
71.93020	0.4
72.99306	2.3
73.02938	1.9
73.83698	0.4
77.91971	0.5
79.36422	0.4
81.08447	0.4
83.01385	1.5
84.72421	0.4
85.02946	21.1
87.00878	2.0
88.04038	7.4
88.14396	0.4
89.02442	22.6
94.43653	0.5
95.01385	1.5
96.96036	0.5
98.02458	0.6
99.04520	1.7
101.02438	14.1
102.94261	0.4
103.04007	27.4
113.02448	9.5
115.00347	1.5
117.05558	3.8
117.85444	0.4
119.03493	8.3
131.03485	0.8
132.03030	7.9
133.05070	4.1
143.03481	0.9
145.05063	0.8
149.04509	0.4
151.04059	0.8
161.04558	1.5
163.03954	0.6
165.06657	2.2
179.05603	1.5
265.09271	100.0
266.06659	2.5
266.09619	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	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
65.99890	0.5
69.36905	3.8
71.01386	0.9
73.02964	1.0
97.82317	0.4
101.02479	0.8
105.70060	0.5
120.05452	0.5
154.27626	0.5
161.38577	0.5
175.07709	0.6
192.83054	0.6
263.02179	0.7
263.12930	1.9
265.50220	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00548	0.5
54.18144	0.6
59.01377	100.0
60.01716	0.6
71.01382	0.9
71.17715	0.5
71.53079	0.8
73.02952	1.0
96.94662	0.6
101.08914	0.5
106.06161	0.5
118.70102	0.5
121.03664	0.5
263.05530	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1134
Annotation	Ilicifolinoside A
Peak:m/z	Relative Intensity
55.01878	6.7
57.03444	5.1
58.00576	3.0
59.01375	76.9
60.01718	1.2
69.03439	1.0
71.01377	100.0
71.05023	1.0
71.52531	1.8
72.01718	1.7
72.66406	0.7
72.99315	4.0
73.02943	26.1
73.30210	0.7
75.00878	4.5
75.49679	0.7
81.03439	1.0
83.01389	11.5
84.56454	0.8
85.02947	41.7
86.03293	1.1
87.00876	4.8
89.02444	28.0
95.01377	8.0
96.04568	0.9
97.02953	2.3
99.00870	11.6
101.02438	84.8
101.06080	1.7
111.00922	0.7
113.02441	42.7
115.04018	1.2
119.03508	9.3
125.02410	2.4
129.01906	2.0
138.17307	0.8
143.03474	5.1
159.02966	7.7
161.04550	51.8
169.08490	1.0
179.05638	2.3
205.03525	1.7
240.96292	0.9
263.05771	1.5
263.11325	32.6
264.11606	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2015
Annotation	KDC 165
Peak:m/z	Relative Intensity
59.01378	2.4
61.98806	0.4
70.45345	0.3
71.01362	0.5
175.04106	0.3
190.99855	0.3
192.75813	0.4
219.21201	0.7
223.23830	0.4
245.19151	0.5
263.20129	100.0
264.20471	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	264.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80508	0.7
59.01385	3.7
64.80573	0.7
65.17245	0.7
69.08990	0.6
69.50947	0.6
69.64127	3.8
69.74005	0.7
70.02979	17.4
71.01387	4.2
72.00911	1.5
85.02976	1.0
86.02476	0.9
86.64587	0.7
91.05532	5.6
93.36908	0.7
96.95982	0.8
96.99297	6.1
114.01967	100.0
115.02299	1.0
116.05077	0.8
117.03464	7.7
118.06671	1.5
129.01926	2.3
134.06123	24.3
144.08179	1.5
146.04597	4.1
146.06122	1.8
160.07678	3.4
188.07161	3.9
232.06114	13.5
232.08395	1.0
264.08783	0.7
265.09552	0.9
269.33588	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
57.03444	3.8
58.00579	1.5
59.01376	39.4
61.98843	1.4
63.39740	0.5
70.20016	1.2
70.20364	1.9
71.01378	21.9
72.99313	2.0
73.02950	2.0
85.02944	23.4
85.34463	0.8
87.00880	2.5
87.04501	1.0
88.04044	2.8
89.02440	21.6
95.01397	1.9
98.02454	0.9
99.00860	1.1
99.04517	1.5
101.02438	14.5
103.04007	30.0
113.02441	8.6
115.00388	1.3
117.05543	0.9
119.03492	9.3
129.01869	1.0
131.03462	1.2
132.03026	3.5
132.47479	0.8
133.05070	2.0
138.05536	1.5
143.03502	0.9
161.04539	1.2
165.06667	5.2
169.09904	0.8
179.05582	1.3
191.03896	0.7
221.09213	0.6
247.91515	0.7
265.09274	100.0
266.06693	2.2
266.09723	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	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25149	0.2
56.24280	0.3
59.01377	100.0
60.01706	0.7
71.01403	0.5
71.26509	0.4
71.26849	0.4
73.02946	0.8
76.07735	0.3
81.55864	0.3
94.02610	0.3
101.02415	0.6
138.44887	0.3
175.88867	0.3
191.10918	0.3
246.65404	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01723	0.7
69.03430	0.5
69.53857	1.1
69.54268	2.7
71.01388	1.0
73.02934	0.7
89.21261	0.5
101.02459	0.7
107.94965	0.4
120.84359	0.4
129.83022	0.5
185.80823	0.5
219.10461	0.7
244.31262	0.5
263.09332	1.7
263.12900	1.3
263.16507	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.2
84.04543	0.9
87.02744	2.0
105.44044	0.2
115.05899	0.4
131.05348	1.2
133.06926	100.0
134.07243	1.8
135.02126	0.2
146.64903	0.2
161.06918	0.2
209.73880	0.3
262.11157	12.6
263.11560	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
64.70217	0.5
65.36086	0.5
72.02160	0.4
73.02950	0.9
89.32965	0.5
95.28671	0.5
118.38367	0.4
230.64891	0.4
244.26477	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69806	0.4
59.01376	100.0
60.01716	0.6
69.21409	3.5
69.21808	1.1
71.01408	0.5
71.67926	0.4
73.02951	0.9
101.02454	0.9
196.09811	0.4
263.09726	0.5
263.12885	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06175	0.4
53.33672	0.4
59.01375	100.0
60.01713	0.4
70.02956	0.6
71.01390	0.7
71.53499	0.4
73.02964	0.8
83.01423	0.6
90.99375	0.4
101.02477	0.4
102.76493	0.4
102.91386	0.4
104.67694	0.4
113.02455	0.7
114.01970	4.6
134.06119	1.5
137.02496	0.6
142.80066	0.5
146.04631	0.6
148.94319	0.4
152.66112	0.4
155.95518	0.5
163.07681	0.6
232.06119	1.0
263.05948	1.2
263.12897	0.8
279.94257	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84725	0.5
50.92056	0.4
55.98867	0.4
59.01377	100.0
60.01693	0.7
66.12092	0.5
66.87949	0.4
69.54060	2.8
70.23269	0.5
71.01378	1.1
71.04642	0.4
73.02966	0.9
88.69296	0.4
90.55275	0.4
95.55659	0.4
98.03743	0.4
101.02460	1.8
113.02467	0.6
155.25357	0.5
163.04022	0.7
163.07614	0.6
181.05058	0.8
219.10428	0.7
263.09436	1.1
271.55957	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1344
Annotation	(Z)-3-Hexenyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01868	4.2
57.03452	4.0
58.00597	5.6
58.02967	0.8
59.01378	100.0
69.03471	0.9
70.02991	1.5
71.01379	87.7
71.53590	1.2
72.99311	7.0
73.02944	15.3
74.02465	13.0
75.00871	1.1
83.01392	9.4
85.02950	28.3
86.00056	1.2
86.02489	0.9
87.00890	3.3
89.02444	61.2
95.01393	5.2
98.02491	4.5
99.00875	5.0
99.08147	1.6
101.02443	54.2
102.02786	1.0
111.00906	1.1
113.02451	31.8
116.03525	6.1
117.05601	2.2
119.03500	18.8
125.02476	1.0
128.03571	0.9
129.02000	0.8
131.03569	2.3
132.04599	5.3
132.05461	1.0
133.06920	1.7
143.03470	3.4
144.04552	1.6
159.03026	2.5
161.04549	16.1
181.12341	0.9
193.81360	0.7
197.60629	0.6
201.06688	1.7
201.11304	6.8
225.11340	2.7
243.12372	1.6
261.09128	5.7
261.13412	23.2
262.13824	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49452	0.7
57.03442	4.0
59.01376	6.5
69.03461	3.5
69.29495	4.0
69.29924	2.4
70.02978	5.9
71.01381	6.0
72.00912	1.2
74.02491	1.0
75.00844	1.0
78.03489	0.8
81.02174	0.9
82.02981	1.2
84.04539	1.0
85.02946	48.9
86.02489	1.8
86.03286	1.2
86.06081	1.5
87.00887	1.0
87.04523	5.7
87.92525	2.6
95.01405	1.0
96.00900	1.6
96.04548	100.0
97.02946	6.1
97.04875	2.0
98.02483	3.0
99.00863	4.7
101.02478	1.1
103.92007	3.1
104.92796	0.9
108.04603	1.0
111.04520	1.2
112.04047	5.7
113.02462	0.9
114.01938	0.8
114.05581	1.3
115.04024	4.2
116.03487	0.9
126.05589	1.8
128.03540	8.2
129.01936	13.5
129.03818	0.9
132.04576	1.2
133.04895	2.7
140.03511	2.6
141.01912	4.7
142.01453	17.8
144.02968	1.1
145.46339	0.7
158.04579	21.7
158.05856	0.9
159.02956	3.3
172.02516	2.6
199.94142	1.4
200.05702	1.3
202.03548	7.3
202.10817	0.8
219.05078	2.1
261.94086	1.1
262.05856	4.2
262.08881	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	259.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71684	0.6
64.59596	0.5
71.13547	1.2
80.02676	0.9
81.03457	1.3
83.05016	6.0
84.02148	3.4
95.05041	0.9
120.28104	0.5
125.06036	0.8
135.86301	0.6
163.11263	4.4
165.12823	3.1
181.12276	1.0
191.10794	1.4
209.11809	100.0
210.12172	4.8
227.10728	1.1
227.12863	12.5
238.21526	0.6
282.25366	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0879
Annotation	(+)-Neothramycin B
Peak:m/z	Relative Intensity
54.90080	0.9
58.02968	10.4
59.01358	4.3
70.02979	10.4
72.04537	2.8
73.88229	0.9
74.02470	100.0
84.04545	5.7
86.02466	1.3
92.05047	3.9
98.02473	27.8
104.35636	0.9
116.03534	54.9
118.02991	1.2
120.04563	1.3
128.03537	19.9
130.06604	2.7
131.02821	1.8
131.03760	21.0
132.04553	51.4
144.04533	11.0
146.06094	1.9
146.44095	1.2
157.07706	12.6
158.06108	13.6
160.04028	1.2
175.08763	13.0
189.06636	1.4
199.08727	2.9
201.06673	16.1
217.09790	3.9
219.07730	17.0
243.07640	3.8
261.08768	71.8
262.09085	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	261.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39540	0.6
56.74731	0.7
59.01382	6.6
69.71622	3.7
69.71909	1.0
70.02976	11.0
72.04545	4.1
74.02470	100.0
75.02805	0.9
98.02475	24.6
110.03106	0.6
116.03534	53.6
128.03535	7.6
128.11200	0.7
132.04550	31.5
133.04887	1.1
144.04541	7.1
159.21642	0.6
173.07144	1.0
175.08669	1.5
199.08681	0.7
201.06689	12.8
201.64859	0.7
214.84978	0.8
217.09727	0.8
219.07704	3.2
233.31900	0.8
243.07779	0.8
253.11627	0.7
261.08759	34.0
262.09018	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	259.0223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	11.1
59.01371	15.1
60.29934	4.0
63.60709	3.7
66.96148	3.6
67.85459	3.8
69.75536	10.5
69.75925	8.2
70.01730	3.8
71.01374	32.5
72.04565	4.3
72.99318	8.6
73.02924	5.0
78.91890	8.2
78.95903	19.7
83.01376	15.3
85.02967	9.9
86.11969	3.7
87.00903	11.2
87.05631	8.0
88.98827	4.6
96.95993	3.9
96.96960	10.2
98.20650	5.0
98.28043	4.2
99.00880	51.0
111.00883	42.8
112.04023	5.2
112.98804	100.0
113.52667	3.8
115.00350	16.1
123.51644	3.6
129.01955	26.1
132.06714	3.9
161.62286	4.1
173.00925	26.2
173.02225	4.1
177.31076	4.2
191.02008	7.8
213.05115	11.6
223.04639	5.0
241.01224	5.7
259.02151	10.2
259.05740	4.2
260.07608	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	259.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67015	21.3
59.01379	55.1
61.98826	54.8
74.04323	21.3
90.14423	21.7
96.90763	22.5
101.58345	25.2
102.07867	24.1
171.67656	25.6
183.37766	26.0
209.11819	100.0
209.78807	23.3
259.02438	42.4
259.19214	26.0
259.93472	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	249.1494
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
52.90497	0.9
59.01382	11.1
61.98814	1.7
67.28484	0.9
68.99564	2.5
69.03454	28.7
71.01378	2.2
83.05022	2.8
93.03432	1.6
95.05024	2.5
97.06535	1.2
102.65759	1.2
110.21837	0.9
111.08123	1.4
112.98597	4.6
117.03463	1.6
119.05009	1.0
127.66492	1.0
134.07391	2.0
138.76628	0.9
149.09694	1.5
149.13312	2.9
151.11293	1.1
154.97353	3.9
161.02481	1.0
161.13388	1.4
167.10724	2.5
171.10269	1.5
187.14915	4.5
193.12334	6.2
204.04256	8.0
205.12343	10.8
205.15967	11.5
219.06696	4.4
221.15480	14.1
231.13895	31.0
232.14244	1.5
248.97325	4.6
249.07722	3.1
249.14943	100.0
250.15163	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.92707	0.6
61.98820	3.5
70.64247	1.7
71.01367	1.3
73.02922	1.4
77.78460	0.7
85.02965	2.4
87.00876	0.7
95.92910	0.7
97.02976	0.6
99.00895	1.0
101.02446	2.5
102.63828	0.8
155.03488	0.8
161.04536	6.4
193.07146	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	253.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98825	1.4
69.95420	2.6
70.42077	0.5
71.01390	1.5
73.02950	1.7
84.65258	0.6
85.02956	1.9
87.00886	1.2
99.00876	1.8
101.02452	2.7
125.02433	1.1
135.41371	0.7
141.01939	0.7
143.60635	0.5
161.04546	6.7
187.07338	0.6
193.07153	24.9
219.69958	0.6
235.77342	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2172
Annotation	(Z)-9-Tetradecen-1-ol acetate
Peak:m/z	Relative Intensity
53.13341	5.8
59.01378	100.0
67.43903	5.5
71.27144	10.5
73.31294	7.2
74.03886	6.1
126.74283	5.9
130.03917	6.9
155.31419	6.6
177.05138	6.4
193.07132	23.4
226.31393	7.5
253.21658	45.2
253.33357	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	249.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51687	0.6
54.25027	0.5
57.24641	0.6
58.02972	5.4
70.04293	1.3
70.04690	0.8
80.29502	0.5
80.72963	0.6
88.04036	2.4
92.05038	3.2
116.05089	2.6
118.06625	13.8
118.85151	0.5
128.05063	18.9
130.79395	0.5
131.03773	14.6
132.03029	3.5
144.04550	100.0
145.04942	2.8
146.06120	45.5
147.06451	1.5
152.14186	0.5
172.04033	8.5
190.05087	80.5
191.05411	2.7
209.54845	0.7
246.94412	0.5
249.08864	4.6
250.07141	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1341
Annotation	1-(S)-Methylbutyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01873	12.2
56.94097	0.9
56.99448	1.0
57.03448	7.9
58.00576	2.8
59.01376	75.9
60.57708	1.0
62.43786	0.9
68.98980	1.0
69.03442	0.9
71.01376	100.0
71.53193	0.9
72.99298	3.4
73.02940	44.4
75.00847	2.7
83.01382	21.6
83.01856	0.6
84.02145	0.9
85.02943	54.0
85.06575	3.1
86.00095	1.9
86.03238	0.9
87.00869	5.0
87.08151	1.6
89.02438	7.5
95.01375	8.6
97.02930	2.5
99.00868	17.9
101.02437	97.3
102.02737	1.9
111.00855	2.1
113.02440	43.9
114.56999	0.9
119.03488	0.9
119.05043	5.6
121.02823	1.1
125.02455	2.7
129.01935	2.5
143.03474	3.3
144.04478	1.5
159.02992	8.6
161.04536	29.0
161.09804	1.3
163.04010	4.6
190.05035	1.8
204.04256	2.5
249.07872	2.4
249.10892	2.3
249.13409	36.4
249.15979	2.1
250.14061	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56603	1.1
55.01878	12.6
57.03457	8.0
58.00586	2.0
59.01378	73.7
67.80064	1.0
68.99780	1.4
69.03461	1.3
71.01380	87.2
72.01709	1.0
72.99303	4.3
73.02947	40.6
75.00874	2.6
76.90063	1.2
83.01381	24.3
85.02946	53.1
85.03468	2.5
85.06564	2.7
86.00076	2.3
86.14643	1.1
87.00871	4.1
87.08138	2.9
88.04034	1.5
89.02432	4.7
95.01371	5.4
96.95954	2.0
97.02946	2.9
99.00882	16.5
101.02440	100.0
111.00874	2.9
113.02442	39.4
119.04970	1.2
125.02399	2.2
129.01884	2.9
131.03656	1.1
135.75456	1.1
143.03487	3.6
144.04565	2.1
157.08772	1.6
159.02962	5.8
161.04544	27.1
163.03998	1.6
201.98804	1.0
202.86743	1.0
204.04295	3.0
205.03528	1.1
205.08574	2.0
229.14679	1.7
231.06624	1.3
234.05267	1.2
249.07976	15.1
249.13390	43.5
250.13988	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	245.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
58.00605	1.5
59.01400	1.4
74.02493	2.2
80.02712	0.8
81.03466	0.9
83.05025	5.2
84.02195	1.4
96.36721	0.7
98.02464	0.6
116.03500	0.8
116.05087	1.2
119.99549	0.6
125.09718	2.8
127.11293	6.1
139.11279	1.4
153.71227	0.7
155.10803	2.0
163.11244	3.1
165.09213	1.7
165.12837	2.2
171.10243	3.0
183.10239	1.4
191.10776	1.0
199.09795	2.3
201.11313	85.9
202.11647	2.5
203.08217	1.9
204.46095	0.7
209.11816	100.0
210.12099	3.8
213.06671	0.9
227.12877	14.9
245.09377	2.0
245.13867	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	247.1702
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
53.24636	0.1
54.79670	0.1
57.03435	0.2
59.01357	0.4
60.34031	0.1
61.98848	0.3
64.63729	0.1
66.55563	0.1
69.31024	1.0
71.01378	3.3
76.92288	0.1
78.89674	0.1
79.95731	0.2
88.03410	0.1
98.20619	0.2
99.78047	0.1
103.03996	1.3
157.05032	0.6
176.99384	0.2
184.00180	1.2
186.95605	0.6
195.38091	0.1
205.15932	0.4
208.20732	0.1
220.16901	0.3
222.96526	0.1
231.13945	0.4
232.14621	0.2
233.50758	0.1
247.17010	100.0
248.07957	1.2
248.17365	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	245.1393
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
55.90760	0.5
57.03433	2.1
70.48066	1.7
71.05043	0.5
83.05007	0.6
94.53837	0.6
97.06607	1.2
97.07246	0.5
111.08144	3.3
115.08665	0.5
125.09650	1.0
155.14366	1.7
163.11237	0.6
165.12839	19.6
166.13159	0.8
181.12309	0.7
183.13919	16.8
199.13402	1.2
201.14964	8.4
202.15318	0.7
207.10162	0.7
209.11826	15.6
213.60205	0.6
225.11342	1.2
227.12880	42.0
228.13173	1.3
243.12163	0.6
245.13913	100.0
246.14293	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	245.1392
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
59.01373	35.6
71.01367	1.0
71.53041	0.7
71.53500	1.2
83.05022	0.8
96.96014	1.1
99.00775	0.8
108.33469	0.6
113.02396	1.0
114.03667	0.7
116.05106	1.0
141.12836	1.3
163.65544	0.7
165.12790	5.5
166.05089	2.2
167.10675	0.8
183.13885	32.9
184.14169	1.1
185.11807	100.0
186.12128	3.5
199.13344	8.2
201.05511	1.1
209.11823	10.5
227.12872	23.0
228.13232	0.7
245.04399	1.8
245.08240	2.9
245.13914	82.7
246.14241	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	245.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.1
57.72015	0.4
59.01389	1.4
71.52414	0.5
78.95945	0.7
80.19161	0.5
81.03464	1.8
87.00885	1.4
89.02470	0.5
93.03464	0.6
95.05042	1.2
97.02940	0.7
97.06610	0.7
100.76899	0.4
109.02948	2.3
113.63354	0.4
116.05078	0.9
123.04522	1.2
127.07656	2.4
137.02412	2.3
142.06616	100.0
143.06934	3.7
144.73082	0.5
146.03746	0.9
147.04495	0.9
155.07135	1.3
159.04494	2.3
160.05304	0.9
161.06094	2.9
162.03210	0.9
175.04016	1.9
175.07649	1.7
185.06142	0.5
186.05583	16.3
187.03986	3.7
188.04697	2.6
201.05331	1.0
202.06396	0.7
203.07137	8.2
212.04788	0.8
217.05045	1.0
227.07141	1.3
230.05673	0.9
245.04398	2.1
245.08130	27.2
246.08412	1.8
259.16754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1182
Annotation	Lagopodin A
Peak:m/z	Relative Intensity
54.43602	0.5
59.01364	1.9
61.98830	7.4
89.37143	0.5
93.03445	0.8
117.03461	23.2
117.90684	0.6
118.04316	0.7
119.05024	97.8
120.05360	2.4
121.02934	5.9
121.14405	0.5
123.04528	1.4
132.05791	1.1
133.02962	1.4
135.63161	0.5
145.02950	43.2
146.03334	1.3
152.51497	0.5
162.03218	1.1
163.04002	45.3
164.04262	0.7
168.10710	0.5
197.29880	0.6
199.90128	1.3
201.05652	0.7
245.11800	100.0
245.19006	12.0
245.89505	1.9
246.12091	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	245.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.6
58.00588	5.0
59.01377	16.4
70.88889	2.2
71.01366	11.5
72.02168	5.0
73.02918	1.8
84.02171	1.3
85.02987	2.2
87.00866	20.1
89.02448	7.4
95.05027	3.5
97.06583	11.7
97.31927	1.2
99.08154	8.3
101.02483	2.3
105.01891	2.8
107.05025	1.5
108.02169	2.7
109.06589	4.2
112.01670	3.4
117.49955	1.4
118.05105	5.0
125.06074	3.0
127.07649	100.0
128.07962	2.6
129.01944	3.2
129.09232	4.5
130.08701	1.4
137.06125	6.3
139.07622	6.4
144.00732	1.6
147.02948	4.1
149.06096	1.4
155.07137	37.5
157.08765	3.2
167.07127	4.8
173.09271	1.4
182.19012	1.2
185.08177	5.0
196.79787	1.2
199.09734	1.7
209.15665	1.2
245.10236	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	243.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33787	0.4
61.98820	2.2
63.38099	0.4
69.03435	0.5
71.30429	1.2
87.59951	0.5
167.14462	0.6
183.13898	8.1
193.12366	2.3
204.97746	0.5
211.13380	100.0
212.13721	3.7
243.06602	1.8
244.88200	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.9
57.15255	1.0
58.00583	7.3
58.02965	10.5
59.01379	19.2
59.21675	1.0
62.05495	1.2
68.99799	1.2
69.18849	10.6
71.01383	16.3
72.02157	3.6
72.99300	1.8
73.02938	3.0
81.07082	1.8
83.01370	1.3
84.02135	1.4
85.02944	1.7
87.00868	21.7
88.04039	6.1
89.02451	8.7
95.05022	4.8
96.91994	1.1
97.06587	13.5
98.03749	1.1
98.20746	1.9
99.04533	1.3
99.08149	10.5
101.02419	2.8
105.01923	2.6
107.04985	1.5
108.02164	2.5
109.06560	3.8
111.08179	1.7
112.01675	1.4
113.03585	1.4
125.06052	4.0
127.07648	100.0
128.07994	1.5
129.01898	2.3
129.09232	6.3
130.08716	4.4
131.08261	2.0
132.04437	1.3
137.06084	8.7
139.07642	8.9
147.02979	2.4
151.07654	1.5
155.07138	38.1
157.08678	3.2
167.07092	4.0
169.08612	1.4
173.09305	16.4
185.08212	5.1
245.04477	2.4
245.11255	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	243.1236
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
53.48808	0.5
55.71668	0.5
57.40422	0.6
59.01377	1.5
63.35754	0.5
69.30707	3.7
69.31135	1.5
71.01368	1.5
71.05008	2.3
83.04990	0.7
84.16423	0.7
97.02954	2.6
97.06583	0.8
98.19899	1.1
99.00874	9.6
100.01599	0.7
102.32332	0.6
109.06581	1.0
110.03711	1.4
125.09721	3.4
127.11296	2.7
139.11307	0.6
141.67944	0.6
142.02654	0.8
153.12863	0.9
155.14474	0.8
163.11250	6.2
181.12344	15.6
183.10211	1.1
184.06044	0.6
197.11787	1.9
199.13388	37.7
200.13766	1.2
207.10255	24.3
208.10493	1.2
225.11308	56.7
226.11649	2.2
243.12346	100.0
244.12753	3.1
244.52711	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
53.36546	0.7
55.00732	0.7
57.03447	6.2
59.01392	3.2
60.95918	0.7
61.80983	0.7
67.45432	0.7
69.03463	1.1
69.81184	4.2
71.01392	2.1
71.05018	11.5
72.99289	1.1
75.00880	1.3
79.05544	1.1
83.05033	1.1
84.02183	1.1
85.06587	8.8
93.45086	0.8
95.05048	1.1
97.06624	2.5
98.20628	1.4
106.37064	0.8
109.06604	2.6
111.00890	1.0
111.08155	6.8
112.59782	0.7
115.00380	0.8
115.04057	0.9
121.06652	4.0
123.08135	1.4
125.09713	8.1
135.08170	1.0
136.79971	0.8
139.07626	4.2
143.07164	2.5
149.06046	3.8
153.12866	2.9
163.11221	1.9
166.06352	1.2
167.07092	3.9
170.31485	0.9
171.10318	3.9
181.08784	2.0
181.12341	18.6
182.12706	1.1
187.25349	1.0
197.11818	4.9
199.13387	100.0
200.13759	2.7
207.10324	1.7
213.07758	0.8
225.07591	1.0
225.11290	8.5
243.02914	1.2
243.12350	64.2
244.12624	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1235
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
51.26474	0.5
55.06893	0.5
57.03425	0.7
59.01352	1.1
60.36937	0.6
69.03451	0.6
69.71934	1.3
69.72324	1.6
71.01366	0.8
71.04990	2.5
77.16745	0.5
83.04986	0.7
97.02943	6.4
97.06559	1.6
98.20609	0.7
99.00878	19.0
109.06565	1.2
110.03707	2.0
110.18893	0.6
111.57015	0.6
119.07510	0.6
123.08104	0.6
125.09695	5.1
127.11275	1.2
135.08151	0.7
136.05264	1.3
142.02637	1.8
153.12846	0.9
155.14474	1.3
159.99030	0.6
163.11264	7.9
171.10242	0.7
181.12326	22.8
182.12613	0.8
197.11800	1.7
199.13382	20.1
200.13701	0.9
207.10239	43.8
208.10590	1.7
225.11298	79.9
226.11568	4.0
243.12344	100.0
244.12657	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	243.1236
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
59.01366	0.8
69.25450	4.0
71.05024	2.1
71.23069	0.4
83.04995	0.6
97.02936	1.9
97.06588	1.0
97.18893	0.5
98.19809	0.7
99.00878	10.6
99.01537	0.6
109.06554	0.8
110.03732	0.7
125.09750	3.5
135.08136	0.8
136.05247	0.7
142.02725	0.8
153.12901	0.7
155.14439	0.9
159.04434	0.5
163.11272	4.3
170.34325	0.4
171.10269	0.5
181.12334	12.9
182.12723	0.5
197.11853	1.5
199.13397	19.5
207.10249	24.4
207.50461	0.4
208.10585	1.1
225.11307	44.4
226.11577	1.7
243.12355	100.0
244.12624	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	243.1236
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
57.03457	4.1
59.01375	25.8
61.98827	100.0
67.01888	12.7
69.29440	3.2
71.01390	14.7
71.05000	4.9
71.52734	5.1
73.02950	5.6
79.46011	2.9
80.02692	6.5
81.03468	14.5
83.05033	12.9
84.02168	5.7
93.03419	5.0
95.05005	5.0
96.30428	3.0
97.02941	21.8
99.00874	5.7
102.93384	3.1
107.05044	3.4
109.06589	68.6
110.02474	5.0
110.03747	4.5
111.00907	13.2
121.06594	9.7
125.09740	8.4
127.11297	4.1
135.08176	14.7
136.05327	5.1
137.09706	5.9
142.02711	13.2
154.99843	3.5
155.10788	10.1
161.09683	5.8
163.11287	34.8
165.09221	4.7
171.10233	7.1
179.10855	4.1
181.12302	17.6
183.10359	4.3
183.23660	3.0
185.11824	15.0
197.90695	16.7
199.09744	26.7
199.13284	3.9
207.10260	83.1
210.66968	4.3
211.13246	4.1
215.12814	25.9
225.11279	37.4
243.12302	24.3
243.15916	10.6
243.19699	7.6
243.89833	18.9
247.48015	3.5
263.04590	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	243.1235
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
57.03424	1.6
59.01383	6.2
61.98821	2.9
63.34711	0.9
67.01878	1.4
70.13166	4.3
71.01377	2.2
71.05013	2.6
73.02949	2.2
81.03458	2.0
83.05008	1.9
94.05383	1.2
97.02946	4.3
97.06561	2.1
99.00864	10.1
103.78267	1.1
109.06590	11.8
111.00892	1.4
118.50084	1.2
121.06557	1.6
121.21209	1.1
123.08217	1.3
125.09718	8.5
127.11302	2.8
136.05341	1.2
139.11232	1.3
142.02727	3.2
153.12808	1.6
157.02870	1.3
163.11281	9.2
181.12315	17.2
183.13733	1.5
185.11795	7.2
197.11757	1.7
199.03934	1.2
199.13379	31.9
200.13684	1.7
207.10240	44.7
208.10532	1.8
211.13377	21.2
225.11298	66.3
226.11758	2.6
243.02769	2.7
243.06638	2.9
243.12306	100.0
243.15999	25.8
244.06288	1.4
244.12663	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	243.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.2
61.98544	0.4
61.98829	2.9
67.53006	0.4
69.47075	3.3
70.14919	0.4
71.01376	0.9
77.67884	0.4
82.02987	1.2
83.05035	2.4
87.00874	100.0
88.01207	0.9
88.02547	0.5
93.03461	7.8
94.53654	0.4
98.20619	0.6
99.00882	0.5
109.02960	1.3
110.02465	3.1
111.04520	7.3
112.98821	1.3
121.02914	0.4
137.02470	3.4
139.04059	0.7
142.99879	0.6
152.03592	0.8
153.05565	0.5
155.03487	1.0
165.01900	1.1
167.44377	0.4
173.00862	0.6
195.06642	1.2
199.05954	0.8
200.05585	1.0
243.05203	1.7
243.10020	0.9
244.08369	0.5
250.40300	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0621
Annotation	Uridine
Peak:m/z	Relative Intensity
50.41137	0.5
55.01877	0.8
56.70580	0.6
57.03436	0.9
59.01368	2.5
66.03481	12.6
68.01407	3.5
71.01376	4.6
71.51598	0.9
72.99313	0.7
73.02925	0.7
74.02481	0.8
77.36214	0.6
82.02982	27.7
83.01375	2.3
84.04551	2.0
85.02957	1.8
87.00911	1.1
89.02438	1.3
94.02992	2.5
96.04552	1.9
97.02939	0.6
98.02453	0.9
98.06098	1.2
99.00892	3.9
100.04060	0.9
106.67854	0.6
108.04543	2.4
110.02473	100.0
111.00862	1.5
111.02026	7.9
111.02780	1.6
112.04052	2.9
112.98807	7.6
117.01948	1.5
122.02470	7.9
124.04044	3.2
126.05617	2.0
127.05135	0.8
128.03535	6.4
129.01929	2.3
132.02953	0.6
138.01959	1.0
140.03529	10.8
141.10313	1.3
142.99849	6.9
145.01424	0.7
152.03520	18.7
153.03047	11.6
164.03549	0.7
167.08286	1.1
169.09834	1.7
173.00890	8.4
181.09845	1.9
182.04550	1.3
182.08307	0.9
183.04126	0.6
199.10808	1.1
200.05634	45.9
201.05913	1.0
205.03494	3.4
210.98254	2.2
225.08835	4.8
243.00922	1.1
243.06206	39.3
243.09854	20.2
244.06569	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1081
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
55.01860	0.7
56.37029	0.6
57.03443	1.2
61.98845	0.8
69.03458	2.9
69.41896	3.0
69.42321	1.6
71.05012	4.0
83.05058	0.9
100.47617	0.7
123.08175	1.3
123.38499	0.6
125.09737	2.1
139.12794	0.7
151.11311	1.1
153.12856	3.7
161.09721	1.3
179.10764	6.9
179.90756	0.6
183.05302	0.6
195.99713	0.6
197.06047	1.9
197.11826	100.0
198.12215	3.0
208.25519	0.6
223.09764	2.3
241.10811	92.4
242.11171	3.8
252.04614	0.6
259.31699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1444
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
57.01716	0.4
57.03436	1.4
61.98816	1.7
69.03455	0.6
69.32203	2.9
69.32624	0.8
72.06973	0.4
75.72802	0.4
81.03441	0.6
83.05019	3.3
95.05024	2.1
97.06591	10.3
98.19873	0.8
101.20079	0.4
107.12995	0.4
109.06598	1.4
109.90356	0.4
111.08157	10.1
115.46116	0.4
137.09750	0.7
147.11807	1.3
149.09756	0.6
161.31960	0.4
163.11273	3.6
165.12837	100.0
166.13136	3.3
197.15450	26.9
198.15823	0.8
199.40048	0.5
209.11804	3.9
241.14386	2.2
241.18146	0.6
263.04990	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
57.03471	1.3
59.01384	2.3
61.98831	4.1
69.03471	2.3
71.01375	1.0
71.05020	3.7
71.54227	0.9
73.03002	0.7
87.00871	0.7
95.63744	0.7
97.06543	0.9
108.02216	0.6
125.09757	2.0
136.32321	0.7
149.48724	0.6
151.11307	0.7
153.12901	3.4
161.09764	0.8
179.10780	6.0
197.11832	100.0
198.12187	3.7
209.47096	0.7
210.08534	0.6
213.05898	0.6
223.09770	6.3
225.05550	4.4
241.05464	4.6
241.08676	5.3
241.10809	62.4
241.14265	3.4
241.21724	2.2
242.11105	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77166	0.5
59.01380	6.3
60.99296	0.8
61.98835	1.0
62.03980	0.5
67.52105	0.5
69.39889	1.7
69.40308	1.9
81.73872	0.5
82.38586	0.4
83.05018	0.5
88.04034	0.6
89.14434	0.5
93.86376	0.5
97.06590	1.9
98.19846	0.8
135.11783	0.6
135.26859	0.5
151.11264	0.9
153.12843	1.7
157.30151	0.5
161.09659	0.5
179.10773	8.6
182.65759	0.5
195.10251	4.3
197.11819	100.0
198.12219	3.0
241.10815	26.4
241.14583	1.6
241.18080	0.7
241.21796	0.6
242.11009	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1287
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
59.01379	3.7
65.57170	0.4
70.26295	1.7
73.61975	0.5
81.24755	0.4
87.00912	0.6
94.78004	0.5
95.05009	0.8
101.06075	8.6
109.06579	3.9
111.08152	4.9
122.03723	0.6
125.09725	0.9
126.70059	0.5
135.11746	0.5
138.06847	0.8
139.03995	11.8
151.11324	1.0
154.06354	31.7
156.50806	0.5
161.04538	0.9
167.14421	8.9
168.14803	0.5
173.13268	0.4
179.05634	3.1
179.10768	4.4
182.05838	3.9
195.13889	100.0
196.14238	4.1
201.41525	0.5
239.07057	0.8
239.12875	9.7
239.16580	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.108
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
50.05110	0.7
51.18404	0.6
59.01377	100.0
61.98827	2.9
65.03941	1.0
69.03451	1.2
69.61634	4.7
83.05025	1.4
85.02950	0.7
95.04961	1.0
97.06603	1.9
98.20618	1.1
103.57429	0.7
108.02139	1.2
109.02958	1.1
111.04601	0.8
119.05019	28.7
121.06582	3.2
123.04498	1.7
123.08216	1.4
130.04253	0.8
135.08171	0.9
137.09706	1.2
145.06573	4.1
147.04504	1.3
149.09758	0.7
151.07658	4.1
154.10588	0.7
161.02464	4.4
161.09676	1.7
163.07663	6.0
179.10715	4.5
193.31282	0.7
197.11855	2.0
241.10802	70.1
241.14700	2.4
241.21744	2.9
242.11108	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1495
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
55.59262	1.4
59.01380	45.8
61.98840	7.6
69.03452	20.2
69.20245	4.1
69.20672	12.4
71.01378	2.2
73.91287	1.7
75.00867	2.4
85.93527	1.5
88.52412	1.8
89.02447	1.7
97.06583	47.2
101.02435	2.6
109.02947	1.5
110.93869	1.2
112.04908	1.3
121.02942	1.6
121.10234	6.7
123.04525	1.5
123.08158	47.7
129.01929	1.5
139.07692	8.8
147.11824	11.1
149.02423	1.6
149.06032	2.3
161.04523	1.8
164.96437	2.5
167.07144	6.7
175.14880	9.3
179.10779	10.0
191.74025	1.5
193.08624	1.7
193.15898	3.2
219.13853	6.9
224.16650	2.0
237.14937	100.0
238.15349	4.8
239.20197	1.4
246.32701	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31253	1.6
55.39110	1.6
57.03429	2.1
59.01378	100.0
69.65374	3.7
69.65773	5.6
71.01379	18.0
72.99296	2.8
73.02917	3.4
75.00867	2.8
83.01379	3.1
85.02940	15.7
87.00871	21.0
89.02444	20.9
91.03450	1.5
96.96001	7.2
97.02933	2.4
98.20668	1.7
99.00884	6.0
101.02449	12.3
106.21889	1.5
113.02449	4.3
117.01936	3.9
119.03488	2.8
125.02448	2.2
131.03471	6.9
134.96056	1.5
141.01892	1.9
149.04544	4.5
161.04568	14.9
165.04021	6.7
178.95047	4.4
179.05603	78.9
185.56622	1.5
194.98270	1.5
221.06712	14.0
239.07712	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	239.0924
Annotation	CMPF
Peak:m/z	Relative Intensity
59.01379	100.0
70.50186	1.1
70.50550	1.0
71.01337	0.6
81.03461	1.7
83.05022	0.8
85.02953	1.3
87.00890	1.1
89.09816	0.5
95.05035	1.9
97.06590	2.8
109.06574	3.1
121.03001	1.5
126.86831	0.5
135.08162	2.4
141.05574	10.4
151.11346	2.4
161.04597	1.0
177.09225	3.3
179.05600	4.7
179.07162	1.3
195.10272	37.9
196.10614	1.2
208.15253	0.6
221.08157	1.5
239.09244	32.7
240.09697	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0613
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
55.01865	2.1
56.90675	0.6
57.03450	5.0
59.01376	9.5
61.71674	0.7
63.14636	0.7
69.03482	0.8
71.01382	6.8
71.26817	0.8
71.27174	0.9
72.99306	2.9
73.02946	1.9
74.02477	1.0
75.00868	5.7
78.91901	0.9
82.76003	0.7
83.01385	7.0
85.02948	28.5
87.00873	100.0
88.01229	1.1
89.02442	2.3
97.02914	0.8
99.00874	2.6
101.02422	3.9
111.00864	4.3
113.02441	1.4
125.02453	1.0
129.01939	16.8
143.03461	1.4
147.02969	1.6
161.04572	1.9
175.72102	0.6
177.04027	1.5
182.44260	0.8
188.09161	0.8
205.03502	3.1
235.24039	0.6
237.06143	11.9
237.09779	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59984	0.5
63.81971	0.4
71.01374	19.0
71.36593	0.7
80.98863	0.5
102.04147	0.5
115.00372	10.2
115.91628	0.5
116.00775	0.5
121.02947	100.0
122.03307	3.0
131.30345	0.5
147.62744	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43148	0.6
57.03439	1.4
59.01374	3.8
63.27034	0.7
70.16641	0.6
71.01376	2.4
71.38264	0.5
71.51807	0.9
72.99335	0.6
75.00871	9.1
85.02460	0.6
85.02961	2.1
87.00876	100.0
88.01226	0.9
89.02449	1.7
101.02469	1.2
129.01939	13.0
136.94005	0.9
147.02995	0.7
154.90614	4.4
154.93483	0.7
163.90897	0.6
178.95076	2.4
201.97647	1.5
237.06151	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19862	0.1
59.01380	0.3
60.22839	0.1
61.98830	1.1
63.51944	0.1
70.50493	0.1
80.08363	0.1
85.02971	0.1
90.72808	0.1
94.03022	0.1
111.04548	0.2
114.92080	0.1
114.96471	0.1
121.02946	0.1
121.39633	0.1
125.60313	0.1
134.03708	0.4
135.04488	0.4
136.05292	0.4
139.88881	0.1
141.90781	0.1
148.05295	6.8
149.05981	0.4
149.09714	0.9
151.87292	0.1
162.06979	0.3
164.96434	0.1
175.07620	0.4
176.08450	0.6
177.09196	35.9
178.09546	1.2
180.07973	0.2
190.09981	1.6
191.07094	0.2
191.10608	0.7
192.11546	27.9
193.11934	1.1
201.09189	0.5
203.07083	0.6
206.09419	0.2
207.10152	0.2
217.08678	2.8
218.09454	7.6
219.09978	0.2
219.41734	0.1
221.08244	0.1
236.10515	100.0
237.10898	4.2
237.14842	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
59.01378	2.8
61.98829	100.0
65.24074	0.4
70.16355	1.4
71.01376	2.2
71.01727	0.4
72.99277	0.4
73.02950	0.7
74.02475	4.1
75.00878	0.8
83.01383	0.5
85.02937	2.6
87.00871	13.7
87.01376	0.7
88.04023	2.0
89.02457	1.0
90.98599	0.4
96.95979	0.5
98.20628	0.4
99.00856	0.4
101.02454	1.1
105.03805	0.4
108.23114	0.4
113.02435	0.6
115.00396	0.7
116.03547	1.1
124.98822	0.5
126.95409	0.3
129.01961	2.2
132.03102	0.3
135.19797	0.4
138.99603	0.3
139.77286	0.3
142.99860	6.7
143.00903	0.5
146.04562	2.2
147.02966	0.4
149.02788	0.8
173.00945	1.1
236.07928	0.8
237.06152	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	236.0047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
59.01378	2.8
61.98829	100.0
65.24074	0.4
70.16355	1.4
71.01376	2.2
71.01727	0.4
72.99277	0.4
73.02950	0.7
74.02475	4.1
75.00878	0.8
83.01383	0.5
85.02937	2.6
87.00871	13.7
87.01376	0.7
88.04023	2.0
89.02457	1.0
90.98599	0.4
96.95979	0.5
98.20628	0.4
99.00856	0.4
101.02454	1.1
105.03805	0.4
108.23114	0.4
113.02435	0.6
115.00396	0.7
116.03547	1.1
124.98822	0.5
126.95409	0.3
129.01961	2.2
132.03102	0.3
135.19797	0.4
138.99603	0.3
139.77286	0.3
142.99860	6.7
143.00903	0.5
146.04562	2.2
147.02966	0.4
149.02788	0.8
173.00945	1.1
236.07928	0.8
237.06152	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	235.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96139	0.8
57.03448	100.0
59.01379	51.2
61.98588	0.8
61.98828	8.6
69.85327	2.0
69.85739	2.2
71.01379	6.0
72.99309	1.1
73.02939	4.2
75.00854	2.2
77.10652	1.0
80.72646	0.8
81.03446	3.4
83.01392	1.4
85.01201	1.2
85.02944	3.6
87.00876	3.1
87.04480	0.9
89.02442	1.7
91.04012	6.4
94.81877	0.9
99.00859	0.9
99.04518	99.4
100.04820	1.8
101.02444	18.2
101.06025	0.8
103.03989	2.8
113.02428	2.2
117.05546	3.6
125.02410	3.8
129.01865	0.8
135.28519	0.8
143.03474	1.7
145.08742	1.0
147.01207	7.2
148.04045	1.5
148.05209	1.3
161.04597	2.1
173.08189	5.9
199.22157	0.9
217.10605	1.0
235.06311	1.1
235.08212	7.7
235.11760	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	233.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	14.1
59.01377	100.0
67.01870	6.4
68.99800	1.9
70.20414	6.8
71.01376	50.9
72.99312	4.5
73.02945	12.6
81.10768	1.9
83.01383	13.8
85.02932	11.7
85.77528	1.7
87.00845	3.4
93.03439	4.7
96.96013	12.5
99.00881	30.7
99.01943	2.3
102.01966	3.3
111.00877	22.8
112.98777	3.5
127.01485	2.1
129.01939	34.7
130.01433	3.1
145.00842	2.8
173.00879	5.0
173.04547	5.3
189.00038	1.8
233.15419	12.3
241.52260	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89103	0.2
59.01379	5.2
59.96715	0.5
60.97498	0.3
64.96194	0.2
71.00817	0.6
74.37109	0.3
74.99066	6.9
91.02219	0.7
93.00117	1.6
93.03470	0.6
110.73916	0.2
118.96227	1.6
134.99390	7.0
136.97319	1.6
143.05330	1.2
149.00952	66.1
150.00935	1.9
150.98860	0.6
156.24991	0.2
158.26852	0.2
159.08461	2.1
161.06377	3.1
167.02005	0.3
173.04575	0.9
201.04161	0.5
215.05640	1.5
215.09204	0.3
217.07195	91.8
218.07372	4.3
233.10323	100.0
234.10503	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	232.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05274	0.7
52.27280	0.7
59.01374	8.5
61.36786	0.9
70.02975	50.2
71.01373	1.1
71.30296	1.2
91.05537	6.6
93.03449	1.4
96.99310	9.0
114.01967	100.0
115.02280	1.3
117.02654	1.6
117.03464	26.1
117.07101	1.1
118.06619	1.3
128.07663	0.8
134.06114	22.2
144.08119	2.0
146.06035	4.1
152.03448	1.0
160.07683	2.8
173.04477	2.0
188.07169	7.6
194.32652	0.8
198.75629	0.9
232.06177	2.9
233.04427	1.0
233.15309	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	232.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18056	0.4
52.98393	0.4
59.01377	5.2
60.42342	0.4
67.50422	0.4
69.95667	1.6
71.01379	5.9
73.97748	0.4
85.06584	20.1
88.04036	100.0
93.03435	0.4
97.52322	0.4
110.03659	0.4
113.06080	3.1
126.29622	0.4
126.82121	0.4
130.08739	1.9
160.09781	21.7
173.04567	0.6
173.08215	0.8
180.74777	0.4
232.11874	21.3
233.10266	0.8
233.12474	0.6
233.15501	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1601
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
57.03450	1.3
59.01374	0.4
59.59172	0.2
64.65598	0.2
69.38496	1.7
83.04948	0.2
123.71503	0.2
125.09752	0.3
127.11278	2.1
143.84343	0.2
155.14394	0.6
167.14362	0.3
171.10263	4.1
183.13840	0.4
185.15483	0.3
211.13422	0.2
213.14940	4.0
229.14400	2.4
231.16000	100.0
232.16360	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	229.1444
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03449	1.6
71.04993	0.5
71.97751	0.3
78.86398	0.4
83.05014	0.5
85.02928	0.5
123.08165	0.3
125.09720	2.2
127.11275	3.4
155.14420	1.7
165.12842	0.9
167.14421	1.7
171.10265	4.6
183.13889	1.4
185.11774	3.0
197.11884	0.4
208.36954	0.3
209.11836	2.7
211.13399	15.3
212.13745	0.5
213.86978	0.3
229.14421	100.0
230.14761	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82627	0.4
54.83484	0.4
57.73983	0.4
59.01385	2.3
63.86945	0.5
69.60897	2.8
79.95731	3.2
80.96510	2.5
81.03458	1.5
93.03458	1.5
95.05003	0.5
95.95219	4.4
96.96030	1.1
98.20007	1.0
106.04243	2.1
107.05026	40.4
108.02180	1.1
108.05329	0.7
115.03987	0.6
121.02924	1.4
123.04495	2.7
138.03204	0.5
144.04605	0.5
149.02417	0.7
151.04001	100.0
152.04324	2.1
154.27251	0.5
155.71346	0.5
187.00717	2.9
230.99660	71.2
231.08659	1.1
231.12267	0.5
231.99969	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	229.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.1
59.01376	20.9
59.26195	0.8
59.29139	0.6
70.54028	1.6
71.86430	0.6
74.84941	0.7
78.99232	0.8
84.85209	0.7
85.34071	0.7
97.06581	1.2
107.50833	0.7
115.03997	1.2
115.87038	0.6
125.06090	1.4
125.09707	4.4
127.11284	4.1
133.37054	0.7
139.11250	1.0
148.34201	0.7
152.14452	0.8
155.14378	2.2
167.14366	1.4
183.13902	1.4
185.11804	3.0
209.11787	2.2
211.13411	10.5
229.14423	100.0
230.14644	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1444
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
50.69705	0.4
53.94126	0.4
57.03440	1.2
59.01378	19.5
59.03551	0.4
69.24997	2.4
69.25406	1.1
71.05026	0.4
79.17126	0.4
80.58081	0.3
81.77417	0.4
83.05004	0.5
84.02186	0.7
85.02949	0.6
97.06590	0.5
107.93255	0.4
111.54151	0.5
113.50521	0.4
125.06110	1.4
125.09738	4.0
127.11287	4.3
149.32481	0.4
149.63243	0.5
155.14391	2.6
165.12875	0.6
167.14380	1.7
183.13881	1.0
185.11913	0.7
209.11839	1.8
211.13411	4.7
229.14427	100.0
230.14792	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1442
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
52.58801	0.5
54.00172	0.5
61.98848	0.6
63.82445	0.4
65.23386	0.6
69.78430	1.6
69.78837	1.1
79.63683	0.5
83.67189	0.5
93.03468	1.1
108.02161	0.7
114.25184	0.4
123.04471	0.7
139.11296	0.5
157.08850	0.5
165.12813	0.9
167.14395	38.0
168.14728	1.3
171.04506	0.8
172.05293	0.5
185.06085	1.1
185.15474	0.7
186.06714	0.7
199.03967	3.5
211.13373	62.7
212.13742	2.2
213.05528	1.4
214.06302	5.1
229.08704	7.2
229.14417	100.0
230.14766	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	229.0483
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03009	6.4
61.98828	61.8
65.21859	7.6
71.01377	15.6
79.81669	6.7
95.01397	8.0
96.95991	7.5
99.92598	21.3
100.81820	8.9
100.92609	28.6
103.01490	7.8
107.78191	7.1
116.92860	62.8
122.89439	13.7
127.11440	7.1
138.91115	7.8
139.00058	10.9
141.87109	7.2
145.86235	13.8
146.86687	7.8
152.32767	6.6
154.86588	11.2
155.67580	6.5
156.92131	22.8
168.88919	14.1
170.88342	100.0
170.91000	7.5
182.82787	18.5
184.87747	12.6
186.89899	10.7
192.84915	14.3
207.61174	7.0
214.76991	7.8
228.84273	19.3
229.00316	13.6
229.04918	15.1
229.14462	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23443	1.0
59.01364	3.6
70.70918	0.9
70.71253	1.8
71.01379	1.6
73.02955	0.9
80.02665	2.4
80.25476	0.9
81.03478	1.8
83.05025	4.8
84.02159	4.2
95.05025	1.7
99.92561	1.3
102.29449	0.9
111.08152	0.9
139.11311	2.2
141.12935	1.1
153.42630	1.0
163.11305	5.7
165.12848	13.0
167.10683	1.2
169.12328	3.9
171.13809	1.1
181.12372	1.9
183.13885	36.1
188.24347	0.9
188.72414	0.9
191.10771	1.8
199.13382	22.6
199.26607	0.8
209.11809	100.0
210.12120	2.7
211.90239	1.6
227.07187	3.2
227.09346	1.6
227.12883	41.7
227.16498	2.2
227.20134	6.7
228.13338	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
57.76722	0.1
59.72856	0.1
70.96201	0.2
70.96547	0.4
72.29720	0.1
77.74850	0.2
111.08131	0.8
113.19627	0.1
118.29744	0.2
165.12837	20.3
166.13182	0.6
181.12389	0.2
183.13887	100.0
184.14215	3.4
191.10727	0.3
209.11824	1.7
227.12869	22.9
228.13223	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.14
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70930	0.3
57.03442	1.5
59.01379	0.8
61.79930	0.3
67.01876	0.4
67.42227	0.3
68.99827	0.6
69.99734	1.9
70.00063	0.3
71.01379	2.8
73.02902	0.6
75.48473	0.4
83.01395	1.0
85.02952	2.4
90.31393	0.4
94.72866	0.4
95.01440	0.4
95.05035	0.8
96.00894	0.7
96.96044	0.5
97.06601	2.0
98.03744	0.6
99.00881	4.0
107.05038	0.7
111.00878	4.6
111.08135	0.8
112.93699	0.7
112.98807	7.6
114.01986	0.6
121.06628	0.7
122.06116	0.7
123.00729	0.4
123.04541	1.7
125.06032	0.4
129.01921	3.6
135.04565	0.4
136.01616	0.4
139.07643	7.0
142.99831	0.9
145.01332	0.4
149.06084	2.1
151.03961	0.7
153.09148	0.5
165.12851	0.5
167.05830	0.7
167.07124	6.8
169.09816	100.0
170.10210	1.9
173.00937	3.0
176.26831	0.4
179.03505	1.3
183.13895	1.6
191.02003	0.7
202.24619	0.4
209.08211	0.8
209.11836	0.8
226.99619	1.0
227.05583	0.7
227.09138	2.1
227.14268	1.7
227.20110	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85275	0.4
54.67611	0.4
57.03795	0.4
58.57380	0.4
70.65801	1.3
71.05009	0.5
77.96706	0.4
80.02681	1.9
81.03448	1.5
83.05019	5.8
84.02158	3.1
95.04964	0.4
97.00218	0.5
111.08210	0.5
112.66809	0.4
125.09721	0.4
135.08150	0.8
145.69232	0.4
163.11285	4.8
165.12843	4.0
181.12328	1.2
184.35881	0.5
191.10793	1.7
197.47990	0.4
209.11812	100.0
210.12155	2.5
211.41595	0.5
227.12820	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.5
59.01374	1.6
69.03421	0.7
70.54401	2.2
71.65606	0.6
80.02673	1.4
81.03464	0.8
82.82496	0.8
83.05011	5.4
84.02164	2.6
97.06609	1.7
106.48641	0.8
107.27407	0.7
109.06567	1.6
111.08154	5.0
119.10787	0.8
126.13746	0.7
147.11829	0.9
163.11241	3.9
165.12843	30.5
183.13896	38.7
184.14259	1.6
191.10751	0.9
199.13348	2.8
209.11818	81.9
210.12164	2.6
227.12881	100.0
227.20135	2.0
228.13153	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	227.1288
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03432	0.5
59.01382	0.5
59.12993	0.4
61.98841	2.1
63.99263	0.5
65.46819	0.4
69.45645	1.5
69.46051	1.3
77.10960	0.4
83.05014	0.9
95.01409	0.5
111.08159	1.4
163.11319	0.6
165.12845	18.2
166.13135	0.7
183.13899	100.0
184.14223	2.6
199.13416	0.8
209.11821	11.4
226.92598	0.5
226.97072	0.4
227.07077	0.6
227.12883	24.4
227.16170	2.0
227.20174	1.9
228.13162	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0713
Annotation	cis-Resveratrol
Peak:m/z	Relative Intensity
53.20827	0.3
59.01357	0.5
63.05826	0.3
69.34150	3.0
81.03444	0.4
83.01370	0.6
83.05022	0.8
84.02165	0.4
93.03463	0.4
98.20600	0.6
107.05033	0.5
117.02750	0.3
117.03409	1.8
119.04993	1.8
141.07144	2.0
143.05019	22.5
144.05356	0.8
151.64317	0.3
157.06575	3.0
159.08148	4.2
163.11288	0.6
165.12837	1.2
167.05019	0.5
180.05811	0.4
181.06606	2.6
181.12357	0.8
182.07303	2.8
183.08133	6.2
183.13914	2.5
184.05251	0.9
185.06062	23.3
186.06361	1.0
199.13342	2.1
209.11835	9.5
210.12209	0.5
212.04793	0.6
225.05537	1.3
227.07123	100.0
227.12865	4.3
228.07480	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	227.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.4
61.50957	0.4
70.27476	0.8
70.27865	0.9
80.02692	2.1
81.03452	1.5
83.01382	0.5
83.05016	6.7
84.02162	4.1
88.67439	0.4
93.13322	0.3
95.05010	1.1
96.95284	0.4
106.68024	0.4
123.08067	0.5
125.06094	0.5
125.09618	0.5
125.64047	0.4
135.08145	1.2
163.11264	5.3
165.12868	4.3
181.12334	1.1
183.13826	0.5
191.10747	1.4
199.13367	2.2
209.11806	100.0
210.12149	4.0
227.12857	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	225.1495
Annotation	Annuionone E
Peak:m/z	Relative Intensity
59.01381	4.1
61.98828	52.6
65.00317	0.6
69.62554	3.0
72.36132	0.5
75.25902	0.5
76.62699	0.7
83.05045	0.8
93.03436	2.9
107.52961	0.5
109.06606	1.7
109.18659	0.5
109.83527	0.5
123.94671	0.5
126.90490	1.1
135.76668	0.5
137.02423	1.6
150.07939	0.4
163.11276	1.7
163.14897	1.2
165.07661	1.0
169.12257	0.6
181.12315	2.9
181.15953	0.9
195.02939	0.6
195.13872	7.4
197.15451	3.6
206.99432	0.8
207.10321	6.1
207.13884	22.9
208.14302	0.6
210.05347	1.8
224.90547	1.4
225.00381	1.8
225.11305	8.5
225.14940	100.0
225.92635	17.1
226.15231	4.1
228.76131	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1132
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
57.03443	2.4
59.01379	100.0
71.53671	0.7
81.03449	1.1
83.05030	1.2
85.02966	0.6
93.03460	1.9
95.05048	0.7
97.06612	1.5
108.02226	0.6
109.06571	0.9
135.08099	1.4
137.02405	1.1
137.62378	0.6
147.08185	2.7
153.09201	0.9
163.00330	0.6
163.11266	0.9
165.07826	0.9
165.09195	3.3
181.12315	2.2
195.03026	0.9
200.24895	0.6
207.10257	1.1
211.15569	0.5
224.91899	1.2
225.00359	0.6
225.03874	0.8
225.07700	1.6
225.11313	43.2
226.11678	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77686	0.7
59.01365	2.9
61.98802	2.6
65.62749	0.8
70.82971	2.4
78.32833	0.8
93.03442	0.9
97.02946	8.7
98.19767	0.7
99.00867	3.1
109.06583	4.2
110.03744	4.6
113.67992	0.9
125.09674	1.1
127.28848	0.7
135.08183	2.2
136.05260	1.5
142.02678	3.4
149.32011	0.7
153.13051	0.7
161.09605	0.8
163.11266	11.8
178.64165	0.8
179.10822	1.1
181.12332	26.6
182.12637	1.5
197.11882	1.2
207.10243	62.5
208.10533	2.1
225.11301	100.0
226.11607	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	225.1131
Annotation	Chloriolide
Peak:m/z	Relative Intensity
59.01374	5.0
61.98829	26.4
65.00336	0.6
68.99825	0.6
69.03452	0.6
71.07977	0.6
71.08306	0.8
73.02946	0.9
75.67100	0.5
80.02678	0.5
81.03443	2.6
83.01447	0.6
83.05030	1.6
83.57560	0.5
84.02178	1.4
85.02970	0.9
89.80166	0.5
89.95575	0.5
93.03453	4.9
97.02948	9.2
99.00904	0.8
106.04202	0.6
109.02959	0.6
109.06583	18.8
110.03745	4.1
121.06612	1.1
123.04521	0.8
125.09753	0.7
126.90536	1.6
135.08142	2.8
136.05296	1.4
137.02396	0.8
142.02724	4.1
145.10248	0.8
150.86526	0.7
153.92218	0.6
161.09714	1.8
163.11282	15.4
165.07805	0.6
165.09143	0.8
178.83403	1.6
179.10788	0.9
181.12334	13.4
189.09155	0.9
197.15361	0.6
206.99211	0.9
207.10248	75.1
208.10535	2.6
224.80275	0.9
224.90503	1.5
225.00433	2.0
225.11302	100.0
225.14932	4.1
225.92613	9.5
226.11647	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.6
58.00593	0.7
59.01377	5.4
60.88003	0.6
61.98824	4.0
69.03446	1.3
69.20345	1.1
69.20760	5.2
71.05011	1.3
73.02960	1.0
80.02662	0.6
81.03445	3.4
83.05013	3.5
84.02157	5.7
85.02956	1.1
93.03448	2.1
95.05048	1.3
97.02944	8.9
99.00857	1.1
99.04526	1.1
99.51805	0.7
107.05061	1.5
109.06590	25.2
110.03728	4.6
111.04487	0.7
121.06572	1.7
123.04469	0.7
125.09737	1.1
135.08162	3.2
136.05272	2.4
137.02425	1.9
142.02719	4.0
143.52286	0.6
151.07654	0.7
161.09682	2.0
163.11282	22.1
164.11594	1.2
165.07687	0.8
179.10809	1.0
181.12331	28.1
189.09131	0.6
195.03067	1.0
197.11812	1.5
207.10248	77.5
208.10593	2.7
225.00560	0.9
225.11305	100.0
225.92586	1.6
226.11707	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	223.0611
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
57.03440	1.2
59.01373	6.5
69.50219	3.4
69.50648	3.0
71.01394	1.7
75.00869	1.1
83.01415	1.0
85.02938	8.2
87.00877	13.5
91.05531	52.0
98.19907	1.7
101.02462	1.2
107.51176	0.8
111.00893	2.3
117.07100	15.3
119.05021	1.5
129.01913	1.8
133.06599	35.0
135.04521	3.6
149.02493	2.3
150.65024	1.0
161.06073	52.0
162.06453	2.3
163.04004	69.2
164.04626	1.2
177.05560	1.4
179.07123	6.6
185.52548	0.8
193.01372	1.9
205.03445	2.1
205.05075	2.9
208.03773	2.2
222.04686	1.0
223.06117	100.0
224.06502	3.1
225.92073	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1339
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
57.03436	1.4
58.88144	0.6
59.01367	3.3
63.85242	0.8
69.03457	5.7
70.16782	2.9
71.05019	2.0
85.06564	1.0
95.05032	1.2
117.31313	0.8
125.09731	1.2
149.09692	1.5
153.09232	0.9
163.57153	0.7
167.10748	7.9
179.10736	3.1
179.14374	7.4
195.13896	23.1
205.12303	18.5
213.08401	0.8
223.13379	100.0
224.13626	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	225.0768
Annotation	Massarigenin B
Peak:m/z	Relative Intensity
53.18378	1.4
59.01371	4.7
65.03946	2.2
67.01881	2.8
68.99814	12.4
69.03435	1.8
71.01380	7.5
71.05038	1.6
75.00879	2.7
79.05508	2.7
80.02660	4.1
91.05542	3.4
93.03448	8.5
93.07069	3.6
95.05046	7.0
97.02958	2.5
97.06567	4.0
99.00879	2.1
99.04512	3.3
103.05539	4.7
105.07104	20.8
106.04242	7.7
106.07407	2.0
107.05032	12.8
108.02153	8.1
109.02970	3.3
109.06570	8.5
111.08156	2.4
119.05022	8.2
120.05812	38.5
121.02962	12.3
121.06597	63.3
122.03704	1.8
123.04494	1.8
123.06536	2.0
123.08167	26.8
129.63081	1.5
131.04993	10.0
133.06599	6.4
134.03752	5.3
135.04530	4.7
135.08159	35.2
136.01576	1.7
136.05270	2.9
137.02466	10.5
137.06097	16.1
137.09656	1.5
138.06868	3.7
139.07671	8.0
147.04527	4.7
148.05273	3.6
149.06064	60.9
151.07646	9.1
152.04871	2.3
153.09215	4.5
163.07605	5.8
163.11307	5.2
165.01897	3.0
165.05569	9.8
166.06345	39.1
167.06923	2.3
175.03996	4.2
179.07158	3.9
180.04164	2.0
181.08688	85.9
181.12268	2.6
182.09009	2.2
193.05045	13.8
195.02982	3.2
195.06731	2.3
197.08162	1.9
199.09763	4.4
207.05023	3.1
207.06702	4.4
207.10242	9.7
210.03537	2.7
210.05278	13.9
225.00369	2.0
225.07689	100.0
225.11145	23.8
225.14993	2.5
226.08063	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	223.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.4
55.12279	0.4
57.03444	18.2
59.01376	10.1
67.01889	1.0
68.99802	2.0
69.78692	1.6
69.79095	1.0
71.01375	13.2
72.99298	4.1
72.99665	0.7
73.02927	3.1
75.00868	5.3
83.01382	11.7
84.02177	2.8
85.02945	100.0
86.03278	0.9
87.00877	4.3
88.01662	0.9
99.00844	1.2
101.02441	11.4
103.00374	0.9
103.03999	2.1
110.18107	0.4
111.00875	47.5
112.01216	0.7
125.02435	0.8
128.01193	0.6
128.15044	0.5
129.01936	27.7
143.03537	1.0
147.02979	6.2
159.03094	0.5
161.04544	2.4
173.00833	0.7
187.02408	3.3
205.03517	46.1
206.03925	0.8
223.04576	47.2
224.04886	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.2
55.85542	0.9
57.03193	1.3
57.03450	15.4
57.41799	1.0
58.00599	1.5
59.01378	13.3
65.29823	0.8
67.01859	1.0
68.83746	0.9
68.99787	1.9
70.81574	0.8
70.83675	1.9
70.84023	1.1
71.01385	12.7
72.99311	3.6
73.02931	1.6
75.00883	5.7
76.82909	1.1
83.01388	10.9
84.02157	2.8
85.02950	100.0
86.03289	1.2
87.00885	4.2
91.46558	1.0
94.43889	0.9
95.74254	0.9
99.00909	1.5
101.02439	12.3
103.00392	0.9
103.04021	2.0
111.00883	42.3
112.98791	3.0
125.02446	1.9
129.01944	27.2
143.03485	1.8
147.02985	5.7
161.04526	2.3
168.13911	1.1
186.77527	1.0
187.02481	2.8
205.03519	45.0
206.03870	1.0
223.04567	49.7
229.30751	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.4
57.03444	18.2
58.00584	0.7
59.01375	11.4
61.30523	0.3
67.01879	1.1
67.39120	0.3
68.99825	1.8
71.01376	13.1
72.99297	4.7
73.02946	2.2
75.00869	6.6
78.69190	0.3
83.01382	11.1
83.01884	0.6
84.02160	3.1
85.02944	100.0
86.03299	1.0
87.00874	4.6
88.01675	0.5
89.54897	0.3
98.20689	0.5
99.00883	1.0
101.02438	11.5
103.00366	1.1
103.04012	2.0
111.00877	43.5
112.01239	0.6
125.02390	0.7
129.01935	27.1
133.05055	0.7
143.03458	1.2
147.03000	6.8
149.02414	0.5
159.02940	0.4
161.04533	2.6
164.04663	0.4
166.83772	0.3
173.00909	0.6
179.05620	0.8
181.79401	0.3
187.02452	3.1
193.01443	0.6
193.08881	0.4
205.03508	43.6
206.03877	1.0
208.03737	0.7
223.04565	48.0
224.04913	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.2
57.03448	15.5
59.01377	21.9
66.73930	1.0
66.83321	1.2
67.01894	1.1
68.99827	3.1
69.37478	4.7
69.37896	4.1
71.01378	17.5
72.99291	6.8
73.02936	5.0
75.00872	7.6
80.37008	1.1
80.91650	1.4
83.01382	13.9
84.02158	3.7
85.02946	100.0
87.00880	5.6
89.02492	2.1
99.00905	2.9
101.02433	13.7
103.00365	2.5
105.70813	1.1
108.56602	1.1
111.00877	36.2
112.98822	6.4
113.02473	1.1
129.01947	22.8
143.03459	2.1
145.01381	1.2
147.02972	5.0
161.04524	2.7
163.06070	1.5
179.84207	1.2
187.02519	2.2
191.01988	11.1
205.01636	2.2
205.03532	29.6
223.04576	36.4
223.08087	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	223.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.8
57.03445	18.3
59.01379	10.4
65.34176	0.3
67.01879	1.1
68.99821	1.7
70.71317	0.7
70.71672	0.6
71.01377	11.8
72.99313	4.6
73.02955	2.8
75.00867	5.9
83.01382	10.8
84.02160	2.6
84.77364	0.3
85.02946	100.0
86.00098	0.5
86.03281	0.7
87.00871	4.5
88.01662	0.7
99.00887	0.9
101.02440	11.2
103.00352	1.1
103.04001	1.7
111.00876	46.8
112.01236	0.5
112.24072	0.3
125.02448	0.7
129.01941	27.3
133.05051	0.5
143.03487	1.0
147.03001	6.7
159.03044	0.5
161.04543	2.1
173.00778	0.4
187.02452	3.1
205.03510	45.8
206.03833	0.5
223.04567	48.1
224.04962	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0454
Annotation	Sphagnum acid
Peak:m/z	Relative Intensity
55.01875	11.7
59.01073	0.4
59.01373	6.3
59.15343	0.3
64.45261	0.4
69.41395	2.5
71.01392	0.5
73.02932	0.4
76.87964	0.3
77.03954	0.4
78.98885	0.3
84.40428	0.4
85.02972	0.4
93.29637	0.3
101.02448	0.4
115.05545	0.8
131.05019	8.6
133.06592	100.0
134.06918	2.2
142.06094	0.4
159.04509	11.5
177.05539	4.9
181.17233	0.3
203.03485	3.6
221.04556	8.9
222.05171	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39617	1.1
53.15351	1.2
54.01126	1.1
57.03439	1.2
59.01376	100.0
59.17625	1.2
60.99302	4.5
64.95259	2.6
70.08752	4.6
71.01384	9.6
71.11227	1.2
72.99304	30.6
73.02955	6.0
75.00865	7.7
78.91886	4.8
83.01383	1.3
84.34672	1.2
85.02941	6.3
87.00869	3.8
89.02438	14.0
97.02975	1.4
99.00903	2.3
101.02428	6.3
103.00361	2.2
113.02460	3.2
115.00388	5.8
117.01952	4.1
129.01942	5.6
131.03500	3.7
133.01428	11.5
133.04973	1.4
135.04787	1.3
141.01945	1.1
145.01395	3.7
148.19934	1.2
161.04529	8.4
189.08821	1.0
191.70772	1.1
220.94550	1.7
221.04578	2.4
221.06622	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	221.0453
Annotation	Sphagnum acid
Peak:m/z	Relative Intensity
55.01875	11.1
59.01376	6.4
69.40598	2.8
71.01364	0.5
73.02953	0.6
77.03932	0.4
78.99854	0.3
93.03460	0.7
103.05498	0.5
115.05534	0.9
121.02929	0.6
131.05026	9.1
133.06589	100.0
134.06897	2.4
141.67625	0.3
158.03691	0.9
159.04507	11.9
160.04773	0.5
161.04550	0.5
177.05547	4.4
178.05902	0.3
185.02373	0.4
191.62683	0.3
203.03464	3.7
221.04529	9.6
221.06598	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1033
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
57.67574	0.4
57.91328	0.4
59.01355	1.2
68.14174	0.4
69.56861	3.0
71.01379	11.1
71.05019	16.8
72.00895	1.1
88.04039	100.0
89.04386	0.8
98.20758	0.6
98.48228	0.4
99.04514	4.6
116.07172	1.9
129.05638	0.8
146.08229	45.0
147.08585	0.9
205.49837	0.5
218.10329	34.3
219.10686	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.5
66.92461	0.5
67.45162	0.4
69.71554	0.4
71.01381	10.9
71.05019	16.4
71.06248	1.0
72.00903	0.7
72.04553	0.5
78.14034	0.5
88.04037	100.0
89.04377	1.0
99.04522	4.5
116.07159	2.7
129.05579	0.7
146.08223	46.8
147.08572	0.5
169.50087	0.5
218.10323	32.0
219.10617	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.108
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
57.03454	4.2
59.01377	6.7
69.54201	1.7
69.54609	2.8
71.05010	2.7
81.47285	0.7
83.05038	7.6
99.00869	1.0
99.08130	0.9
107.80716	0.6
109.06576	0.9
127.11301	10.8
135.08185	0.7
137.09726	21.6
138.10036	0.7
149.66530	0.7
155.10776	42.3
156.11086	1.3
165.85028	0.6
173.02654	0.6
173.11812	12.9
181.08694	9.7
197.08139	0.9
199.09744	51.9
200.10156	1.0
202.02795	1.0
213.67281	0.7
215.09203	1.3
217.10796	100.0
218.11110	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	215.0922
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
59.01376	100.0
60.01727	1.0
71.01387	0.7
71.05013	0.8
71.52956	0.9
72.88005	0.5
83.04991	1.0
85.02965	0.8
86.51424	0.5
89.02473	0.9
99.08148	0.7
107.04999	0.7
111.08154	9.3
113.16856	0.7
118.32387	0.5
125.06115	0.6
125.09724	0.8
144.00897	2.4
153.09198	9.0
155.07130	6.9
171.10260	29.0
196.60449	0.5
197.08167	3.3
215.00975	24.5
215.09221	25.5
215.12621	1.2
216.01248	1.1
216.09659	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.165
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
52.41949	0.4
59.01367	0.4
61.98837	0.6
70.37489	0.9
84.66370	0.3
89.02387	0.4
89.39709	0.3
98.19765	0.3
106.35217	0.3
119.65845	0.3
122.89419	2.4
129.15523	0.3
139.11238	0.6
144.00880	0.9
168.88670	0.8
169.15988	4.0
179.05638	0.4
186.89735	1.9
197.15442	2.4
203.55788	0.4
213.14958	0.6
215.00990	9.0
215.16493	100.0
216.01274	0.5
216.16818	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	217.0028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01706	0.6
69.15321	4.5
90.97140	1.5
91.38312	0.5
101.99812	0.4
118.96626	0.8
132.98161	2.3
138.44447	0.5
174.99232	28.3
186.50484	0.4
217.00279	33.1
218.00764	0.6
220.07613	0.5
238.72552	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0657
Annotation	1-Hydroxypyrene
Peak:m/z	Relative Intensity
57.41293	0.3
59.01379	18.6
61.98826	2.7
71.01383	0.5
71.53046	0.3
85.02914	0.4
88.04028	0.3
101.02429	0.4
116.40460	0.3
124.89132	2.3
127.04010	0.6
132.98149	0.4
145.02908	0.5
155.84358	0.3
170.88661	0.9
174.03200	0.4
174.99246	4.4
188.89468	1.4
189.07158	1.0
189.74457	0.3
202.02647	0.4
217.00288	4.9
217.06567	100.0
218.04919	0.6
218.06874	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	213.1495
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
59.01381	0.8
70.38892	0.9
70.48396	0.3
72.10595	0.3
98.20554	0.4
135.53363	0.4
140.79085	0.3
146.66843	0.3
168.88118	0.3
177.12778	0.3
183.13889	24.6
184.14217	0.9
193.20555	0.3
195.13879	22.9
196.14185	0.7
211.13373	0.7
213.14941	100.0
214.15250	3.8
220.51337	0.3
222.62653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0924
Annotation	Decarestrictin N
Peak:m/z	Relative Intensity
50.87510	0.8
51.22939	0.8
59.01377	5.4
69.46235	0.7
71.01379	2.1
71.05013	3.9
71.53561	1.4
73.02944	2.9
83.05017	2.1
85.02911	0.8
85.94492	1.0
89.02434	1.4
95.04996	2.5
97.02936	3.0
97.06604	10.2
98.17484	0.8
99.00881	46.2
99.04530	0.8
99.08152	1.9
107.04983	1.0
110.03719	1.8
111.08177	1.0
117.07089	2.9
123.04504	3.9
125.09718	1.9
127.07643	0.9
127.11266	4.4
135.08162	8.3
139.03851	0.9
142.02692	2.1
144.00853	4.5
153.09210	50.6
155.07111	3.2
169.08698	1.3
171.10245	14.7
173.07201	1.1
179.07137	6.6
197.08182	42.9
200.04744	1.4
205.45549	0.9
215.00990	36.4
215.03339	2.0
215.09221	100.0
215.12726	3.2
216.01311	1.4
216.09543	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.6
65.00337	0.8
70.76175	1.1
81.03497	0.9
84.68040	0.5
95.01347	0.4
107.04895	0.5
109.02936	3.6
111.00881	1.1
135.00861	0.6
136.98811	2.1
137.02415	2.0
139.00237	0.5
151.06104	0.6
153.01933	45.9
154.02293	0.7
164.98225	0.6
181.01416	100.0
182.01660	2.4
183.13872	0.5
196.03755	66.5
197.04062	1.8
211.06094	32.3
211.13412	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	211.1339
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
58.76673	0.5
59.53947	0.5
60.27424	0.5
61.98772	0.6
65.50993	0.5
69.03445	0.6
70.54173	1.7
112.74075	0.6
120.23664	0.5
159.90450	0.5
167.10724	0.7
167.14404	1.3
183.13892	12.7
193.12325	3.2
211.13388	100.0
212.13748	2.3
213.00867	0.6
231.97052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.5
71.19970	0.7
71.20299	0.7
83.04993	0.6
97.06572	0.6
108.02151	4.0
123.04510	1.8
125.09649	0.6
145.22563	0.6
151.11275	14.6
153.05527	1.2
168.98949	6.5
169.12332	100.0
170.12724	2.4
183.13876	1.4
194.99396	0.7
195.10287	0.7
195.13911	1.2
197.99239	1.0
213.01720	1.1
213.05556	1.1
213.11328	19.3
213.14940	7.4
213.18376	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1131
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
55.73874	0.4
56.02241	0.4
59.01376	5.4
61.98818	0.7
63.47977	0.4
64.64026	0.4
68.50442	0.4
69.62045	2.1
97.06596	1.1
108.02185	1.3
123.04563	0.6
133.10356	0.4
151.11278	12.0
168.98975	1.0
169.12329	100.0
170.12660	3.0
183.13860	0.6
195.10243	1.5
197.99170	0.6
213.01566	1.0
213.11314	24.0
213.14635	3.6
213.18526	0.8
214.05045	1.8
214.11568	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.9489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.6
61.98829	100.0
70.05777	1.2
70.06173	1.3
84.04619	0.7
86.96632	0.5
91.92109	0.9
94.02969	2.0
103.94733	0.5
113.77163	0.6
122.03304	0.7
124.04053	8.4
125.02442	0.7
153.92233	0.7
163.95564	0.6
166.91078	2.0
209.94894	39.9
210.07687	1.2
210.12236	0.7
210.94958	0.9
211.13425	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0407
Annotation	5-(2'-Formylethyl)-4,6-dihydroxypicolinate
Peak:m/z	Relative Intensity
57.03419	0.4
59.01371	0.9
61.18642	0.4
61.98813	1.5
64.01913	0.6
66.03452	0.5
69.95416	1.5
71.01372	1.2
72.01714	0.7
85.02947	1.9
86.03275	3.4
87.00864	0.4
89.02376	0.4
92.05038	0.4
94.02970	1.1
95.01361	0.5
103.04241	2.0
104.05060	31.7
105.05379	0.6
108.02157	1.1
112.01221	0.4
120.04554	6.0
121.06575	0.4
122.02463	0.5
122.06135	1.8
122.06892	0.5
123.04569	0.4
124.04070	3.2
125.02454	0.4
134.01729	0.4
135.03302	0.6
137.06117	0.5
137.12437	0.4
139.73763	0.5
148.04042	54.1
149.04407	1.3
151.03984	0.5
151.06062	0.7
152.01160	1.5
153.05588	0.5
158.44173	0.4
166.05078	100.0
167.05450	2.2
181.04926	0.5
183.13707	0.5
192.02286	1.4
198.49246	0.3
210.04062	15.0
211.02501	1.2
211.06024	0.8
211.13307	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	Pulchellon
Peak:m/z	Relative Intensity
55.01879	0.6
57.03439	5.0
58.00573	0.6
59.01368	2.9
59.30653	0.4
61.98828	27.0
65.00325	0.6
65.99831	0.4
69.03453	1.9
69.14861	3.0
69.15283	1.3
71.01379	17.8
71.05019	1.8
73.02943	1.6
75.00885	0.5
77.50461	0.4
80.02666	1.6
81.03456	2.3
82.51144	0.4
83.01389	3.9
83.05025	3.2
84.02161	2.4
85.02947	1.8
89.02377	0.4
92.99811	1.3
93.03458	2.8
94.02987	0.8
95.01437	0.4
95.05017	2.7
97.02937	0.8
97.06073	0.4
97.06598	4.3
98.20668	0.8
99.04482	0.5
106.04296	0.5
106.45692	0.3
107.05036	0.8
108.02129	0.5
109.02934	0.7
109.06561	0.9
110.03744	0.4
110.78772	0.4
111.08134	2.1
112.01665	0.7
120.02139	0.5
121.02950	37.4
122.03222	0.6
123.08120	1.6
124.04015	1.6
125.02464	0.6
125.09704	9.9
134.03700	1.1
135.04539	0.4
135.08141	1.6
136.01677	0.5
136.98811	1.1
137.02429	0.7
137.09695	1.0
137.88757	0.4
139.04001	0.4
144.00668	0.5
145.10194	1.9
147.11795	2.2
148.05258	0.6
149.09691	1.2
151.07602	0.8
151.11276	24.3
153.09171	0.9
153.12851	3.6
161.09694	0.9
163.11308	8.3
164.94121	0.6
164.98235	1.1
165.01872	0.8
165.05467	0.8
165.09193	0.7
165.12833	17.8
167.10756	1.5
173.09712	2.4
177.09175	0.5
179.10785	5.7
179.85275	0.4
181.05086	0.6
181.12331	46.8
182.12709	0.8
190.99799	0.5
191.10770	17.2
194.02237	0.5
194.05780	0.6
209.00937	1.7
209.04570	5.6
209.11806	100.0
209.94873	12.0
210.12114	2.6
225.11293	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1181
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
52.19756	0.4
59.01366	1.0
61.98826	4.2
63.33593	0.3
63.44955	0.3
70.54117	1.0
72.78725	0.3
79.12000	0.3
81.03404	0.4
82.34971	0.3
85.02929	0.4
88.66340	0.3
93.03495	0.4
120.02180	0.4
121.02946	11.8
124.04065	0.6
125.09679	0.4
134.76010	0.3
165.12828	0.6
170.09657	0.3
209.04567	2.4
209.11809	100.0
209.94864	1.4
210.12163	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	209.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05774	0.2
53.44279	0.2
55.01872	2.3
57.03445	1.6
59.01366	0.6
61.98830	4.4
68.99815	0.2
69.03432	0.8
69.20567	0.9
69.20998	0.9
71.01375	0.7
71.05022	0.7
80.02674	0.9
81.03452	3.8
83.01385	24.5
83.05023	3.3
84.02139	1.2
85.02950	0.4
86.19141	0.2
86.56693	0.2
92.99824	0.6
93.03437	0.4
94.02973	0.2
95.05022	1.2
97.02912	0.4
97.06580	3.9
97.38252	0.2
99.04505	0.5
106.04243	0.3
108.02171	0.3
109.06566	0.4
110.03710	0.3
111.08135	0.7
121.02952	13.5
123.04486	0.3
123.08148	2.0
124.04018	0.7
125.09715	20.6
126.10055	0.3
135.08163	2.1
136.01768	0.2
147.11794	0.9
149.09729	0.3
151.07581	0.3
151.11185	0.2
153.12732	0.2
161.09715	0.3
163.11285	9.6
164.11588	0.2
165.01927	0.2
165.12840	3.4
167.10733	0.6
173.09694	0.5
179.03502	0.3
181.12343	1.7
188.00458	0.3
191.10773	8.0
194.05807	0.3
209.04596	2.3
209.11810	100.0
209.94882	1.9
210.12180	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	209.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
57.01689	0.4
57.03449	6.0
58.00593	0.4
59.01373	3.1
61.98829	23.9
63.23080	0.4
65.00302	0.6
69.03465	2.2
70.74987	0.8
71.01379	13.6
71.05016	1.5
72.91491	0.3
73.02944	1.8
78.16975	0.4
80.02694	1.7
81.03453	2.3
83.01382	2.2
83.05025	4.4
84.02167	1.2
85.02953	1.6
89.02451	0.7
91.01876	0.5
92.99802	1.1
93.03483	2.0
95.05026	3.1
97.06588	4.1
99.04503	0.4
103.20645	0.4
106.04220	0.5
107.05022	0.7
108.02110	0.7
109.02979	0.4
109.06602	1.1
111.00847	0.4
111.08147	3.0
112.01662	0.8
120.02153	0.4
121.02953	40.0
122.03255	0.8
123.00848	0.5
123.08151	0.9
124.04022	2.3
125.02434	0.9
125.09727	7.2
134.03729	0.8
135.08131	1.9
136.98776	1.0
137.02396	0.8
137.09694	0.9
144.00621	1.2
145.10257	1.9
147.11804	1.7
149.09673	0.8
151.07651	0.8
151.11281	20.5
152.11624	0.7
153.09274	0.6
153.12857	3.3
161.09749	0.7
163.11282	7.0
164.98259	0.7
165.01926	0.5
165.05576	0.8
165.09221	0.5
165.12843	20.4
166.13196	0.7
167.10759	4.2
173.09714	2.0
179.10765	7.2
181.05049	0.4
181.12328	29.1
182.12671	0.8
189.28163	0.4
191.10768	12.9
192.10957	0.5
209.00935	0.9
209.04614	6.1
209.11812	100.0
209.94884	10.6
210.12143	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86020	0.5
56.08306	0.6
56.45313	0.6
57.03447	1.9
59.01378	100.0
66.35107	0.5
81.03462	2.2
85.02956	1.3
88.94432	0.6
91.72528	0.6
97.06587	2.8
98.19891	1.4
109.06578	2.9
121.02945	9.2
154.64426	0.6
160.78441	0.6
165.12865	3.4
189.82126	0.6
196.82114	0.6
209.04599	2.5
209.08540	1.2
209.11824	25.4
210.12192	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1181
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
53.84607	0.5
55.01858	0.8
57.03447	3.0
59.01378	2.8
61.98827	26.3
65.00333	0.6
65.57341	0.4
66.03494	0.4
67.01878	0.6
69.03457	1.5
71.01367	1.0
71.19470	0.8
72.28661	0.5
80.02686	0.6
81.03448	2.9
83.01387	11.0
83.05025	6.2
85.02952	1.1
91.01881	0.5
92.99783	0.8
93.03461	2.1
94.03013	0.5
95.05029	1.3
96.95941	0.5
97.06580	3.6
100.91498	0.5
109.02908	0.6
109.06589	1.0
111.08134	0.8
121.02950	42.9
123.08144	2.8
124.04050	1.6
125.06039	0.7
125.09714	19.0
135.08156	1.1
136.01654	1.2
136.98799	0.9
137.02435	0.7
143.40440	0.4
147.11778	1.7
149.09726	1.1
153.12767	0.5
163.11287	4.5
164.98305	1.0
165.12846	4.8
167.10760	27.6
168.11060	0.6
179.03470	0.6
181.12354	2.0
191.10774	3.8
194.02045	0.6
209.00945	1.6
209.04596	7.3
209.11809	100.0
209.76797	0.6
209.94868	11.4
209.96907	0.6
210.12106	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	209.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09947	0.3
55.01864	0.9
57.03424	0.4
58.00591	0.8
59.01377	5.4
68.99821	0.3
69.03455	0.6
71.01391	1.6
72.99302	10.6
73.02947	1.6
75.00870	100.0
81.03449	0.4
83.01388	2.4
84.02165	15.3
85.02950	5.0
86.00102	0.5
87.00878	4.0
88.01651	1.0
89.02448	0.4
91.01891	0.3
93.03444	0.4
97.02930	0.9
99.04514	17.6
101.02445	5.7
103.04007	3.0
109.06541	0.3
113.02433	1.4
120.02144	0.6
121.02955	29.2
122.03268	0.8
129.01898	0.9
143.03477	0.9
151.03961	0.5
160.27943	0.4
161.02426	0.3
161.04575	2.1
166.20381	0.3
173.04523	1.3
179.03448	1.4
191.01968	0.4
191.05608	7.9
194.02185	0.4
194.05850	0.9
204.22438	0.3
209.04582	4.6
209.06631	60.7
209.11807	4.5
210.06966	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0665
Annotation	Sedoheptulose
Peak:m/z	Relative Intensity
55.01869	4.1
57.03448	24.4
58.00594	2.0
58.40705	1.0
59.01380	20.9
62.88494	1.2
62.99051	1.0
64.08231	1.4
66.90896	1.3
68.99803	3.4
69.08606	1.1
70.57733	2.7
71.01376	16.0
72.99294	6.8
73.02946	4.1
75.00870	29.2
81.50036	1.3
83.01386	6.9
84.02180	10.2
85.02946	90.7
86.00107	1.4
87.00878	25.1
89.02428	6.2
97.02970	3.5
98.19945	1.1
99.00895	5.9
99.04520	4.5
101.02441	5.1
101.63507	1.2
103.04008	1.7
111.00863	10.0
112.98815	5.1
113.02483	2.0
117.19767	1.4
117.43871	1.3
129.01942	44.3
131.03503	1.3
133.01445	3.5
141.01949	4.0
142.98827	2.2
142.99854	18.5
147.02959	1.4
159.02998	9.8
173.00873	4.7
191.01927	7.4
191.05626	2.8
208.98602	1.3
209.03070	9.9
209.06650	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0665
Annotation	Sedoheptulose
Peak:m/z	Relative Intensity
51.77885	0.2
54.79391	0.2
55.01883	0.5
55.28148	0.2
56.27459	0.2
57.03446	0.3
58.00608	0.6
59.01378	3.8
68.99820	0.3
69.03469	0.3
71.01389	1.3
71.29936	0.4
71.30273	0.3
72.99306	10.6
73.02940	1.7
75.00869	100.0
76.01197	0.6
79.01907	0.3
83.01392	2.3
83.05018	0.3
83.64240	0.2
84.02164	13.9
85.02949	3.0
86.00098	0.5
87.00871	4.0
88.01662	1.0
89.12681	0.2
90.33344	0.3
97.02938	0.8
98.19939	0.2
99.04515	16.8
101.02439	4.3
103.04012	3.8
113.02460	1.2
120.02201	0.6
121.02956	22.8
122.03211	0.3
126.35935	0.2
129.01939	0.6
141.01955	0.7
143.03481	0.9
161.04546	1.9
173.04527	1.1
191.01991	0.4
191.05594	7.7
208.65543	0.3
209.04602	4.1
209.06633	60.0
210.07010	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0663
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
55.01877	0.4
55.42549	0.3
57.03431	0.4
59.01379	10.3
61.98820	0.6
71.01365	1.2
71.20116	0.4
75.00867	0.7
81.03413	0.5
82.20604	0.3
85.02959	0.7
85.58096	0.3
89.02444	0.4
91.01886	0.6
95.05035	0.6
99.00865	0.5
101.02428	0.3
105.03440	3.7
109.06581	1.7
117.01903	0.3
119.01376	0.4
119.05006	0.3
121.02958	0.3
123.04531	0.6
129.01936	2.4
133.02956	31.8
134.03265	0.7
135.00851	0.3
135.04524	0.5
137.09651	0.3
137.57281	0.3
147.03001	1.7
148.05283	0.4
149.02431	2.6
161.02406	0.3
163.04030	0.5
163.07582	0.4
163.11279	1.1
164.04799	2.8
177.01926	13.9
178.02264	0.3
178.99838	0.4
192.04280	100.0
193.04631	2.1
207.01205	0.8
207.03188	0.6
207.06624	22.8
207.10220	1.8
207.13887	1.7
208.07076	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.9743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.2
61.98829	100.0
62.98513	0.2
70.69110	0.2
71.01385	0.1
75.00871	0.1
98.20576	0.1
99.00920	0.2
100.58905	0.1
129.01933	0.3
133.03035	0.1
146.73254	0.1
147.03021	0.2
162.98485	1.6
164.96405	0.2
169.03291	0.1
177.01862	0.7
192.04243	0.6
206.97443	10.0
207.06606	0.3
207.97557	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55180	0.8
54.27757	0.9
55.01878	3.8
57.03443	2.7
58.00595	5.6
59.01380	26.2
68.99829	1.3
69.03465	6.3
71.01383	42.7
71.50986	1.2
72.01692	0.9
72.99306	100.0
73.02945	7.3
75.00874	8.1
78.95879	0.9
79.56357	0.9
83.01381	8.1
85.02952	20.3
87.00889	9.4
89.02441	16.3
89.49654	0.7
90.98068	1.8
92.95998	3.6
94.95777	1.1
95.01383	17.4
96.95951	1.3
99.00876	6.7
101.02438	2.2
102.59209	0.9
107.43024	0.8
108.93743	30.0
113.02442	19.0
113.03579	2.2
114.01990	1.6
115.00370	3.7
117.01943	60.8
118.02287	1.0
118.97533	2.9
127.04050	1.5
129.01953	3.6
130.88922	3.5
131.03563	2.1
131.04620	3.3
132.88617	1.2
133.01422	12.0
134.97081	3.1
134.98767	1.2
135.02994	12.4
136.94028	5.4
137.94049	0.9
138.92175	0.9
140.91797	0.9
144.95540	1.1
146.95222	2.7
149.04565	6.3
158.97043	2.1
164.92723	41.9
170.88335	10.2
170.92876	1.3
171.03020	7.0
177.01886	1.4
188.98158	4.2
189.04044	20.8
192.04314	2.0
206.93799	6.7
206.99127	2.5
207.05052	18.5
207.06818	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1596
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
59.01374	0.4
61.98824	0.2
71.01377	0.3
75.00874	0.2
87.00854	0.2
92.53529	0.1
98.12756	0.2
99.00886	0.3
115.00368	0.6
161.02464	0.3
161.06078	0.3
189.12819	1.8
205.15958	100.0
206.16293	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	206.0821
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
52.63762	0.7
58.02972	32.0
64.59759	0.7
70.02977	12.5
70.03336	1.1
70.27579	1.5
70.27939	1.3
72.00912	4.3
90.93979	0.7
91.05527	14.0
91.06048	1.0
103.05545	1.5
126.68459	0.6
147.04512	32.8
148.04819	1.0
162.09180	1.1
163.52533	0.7
164.07158	100.0
165.07474	1.5
206.08200	40.6
207.08554	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0351
Annotation	(R)-2-Hydroxybutane-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
50.93920	1.3
55.01863	2.8
57.03437	7.6
59.01375	16.3
67.01878	4.6
68.99805	2.2
71.01379	22.3
71.05016	15.0
71.29095	2.6
72.99308	11.4
73.02944	12.8
75.00865	6.9
81.03437	5.6
82.70464	1.6
83.01366	6.0
83.05019	3.1
83.16119	1.3
84.87798	1.4
85.02944	23.2
87.00871	23.9
88.04026	3.3
89.02380	1.6
89.04411	1.8
99.00883	11.4
99.04511	33.6
101.02435	41.3
111.00874	52.5
112.98787	5.1
115.00366	16.9
115.04002	15.7
117.01926	7.7
124.98820	2.4
125.02438	100.0
127.00348	2.1
129.01918	2.4
132.06633	3.3
133.06973	3.6
142.99849	3.7
143.03477	15.3
143.07111	3.9
145.01421	36.4
145.04956	2.0
154.99825	6.3
173.00885	4.8
175.02382	1.9
187.02477	22.1
187.06067	4.2
205.03528	44.7
205.05460	2.8
205.07085	7.3
205.08922	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	204.0876
Annotation	Casuarine
Peak:m/z	Relative Intensity
57.03442	14.9
59.01373	2.3
62.65247	0.6
65.32694	0.6
71.01384	27.4
71.01781	1.6
72.00896	1.7
76.39884	0.7
84.04539	1.3
85.02946	6.2
88.04037	94.2
89.04377	0.8
102.05605	11.4
109.46485	0.7
112.04063	0.9
115.03979	1.3
128.83176	0.7
132.06659	100.0
133.07011	1.6
204.08757	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0352
Annotation	(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
53.59918	3.0
55.01878	8.9
57.03445	13.9
59.01378	73.6
67.01899	6.9
68.99816	10.2
70.65873	9.7
71.01376	82.9
71.05006	5.4
72.99303	45.6
73.02950	33.5
75.00873	30.1
80.26089	3.2
83.01382	24.9
83.05027	5.5
85.02943	28.4
87.00868	40.8
88.04042	8.2
89.02438	14.8
89.04398	5.3
96.99313	4.8
99.00872	54.9
99.04523	11.9
101.02434	33.4
103.00355	4.0
111.00877	100.0
112.98804	81.7
115.00367	76.2
115.04021	6.4
117.01951	18.0
121.54346	2.9
124.98824	8.9
125.02451	25.0
127.00368	10.7
129.01933	20.3
132.06641	6.1
133.01413	3.8
133.07011	7.4
142.85689	3.0
142.99806	16.5
143.03511	9.4
143.07101	5.7
145.01430	32.2
145.05049	5.3
154.99881	21.4
157.01376	6.7
173.00928	16.5
175.02455	7.0
187.02451	11.4
187.06108	3.5
205.03580	17.8
205.07158	8.9
205.09042	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	203.9998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57771	0.1
56.95689	0.1
59.01374	4.4
60.01711	1.9
61.01801	0.4
61.98828	100.0
62.02134	0.1
70.65238	0.2
70.65596	0.3
101.15359	0.1
102.40379	0.1
124.19738	0.1
151.78537	0.1
160.03647	0.2
183.54796	0.1
203.99962	1.3
204.02608	0.9
205.16138	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0875
Annotation	N-Acetyl-L-rhamnosamine
Peak:m/z	Relative Intensity
55.01859	1.1
57.03445	15.6
58.02967	1.2
59.01377	8.2
67.01891	1.1
70.92377	1.1
70.92700	1.3
71.01381	31.1
72.00893	1.3
72.04578	1.1
72.99301	3.6
73.02943	2.6
74.02462	0.9
75.00877	2.5
83.01372	1.3
83.04999	1.3
84.04542	1.4
85.02951	13.5
87.00873	4.5
88.04036	88.8
89.02440	1.0
95.36215	0.7
99.00872	4.2
99.04530	1.7
100.04000	0.7
101.02443	2.8
102.05611	11.5
104.96055	0.7
111.00868	12.4
112.98792	1.7
114.05621	0.7
115.00372	6.0
115.04037	1.8
116.03536	1.0
117.01948	2.0
124.98808	1.3
125.02471	4.4
127.00399	0.7
129.01935	1.4
132.06662	100.0
133.07040	1.4
142.99854	2.2
143.03474	1.1
143.07155	0.9
145.01404	2.5
154.99889	1.9
160.04068	1.0
173.00908	1.7
186.07654	1.3
187.02521	1.5
204.08762	32.0
205.03468	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1495
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
59.01376	3.9
61.98811	0.5
69.03434	0.4
71.53117	0.5
75.13287	0.2
87.04510	0.3
95.01351	0.5
111.04506	0.4
113.02418	0.3
120.62949	0.3
125.09725	0.5
126.92600	0.3
127.11289	0.7
129.22482	0.3
138.69955	0.2
139.07567	0.3
139.11255	0.9
155.13242	0.5
155.14413	5.2
157.08676	0.4
173.05992	0.4
183.10187	0.5
183.13884	1.9
199.13441	0.6
201.02054	0.5
201.05562	0.8
201.11198	2.1
201.14944	100.0
202.15294	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	203.0825
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
55.23980	0.6
57.03459	0.9
59.01380	5.7
60.44567	0.6
61.98854	0.7
69.99131	2.8
71.01378	1.8
72.00496	1.2
72.00906	25.5
74.02469	32.5
77.87677	0.6
97.06591	1.4
103.92014	2.7
106.20344	0.6
106.91821	0.7
112.98797	1.7
113.02470	1.0
116.05058	100.0
117.05417	2.2
130.06633	3.0
131.04997	2.2
132.08171	0.8
140.98297	0.9
142.06610	27.3
154.67081	0.8
157.07639	0.7
159.07983	1.1
159.09274	20.1
161.04834	1.1
185.04596	1.2
186.05637	4.2
203.03383	2.2
203.08249	77.7
204.08553	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	201.113
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
53.84636	0.7
55.01877	3.3
56.10990	0.6
57.03448	11.8
58.00580	2.6
59.01376	4.2
59.05006	0.9
69.03451	5.2
69.41515	0.6
70.74634	0.6
71.01376	2.8
71.04642	1.2
71.05019	18.8
71.53232	0.6
71.53649	0.9
73.02927	1.5
81.03467	0.6
83.01382	1.7
83.05016	1.3
84.98862	0.6
85.02950	10.0
85.06622	0.7
87.04514	25.0
89.46540	0.6
97.06551	0.9
101.02439	1.9
111.08129	0.9
113.02439	18.2
119.08684	1.0
121.10223	10.9
125.09718	3.7
127.11288	7.4
130.02722	0.8
130.08780	1.0
131.03505	11.0
133.12660	0.6
137.09712	1.8
139.07614	1.0
139.11288	21.6
155.10786	6.0
157.12296	0.9
160.02983	0.6
165.09192	8.0
171.10225	2.4
183.10248	50.6
184.10654	1.2
199.09743	3.1
201.11310	100.0
202.11661	1.8
223.66969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1131
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
56.95459	0.5
57.03448	6.4
59.01371	1.7
69.03468	0.7
69.20809	2.8
69.21229	1.7
83.04998	0.5
83.58502	0.4
111.08155	6.0
113.45701	0.5
124.88416	0.5
137.09703	1.8
139.11282	95.6
140.11647	2.5
141.55243	0.5
157.12311	2.0
167.85768	0.5
173.06067	0.5
183.10251	46.1
184.10561	1.6
186.55994	0.4
192.22267	0.5
198.51025	0.5
201.01929	1.1
201.05568	1.3
201.11311	100.0
202.11678	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1339
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
56.96758	0.4
59.01368	0.9
61.98824	0.7
64.69351	0.4
67.15255	0.4
69.61321	1.3
69.61732	1.1
71.05010	0.8
78.05051	0.4
83.01377	0.9
92.99877	0.5
97.06580	0.8
98.38885	0.3
99.00871	1.3
99.08135	0.8
100.91863	0.4
111.00893	0.9
113.02446	1.5
125.06051	0.7
127.00346	0.6
127.04004	0.6
137.09700	0.4
153.12727	0.5
154.99910	0.5
155.10770	3.5
163.11229	1.0
169.12341	5.1
179.15297	0.4
181.12325	16.9
182.12685	0.7
197.11766	1.5
199.13380	100.0
200.13716	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04842	0.4
54.11398	0.6
59.01366	1.0
61.98830	1.1
65.00321	0.5
71.42825	0.7
86.29887	0.5
91.01862	1.1
97.06618	0.5
107.01385	2.3
114.02866	0.4
116.01402	0.5
118.03004	2.3
119.01389	2.6
125.09699	2.0
134.02499	2.2
141.01091	1.1
146.02368	0.6
153.01108	1.1
155.01398	0.6
170.01410	4.1
200.01184	100.0
200.13652	0.9
201.01573	2.4
201.11304	0.9
201.15009	0.6
208.87471	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70621	0.2
52.65535	0.3
58.03011	0.3
59.01379	100.0
60.01719	0.3
70.88563	0.8
113.04588	0.3
144.24382	0.3
157.03557	6.1
159.01495	2.1
180.23715	0.3
201.02545	17.1
202.02641	0.5
216.12920	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1339
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
50.85064	0.3
57.03450	0.6
59.01361	0.4
62.45761	0.3
69.62138	2.2
71.05020	1.1
96.76060	0.4
98.20575	0.8
98.82818	0.3
99.00886	0.7
111.00844	1.0
113.02443	1.5
123.08209	0.4
125.09709	1.8
127.04008	0.6
127.11279	4.1
137.09686	0.4
153.12836	0.9
155.10817	2.4
155.14302	0.6
164.24017	0.4
169.12317	0.6
171.10294	0.9
181.12344	1.1
197.11783	1.5
199.13390	100.0
200.13751	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	199.0974
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
50.89591	0.2
51.84087	0.3
53.91395	0.2
56.21056	0.3
57.03444	0.3
59.01356	0.5
69.21687	1.7
69.22092	0.4
71.05016	0.4
83.05033	0.5
85.02914	0.2
95.34982	0.2
98.20640	0.6
109.06623	0.3
111.00855	0.3
113.02451	0.5
127.04018	0.3
135.08067	0.2
136.98782	0.3
137.09715	5.9
155.10773	100.0
156.11122	2.5
181.08711	1.0
199.04156	0.3
199.09755	10.6
199.13446	1.0
199.17094	0.4
200.04729	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0974
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
55.01847	1.0
57.03438	1.7
59.01371	2.9
61.50827	0.8
67.01888	1.1
71.01381	4.2
71.05018	1.5
73.02930	6.2
80.20962	0.8
81.23730	0.8
83.05004	1.1
84.02170	2.1
84.29216	0.8
85.02963	4.5
86.03728	2.9
90.86403	0.8
95.05016	1.1
97.06575	4.5
99.00873	1.8
99.08170	1.7
111.00894	0.8
112.05294	7.4
113.02465	2.3
115.07623	3.1
125.06094	1.3
125.09718	1.5
127.04011	2.2
127.07635	2.0
127.11250	6.2
129.01944	3.6
130.01735	1.8
130.02710	35.7
137.09724	11.3
153.09227	1.2
155.10770	100.0
156.11081	2.3
171.10280	1.1
181.08714	2.6
199.06081	0.8
199.09752	10.0
199.13348	4.6
199.17079	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1546
Annotation	METHYL 10-UNDECENOATE
Peak:m/z	Relative Intensity
51.64961	0.5
57.03432	2.3
61.98806	1.0
69.03455	0.9
69.25916	4.1
69.88885	0.6
71.05037	0.7
80.02659	1.4
81.03452	2.4
83.05022	8.7
85.06590	0.6
95.01366	0.7
95.05008	4.2
97.06588	25.3
98.20699	0.7
109.06595	2.3
111.08158	20.2
116.92797	0.6
121.02937	0.6
123.00876	2.8
123.08168	0.7
126.90483	0.9
135.08131	0.6
137.09747	1.1
138.03232	1.2
147.11780	3.4
149.09724	1.1
153.05606	1.0
163.11275	6.7
165.12839	100.0
166.13174	2.1
166.99831	2.0
182.02199	4.7
197.04576	1.2
197.11880	1.6
197.15468	1.6
197.80756	0.8
209.11722	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	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01369	1.1
63.06742	0.4
69.03442	1.4
69.78326	0.6
69.78722	1.1
71.01334	0.4
75.28809	0.4
83.01388	0.5
83.05038	0.8
95.01378	1.3
97.02950	0.5
97.06558	0.5
109.02989	0.4
121.02920	1.4
123.00883	5.3
125.02488	0.6
126.90496	1.5
135.08205	0.5
137.02437	0.5
138.03235	1.5
141.09215	0.5
151.11243	0.7
153.01918	0.4
153.05562	1.7
153.09238	1.4
153.12891	2.9
166.38428	0.4
166.99821	3.6
169.12338	15.1
179.03452	0.5
179.10762	1.6
182.02223	10.0
183.02490	0.5
197.04642	3.5
197.11826	100.0
198.12137	2.7
209.61296	0.4
216.66074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74443	0.4
59.01366	0.9
61.98838	0.5
69.03437	2.3
69.99922	2.1
71.01407	0.4
83.05020	0.9
95.01374	1.3
97.02944	0.4
97.06611	0.6
98.19991	0.5
109.02905	0.7
112.01673	0.9
121.02973	2.1
123.00877	5.7
123.08121	0.6
125.02468	0.6
125.09707	0.9
126.90499	1.7
134.54837	0.5
138.03242	1.4
141.09219	0.6
151.00407	0.4
151.11232	0.8
153.01886	0.7
153.05536	1.6
153.09189	1.4
153.12860	3.4
162.41931	0.5
166.99857	4.7
169.12341	14.0
178.99808	0.9
179.10776	1.4
182.02205	11.5
183.02444	0.6
196.91325	0.9
197.04602	4.5
197.11823	100.0
198.12090	2.7
201.01875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.03444	0.1
59.01380	0.6
61.98827	1.0
69.03456	1.5
71.01377	0.3
81.03446	0.2
83.05028	1.0
85.06554	0.1
89.00325	0.1
91.01911	0.1
95.01385	0.4
95.05067	0.1
97.06577	0.4
98.20655	0.3
99.08179	0.1
103.97666	0.4
109.02988	0.3
111.04575	0.1
112.98596	0.1
116.92840	0.1
121.02947	0.3
123.00878	1.3
123.08166	0.3
125.02483	0.1
125.09724	0.4
126.90486	0.5
135.11775	0.1
137.09738	0.3
138.03262	0.3
141.09206	0.8
151.11304	0.7
153.01938	0.1
153.05592	0.3
153.09200	1.2
153.12849	3.5
154.13095	0.1
160.84196	0.5
162.83914	1.2
165.12866	0.1
166.99828	1.0
167.10757	0.2
167.17752	0.1
169.12329	15.8
170.12677	0.4
178.99814	0.1
179.10751	1.8
182.02213	2.4
196.91115	0.1
197.11815	100.0
197.80754	0.5
198.12131	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	197.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27949	0.1
50.30312	0.1
54.63686	0.1
59.01376	0.8
61.98831	1.3
68.99548	0.3
69.03452	1.7
69.77303	0.6
71.01363	0.2
72.74049	0.1
80.02670	0.1
81.03451	0.2
83.05001	0.9
83.41129	0.1
86.46870	0.1
89.42300	0.1
95.01398	0.4
95.05051	0.1
96.95963	0.1
97.06576	0.3
99.08144	0.2
103.97652	0.7
109.02988	0.2
110.14460	0.1
111.04562	0.1
112.01674	0.2
112.98555	0.5
121.02975	0.5
123.00874	1.5
123.08167	0.5
125.02448	0.3
125.09717	0.4
126.90508	0.6
135.11790	0.2
137.09712	0.3
138.03230	0.5
141.09241	0.9
147.82439	0.1
151.11285	0.8
153.01942	0.3
153.05539	0.5
153.09216	1.5
153.12845	4.2
154.09505	0.1
160.84256	0.5
161.09686	0.2
162.83899	1.7
166.99832	1.3
167.10606	0.2
169.12334	16.4
170.12679	0.3
176.48288	0.1
178.99893	0.2
179.10780	1.7
182.02205	2.8
183.02730	0.1
197.04741	1.0
197.11818	100.0
197.80795	0.6
198.12151	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	197.0202
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
50.00325	1.1
58.06638	0.4
58.31479	0.4
59.01368	0.9
61.98815	1.0
64.00672	0.4
64.11317	0.4
65.00323	0.5
65.01431	0.6
65.03954	0.6
65.99838	2.3
67.01880	1.1
68.01408	0.8
68.99811	0.6
69.03448	0.8
69.51947	0.3
69.82737	1.9
71.19687	0.4
72.99293	0.3
76.01907	1.2
76.33401	0.4
78.03496	2.8
83.01414	0.6
89.01447	0.6
89.99907	0.4
92.01398	1.0
92.64947	0.3
92.99810	0.7
93.03455	0.4
94.02978	1.5
95.01377	2.9
97.06551	0.5
101.02471	0.5
103.50147	0.3
104.01422	2.7
104.99826	0.7
105.02188	0.7
106.02968	1.2
106.65725	0.4
107.01398	0.5
108.02173	1.1
109.02956	3.0
112.01637	0.6
119.02527	0.6
120.00909	3.0
121.02934	2.0
122.02483	1.5
123.00873	6.9
125.01169	0.7
125.02472	0.5
126.90519	1.4
132.00940	0.8
133.01720	2.9
136.00412	0.7
137.02419	1.7
138.01979	1.7
138.03233	2.0
139.02792	0.5
150.01978	6.8
153.01926	0.6
153.05624	2.1
153.09193	0.6
153.12834	1.3
163.01521	1.0
166.99849	5.1
167.02141	2.0
168.01746	0.9
169.12354	1.1
178.99648	0.5
179.01059	2.6
179.10783	0.5
180.01744	5.1
182.02209	10.1
182.03798	0.7
182.05711	0.5
197.02032	100.0
197.04437	2.9
197.11800	7.8
198.02379	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.01880	0.7
55.11506	0.5
57.76179	0.5
59.01363	1.1
61.98832	2.6
68.99859	0.5
69.03424	0.6
70.54347	1.6
71.05006	1.1
74.92099	0.6
81.49773	0.6
83.05019	0.6
91.77288	0.5
95.01395	2.5
95.04950	0.6
97.06591	14.5
99.08159	3.4
107.01434	0.5
109.02929	1.0
109.06594	0.6
112.04074	0.6
116.92860	0.7
121.02954	1.8
122.03719	1.5
123.00877	6.9
123.04485	0.7
125.02450	1.5
125.09743	0.6
126.03214	0.9
126.90480	1.9
137.09703	1.7
138.03229	1.9
151.11214	0.8
153.01901	1.3
153.05585	1.7
153.12845	100.0
154.13167	2.4
161.49576	0.6
166.99872	5.7
169.12321	0.6
179.09169	1.1
179.10759	22.8
182.02194	12.0
197.02153	0.8
197.04536	4.9
197.08141	0.7
197.11810	15.4
197.13576	1.1
210.58293	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0509
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
57.03440	4.2
58.00589	1.5
59.01377	23.5
68.99820	1.2
69.03450	1.0
70.32439	0.7
70.85953	1.4
71.01373	11.2
72.99304	7.7
73.02959	0.7
75.00867	100.0
80.96503	2.5
83.01392	1.4
85.02951	8.4
87.00867	14.7
89.02435	10.4
97.77465	0.8
99.00878	8.6
101.02434	2.9
105.01957	4.4
111.00888	3.6
119.03519	0.9
129.01939	28.7
141.01968	3.8
142.30484	0.7
147.02972	2.4
159.02992	12.7
163.05116	1.1
177.04041	9.2
179.81412	0.7
195.05095	86.2
200.50047	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.0
57.03442	5.3
58.00583	3.1
59.01375	28.9
64.22630	1.4
69.03452	16.0
70.85431	2.5
71.01380	38.8
72.99311	4.7
73.02949	44.7
75.00862	2.3
79.01888	3.9
81.03449	4.8
83.01382	17.8
84.02152	2.6
85.02951	56.9
86.00101	7.2
87.00872	38.7
89.02446	3.6
95.01397	7.4
97.02944	22.8
99.00874	41.3
99.04517	2.0
101.02444	57.9
107.01402	2.5
111.00871	6.8
112.01620	2.1
113.02431	10.3
115.04013	3.2
117.01967	2.3
123.00891	6.6
125.02460	17.4
127.04011	2.4
134.03810	2.2
140.01160	7.5
141.01941	18.7
142.02678	3.1
155.03482	11.1
159.02946	4.1
161.04549	100.0
163.61072	1.7
175.06129	5.0
178.02629	2.9
191.05556	1.9
193.05397	3.3
193.07184	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0508
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
52.85485	0.4
52.99566	0.4
55.01881	0.6
57.03445	3.3
58.00576	0.7
59.01377	23.3
60.44887	0.5
69.63562	3.2
71.01379	10.9
72.99306	5.5
73.50122	0.4
75.00870	100.0
76.01213	0.7
83.01392	1.5
84.02197	0.6
84.04882	0.5
85.02942	8.9
87.00870	8.6
87.04512	0.9
89.02447	8.0
95.91125	0.5
99.00875	8.4
101.02419	2.6
111.00877	4.2
117.01929	0.5
129.01939	32.8
130.02255	0.5
135.27205	0.5
141.01939	5.3
149.04601	0.6
150.03273	0.5
151.04010	0.5
159.02977	16.4
165.22058	0.4
177.04018	2.8
180.04242	0.6
195.05087	84.3
196.05516	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50243	1.5
55.01870	8.0
57.03445	6.8
58.00594	5.4
59.01377	36.4
69.03460	17.4
69.81010	1.7
70.99909	4.6
71.01379	41.1
72.99313	6.9
73.02944	53.8
73.49660	1.9
75.00880	9.4
79.01884	3.1
81.03439	5.4
83.01392	19.8
84.02190	2.5
85.02947	66.2
86.00096	9.1
87.00355	2.5
87.00877	36.8
89.02435	2.8
93.03445	1.7
95.01392	10.5
97.02944	24.1
99.00877	45.2
101.02438	68.5
107.01453	3.8
111.00885	8.4
112.01685	5.4
113.02430	11.1
115.03968	3.1
115.62000	1.9
117.01894	2.8
123.00890	5.6
125.02436	21.1
127.04006	2.8
131.03479	6.4
140.01147	6.1
140.02226	1.9
141.01956	16.8
142.02701	5.7
148.53198	1.9
154.36377	1.8
155.03510	12.5
157.05031	2.5
159.02962	3.5
161.04541	100.0
175.06134	8.2
191.05678	3.5
193.07187	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56260	0.7
55.01880	1.7
57.03437	2.7
58.00589	0.8
59.01380	7.0
69.03452	3.7
69.22193	1.1
69.22602	5.6
71.01379	11.5
72.91714	0.6
72.99309	1.5
73.02945	12.3
79.01895	0.8
81.03463	1.3
83.01373	5.0
85.02951	13.4
85.99619	0.6
86.00102	2.3
87.00870	9.4
89.02467	1.0
93.03474	1.1
94.61674	0.5
95.01377	3.6
97.02950	7.6
98.19820	1.4
99.00877	9.3
101.02440	18.2
106.04250	1.5
111.00882	1.4
111.57114	0.7
112.01632	0.7
113.02441	3.4
115.04050	0.7
117.01941	0.7
117.03492	1.1
121.02953	3.5
123.00865	2.0
123.81206	0.6
125.02434	5.5
133.02939	4.6
134.03738	100.0
135.04027	1.7
137.02431	15.6
139.03998	5.4
140.01184	1.7
141.01923	5.1
142.02718	0.8
148.84023	0.7
149.06075	25.0
150.03207	2.1
150.06422	0.9
155.03481	3.1
159.03015	1.1
161.04553	28.9
175.06117	1.9
178.02705	59.0
179.03131	1.4
191.05699	1.0
193.05055	33.5
193.07155	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0349
Annotation	Pisonin F
Peak:m/z	Relative Intensity
58.03512	0.3
59.01377	2.8
60.14254	0.3
63.69599	0.3
65.33725	0.3
69.36236	2.1
73.02954	0.4
85.02939	2.8
87.00880	2.0
93.03448	1.0
109.44431	0.3
111.00861	4.5
119.05017	1.3
121.02949	100.0
122.03299	2.0
127.04018	0.4
129.01886	0.3
147.04514	5.2
163.04008	0.8
176.01117	0.6
191.01967	0.6
191.03497	10.3
191.05591	6.6
191.07162	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.056
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03435	0.6
59.01370	1.8
67.01886	0.4
71.01376	1.2
71.21927	0.4
71.22263	0.3
73.02937	0.6
81.03463	0.6
83.05016	0.7
85.02947	15.4
86.03284	0.3
87.00872	3.7
93.03460	3.8
99.04496	0.5
109.02935	1.4
111.00880	2.7
111.04496	1.0
127.04002	2.8
129.01929	0.3
171.02979	0.6
173.04492	1.3
187.67665	0.2
191.05598	100.0
192.05986	1.9
197.51659	0.3
203.15199	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0767
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
54.39434	0.7
59.01376	28.2
59.08343	0.6
64.45528	0.6
68.88995	0.6
71.52172	0.8
81.66444	0.6
83.05020	10.9
83.05486	1.0
85.06592	4.6
85.50595	0.6
87.00883	1.4
91.74493	0.6
109.06581	3.1
111.04518	10.5
117.03510	0.8
127.07645	78.1
128.07964	1.4
129.05574	100.0
130.05884	1.6
143.07133	1.3
145.04887	2.1
161.02446	0.6
171.06630	10.1
189.01900	1.3
189.07669	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	191.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	7.2
59.01369	4.1
65.38126	0.6
67.01892	3.1
69.03467	0.8
70.07179	1.8
71.01385	4.3
73.02945	1.6
80.86420	0.5
81.03458	0.6
82.71606	0.6
83.01391	0.6
83.05035	0.8
85.02946	47.8
87.00874	39.5
87.09158	0.5
88.91257	0.6
93.03458	6.4
93.33205	0.5
99.00893	0.9
99.04520	1.0
101.02443	1.8
109.02976	2.0
111.00878	79.2
111.04482	2.7
112.01231	0.8
112.98814	1.7
113.02470	0.6
114.77400	0.6
127.03998	3.3
129.01942	5.2
131.03491	0.8
137.02486	0.7
154.99930	0.6
155.53075	0.5
171.02988	0.8
173.00920	1.9
173.04550	2.1
191.02008	12.0
191.05597	100.0
192.05899	1.5
197.43056	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.2
58.00583	0.3
59.01377	3.2
63.70953	0.2
67.01885	2.7
67.32838	0.2
70.85102	0.7
71.01375	1.9
72.99310	0.4
73.02943	0.8
73.16176	0.3
81.03460	0.8
83.01379	0.5
83.05016	1.0
85.02946	36.0
86.03269	0.3
87.00873	33.4
88.01217	0.4
93.03451	5.1
99.00858	0.4
99.04522	0.8
101.02449	0.9
103.04010	0.4
109.02954	1.1
111.00874	61.8
111.04492	1.8
112.01213	0.9
112.98796	0.4
113.02394	0.3
127.03996	3.4
129.01926	3.8
130.99852	0.5
147.03012	0.4
153.01933	0.2
154.99767	0.4
171.02983	1.2
173.00851	1.6
173.04570	1.9
191.02017	9.1
191.05595	100.0
192.05916	1.8
203.77794	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97547	0.5
53.30585	0.6
59.01377	73.8
61.98827	4.7
71.01367	1.0
71.27530	1.5
83.04908	0.6
90.97125	1.3
97.06605	1.1
113.06071	2.1
115.02539	4.4
115.05511	0.9
116.01096	0.7
117.00433	7.0
125.06110	1.0
125.09711	7.8
132.98187	1.1
141.86844	3.6
142.89372	1.8
143.01988	2.7
143.07133	0.7
144.99911	1.6
159.01486	100.0
159.87881	1.2
160.01613	2.8
168.89005	1.2
186.95566	1.2
187.00983	14.8
187.04027	1.9
187.06119	2.1
187.07709	0.9
187.09705	4.2
187.13441	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0975
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
55.01873	0.9
55.86723	0.6
59.01371	1.4
66.79509	0.6
69.03433	0.7
71.01383	8.7
72.99310	7.6
75.01937	0.7
76.66128	0.7
76.92568	0.7
85.42375	0.8
87.00868	1.4
97.06585	100.0
98.06920	1.8
98.26399	0.7
99.00885	10.9
99.09711	0.7
105.07181	0.8
107.08691	3.7
113.06097	1.5
117.01938	1.2
123.08160	20.6
125.09710	7.0
141.09200	1.8
143.07108	1.5
151.07643	16.0
165.71631	0.7
167.07083	2.2
169.08727	5.6
187.03957	1.7
187.06181	2.2
187.09746	84.0
188.10170	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0767
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
59.01374	3.9
69.73769	3.6
71.05013	4.1
85.02968	0.7
85.06580	1.5
99.08152	38.1
101.06115	0.9
109.26868	0.6
119.05024	0.8
127.00341	0.7
127.07648	39.2
129.05574	100.0
130.05891	1.6
132.64267	0.7
144.04538	1.8
145.02965	0.9
145.08699	6.6
161.02437	0.7
170.88881	0.7
171.06607	8.0
189.05772	1.9
189.07680	61.2
190.08113	0.7
201.07401	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1181
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
57.97553	0.4
59.01384	2.4
61.68516	0.4
66.30511	0.5
68.99809	0.6
69.03455	0.7
70.87238	1.0
71.01384	0.6
83.05025	0.9
85.01556	0.4
85.02950	0.7
85.06535	0.4
97.02936	0.8
97.06577	1.4
109.06593	0.9
111.08131	0.5
113.02477	0.5
123.08143	1.2
137.09708	0.8
139.11279	1.1
141.01894	0.5
141.05547	0.7
141.07121	0.5
141.09206	3.0
141.12843	0.5
149.09732	1.3
155.10768	28.3
156.11189	0.6
167.10760	24.8
183.10252	1.0
185.00934	0.5
185.11807	100.0
186.12160	2.2
192.96506	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1182
Annotation	Epomediol
Peak:m/z	Relative Intensity
59.01377	33.9
61.38493	1.0
61.83429	1.0
69.66802	2.1
69.67208	2.9
71.01379	3.5
71.05012	6.2
73.75526	0.7
80.47614	1.0
89.02238	0.8
102.12961	0.9
109.06628	0.9
111.08144	1.2
115.04005	94.5
116.04352	1.6
141.09149	0.9
145.90222	0.8
158.57489	0.9
167.10774	15.1
183.10246	3.2
185.11813	100.0
186.12198	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	186.0559
Annotation	Indoleacrylic acid
Peak:m/z	Relative Intensity
65.49748	0.2
71.00935	0.4
73.62042	0.2
95.36270	0.2
104.50198	0.1
111.00887	0.2
116.05070	1.5
127.32336	0.2
140.05066	0.5
142.06615	100.0
143.06950	2.2
158.06076	0.4
186.05589	2.6
187.05907	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1387
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
65.03949	0.2
69.64312	0.5
71.01373	0.1
72.85527	0.1
85.02010	0.1
94.73731	0.1
111.00909	0.2
112.98576	0.2
139.03987	0.2
165.01942	0.1
168.00616	0.3
173.22699	0.1
183.00623	0.3
183.13887	100.0
184.14223	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	183.1389
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
55.69731	0.2
65.26354	0.2
70.04120	0.8
72.25822	0.2
89.34197	0.2
97.73161	0.2
99.66649	0.2
130.23335	0.2
165.12859	0.2
181.24625	0.2
183.13881	100.0
184.14217	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	184.0615
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
59.01377	50.7
69.03451	1.7
69.48381	2.0
69.48788	4.0
70.02979	1.9
71.01379	12.8
75.72864	0.9
84.04551	9.4
94.02966	3.3
95.05028	2.3
96.00876	0.9
96.41714	0.7
97.01683	6.1
97.02951	1.1
97.18475	0.7
98.02470	1.8
98.06117	2.1
98.20705	1.7
110.02456	3.3
112.00407	1.1
112.04045	100.0
112.07661	3.6
113.02473	1.7
113.04385	1.6
113.06064	3.2
122.06097	8.3
124.04038	73.6
125.04405	1.3
140.07175	36.9
141.09181	1.4
166.05089	5.2
184.06142	85.6
185.06413	1.8
199.89136	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1388
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
59.01362	0.3
61.98825	0.2
65.03955	0.3
67.01884	0.3
67.85532	0.1
68.99565	0.4
69.03448	0.2
69.82066	0.5
69.82468	0.3
75.07121	0.1
79.05527	1.4
81.03461	0.1
83.01391	0.2
83.05036	0.2
84.17715	0.1
95.01381	0.3
95.05015	0.3
97.02904	0.2
98.20674	0.2
111.00904	0.5
111.04532	0.2
112.00390	0.2
112.98546	0.6
121.06577	0.3
123.00861	0.3
123.04549	0.2
124.01651	0.4
137.02452	0.3
139.00346	0.3
139.03990	0.5
139.07646	0.4
139.11320	0.2
144.62180	0.2
152.98196	0.3
153.00580	0.2
158.82648	0.1
165.01907	0.6
165.12747	0.2
168.00674	0.7
183.00597	0.8
183.02977	1.6
183.13885	100.0
184.14238	2.9
192.60356	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	183.1384
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
65.03954	0.5
66.46768	0.4
67.01890	0.7
69.12606	0.3
69.93282	0.4
71.05012	0.5
95.01390	1.3
100.26250	0.4
107.11185	0.4
111.00869	1.2
112.98551	0.9
123.00877	2.8
124.01691	0.5
124.98866	0.6
137.02478	0.4
139.00365	0.6
139.03990	1.2
139.07632	0.6
146.50232	0.4
152.00836	0.3
153.00645	1.7
168.00650	0.8
183.00485	12.6
183.03006	1.4
183.13885	100.0
184.14195	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	183.1385
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
55.46305	5.4
56.19730	4.3
56.85472	4.8
57.03442	21.6
58.25232	4.7
62.39371	4.6
65.03957	8.6
68.99567	11.6
69.03431	7.6
69.35873	40.9
71.01402	5.0
83.01417	5.0
83.05025	7.6
92.82720	4.9
95.01403	12.1
95.05005	5.6
98.19865	11.3
109.02972	5.9
111.00877	16.1
111.04572	6.3
112.98595	15.3
120.71672	5.1
121.06583	7.9
123.00895	13.4
124.01642	6.7
137.02428	6.0
139.00450	6.3
139.04004	10.6
139.11269	10.8
152.98282	7.7
153.00673	7.5
165.01913	12.1
168.00644	19.8
177.51280	5.1
183.00523	48.5
183.02975	40.3
183.06641	8.4
183.10242	20.6
183.13895	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0046
Annotation	2,4-DINITROPHENOL
Peak:m/z	Relative Intensity
51.02373	0.3
67.01888	1.9
68.01401	0.4
68.99837	0.5
69.03446	0.7
69.14758	0.4
69.15569	3.2
69.15847	0.4
69.90041	0.3
79.01888	1.1
80.65152	0.3
95.01385	7.5
97.02936	0.5
98.19906	0.6
109.01695	1.4
111.00853	0.5
112.98589	0.4
113.03618	0.3
118.22640	0.3
123.00883	19.8
125.01173	1.7
126.84264	0.3
136.09592	0.3
137.01170	1.3
139.94888	0.3
140.79260	0.3
153.00673	17.5
165.01889	0.4
168.00630	0.6
183.00461	100.0
183.10327	0.5
183.13786	0.5
184.00795	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0506
Annotation	3,4-Dihydroxyphenylpropanoate
Peak:m/z	Relative Intensity
53.15887	0.4
57.66105	0.4
59.01390	1.6
65.00345	1.8
69.32230	3.4
69.56669	0.5
71.01390	1.5
83.01402	0.4
89.02445	0.8
93.03444	1.0
95.01363	2.6
97.02959	1.5
98.19911	0.9
101.02435	1.1
102.13708	0.4
105.03478	0.8
107.05096	0.5
108.02184	0.5
108.56919	0.4
108.68729	0.4
109.02962	1.5
121.02982	1.1
122.03733	0.8
123.00912	2.1
123.04515	1.9
124.01637	2.7
137.02475	1.4
137.06116	1.5
138.02036	1.7
138.03212	17.3
139.04025	5.2
151.00363	4.0
156.87976	0.4
165.01933	2.8
166.02704	100.0
167.03073	1.7
180.60037	0.4
181.01576	1.6
181.05054	81.5
182.00990	0.4
182.05334	0.9
198.01756	1.3
198.54718	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.056
Annotation	1D-chiro-Inositol
Peak:m/z	Relative Intensity
57.03452	1.6
58.00593	3.6
59.01379	66.3
71.01382	38.1
71.04994	2.8
71.13736	2.4
72.99301	13.4
73.02956	10.3
75.00873	100.0
76.30293	1.4
81.03443	5.7
83.01383	2.4
85.02935	9.8
87.00875	19.7
89.02444	24.6
90.98656	1.5
95.01346	1.3
95.51218	1.3
97.02986	2.5
99.00871	7.5
99.04510	2.7
99.20615	1.4
101.02444	5.2
113.02444	4.3
117.01918	2.7
125.02432	3.4
131.03526	3.3
143.03496	11.7
147.18486	1.5
157.73349	1.2
161.04558	18.8
179.05608	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	181.0506
Annotation	2,6-Dimethoxy-benzoic acid
Peak:m/z	Relative Intensity
65.00319	1.8
69.53869	2.4
82.80159	0.3
83.01407	0.3
85.93116	0.3
87.11027	0.3
89.00326	0.8
91.86466	0.3
95.01384	3.6
96.02205	0.5
97.02929	1.3
105.03494	0.4
118.04633	0.3
121.02937	0.4
122.03747	0.4
123.00870	1.1
124.01643	2.7
137.02420	0.9
138.03230	17.8
138.79736	0.3
139.04030	6.0
149.99576	0.5
151.00345	1.6
165.01875	3.1
166.02704	100.0
167.03055	1.4
180.93951	0.4
181.05058	83.2
182.05383	1.3
198.01607	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.056
Annotation	1D-chiro-Inositol
Peak:m/z	Relative Intensity
53.68071	0.7
55.27052	0.7
57.03450	0.9
58.00585	2.2
59.01378	39.4
61.70476	0.8
67.03082	0.8
69.36080	0.8
69.36698	4.7
71.01382	22.3
71.05020	2.5
72.99309	10.9
73.02943	7.6
75.00869	100.0
81.03455	7.3
83.01388	1.5
85.02944	6.9
87.00866	9.4
89.02442	14.0
93.80359	0.8
97.02937	2.3
99.00874	6.0
99.04542	2.9
101.02441	2.7
113.02435	2.3
119.03486	0.9
125.02437	2.5
131.03484	2.4
143.03497	12.2
161.04541	13.7
164.77454	0.8
167.35956	0.8
179.05600	76.9
183.43257	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0349
Annotation	Aspirin
Peak:m/z	Relative Intensity
52.00016	0.4
57.03451	1.7
58.00590	0.7
59.01377	14.8
61.13858	0.4
69.03454	0.6
71.01380	12.6
72.99313	1.7
73.02951	1.3
75.00878	3.1
81.03477	0.4
83.01376	1.1
85.02934	3.3
87.00031	0.4
87.00874	10.7
89.02442	5.8
91.05527	17.7
93.03450	0.8
95.01385	0.8
97.02968	0.8
99.00881	3.0
101.02464	2.1
107.01371	0.5
107.05047	2.2
108.02183	2.1
109.02951	2.7
113.02456	1.5
117.01958	1.8
119.03539	0.5
121.02959	1.6
123.04469	0.4
125.02450	1.0
134.03726	1.1
135.04521	100.0
136.04861	1.9
141.01910	0.9
146.03749	0.6
151.00348	0.7
151.03999	0.4
151.07678	0.5
159.02995	0.7
161.04550	7.1
161.05852	0.5
161.28001	0.4
162.76047	0.3
164.01149	1.0
164.04814	1.6
178.99872	0.8
179.03502	12.1
179.05600	10.5
179.07124	2.3
179.10681	0.5
180.03806	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.9
59.94133	0.2
70.36563	0.7
71.01406	0.3
78.46207	0.2
87.00893	0.4
99.93559	0.3
119.93714	1.1
134.96088	55.3
135.96161	2.0
136.94005	100.0
137.94089	3.2
151.92712	14.3
152.92776	0.6
161.04514	0.4
178.95055	80.4
179.05632	0.6
179.95158	2.5
196.96089	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0349
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
58.00594	0.4
59.01377	7.2
61.48575	0.2
69.03464	0.4
69.56117	0.4
69.56525	0.9
71.01381	6.8
71.05000	0.6
72.99300	2.0
73.02930	1.3
75.00871	18.0
75.37431	0.2
79.40259	0.2
81.03439	1.4
83.01379	0.5
85.02957	1.4
87.00877	5.3
89.02441	3.3
91.05523	0.4
93.03460	0.2
95.01357	0.4
96.96024	0.3
97.02920	0.5
99.00876	2.0
99.04512	0.5
101.02447	1.1
106.04208	0.4
107.01453	0.3
107.05041	1.7
108.02169	0.3
110.84950	0.2
113.02451	0.8
117.01939	0.7
117.03482	0.6
119.03493	0.3
121.02916	0.5
123.04582	0.2
125.02438	0.5
126.36046	0.2
134.03748	5.3
135.02774	7.3
135.04521	100.0
136.04819	1.8
141.01917	0.5
141.37978	0.3
143.03494	2.7
149.02438	0.6
151.00374	0.4
151.03963	0.4
159.02995	0.4
161.04549	3.4
164.01172	0.7
164.04732	1.0
179.03496	20.8
179.05602	12.3
179.07007	0.8
179.10750	0.3
180.03831	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0563
Annotation	(4S,5R)-4,5,6-Trihydroxy-2-iminohexanoate
Peak:m/z	Relative Intensity
57.03443	3.0
58.02969	2.0
59.01377	5.4
60.99294	1.1
69.36968	1.7
69.37381	2.2
70.02976	7.7
71.01382	2.8
72.00909	0.6
72.04549	5.8
72.99305	0.5
73.02935	1.1
74.02472	1.2
75.00873	0.5
84.04543	28.3
85.02940	1.4
86.02478	3.8
86.15749	0.4
87.00871	1.8
87.04513	6.1
88.04063	1.0
89.02444	1.0
96.04544	2.2
97.02955	0.6
99.00880	1.1
100.04036	2.5
104.03550	0.9
114.05605	13.7
115.00334	0.8
115.04008	1.5
116.03518	1.1
128.03535	100.0
129.01903	1.0
129.03848	1.1
130.05106	0.7
133.05069	8.9
134.04610	1.3
146.04564	3.1
147.32410	0.5
158.04521	0.8
159.02957	0.8
165.25256	0.5
176.05606	15.6
177.04102	0.9
177.07649	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	175.0611
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
58.02977	0.4
59.01374	1.4
65.88467	0.4
67.21234	0.4
69.03455	1.4
70.83931	0.8
71.01376	0.7
73.02925	0.4
73.11610	0.4
75.87755	0.4
85.06586	24.0
87.00875	100.0
87.04512	7.4
88.01215	0.7
101.02434	4.9
103.34079	0.4
113.06089	17.7
114.28996	0.4
115.00335	0.6
115.04022	0.9
129.05573	1.9
131.07158	1.6
141.81343	0.4
157.05064	1.8
159.04369	0.4
175.06105	34.5
176.06422	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0611
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
59.01370	0.7
69.92650	1.7
73.02979	0.4
85.06586	24.9
86.06937	0.7
87.00872	100.0
87.04510	5.9
88.01224	0.9
89.80099	0.4
96.14207	0.4
101.02441	5.6
113.06088	17.2
115.04018	0.8
129.05542	1.7
131.07159	1.2
142.43724	0.4
157.05080	1.9
175.06107	37.1
176.06400	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0167
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22469	7.0
59.01377	39.9
67.74503	7.6
69.14928	50.4
69.15345	27.7
71.01376	31.9
72.99297	7.7
83.01383	8.6
87.00869	73.8
94.03796	21.3
95.75092	6.9
98.19934	17.7
112.56712	7.0
113.99170	9.0
115.00371	71.2
128.94272	8.1
146.06129	8.8
164.00121	7.1
169.65523	6.8
174.01689	100.0
174.88916	20.2
175.02376	21.9
175.06111	8.4
185.55600	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	174.0169
Annotation	Aminosalicylate sodium anhydrous
Peak:m/z	Relative Intensity
50.61998	7.9
59.01377	21.2
63.11199	6.8
69.15642	9.3
71.01366	31.2
71.53239	12.2
72.99297	9.0
83.01373	16.8
87.00872	45.2
90.71074	6.7
94.03766	12.1
99.17260	7.7
113.99174	12.0
115.00378	49.5
125.99159	16.2
136.91852	7.0
142.99867	19.0
144.00182	56.7
174.01700	100.0
174.88957	13.2
175.02492	17.3
175.03920	9.1
175.05998	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	175.0611
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
55.82880	0.4
57.03449	1.1
59.01382	4.1
66.02707	0.5
68.99831	0.6
70.00992	2.6
71.01369	1.4
73.45886	0.5
85.02964	1.0
85.06586	44.2
86.06945	0.8
87.00867	2.3
87.04518	1.9
99.74373	0.5
108.93011	0.5
112.17489	0.5
113.06086	39.8
115.00368	2.2
115.04008	100.0
116.04356	1.4
126.72102	0.5
129.05589	2.5
131.07150	7.5
157.05049	8.7
174.88956	1.0
175.06107	59.7
191.95706	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1182
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
57.03441	0.5
59.01366	1.0
64.71765	0.2
67.01884	2.2
69.03449	0.6
71.01382	1.3
71.53675	0.5
72.99309	0.8
73.02946	1.1
76.30136	0.3
81.03465	0.2
83.05019	0.8
85.02928	0.6
85.06594	0.3
93.03457	7.8
94.03781	0.4
97.06589	1.1
99.00873	0.7
99.04543	0.4
111.00861	1.6
111.04514	2.0
111.08150	1.1
127.11292	9.9
128.11659	0.4
129.05681	0.3
129.09210	0.9
131.07103	0.4
137.02412	0.4
141.05547	1.2
142.99858	0.3
154.99840	0.3
155.10803	2.3
156.16518	0.2
171.10266	1.0
173.02429	0.6
173.04555	1.1
173.11816	100.0
174.12149	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	174.0168
Annotation	Aminosalicylate sodium anhydrous
Peak:m/z	Relative Intensity
59.01355	15.6
63.44141	6.8
69.55911	44.3
71.01376	21.8
72.01669	6.9
72.99306	11.8
79.58404	6.9
82.44885	5.9
83.01362	17.3
83.17377	6.7
86.07424	6.4
87.00881	37.1
94.03783	10.0
98.20752	10.9
115.00391	35.9
132.02138	31.1
144.00024	7.1
144.80455	6.3
146.06125	9.3
160.01659	71.4
174.01691	100.0
174.05504	8.5
174.89037	8.5
175.02460	7.5
175.03929	13.0
175.07610	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	173.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	1.9
55.01873	5.6
57.03431	6.0
58.02979	16.9
59.01378	14.6
61.69387	1.1
67.01893	6.5
68.99825	1.7
70.49747	1.1
70.90129	2.5
71.01380	100.0
71.68376	1.0
72.04547	1.9
72.99318	6.0
73.02947	9.1
76.84448	1.1
80.99828	1.3
83.01389	9.8
83.05023	1.9
85.02947	18.5
85.06587	3.3
87.00871	8.0
87.47758	1.1
93.03445	8.5
96.99318	4.3
99.00877	39.9
99.04543	3.0
111.00886	19.1
111.04513	36.5
112.98804	55.0
113.02430	1.6
115.00368	6.9
124.98801	25.9
125.02416	1.7
128.07153	3.8
129.01917	4.4
129.05550	3.4
129.94420	1.2
131.08237	2.0
132.06667	2.7
140.98235	2.0
142.99857	72.8
154.99901	1.3
155.03494	20.7
173.00894	11.9
173.04521	11.6
174.07657	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	173.0453
Annotation	Shikimate
Peak:m/z	Relative Intensity
51.08707	1.0
53.00301	2.2
55.01878	7.2
57.03447	7.9
58.00601	1.6
58.02976	18.0
59.01375	13.8
65.03957	2.3
67.01881	7.8
68.99809	6.1
69.03448	1.1
71.01379	100.0
71.05035	1.2
71.30646	1.4
71.30984	1.3
72.99295	7.5
73.02946	37.9
73.59452	1.1
80.99818	1.2
81.03431	3.2
83.01379	13.2
83.05029	14.4
85.02946	51.1
85.06574	2.2
87.00882	8.2
88.04048	1.1
93.03455	68.5
96.99291	4.2
99.00879	36.7
99.04520	16.3
100.07603	1.1
101.02412	2.9
105.33784	1.3
109.02872	1.4
111.00877	52.9
111.04518	59.4
112.98808	86.4
113.02458	1.8
115.00410	6.0
123.13085	1.0
124.98798	18.7
125.02443	3.5
127.03979	1.2
128.07172	2.7
129.00990	1.2
129.01929	16.1
129.05586	5.8
131.08275	1.7
132.06653	1.3
137.02432	18.0
140.98273	1.2
142.99860	69.9
143.03481	3.3
154.99806	2.0
155.02272	1.8
155.03485	26.0
155.04733	1.3
173.00908	10.0
173.03148	1.3
173.04533	21.4
173.09309	3.5
174.07651	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	171.1026
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
50.94466	0.4
69.20513	1.2
69.20932	2.5
69.23130	0.4
73.57554	0.4
99.08184	0.8
125.09707	2.5
127.07650	2.6
127.11269	5.8
127.83067	0.4
153.09213	1.8
171.01965	0.6
171.10262	100.0
172.10597	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.009
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
53.00309	2.5
55.01874	8.1
57.03454	7.8
58.00570	1.3
58.02971	16.4
59.01378	12.7
67.01892	6.6
67.05515	1.3
68.99801	3.3
69.03436	1.3
71.01382	100.0
71.05022	1.3
71.05804	2.4
72.99311	7.1
73.02940	22.5
80.99825	1.8
81.03445	2.9
83.01387	11.8
83.05016	10.1
85.02946	14.3
85.06604	6.5
86.21648	1.2
87.00889	7.2
88.04022	1.7
93.03453	38.5
96.99301	6.7
99.00877	38.3
99.04511	9.9
101.02434	1.8
111.00874	17.3
111.04515	63.1
112.98804	48.5
113.02466	3.6
115.00369	5.4
124.98798	25.3
125.02449	5.6
127.04047	1.5
128.07140	2.9
129.01939	3.5
129.05550	5.7
131.08252	1.9
137.02420	9.1
140.98238	3.0
142.99855	74.1
143.03506	2.0
155.03490	39.6
155.04756	2.1
173.00903	12.5
173.04533	26.4
173.09351	1.7
174.07759	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	169.0982
Annotation	BDNA
Peak:m/z	Relative Intensity
55.15160	0.7
57.03453	1.5
58.02988	0.9
65.00331	1.1
67.01869	0.8
67.03005	1.1
68.99812	1.2
69.03448	1.3
70.02994	0.7
70.19731	2.9
71.01372	8.9
80.96507	3.6
81.03455	1.1
83.01379	1.4
85.02933	1.9
85.63741	0.6
90.38728	0.7
96.96020	0.7
97.02950	2.8
97.06580	1.5
98.02438	1.7
99.00864	1.7
107.01376	1.2
107.05054	0.8
109.02982	0.7
110.02504	1.4
111.00867	1.9
113.02433	2.2
113.03619	0.8
114.87493	0.6
123.04484	0.7
125.02436	16.1
125.06075	2.8
125.09709	1.9
125.99607	1.5
127.05163	0.7
134.04724	4.6
137.73785	0.7
139.00398	4.0
141.01974	0.9
143.07118	1.7
150.97081	6.0
151.00351	2.1
151.04054	0.9
153.99033	2.2
154.01355	0.7
154.02731	2.8
168.83615	2.3
168.98152	5.5
169.01430	12.4
169.05052	1.7
169.09825	100.0
170.04610	1.8
170.10194	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	171.0662
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
59.01381	3.7
69.43980	2.3
70.64215	0.3
70.90922	0.3
71.01382	0.7
101.09293	0.3
107.05010	0.4
109.06579	9.4
110.06895	0.4
127.07645	100.0
128.07968	2.5
146.21964	0.3
148.67181	0.3
164.83229	0.3
167.81628	0.3
171.06580	2.3
171.10274	2.4
188.71773	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1394
Annotation	Nitramine
Peak:m/z	Relative Intensity
51.92476	0.3
58.02974	100.0
59.03308	0.5
61.98833	0.4
68.99823	0.7
69.03463	0.5
69.69930	1.9
70.02998	0.4
71.01406	0.3
81.03450	0.4
97.02938	0.6
98.19956	0.3
109.02453	0.4
122.89430	2.0
123.00858	0.4
125.02441	7.6
129.74017	0.3
131.18884	0.3
140.04311	1.0
141.41368	0.4
153.00583	0.6
153.01633	0.4
153.99039	0.6
168.03990	1.8
168.13918	11.2
168.83577	1.2
169.01453	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	167.0712
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
50.06656	1.1
55.01862	1.6
59.01365	2.5
67.01873	2.7
67.74924	1.3
69.03451	11.8
70.97637	1.3
71.01381	1.9
79.05526	4.1
80.02674	2.4
81.03455	2.5
83.05016	5.7
84.02150	3.8
85.02933	5.4
91.01913	1.6
91.05529	5.1
93.03451	18.4
93.07113	1.3
95.01377	7.6
95.05036	9.0
97.02944	5.9
97.06581	5.4
98.03735	6.5
101.83771	1.4
105.07068	2.4
106.04279	1.5
107.05022	51.3
108.02165	20.2
109.02933	4.0
109.06596	10.5
110.03738	2.9
111.00838	1.7
111.04543	2.4
111.08150	33.3
112.01610	1.8
121.02916	4.6
121.06596	11.1
123.00877	8.7
123.04517	32.9
123.08173	7.1
124.01661	18.5
124.05308	2.8
125.02444	2.6
125.06125	1.7
134.03682	2.1
135.04536	16.3
137.02461	10.1
137.06065	3.0
138.03215	23.1
139.04013	44.5
139.07643	57.0
140.07968	2.4
149.02397	3.9
149.06075	25.4
152.01141	39.3
152.04774	5.8
167.03485	100.0
167.07135	45.4
168.03835	2.0
170.02209	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	167.0382
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40028	0.4
69.40426	1.5
79.95715	1.2
85.06570	0.5
96.96006	100.0
99.04488	0.3
108.02173	0.8
123.04543	0.7
124.01595	0.3
137.05885	0.2
138.03207	0.3
139.04001	0.7
152.01149	2.3
163.69156	0.3
167.03813	39.2
168.04109	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0713
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
51.58299	1.2
55.01867	1.9
57.03452	2.5
59.01386	2.1
65.00327	3.2
65.03960	1.8
67.01875	3.2
67.77529	1.2
68.99802	2.9
69.03442	9.5
69.66794	5.6
69.67207	2.1
71.01362	6.6
71.05032	1.7
72.90854	1.4
79.05525	2.3
80.02672	5.0
81.03456	4.5
83.01382	3.1
83.05035	9.2
84.02164	9.8
85.02946	7.1
91.01889	2.8
93.03465	3.8
93.07093	3.0
94.41183	1.4
95.01385	11.7
95.05049	10.4
97.02959	12.3
97.06597	11.2
98.03726	6.0
98.19296	1.5
99.04533	2.9
105.07104	4.5
106.04255	2.1
107.05016	3.1
108.02170	42.8
109.02975	4.0
109.06585	17.5
110.03741	9.6
111.00902	3.9
111.04515	1.6
111.07386	3.0
111.08163	56.2
112.01664	33.2
119.05024	2.2
121.02943	5.8
121.06591	23.8
122.03732	1.9
123.00883	10.2
123.04524	42.2
123.08144	14.3
124.01667	37.3
124.05280	2.8
125.02436	5.6
125.06093	2.8
131.05035	2.1
133.86079	1.3
134.03737	5.4
137.02449	4.9
137.06047	4.1
138.03242	10.4
139.00343	2.1
139.04018	14.7
139.07646	100.0
140.08017	1.9
147.04639	1.4
149.02451	3.1
149.06078	60.4
150.06406	1.7
152.01151	76.2
152.04726	2.0
153.01871	2.6
166.99841	2.3
167.03490	51.6
167.04909	2.6
167.07130	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	166.0509
Annotation	4-Hydroxy-L-phenylglycine
Peak:m/z	Relative Intensity
53.07477	0.2
53.69600	0.2
55.18764	0.2
66.03484	0.4
69.85234	0.9
80.05048	0.2
83.05046	0.2
92.05053	0.7
93.03444	0.6
95.01392	0.6
98.75054	0.2
108.02177	1.5
109.02977	0.4
121.02949	0.6
121.05334	2.3
122.02471	0.4
122.03297	1.1
122.06101	0.3
123.00875	0.7
123.04494	1.2
124.01659	0.5
125.02418	0.4
135.04514	0.9
136.04224	0.7
136.05289	21.0
137.02408	0.4
137.05641	0.6
138.03232	1.2
138.05573	0.3
139.04001	2.5
149.02451	0.2
151.00345	0.4
152.01167	1.7
154.85028	0.2
166.05077	100.0
167.03481	7.3
167.05392	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	166.0509
Annotation	4-Hydroxy-L-phenylglycine
Peak:m/z	Relative Intensity
50.89678	0.1
55.80165	0.2
61.52288	0.1
66.03481	0.2
66.41554	0.1
73.94173	0.1
93.03487	0.8
95.01390	0.3
108.02203	0.8
121.02953	9.0
122.02472	0.3
122.03271	1.1
123.00851	0.3
123.04520	0.7
124.01657	0.4
127.77869	0.2
136.05301	9.3
138.03174	0.7
138.05566	0.2
139.04025	1.8
151.02745	19.4
152.01134	2.0
152.03061	0.5
166.05083	100.0
167.02429	0.1
167.03485	4.5
167.05417	2.2
183.01707	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	165.1284
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
51.86279	1.2
52.49389	1.0
57.03448	14.8
57.29708	1.0
59.01385	13.6
61.98826	3.5
65.00301	1.2
67.01898	2.2
69.03467	5.6
70.78767	3.2
71.01376	15.9
71.05029	1.9
72.99305	1.3
73.02949	5.6
75.00874	1.3
77.03948	3.2
77.51759	1.3
80.02700	3.1
81.03452	11.3
83.05022	21.5
83.05488	2.0
85.02952	4.9
85.06594	1.3
87.00876	2.6
87.04533	1.4
89.02444	10.8
92.99802	1.2
93.03453	6.5
95.05022	13.1
96.76395	1.2
97.06590	30.9
101.02464	7.3
101.03009	1.4
103.04004	1.6
107.05018	2.4
109.02935	5.7
109.06582	4.9
111.08156	42.2
119.05003	2.0
121.02957	100.0
121.06577	1.5
122.03256	2.3
123.04525	2.9
135.04596	1.7
137.02443	19.1
137.09737	2.4
145.68993	1.1
147.04497	3.6
147.11752	2.0
149.00964	2.0
149.09747	1.2
150.03215	4.6
153.39554	1.1
163.11307	10.2
164.83618	4.8
164.89673	2.6
165.01920	22.5
165.04201	1.7
165.05583	5.3
165.07722	7.7
165.09047	2.3
165.12842	73.0
166.02318	1.5
166.05106	2.3
166.13220	2.8
173.63210	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1284
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
50.16214	0.4
57.03446	24.8
57.09285	0.4
59.01369	1.8
61.08001	0.4
61.98823	0.7
67.05567	0.4
69.03452	1.1
70.36335	0.9
70.36724	1.3
70.76998	0.4
71.01376	1.6
71.05013	2.8
72.99313	0.5
73.02966	0.7
76.75018	0.4
77.03964	0.8
80.02692	0.5
81.03455	1.7
83.05019	5.0
85.02993	0.8
86.26309	0.4
89.02436	1.9
93.03455	2.1
95.05029	0.7
97.06591	3.1
101.02438	1.1
107.05056	0.5
109.02956	1.1
109.06581	3.1
111.08155	42.2
112.08490	0.8
118.62304	0.5
121.02953	21.6
122.03281	0.7
123.04459	0.5
130.10847	0.4
137.02432	4.6
147.04466	0.8
147.11748	1.2
149.00975	0.7
150.03209	1.0
163.11255	1.4
164.83595	1.0
165.01927	4.7
165.05557	0.8
165.12837	100.0
166.13214	3.2
167.24232	0.4
167.25938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0716
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
50.98155	0.6
54.13999	0.6
59.01389	1.2
69.94400	1.4
69.94790	1.5
71.01396	1.2
72.00912	37.6
75.00891	2.0
81.03466	0.5
85.02943	1.1
87.00903	1.3
89.02442	1.1
91.05546	1.6
92.05082	1.8
93.03462	1.5
101.02452	0.9
103.05531	3.1
109.02941	1.7
119.05025	4.2
120.04556	1.7
120.05360	13.1
121.02951	22.6
123.04466	1.1
135.04535	0.9
137.02428	3.5
146.06105	0.9
147.04523	100.0
148.04848	3.4
150.03249	5.7
164.03452	1.5
164.07162	56.5
165.01903	5.1
165.04082	1.9
165.05569	2.7
165.07652	1.1
165.09148	1.6
182.15054	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0716
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
55.83983	0.6
61.83296	0.5
69.63253	2.9
69.63656	1.1
71.37749	0.5
72.00907	37.2
91.05520	2.7
103.05536	5.5
119.05044	2.0
119.18530	0.5
120.05374	0.7
121.02950	1.5
131.77773	0.6
146.06067	0.6
147.04514	100.0
148.04865	3.0
164.07153	58.7
165.07501	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0404
Annotation	D-Xylonate
Peak:m/z	Relative Intensity
55.01873	4.4
57.03442	1.7
58.02000	0.7
59.01157	0.8
59.01384	8.0
70.19559	2.2
70.19910	1.0
71.01377	6.4
72.99308	7.2
73.02946	1.4
75.00872	100.0
76.01242	0.7
83.09859	0.7
85.02946	0.7
87.00873	43.2
89.02443	3.4
99.00880	6.3
101.02440	2.1
105.01933	35.4
105.58753	0.7
117.01936	2.9
128.17574	0.9
129.01945	12.6
135.03018	1.2
147.03006	6.6
159.70567	0.7
165.04037	62.6
166.04405	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1122
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
56.93349	1.7
57.34211	1.9
59.01364	1.5
61.65336	1.6
61.98829	13.3
69.65864	7.2
71.03613	1.5
71.58678	1.6
77.80504	1.6
91.01918	2.6
98.20229	5.7
107.04975	1.7
110.60982	1.5
112.45698	1.7
116.92082	7.0
118.99264	13.9
119.05021	79.3
120.05380	2.1
162.91339	1.7
163.00383	2.5
163.03981	6.9
163.11272	100.0
164.03470	1.6
164.11569	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	163.0401
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
56.86640	0.1
59.01389	0.2
61.02874	0.2
69.22698	1.5
91.05527	0.2
92.30618	0.2
93.03453	1.2
96.36881	0.2
98.19898	0.3
99.60613	0.2
104.33427	0.2
116.42760	0.2
117.03387	0.2
119.05023	100.0
120.04537	0.3
120.05346	2.2
153.74323	0.2
158.46503	0.2
163.03999	9.1
164.04408	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.04
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
57.44099	0.2
59.01386	0.7
67.25342	0.2
70.38385	0.8
79.31365	0.2
91.01857	0.3
91.05530	0.3
93.03458	1.1
101.02443	0.4
106.83180	0.3
119.05020	100.0
120.05358	1.9
133.01765	0.2
138.97325	0.3
152.31110	0.2
162.89413	0.4
163.00357	1.1
163.02574	0.5
163.03996	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	163.0764
Annotation	Isoeugenol
Peak:m/z	Relative Intensity
59.01374	0.6
60.89894	0.1
69.49471	0.8
71.01398	0.2
72.99293	0.1
73.02943	0.2
91.01913	0.3
91.05525	0.2
93.03467	0.6
98.19396	0.1
101.02469	0.2
119.01427	0.1
119.05025	13.3
120.05355	0.4
121.02953	1.7
122.03765	0.2
135.00850	0.2
135.04448	0.3
135.08109	0.2
147.04523	2.6
148.05299	100.0
149.05632	2.5
149.06783	0.2
153.98848	0.1
162.89362	0.2
163.00391	0.7
163.03987	1.9
163.07642	5.1
163.11264	1.9
164.08005	0.1
180.33443	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	161.0456
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
55.01890	8.5
57.03450	30.3
58.00589	3.0
59.01379	80.4
61.79692	1.7
69.03454	8.1
69.85796	7.7
71.01381	71.4
71.05020	19.7
72.99302	10.7
73.02945	49.6
75.00865	5.8
75.40179	1.6
81.03465	10.5
83.01390	25.1
85.02948	100.0
87.00878	29.8
87.04526	6.1
87.42259	1.7
89.02443	17.8
95.01385	5.5
97.02930	11.9
99.00873	8.6
99.04520	67.6
101.02441	93.3
105.01998	2.0
113.02467	15.1
115.04024	9.5
116.73164	1.7
117.05590	9.6
125.02443	8.0
129.01892	2.1
130.15187	1.6
131.03511	38.2
133.02908	2.5
143.03491	32.2
161.02408	8.3
161.04549	75.9
161.08220	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	161.0455
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
55.01869	4.0
57.03448	72.5
58.02964	3.4
59.01379	50.6
69.03451	3.9
69.72654	6.9
71.01378	39.1
71.05014	16.6
72.99310	2.6
73.02947	23.1
75.00870	2.2
75.68633	1.4
77.77531	1.4
81.03449	5.4
83.01380	10.5
85.02948	41.4
87.00876	18.9
87.04527	3.4
88.04043	4.9
89.02438	7.3
89.04360	2.4
95.01379	4.5
97.02948	8.7
99.00903	6.3
99.04517	100.0
101.02440	63.5
113.02438	7.3
115.04006	12.6
117.05575	12.1
125.02437	5.6
131.03505	10.9
143.03497	43.5
161.02522	2.5
161.04555	57.5
161.06528	3.2
175.52640	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0399
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
52.46873	0.2
55.83324	0.2
58.25531	0.2
59.01376	0.4
70.83207	0.4
91.05530	8.4
93.03414	1.5
115.83580	0.2
117.03522	0.2
119.05022	100.0
120.05352	1.9
122.21709	0.2
135.04524	1.0
147.80722	0.2
162.89279	0.3
163.00414	0.5
163.04013	9.2
170.21066	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0244
Annotation	UMBELLIFERONE
Peak:m/z	Relative Intensity
55.01862	0.7
57.03446	2.1
58.00581	0.6
59.01376	10.3
65.00307	0.4
69.03448	0.9
69.43626	0.6
69.44054	0.7
71.01379	9.5
71.05009	0.2
72.99300	1.1
73.02943	8.0
75.00874	0.7
75.02613	0.2
75.11982	0.2
77.03946	0.3
81.03465	1.6
83.01384	3.1
84.02178	0.2
85.02945	13.0
86.03304	0.2
87.00866	1.9
87.04462	0.2
89.02445	2.4
89.03950	0.9
93.03476	0.2
95.01367	0.8
95.05009	0.5
97.02940	1.4
98.20673	0.3
99.00895	1.1
99.04512	0.8
101.02436	2.6
105.03465	0.3
110.22346	0.2
113.02438	3.2
117.03457	3.2
123.04523	3.2
125.02435	1.0
129.01881	0.2
131.03491	5.6
133.02948	14.7
134.03285	0.4
143.03499	0.2
146.03670	0.4
161.02432	100.0
161.04361	6.5
162.02820	3.4
162.05606	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23021	0.7
55.01870	1.5
57.03441	9.8
58.02974	100.0
59.01375	13.4
59.03303	0.8
62.58899	0.7
69.03459	0.9
70.02995	0.9
70.91745	2.0
71.01372	10.5
71.05022	2.7
72.04546	1.3
72.99290	1.6
73.02940	4.7
74.02473	5.9
81.03441	0.9
83.01395	1.4
83.57209	0.8
84.04544	18.8
85.02947	6.9
86.06130	1.8
87.00894	6.4
88.04039	78.2
89.04380	0.7
91.63279	0.7
97.02963	1.3
98.02482	3.3
98.06111	9.8
99.00883	2.0
99.04520	7.8
100.04053	2.8
100.20630	0.7
101.02424	5.4
112.04022	2.5
113.02454	1.8
114.05602	16.2
115.04037	0.9
116.03538	2.2
116.07182	1.7
117.05550	1.6
118.05103	23.0
125.02372	0.9
130.05101	18.0
130.06050	1.6
131.03510	1.9
139.10486	0.7
142.05080	9.2
143.03502	4.5
160.06151	58.7
161.04572	7.3
161.06535	1.2
176.77925	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33036	0.5
56.05059	0.4
57.03447	7.2
58.02973	71.9
59.01377	8.2
61.43224	0.4
70.01368	1.7
70.02979	1.2
71.01381	5.6
71.05035	1.0
72.04547	1.2
72.99326	0.5
73.02948	1.4
74.02476	9.0
75.00845	0.5
76.35397	0.5
78.79345	0.4
81.03458	0.7
83.01389	0.9
84.04543	28.4
85.02957	2.5
85.04850	0.4
86.06113	1.6
87.00877	0.9
88.04037	100.0
89.04374	0.9
95.72363	0.5
97.02981	0.8
98.02477	2.8
98.03313	1.1
98.06116	11.5
99.04478	2.2
100.04049	3.7
101.02449	2.7
112.04051	1.7
114.05604	9.9
116.03541	2.2
116.07154	0.6
117.05595	0.7
118.05102	18.3
128.03546	0.7
130.05096	26.6
131.03479	0.5
142.05110	6.2
143.03519	0.9
153.35945	0.4
159.89372	0.6
160.06148	54.1
161.04567	1.8
175.80318	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1078
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
53.97027	0.4
59.01358	1.1
67.01863	1.2
69.92191	0.9
69.92585	1.5
71.01378	1.1
83.01391	2.3
83.05006	1.0
84.00922	0.7
85.02940	0.9
99.04511	0.6
110.93130	0.5
111.00880	1.0
111.04552	0.7
111.08167	0.8
113.02400	1.1
114.05605	2.0
123.00877	0.5
127.00376	0.9
137.02390	0.5
140.01140	3.3
146.52376	0.4
152.51097	0.5
152.86885	0.5
154.99918	0.9
155.03508	1.9
155.10773	100.0
156.06618	1.1
156.11111	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	157.087
Annotation	Cleroindicin B
Peak:m/z	Relative Intensity
59.01374	14.9
60.48594	0.6
62.90432	0.7
67.05514	2.1
68.99796	1.3
69.03454	1.3
69.52956	0.9
69.53265	4.6
71.01379	13.5
83.01401	0.8
83.05025	1.2
84.99303	2.7
85.02946	1.5
97.02959	1.2
99.00871	1.1
109.06596	7.4
111.08154	4.7
113.06133	1.7
113.09722	1.0
115.00345	0.9
121.06561	2.2
127.00355	7.3
127.07649	40.7
128.08003	1.0
139.07645	28.9
140.07954	1.2
155.07178	0.8
157.01372	1.2
157.08691	100.0
157.12311	2.9
158.09058	3.2
160.28142	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0714
Annotation	AC1OGP93
Peak:m/z	Relative Intensity
50.58758	2.5
55.01868	8.8
57.03441	11.8
58.00589	10.3
59.01378	72.8
67.01889	5.0
69.03448	3.9
71.01378	17.3
72.02176	8.9
72.99310	6.8
73.50606	2.7
80.02666	4.2
81.03444	5.6
81.07118	3.3
83.01385	17.1
83.05001	16.1
84.00914	4.5
84.02158	11.2
84.04580	2.9
85.02961	7.4
86.00094	16.2
88.84917	2.9
93.03479	4.2
95.01372	5.7
95.05017	52.3
96.96014	3.3
97.06584	14.3
99.08151	53.2
106.15789	2.8
107.05021	100.0
108.02150	6.0
109.02942	3.3
109.06576	11.2
111.00858	12.6
111.04510	8.3
111.08146	12.8
112.00382	3.6
112.01626	4.4
113.02455	4.2
113.06097	18.1
114.05604	12.9
119.28462	2.9
123.00907	3.6
123.04545	4.9
125.06066	36.4
127.00377	8.0
127.07630	27.3
137.02481	4.9
137.06055	8.3
140.01143	26.0
152.46762	3.6
154.99817	9.0
155.03497	9.7
155.07130	45.4
155.10796	5.1
156.06512	3.1
163.60641	3.6
170.46809	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	155.0713
Annotation	AC1OGP93
Peak:m/z	Relative Intensity
55.01868	5.7
57.03433	1.9
58.00591	11.5
59.01377	65.0
61.56865	2.0
64.27212	2.1
65.63287	2.0
66.82660	2.0
67.01898	2.3
68.99779	3.2
69.57755	11.0
71.01377	18.6
72.02166	9.2
72.99303	6.3
79.05533	2.3
81.03454	3.7
81.07110	4.1
83.01379	6.0
83.05004	9.7
84.02161	8.3
86.00101	15.1
93.03462	5.6
95.05020	43.4
97.06580	18.8
98.20657	2.7
99.08150	42.8
107.05027	100.0
108.02140	2.9
109.06576	10.2
111.00842	5.3
111.04488	4.8
111.05621	2.4
111.08119	5.0
112.01630	6.3
113.06078	19.6
113.48822	2.4
114.05605	29.3
119.05026	2.9
123.00774	2.3
123.04494	2.9
125.06078	36.7
127.00372	5.5
127.07642	32.4
137.06017	5.6
140.01161	15.5
154.99846	2.9
155.03502	3.4
155.07109	23.3
155.08241	3.7
156.06616	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	152.0354
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
50.93942	0.2
54.03296	0.2
66.03484	8.7
66.03838	0.4
68.99855	0.2
70.61631	0.6
70.61990	0.2
81.03458	0.6
83.01450	0.3
85.02940	0.2
90.02792	0.2
98.19991	0.2
107.05026	0.3
108.02171	15.6
108.04570	0.7
109.02231	0.4
109.02953	7.4
109.12458	0.2
110.00109	1.5
110.02461	0.2
113.15517	0.2
121.02943	0.8
122.03739	36.0
123.04627	2.1
124.01672	0.3
124.04871	0.7
125.02435	0.5
134.03712	0.7
135.04510	0.9
136.01662	0.2
137.02016	1.0
137.99594	1.8
151.00389	0.3
152.03529	100.0
153.01953	5.2
153.03856	2.9
153.05600	0.6
167.11928	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0557
Annotation	Hydroxytyrosol
Peak:m/z	Relative Intensity
50.79124	1.0
54.24544	0.9
59.90968	0.9
66.03480	2.4
66.68571	1.1
69.03449	6.7
71.19453	1.5
79.05526	2.5
80.02676	23.7
81.03464	6.8
82.02990	1.2
83.01398	1.0
83.05045	1.1
85.02830	1.1
90.01582	1.0
91.05536	6.2
93.03459	4.3
95.01389	1.3
95.05019	3.3
97.06581	12.8
101.05903	1.2
101.80310	1.0
107.05020	14.0
108.02170	100.0
109.02963	41.4
109.06583	14.7
110.00077	9.1
110.03754	1.5
112.01691	1.8
122.03744	1.1
123.00858	1.4
123.04552	17.7
124.01614	1.5
124.04026	1.7
125.02411	5.7
125.06081	20.8
126.06358	1.6
126.26793	1.0
128.75420	1.0
135.04510	11.4
137.99568	13.0
138.03250	9.0
144.00642	1.8
151.00327	2.2
153.00717	2.3
153.01938	34.0
153.03879	3.9
153.05579	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	151.0611
Annotation	L-Arabitol
Peak:m/z	Relative Intensity
51.78912	0.6
55.01871	6.1
57.03437	2.1
58.00603	2.0
59.01377	59.5
60.01731	1.1
63.96239	1.5
66.03478	3.9
69.03453	1.0
69.71212	0.7
70.55198	1.8
71.01378	100.0
72.01720	2.0
72.99291	1.8
73.02943	42.0
73.90266	0.7
75.00882	1.0
75.03384	1.0
78.98573	3.6
83.01370	3.7
85.02946	9.7
86.95617	0.7
87.00866	3.2
89.02441	58.2
89.38284	0.7
90.02765	1.3
91.02848	4.2
91.04006	2.8
97.03038	0.8
101.02439	68.8
102.02766	1.8
103.04010	1.6
107.05042	2.5
108.02171	2.6
108.04536	0.9
113.02459	2.5
115.04055	0.9
117.01948	12.6
119.03479	6.5
122.03744	1.0
123.00869	0.8
123.04518	3.4
123.05625	1.9
128.37546	0.7
131.03462	3.1
133.04047	1.4
133.05040	8.3
136.01656	18.4
149.04547	1.6
151.04008	6.1
151.05031	7.0
151.06108	51.2
152.03479	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	L-xylose
Peak:m/z	Relative Intensity
50.26133	1.3
50.61532	1.2
51.11084	1.2
53.51503	1.3
55.01874	1.8
55.48466	1.2
59.01368	10.3
69.03465	2.8
69.74964	7.4
71.01376	34.1
72.99304	2.9
73.02937	20.3
75.00868	4.4
79.95732	22.9
82.96114	1.7
85.02988	2.1
87.00877	12.4
89.02441	100.0
90.02727	1.7
93.03461	3.8
94.99286	1.6
95.01398	1.7
98.19993	2.2
98.95573	3.0
103.04002	5.5
105.03493	1.4
121.02946	16.1
131.03481	16.2
134.03731	5.3
148.95248	70.8
149.02516	14.3
149.04549	52.3
149.06015	8.2
150.00192	1.5
166.91588	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78912	0.6
55.01871	6.1
57.03437	2.1
58.00603	2.0
59.01377	59.5
60.01731	1.1
63.96239	1.5
66.03478	3.9
69.03453	1.0
69.71212	0.7
70.55198	1.8
71.01378	100.0
72.01720	2.0
72.99291	1.8
73.02943	42.0
73.90266	0.7
75.00882	1.0
75.03384	1.0
78.98573	3.6
83.01370	3.7
85.02946	9.7
86.95617	0.7
87.00866	3.2
89.02441	58.2
89.38284	0.7
90.02765	1.3
91.02848	4.2
91.04006	2.8
97.03038	0.8
101.02439	68.8
102.02766	1.8
103.04010	1.6
107.05042	2.5
108.02171	2.6
108.04536	0.9
113.02459	2.5
115.04055	0.9
117.01948	12.6
119.03479	6.5
122.03744	1.0
123.00869	0.8
123.04518	3.4
123.05625	1.9
128.37546	0.7
131.03462	3.1
133.04047	1.4
133.05040	8.3
136.01656	18.4
149.04547	1.6
151.04008	6.1
151.05031	7.0
151.06108	51.2
152.03479	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	L-xylose
Peak:m/z	Relative Intensity
51.43634	1.0
59.01383	7.3
60.45183	0.9
69.03462	2.0
69.56199	5.9
71.01012	1.7
71.01384	27.8
73.02946	24.2
75.00874	3.7
83.42943	0.8
85.02941	1.2
87.00873	11.8
89.02444	100.0
90.02773	2.1
98.20641	1.3
101.02434	1.5
103.04010	5.5
131.03499	13.7
131.33862	0.9
141.33601	0.9
149.04552	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	L-xylose
Peak:m/z	Relative Intensity
55.01848	1.3
59.01379	8.3
67.32775	1.1
69.03448	2.1
70.99296	2.6
71.01377	27.1
72.99314	1.4
73.02941	22.0
75.00881	5.4
85.02935	1.4
87.00879	11.4
89.02443	100.0
90.02784	1.4
101.02430	2.7
103.04005	5.0
131.03500	12.7
149.04549	56.1
150.04909	1.7
164.43242	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0768
Annotation	Isogentialutine
Peak:m/z	Relative Intensity
50.50887	1.9
54.62975	1.7
59.01352	2.6
60.08607	1.8
63.39537	1.8
69.71486	9.8
71.01379	8.5
73.02936	2.1
82.09290	1.6
87.00872	4.2
88.29553	1.8
89.02445	18.0
92.05078	3.7
93.03456	6.7
94.99294	1.8
95.05019	3.0
102.03477	2.7
104.05070	4.9
106.06616	2.6
111.84936	1.7
118.02986	2.1
119.50841	1.9
120.04555	2.4
121.02959	22.3
132.04564	4.3
148.04031	6.2
148.07678	100.0
149.02444	22.9
149.04504	10.1
149.06104	9.7
149.08038	4.2
167.26088	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0456
Annotation	alpha-D-Lyxose
Peak:m/z	Relative Intensity
53.27141	1.0
59.01380	15.6
62.60721	1.0
69.03443	2.7
71.01382	4.4
72.99308	16.5
73.02938	4.8
75.00871	100.0
87.00878	3.8
89.02439	9.4
93.03478	2.0
105.03445	1.5
121.02953	8.8
131.03510	6.8
134.03712	2.8
149.02528	10.2
149.04526	33.9
149.06018	8.2
149.72009	0.9
150.00200	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78069	1.2
59.01368	1.6
69.35496	9.8
71.01385	1.3
73.02948	1.2
77.03970	1.1
89.02454	3.4
91.05557	1.3
91.23898	1.1
93.03448	2.9
105.03463	4.0
119.05033	3.4
121.02954	21.7
147.04517	22.0
148.05299	100.0
149.02431	3.6
149.04521	1.5
149.05768	4.5
151.31296	1.2
157.03639	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0299
Annotation	2-Dehydro-3-deoxy-D-xylonate
Peak:m/z	Relative Intensity
55.01871	6.5
57.03443	10.9
59.01378	34.0
68.99809	7.2
71.01381	100.0
71.50790	4.2
71.51151	3.2
72.99302	5.6
73.02953	4.9
75.00879	17.4
83.01402	4.5
85.02938	21.3
87.00854	6.1
87.42308	3.1
88.14728	3.0
89.02444	10.7
99.00878	41.0
101.02440	11.9
101.06065	6.9
119.04982	5.1
120.35014	3.1
129.01910	6.9
147.01945	6.2
147.02954	11.7
147.04512	21.5
147.06625	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	147.0663
Annotation	(2-Ethoxyethoxy)acetic acid
Peak:m/z	Relative Intensity
51.03615	1.6
57.03445	19.3
59.01362	4.5
70.91529	1.9
70.91860	2.3
71.01385	6.5
71.05021	11.4
72.99319	2.7
73.02953	13.9
75.09335	1.4
75.35861	1.6
83.05017	2.9
85.02949	100.0
87.00880	18.0
98.51587	1.4
99.00912	1.5
101.02444	44.6
101.06086	27.3
103.04012	16.4
106.57457	1.8
129.01941	4.4
129.48515	1.9
138.54980	1.5
147.03018	9.3
147.06636	78.3
148.07031	2.2
157.50400	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0663
Annotation	(2-Ethoxyethoxy)acetic acid
Peak:m/z	Relative Intensity
57.03444	19.8
59.01372	3.7
69.24511	11.8
69.24913	4.7
71.01377	6.0
71.05023	12.0
73.02945	13.6
75.00879	2.4
85.02944	100.0
86.03355	2.2
87.00876	4.2
99.00890	3.0
99.04515	3.0
101.02438	55.7
101.06078	30.2
103.04018	20.4
108.36483	1.9
147.06624	94.5
148.06973	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	144.0667
Annotation	4-Acetamidobutanoate
Peak:m/z	Relative Intensity
54.07265	0.7
55.78325	0.8
58.02974	29.0
59.01376	1.3
60.11900	0.9
60.95098	0.9
69.64011	4.0
71.01390	2.4
71.05015	1.7
72.00914	2.3
72.04524	1.1
73.02944	2.0
78.81812	0.8
80.99541	0.8
84.04530	1.9
98.06104	1.3
100.07685	26.1
100.08351	1.4
102.05608	45.3
103.05954	1.5
126.05614	7.0
129.27905	0.9
133.89682	0.9
138.86771	1.0
142.05074	1.8
144.03012	2.6
144.04562	2.6
144.06667	38.2
144.96474	100.0
145.02977	1.2
145.05074	1.6
145.07033	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0871
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
59.15776	1.0
59.96302	0.9
62.21357	0.8
65.64085	1.0
83.01370	1.0
83.05052	1.5
84.81014	1.1
86.17417	0.9
87.54821	1.0
88.26824	1.0
97.06584	2.9
99.08157	100.0
100.08480	1.6
101.06081	2.4
117.03445	2.0
145.02927	2.4
145.05049	1.8
145.07088	4.8
145.08708	53.1
146.02478	3.7
146.09068	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	14.3
55.01877	2.2
55.77399	2.6
58.02970	5.3
59.01380	9.7
68.99818	2.6
69.03460	2.5
70.36266	3.6
71.01383	46.4
71.05025	2.0
72.99313	2.6
78.78535	2.0
80.99819	4.8
82.02981	2.7
83.01398	2.6
85.02963	8.0
87.00874	13.2
96.99322	16.6
97.02922	2.4
99.04500	10.1
100.04072	3.8
100.04889	2.2
100.07693	3.7
102.05607	10.3
106.69382	1.9
111.00891	3.0
112.98802	22.2
113.02425	5.3
115.00382	4.7
115.03960	4.8
124.98803	50.2
126.62261	1.9
138.10719	2.0
140.98276	6.3
142.99860	100.0
143.03502	9.4
144.03014	9.0
144.06679	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	15.2
58.02978	3.1
59.01369	8.3
61.13108	2.0
61.89983	2.0
63.08916	2.1
67.62440	2.3
68.99807	3.1
69.96310	9.8
71.01380	39.4
72.99290	2.0
80.99802	4.9
83.01370	4.7
85.02938	4.4
87.00887	8.6
89.78218	2.6
96.99303	15.0
99.04498	5.6
102.05608	7.7
112.98815	23.3
115.00399	4.1
124.98795	44.2
125.02509	2.3
140.98297	8.2
142.99857	100.0
143.03508	6.1
144.00230	2.7
144.06682	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	139.0401
Annotation	5-Methoxyresorcinol
Peak:m/z	Relative Intensity
53.03936	10.5
55.01871	4.6
66.48975	2.6
67.01886	9.3
68.99819	4.0
81.03450	5.1
83.01393	3.9
93.03440	3.9
95.05020	14.1
108.36795	2.9
110.23272	2.5
111.00874	23.0
139.00359	16.2
139.03999	100.0
140.04353	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	142.0662
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
69.35851	2.6
69.36283	1.4
71.01382	1.5
82.19517	0.5
82.29227	0.5
85.02937	0.9
94.35876	0.5
116.05052	1.8
142.06616	100.0
143.03568	0.7
143.06973	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	19.0
54.71710	2.4
59.01355	6.4
68.99816	3.4
69.03456	4.1
71.01383	53.5
80.99815	3.8
85.02958	7.2
87.00877	10.3
87.04495	3.2
96.99302	13.4
97.02958	3.1
98.19916	5.1
100.99097	3.0
107.49065	2.6
112.98793	26.8
124.98814	41.3
140.98274	12.1
142.05081	3.2
142.99849	100.0
143.03499	3.0
143.10811	2.8
144.00137	3.3
144.04500	3.0
144.06662	26.7
145.13448	2.7
159.98720	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	138.0197
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
56.78600	0.3
60.23543	0.3
68.13533	0.3
69.49020	0.4
69.49418	1.5
69.61195	0.3
71.48283	0.3
76.15348	0.3
78.65240	0.3
86.89171	0.3
93.03462	0.5
94.03758	1.5
108.02168	50.3
109.02498	2.3
111.00885	0.4
138.01962	100.0
139.02312	3.5
150.20992	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0198
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
58.19800	0.2
58.59152	0.2
70.90802	0.3
70.91147	0.5
83.01393	0.3
94.03816	0.8
94.98107	0.4
95.01406	0.3
108.02170	50.3
109.02500	1.9
111.00890	1.3
138.01965	100.0
139.00478	1.4
139.02327	3.9
139.04012	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	4.6
59.01369	2.9
68.84643	1.5
70.68237	1.6
70.68567	2.6
71.01379	100.0
72.99301	14.9
87.00877	27.6
87.04525	5.5
88.01222	1.5
89.02437	10.8
115.00368	83.9
121.31968	1.3
133.01419	23.2
133.05058	41.0
134.05382	1.5
137.79897	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28476	0.9
57.03454	7.4
59.01376	3.9
59.98526	0.8
67.71884	0.7
70.26067	0.7
70.50107	0.8
70.50431	1.8
71.01379	100.0
72.01711	1.8
72.99303	12.6
85.02932	1.3
85.89412	0.7
87.00874	34.2
87.04511	6.3
89.02438	11.9
92.43979	0.8
109.20278	0.7
112.67234	0.9
115.00371	78.3
116.00709	2.9
133.01431	21.9
133.05066	51.3
134.01755	1.0
134.05444	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0507
Annotation	1-Deoxy-D-xylulose
Peak:m/z	Relative Intensity
57.03448	8.6
59.01367	3.2
60.74904	0.6
66.45107	0.7
70.63649	1.5
71.01382	100.0
72.01721	2.6
72.99308	13.3
81.46162	0.7
82.35459	0.6
87.00874	31.3
87.04512	5.5
88.01247	0.8
89.02443	11.6
93.94099	0.7
102.39209	0.7
115.00372	78.6
115.04000	0.9
116.00710	2.2
127.37542	0.7
133.01428	21.5
133.05070	57.6
134.05435	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0507
Annotation	1-Deoxy-D-xylulose
Peak:m/z	Relative Intensity
57.03436	3.8
57.84281	0.9
59.01368	4.2
68.50180	0.8
70.65838	2.3
70.66168	1.0
71.01379	92.9
72.01698	1.7
72.99312	6.7
73.73464	0.8
81.05138	0.8
87.00876	40.8
87.04506	7.6
89.02448	11.0
90.22292	0.9
92.02548	5.9
95.76441	0.9
107.03636	28.2
115.00372	45.2
116.00707	1.9
132.86781	1.2
133.01422	12.7
133.05067	58.1
134.04718	100.0
147.57726	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.03
Annotation	Threonate
Peak:m/z	Relative Intensity
58.00600	0.8
59.01379	9.8
69.62377	4.5
71.01382	4.9
72.99310	16.3
75.00871	100.0
76.01208	1.1
87.00864	3.9
89.02448	8.7
89.67615	1.0
92.86195	0.8
117.01944	3.1
126.93918	0.8
135.02997	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	138.0198
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
52.08349	0.5
61.37719	0.5
64.80075	0.6
66.03503	0.6
67.01881	1.6
69.46236	2.9
69.46643	1.4
73.93807	0.5
77.78311	0.5
83.01372	0.8
83.05001	0.7
93.03461	0.6
94.03798	1.9
95.01363	1.1
103.16380	0.5
108.02169	51.4
109.02501	1.6
110.02477	0.8
111.00890	3.8
123.00891	1.8
123.03272	1.0
138.01962	100.0
138.05588	1.9
138.27589	0.6
139.00424	3.6
139.02301	4.3
139.03992	1.9
158.73047	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	(S)-Malate
Peak:m/z	Relative Intensity
50.13386	1.0
51.34879	1.0
53.20914	0.8
57.03450	7.4
59.01355	2.9
70.67376	2.2
71.01378	100.0
72.01708	2.5
72.99307	14.7
79.50710	0.9
87.00871	25.8
87.04493	5.5
89.02437	11.5
100.97828	0.9
115.00368	98.7
116.00742	1.7
133.00464	1.7
133.01430	26.9
133.05060	37.5
136.66443	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64997	1.2
54.61978	1.1
55.01862	2.4
57.03440	8.1
58.99264	1.2
59.87151	1.3
62.28438	1.0
62.57327	1.2
67.01892	15.0
68.99801	2.1
69.86432	5.6
70.40685	1.3
71.01382	2.0
73.02975	1.5
82.02973	2.7
85.02954	10.8
87.00842	1.3
91.85177	1.2
101.02422	1.8
102.65916	1.3
128.03534	100.0
128.07167	29.4
128.90131	1.6
129.01926	4.9
129.03836	2.3
132.36122	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0195
Annotation	2-Methylmaleate
Peak:m/z	Relative Intensity
55.01862	11.1
55.97703	3.6
57.03451	53.8
58.02976	11.5
65.00053	4.4
67.01891	100.0
68.99812	10.2
70.34692	13.4
71.01386	8.1
83.01405	5.9
83.56499	4.1
85.02950	42.8
88.04021	24.6
101.02394	5.8
105.40546	4.0
111.00863	5.6
111.06900	3.9
129.01961	30.5
129.07581	4.7
130.08743	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0874
Annotation	Isoleucine
Peak:m/z	Relative Intensity
52.36506	0.5
53.51148	0.5
58.02976	3.0
70.71440	1.5
71.01389	1.4
73.02940	2.3
76.44184	0.6
85.02944	1.0
87.04510	1.9
88.04037	3.1
130.08734	100.0
131.09102	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	133.0143
Annotation	(S)-Malate
Peak:m/z	Relative Intensity
50.61211	0.7
57.03448	3.8
59.01375	2.9
59.98524	0.9
62.76343	0.7
63.18892	0.9
69.46236	1.6
69.46634	4.4
71.01381	100.0
72.01724	1.4
72.99308	11.6
73.11132	0.7
79.59238	0.8
85.02977	1.0
87.00874	26.3
87.04498	4.2
89.02439	11.7
92.02539	3.4
107.03630	18.8
113.75806	0.7
115.00373	91.1
116.00703	2.7
132.86766	4.8
133.01436	24.2
133.05074	38.6
134.04718	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0765
Annotation	1-Oxa-2-oxo-3-methylcycloheptane
Peak:m/z	Relative Intensity
52.89442	4.8
54.82989	4.6
59.01386	8.1
69.41988	37.2
71.54310	4.7
90.27161	4.5
110.75442	4.7
126.90478	23.8
127.07652	100.0
128.07161	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	128.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64997	1.2
54.61978	1.1
55.01862	2.4
57.03440	8.1
58.99264	1.2
59.87151	1.3
62.28438	1.0
62.57327	1.2
67.01892	15.0
68.99801	2.1
69.86432	5.6
70.40685	1.3
71.01382	2.0
73.02975	1.5
82.02973	2.7
85.02954	10.8
87.00842	1.3
91.85177	1.2
101.02422	1.8
102.65916	1.3
128.03534	100.0
128.07167	29.4
128.90131	1.6
129.01926	4.9
129.03836	2.3
132.36122	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0503
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
59.01382	2.1
71.01378	2.7
71.53447	0.4
71.53856	0.5
72.99288	0.5
73.02938	0.4
78.03419	0.3
91.05517	0.6
93.03452	2.9
101.92425	1.0
117.03495	0.4
118.92622	2.7
119.05025	100.0
120.05360	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	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
69.44868	3.3
69.45275	8.2
83.86773	1.4
93.03464	5.5
94.02969	2.5
98.05659	1.6
104.06529	1.7
106.39169	1.5
106.94552	1.6
121.02953	100.0
122.02500	2.0
122.03311	5.3
127.07785	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0765
Annotation	1-Oxa-2-oxo-3-methylcycloheptane
Peak:m/z	Relative Intensity
59.01382	15.4
69.70708	20.1
71.01380	12.2
72.79164	3.4
85.02973	6.9
109.06577	6.6
126.90451	60.8
127.00349	22.1
127.03985	11.7
127.07647	100.0
128.03542	15.4
128.07167	20.7
128.07973	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	1189.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
82.03782	0.1
83.01378	2.9
87.79037	0.1
93.03456	4.9
95.00877	0.1
95.01382	0.4
95.05028	0.5
99.04506	0.1
101.02428	0.2
105.03470	0.1
107.01388	0.8
108.02187	0.1
109.02961	0.1
111.04521	0.3
113.02467	0.1
117.03483	0.1
119.05025	7.2
120.05349	0.2
121.02935	0.2
121.06532	0.1
122.03797	0.1
123.04523	23.9
124.01688	0.1
124.04850	0.6
125.02444	9.4
126.02785	0.3
135.04530	1.0
137.02441	0.2
139.04047	0.2
145.02882	0.1
145.06570	0.2
147.04506	0.2
148.01677	0.1
149.02432	1.4
151.00356	2.1
151.03976	0.2
161.06111	0.1
163.03979	0.3
163.07722	0.1
164.01144	0.1
165.05577	0.1
166.02679	0.3
167.03487	62.6
168.03819	1.5
169.06584	0.3
171.04529	0.2
179.03488	6.6
180.03816	0.2
185.06059	0.2
187.07692	0.4
189.05579	1.1
190.02777	0.1
191.03470	0.9
211.07616	0.3
227.07222	0.1
229.08670	0.9
239.03372	0.1
255.06602	0.6
268.03757	2.4
269.04144	0.1
269.08121	0.1
273.07657	100.0
274.07993	4.2
283.06110	3.9
284.06406	0.2
297.07639	0.6
315.08768	0.4
331.17709	0.2
349.18475	0.2
391.19946	0.4
435.12921	20.4
436.13248	1.2
465.19778	0.1
573.05927	0.1
753.22235	1.0
754.22260	0.1
953.88885	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	1187.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01389	0.2
105.03442	0.2
107.01392	0.9
109.02940	0.3
121.02957	0.4
123.00949	0.1
125.02428	0.1
133.02946	3.1
134.03717	0.2
143.69948	0.1
145.02879	0.1
148.01584	0.1
149.02431	1.0
151.00362	2.6
151.03935	0.1
171.04539	0.3
173.06073	0.1
174.03137	0.2
175.03996	1.5
177.01886	0.3
179.61938	0.1
183.04491	0.2
185.06067	0.4
187.04004	0.3
189.05493	0.2
195.04439	0.2
197.06061	0.2
198.03212	0.2
199.03990	1.6
200.04655	0.1
201.01956	0.4
211.03972	0.3
212.04750	0.2
213.05511	0.4
214.02650	0.1
215.03481	0.3
217.05043	0.8
223.03969	0.1
226.02664	0.1
227.03551	0.4
229.05066	0.3
239.03500	0.3
240.04381	0.1
241.05089	0.7
242.02356	0.1
243.02982	0.6
255.03024	0.2
256.03784	0.9
257.04520	0.3
267.02954	0.4
269.04404	0.1
283.02502	0.2
284.03259	12.4
285.04028	100.0
286.04373	4.7
297.04001	0.2
297.42719	0.1
299.05579	0.3
327.05011	0.7
364.92416	0.1
447.09235	0.2
549.22003	0.2
593.15070	75.3
594.15424	6.3
742.49493	0.1
769.21039	0.1
933.23785	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	1185.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01383	0.2
93.03464	0.5
97.02955	0.6
99.04530	2.4
101.02454	1.6
103.20751	0.2
107.01387	0.3
115.77102	0.2
117.03460	11.3
118.03792	0.3
119.05027	9.3
120.05362	0.3
121.02982	0.3
125.02446	4.6
132.02191	0.2
136.01662	0.4
137.02351	0.2
143.05019	0.3
145.02950	39.1
146.03282	1.5
149.02435	0.3
151.00360	0.8
151.03973	0.7
155.17818	0.2
159.04469	0.4
163.04005	8.5
163.52748	0.2
164.04382	0.2
164.57990	0.2
165.01862	0.4
167.05019	0.3
183.04506	1.0
185.02408	0.3
187.03978	0.8
208.95447	0.2
211.03952	1.6
213.01909	0.4
226.02667	0.6
227.03476	6.1
227.07013	0.3
228.03938	0.3
232.79099	0.2
239.03508	0.3
241.05080	1.4
243.06592	0.3
254.02185	0.5
255.02969	48.3
256.03485	3.7
268.03766	0.8
269.04520	1.8
270.05228	0.5
271.02460	1.3
271.06036	0.4
283.02478	31.6
284.03238	52.4
285.03656	2.5
298.01337	0.4
298.04816	13.3
299.05566	54.4
300.02600	0.3
300.05881	3.3
307.08221	1.8
314.04260	1.4
329.06555	6.7
330.07065	0.3
341.06635	0.8
349.09402	1.2
355.27008	0.2
357.13467	0.8
358.13773	0.5
369.11972	0.4
371.07324	0.2
389.12454	0.4
413.10663	0.3
431.11890	4.8
432.12039	0.3
433.11349	14.5
434.11697	1.4
475.12430	13.3
476.12811	0.8
515.07745	0.3
515.15546	7.3
516.15875	0.8
577.15533	11.6
578.16388	1.5
579.17175	0.7
607.16650	100.0
608.17035	9.1
621.14709	0.3
636.38702	0.2
857.13867	0.2
1140.29297	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0194
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01854	0.7
56.86589	0.6
63.41123	0.4
70.65897	1.5
73.02943	100.0
74.03281	2.6
99.00877	8.4
117.01936	16.7
118.02338	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1185.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
82.97440	0.1
83.01403	0.2
85.02944	1.2
87.00871	0.5
89.02419	0.1
95.01406	0.2
97.02946	0.1
99.00883	0.6
101.02451	0.2
103.00370	0.1
107.01379	0.4
111.72930	0.1
113.02449	1.2
115.00339	0.2
117.01947	0.1
117.03506	0.3
125.02410	0.1
126.08224	0.1
129.01924	0.1
148.01772	0.1
149.99554	0.2
151.00345	0.7
157.01469	0.1
171.04472	0.4
172.05249	0.2
175.02515	0.2
184.05197	0.1
195.02737	0.1
195.04485	0.2
196.05252	0.3
199.03998	0.1
200.04785	0.3
205.07124	0.1
211.03949	0.5
212.04774	0.2
224.04770	0.1
239.03398	1.2
240.04231	1.8
241.04581	0.1
267.02917	0.7
268.03732	76.6
269.04080	4.2
282.05261	0.1
283.06088	100.0
284.03271	0.8
284.06378	5.4
285.03885	0.3
339.36325	0.1
340.09409	0.1
417.08417	0.4
483.13477	2.4
767.20294	61.9
768.20636	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	113.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35052	0.6
53.44765	0.4
55.01873	0.9
57.03442	3.6
68.99570	100.0
69.03446	0.9
69.99893	0.9
70.79881	0.6
70.80213	1.3
71.01387	0.6
84.02163	1.0
85.02949	8.3
85.37813	0.5
88.46515	0.4
93.61845	0.5
112.98564	2.9
113.02448	3.8
114.05598	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	114.0561
Annotation	D-Proline
Peak:m/z	Relative Intensity
59.01377	3.4
66.03479	2.3
68.99570	2.7
69.99906	1.6
71.01380	15.4
71.05019	2.0
71.51871	1.1
86.02486	1.5
86.03313	1.5
87.00872	2.9
99.22087	0.8
114.05602	100.0
115.00368	3.1
115.04031	1.8
115.05247	1.0
115.05932	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	1155.321
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03459	0.3
83.01385	0.3
85.02950	0.6
87.00909	0.2
89.03972	0.4
93.03455	0.7
95.01379	0.3
97.02961	1.6
99.00883	0.3
99.04516	7.3
100.04809	0.2
101.02438	4.6
109.02956	0.1
113.02444	0.6
115.09809	0.1
117.03461	28.4
118.03788	0.6
119.05022	23.2
120.05350	0.6
121.02950	0.6
125.02441	11.4
125.16457	0.2
126.02894	0.2
133.03009	0.2
134.03716	0.3
137.02367	0.3
143.03532	0.5
143.05008	0.6
145.02946	100.0
146.03290	2.7
151.00336	0.3
152.01109	0.2
159.04482	0.4
161.04549	0.4
161.05936	0.2
162.03238	0.2
163.04001	21.5
164.04370	0.6
183.08084	0.2
187.03999	1.5
203.05518	0.3
203.07191	0.2
204.99034	0.1
227.03435	0.2
227.07095	0.2
243.08679	0.5
255.02853	0.7
256.03680	0.2
268.03748	2.3
269.04373	0.5
271.02460	5.1
271.05487	0.2
272.02811	0.4
283.02765	0.2
283.06030	3.6
284.03259	3.0
284.06393	0.2
285.03998	0.9
289.07034	0.2
298.04669	0.2
299.01935	10.5
299.05597	4.0
300.02206	0.4
300.05914	0.3
307.08197	3.8
308.08640	0.2
313.03522	1.1
314.04309	7.3
315.04697	0.6
329.06589	26.4
330.06912	1.5
348.87857	0.1
349.09253	3.2
369.11948	1.2
371.07751	0.4
389.12369	1.0
431.11884	12.4
432.12427	0.8
433.11353	33.9
434.11703	2.2
451.12149	0.2
473.11200	0.2
475.12415	34.5
476.12729	2.5
515.15564	21.0
516.15857	1.6
517.13531	0.2
533.12866	0.6
577.15564	26.1
578.15991	2.1
607.16791	1.2
621.14423	1.1
622.14508	0.2
657.23773	0.1
689.77972	0.2
827.85437	0.2
962.24561	0.2
1155.39209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6626
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02655	0.6
81.03444	1.0
83.01411	0.2
83.05020	2.9
84.02172	0.4
85.02960	0.6
87.00869	0.3
89.02431	1.3
95.01436	0.2
95.05037	0.7
96.96040	0.4
97.02946	1.3
97.06583	0.6
99.00891	0.4
101.01417	0.2
101.02448	2.1
109.06593	0.9
111.08159	10.7
112.08501	0.3
113.02454	0.9
119.03520	0.5
121.06567	0.3
123.08144	0.4
125.02419	0.3
125.06040	0.3
125.09707	0.7
127.07645	0.6
135.08154	0.6
137.09717	0.5
141.09187	0.6
143.03445	0.4
145.05122	0.3
151.11290	0.9
153.09222	0.5
153.12840	1.0
161.04532	1.0
163.11288	3.0
165.12833	2.9
167.10760	0.4
169.12337	6.0
171.10239	2.1
177.12935	0.3
179.05595	0.5
179.10817	0.6
181.12341	1.7
183.13904	1.3
185.11894	0.4
191.10779	0.8
191.14351	0.3
193.12434	0.6
197.11818	57.4
198.12091	1.4
199.13385	2.6
207.10367	0.4
209.11813	93.6
210.12196	2.3
211.13382	8.1
211.92267	0.3
212.13847	0.2
223.13338	0.5
225.11316	0.6
227.12874	14.3
228.13301	0.5
229.19574	0.3
235.06079	0.4
235.08237	5.0
243.12878	0.2
247.16998	0.3
247.20641	1.2
253.09271	13.1
263.20172	2.7
265.18063	1.2
273.18591	1.4
289.18076	0.6
291.19644	24.6
292.20053	1.2
307.19122	0.7
309.20685	100.0
310.21030	5.0
397.29126	0.2
433.20749	0.6
445.20743	6.8
446.20880	0.3
447.22556	0.3
463.21793	0.7
501.32410	1.5
509.27390	0.3
519.33459	0.6
527.21509	0.4
527.28650	3.6
545.29547	5.4
545.37781	0.3
546.30273	0.3
625.32489	0.3
695.27478	0.2
721.36365	0.3
737.41296	1.7
751.39545	0.2
755.42242	0.8
1033.69934	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0088
Annotation	2-Furoate
Peak:m/z	Relative Intensity
50.27895	1.7
55.01874	27.1
55.39341	1.9
60.13720	1.7
67.01888	15.5
70.04525	6.6
71.01377	5.2
78.95901	100.0
83.01382	78.3
83.05016	2.9
91.28759	1.6
93.30227	1.7
110.97584	5.6
110.98519	2.4
111.00877	52.1
111.04456	2.7
112.01199	2.0
121.79510	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	12.2
102.95214	0.4
104.97465	0.4
105.01861	0.5
110.98531	6.6
152.99536	0.9
167.01120	3.3
185.02190	4.5
190.67776	0.3
222.25867	0.3
224.04877	0.3
233.22688	0.6
259.20667	0.7
275.19986	0.8
277.21698	100.0
278.22064	3.9
305.12341	0.4
319.32230	0.3
393.40903	0.4
445.23578	32.5
446.23685	2.0
641.22620	0.8
656.43774	0.4
809.24054	0.9
919.44354	2.8
920.43475	0.5
1087.46777	35.3
1088.47119	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	1083.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00871	5.3
81.03458	0.2
83.01387	1.4
84.02165	0.2
85.02948	10.9
86.00094	1.1
86.03309	0.1
87.00874	5.0
87.04511	1.1
89.02444	2.8
95.01386	2.6
97.02947	2.1
99.00878	7.2
99.04494	0.2
101.02439	4.7
103.04002	1.1
111.00891	0.3
112.01687	0.5
113.02445	7.3
115.00354	0.3
115.04002	1.6
119.03511	0.9
125.02444	6.7
127.03988	0.2
129.01941	0.2
131.03502	2.9
137.02516	0.1
139.00383	0.8
139.04007	0.1
141.01953	0.1
143.03491	3.2
145.05103	0.6
157.01411	0.5
161.04552	0.4
163.06139	1.1
186.10173	0.1
205.07156	1.5
247.08250	0.2
258.55383	0.1
395.12128	0.1
421.29733	0.1
453.33936	0.1
473.36429	0.2
546.19452	0.1
599.39380	0.2
683.38464	0.1
691.60724	0.1
739.40875	0.1
749.44415	0.2
757.41650	0.4
895.50458	0.3
957.50769	0.2
983.51782	0.2
1065.52576	1.4
1066.53418	0.2
1083.53711	100.0
1084.54016	14.4
1085.55774	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.376
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00867	4.6
77.75320	0.1
78.69980	0.1
80.78773	0.1
81.03453	0.3
83.01389	0.2
83.05045	0.1
85.02950	6.1
85.03468	0.3
87.00871	2.4
89.02447	1.0
91.03999	0.3
93.03461	0.3
95.01390	1.5
96.14928	0.1
97.06591	0.2
98.20773	0.3
99.00877	3.6
101.02414	0.2
103.00375	0.6
111.00886	0.5
111.08156	0.5
112.01646	0.2
113.02447	6.9
115.00363	0.8
117.01931	0.8
129.01942	0.6
131.03470	0.2
135.00859	0.1
154.24338	0.1
157.01450	0.6
165.12836	7.0
166.13214	0.2
175.02502	0.7
183.13887	45.3
184.14249	1.1
188.41518	0.1
193.03545	0.2
205.07191	0.3
207.05017	0.2
209.11783	1.1
227.12885	3.6
231.05156	0.8
249.06122	6.1
267.07153	4.6
283.06177	0.3
294.49338	0.1
301.16550	1.4
319.87405	0.1
326.25815	0.1
415.19720	1.8
417.17715	0.2
459.18448	0.8
477.19727	100.0
478.20032	4.7
542.73444	0.1
667.43835	0.1
742.41919	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.5472
Annotation	Unknow
Peak:m/z	Relative Intensity
85.04079	23.1
87.05602	13.9
87.33921	14.6
89.02435	17.1
96.95989	27.0
111.08138	14.4
115.00434	14.6
128.03535	66.4
129.03908	14.8
152.48761	12.3
157.06172	27.8
158.06398	14.9
185.15643	13.3
196.07207	12.3
197.11809	40.8
198.12306	20.1
211.17996	13.6
216.59660	12.3
277.21988	17.2
286.10623	13.8
291.19763	30.4
309.20590	61.9
310.21045	60.8
311.21362	29.7
320.09155	100.0
321.09375	42.9
322.08835	36.2
947.22986	13.7
947.96967	14.9
1042.48804	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	1062.5472
Annotation	Unknow
Peak:m/z	Relative Intensity
85.04079	23.1
87.05602	13.9
87.33921	14.6
89.02435	17.1
96.95989	27.0
111.08138	14.4
115.00434	14.6
128.03535	66.4
129.03908	14.8
152.48761	12.3
157.06172	27.8
158.06398	14.9
185.15643	13.3
196.07207	12.3
197.11809	40.8
198.12306	20.1
211.17996	13.6
216.59660	12.3
277.21988	17.2
286.10623	13.8
291.19763	30.4
309.20590	61.9
310.21045	60.8
311.21362	29.7
320.09155	100.0
321.09375	42.9
322.08835	36.2
947.22986	13.7
947.96967	14.9
1042.48804	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	1062.5475
Annotation	Unknow
Peak:m/z	Relative Intensity
80.15505	75.4
104.03693	67.8
291.19641	100.0
366.46823	82.4
551.27911	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
98.20667	100.0
225.24431	26.1
229.85411	28.2
243.95779	27.2
276.21982	25.9
291.19641	73.4
416.60864	28.8
446.95050	27.6
624.53638	29.7
798.91431	30.9
889.13538	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1060.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
74.46867	76.3
101.02422	80.0
204.48923	80.8
289.17953	99.5
308.19360	76.8
397.13397	94.0
449.10117	77.0
549.92847	69.5
729.97089	92.0
840.46820	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00874	0.2
81.03452	0.4
83.01382	0.7
83.05042	0.1
85.02944	1.5
87.00878	1.0
89.02444	5.3
91.04013	0.2
95.01382	0.4
97.02937	1.1
97.06625	0.1
99.00889	0.4
101.02442	6.0
101.03109	0.3
111.08153	0.4
113.01703	0.3
113.02452	2.7
115.09285	0.1
119.03508	1.6
121.02978	0.2
123.04515	0.4
125.02451	1.7
131.03471	0.2
132.80205	0.1
139.04008	0.3
143.03528	0.8
149.04585	0.3
150.03194	0.5
161.04550	0.9
165.05562	0.5
165.12839	4.6
167.03508	0.4
179.03520	0.2
179.05586	0.6
183.13890	35.2
184.14221	0.8
185.04514	0.3
195.06541	0.3
209.11841	0.7
221.06660	0.7
227.12871	4.9
235.08151	0.9
253.09286	0.4
263.07504	0.2
273.07831	0.4
301.16724	0.2
346.84299	0.1
353.16165	0.2
397.13544	0.9
415.14600	1.1
508.38675	0.1
521.33032	0.2
581.35852	0.2
607.26440	0.3
625.27075	100.0
626.27393	5.1
626.37701	0.2
765.30396	0.2
796.34149	0.2
909.98657	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	1057.5584
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03476	2.7
83.01389	2.4
85.02956	5.7
87.00881	5.6
89.02435	15.7
97.02964	5.4
97.06602	3.6
101.02432	15.4
107.67249	1.8
109.02950	2.2
109.06600	1.9
109.31319	1.6
111.00837	2.0
111.08157	6.5
112.75241	1.7
113.02525	8.9
113.03227	2.1
119.03474	6.2
123.04536	2.1
124.26791	1.6
125.02473	4.9
125.09756	4.3
128.22266	1.9
137.09711	4.3
137.69682	1.6
138.91544	1.7
143.03529	4.4
161.04517	3.8
163.11331	5.0
165.12874	4.0
171.10196	3.7
175.69659	1.8
179.05600	6.1
179.10774	2.0
185.11809	5.6
191.14389	6.5
197.11824	36.1
198.14758	1.8
199.13518	2.5
207.10197	2.9
209.11821	13.1
211.13391	7.8
218.17947	2.0
221.06741	2.4
225.11383	2.2
235.08195	5.2
237.11333	3.3
245.19077	13.7
253.09166	3.2
263.20187	3.4
273.18533	2.0
289.18076	56.5
290.18564	2.2
291.19608	31.7
291.22638	2.9
292.20053	2.0
293.21039	3.6
305.08752	2.4
307.19122	63.2
308.19507	3.4
309.20709	100.0
310.20959	3.6
379.12427	3.6
397.13477	49.2
398.13934	2.6
415.14490	24.5
595.12518	2.2
599.39038	1.9
687.32397	3.6
689.33844	4.2
705.33588	3.0
707.34113	5.6
979.53174	3.5
997.54553	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	1055.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02948	0.7
75.00875	0.6
83.01380	0.4
85.02937	1.4
86.47869	0.2
87.00867	0.8
89.02455	2.0
95.01369	0.3
97.02947	0.2
97.06580	0.3
99.00877	0.5
101.02446	2.7
103.04005	0.3
111.08164	0.5
113.02450	1.9
119.03513	0.5
125.02419	0.3
133.05112	0.4
137.02492	0.2
143.03497	0.6
161.04584	1.2
165.12837	8.2
179.05670	0.3
183.13885	77.2
184.14207	1.6
195.13850	0.7
209.11804	1.0
213.14943	4.1
214.14919	0.2
227.12860	7.6
235.08241	0.8
249.06119	0.7
253.09283	3.1
268.03732	0.5
283.06046	1.0
284.06143	0.2
330.89908	0.2
445.20819	0.5
463.21817	100.0
464.22159	4.4
643.77380	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
81.28029	0.1
83.01384	0.4
95.01438	0.1
105.03452	0.3
107.01405	1.1
109.02962	0.3
121.02981	0.4
133.02945	2.9
134.03728	0.2
149.02429	0.8
151.00366	2.8
171.04405	0.2
175.04007	1.7
175.64587	0.1
177.01974	0.3
185.06107	0.3
187.04051	0.2
189.05611	0.2
195.04527	0.1
197.06087	0.3
198.03197	0.2
199.03981	1.6
201.01950	0.5
211.04007	0.3
212.04822	0.2
213.05525	0.5
215.03511	0.3
217.05005	1.0
227.03494	0.5
229.05025	0.2
239.03430	0.2
240.04294	0.2
241.05040	0.6
242.02486	0.1
243.02963	0.7
255.03024	0.9
256.03708	1.1
257.04495	0.4
259.53159	0.1
267.03030	0.3
271.02521	1.5
272.03061	0.2
283.02502	0.2
283.99982	0.3
284.03244	12.7
285.04022	100.0
286.04361	3.9
297.04013	0.2
299.05423	0.2
300.02783	1.7
301.03522	0.6
315.05142	0.2
316.02063	0.1
327.05203	0.6
447.09201	0.2
463.08694	0.8
593.15063	80.8
594.15369	5.5
595.15546	0.2
623.16364	0.2
698.42041	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0193
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
57.05241	1.1
59.01382	20.2
65.06242	1.1
70.31503	3.4
72.99307	72.3
73.99654	1.6
75.00865	22.4
105.01931	100.0
106.02257	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50061	0.8
58.21524	0.8
59.01377	18.7
61.30835	0.7
71.07983	0.7
72.99303	65.6
73.99620	1.2
75.00869	19.9
76.01112	0.7
83.83261	0.7
102.19281	0.7
103.00393	0.8
105.01929	100.0
106.02269	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	1053.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02966	0.3
81.03458	0.2
83.01389	0.3
85.02941	0.6
85.68438	0.3
89.02454	0.4
89.03977	0.5
93.03426	0.5
97.02951	2.1
99.04515	7.2
101.02438	5.0
113.02455	0.4
117.03460	23.9
118.03776	0.5
119.05020	23.2
120.05331	0.5
121.02941	0.3
125.02438	11.0
143.03502	0.5
143.05046	0.5
144.73068	0.2
145.02945	100.0
146.03275	1.6
161.04628	0.4
161.06036	0.3
163.03998	23.6
182.37192	0.2
183.08037	0.3
187.03963	1.5
243.08580	0.3
269.04510	0.3
271.02469	2.0
284.03207	0.3
289.06989	0.2
299.01947	4.1
307.08200	3.9
313.03555	0.6
314.04297	3.1
329.06546	10.7
330.06900	0.5
349.09247	3.1
369.11743	1.2
389.12283	0.7
389.21793	0.7
431.11905	10.5
431.22617	3.7
432.12363	0.7
433.11334	30.9
434.11636	1.4
475.12405	29.5
476.12561	1.1
515.15527	16.9
516.15826	1.2
577.15570	38.6
578.15747	2.1
754.07782	0.4
1053.40784	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.5524
Annotation	Unknow
Peak:m/z	Relative Intensity
98.20718	100.0
105.36644	29.2
108.51896	30.9
154.73660	33.0
163.55005	30.7
174.53206	31.4
190.41382	37.1
197.11830	63.0
229.77213	41.5
266.61224	34.6
293.21310	65.1
294.21445	50.4
295.22522	42.2
307.82681	38.0
309.20667	79.3
310.21143	40.5
335.76953	35.8
398.13675	34.5
637.63647	35.1
942.57898	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	1046.5533
Annotation	Unknow
Peak:m/z	Relative Intensity
74.39412	39.0
98.20779	98.3
101.98006	47.0
135.64583	49.6
192.01289	43.1
291.19547	100.0
293.21243	67.2
339.37204	51.1
597.03363	51.8
762.67462	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.595
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02967	1.2
73.11817	1.0
81.03493	1.2
83.05048	1.1
85.02940	9.2
85.03304	0.8
87.00878	1.7
89.02435	8.5
94.12894	0.8
95.05048	0.9
97.02944	3.7
97.06625	1.8
98.65337	0.9
101.02435	8.3
113.02475	4.4
119.03497	2.0
125.02448	3.1
127.11292	1.3
137.09731	2.1
137.58206	0.9
143.03493	1.9
161.04532	2.1
171.10251	29.3
179.05605	3.0
183.13919	3.3
201.11298	2.0
209.11873	2.9
211.13367	9.7
221.06737	2.4
221.11832	2.4
223.13368	1.5
227.12924	1.0
229.14418	7.6
235.08240	2.9
239.12917	1.0
277.21701	17.3
278.22070	1.5
291.19559	4.5
293.21304	2.7
305.08752	1.6
309.17291	2.2
309.20645	12.1
327.21738	100.0
328.22031	4.6
351.04669	1.0
379.12701	1.0
397.13492	27.1
398.13672	1.2
415.14514	16.7
486.78210	1.2
587.42938	3.6
675.35968	4.3
707.34924	18.4
725.35785	12.2
985.57440	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	1043.5791
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99307	1.2
73.02940	2.1
73.84236	0.6
75.00870	0.7
81.03484	0.8
83.01387	0.9
83.05023	1.2
85.02948	3.4
87.00894	3.3
89.02441	11.2
95.01392	1.5
97.02927	4.0
97.06606	1.0
98.19903	1.3
99.00864	1.1
101.02449	9.5
101.81973	0.7
109.02916	0.8
111.08164	3.7
113.02448	7.2
119.03500	3.0
125.02464	3.8
125.09734	0.8
137.09702	1.4
142.99905	0.9
143.03506	2.2
158.10416	0.7
161.04538	2.6
163.11301	1.1
165.12837	2.0
166.21379	0.7
169.12341	2.0
171.10274	3.3
179.05630	4.0
183.13995	0.9
195.13901	7.1
197.11821	18.5
199.13374	1.2
209.11792	1.1
211.13412	5.9
216.23471	0.6
217.07169	0.8
221.06641	1.2
223.13402	6.3
225.14908	0.8
227.12871	2.4
228.13574	1.1
235.08203	3.7
247.20583	1.8
256.13077	1.1
263.19934	1.5
265.70624	0.7
273.18713	0.9
275.20175	5.7
277.21735	2.7
291.19650	18.2
293.21216	100.0
294.21634	3.1
305.08765	1.6
309.20688	70.9
310.20981	2.7
317.21143	1.3
323.09903	1.4
379.12433	2.7
397.13483	36.8
398.13910	1.3
415.14557	23.0
506.81354	0.9
526.98444	0.8
565.98706	1.0
585.41663	4.9
598.45032	0.7
673.34680	3.2
689.34052	3.9
691.35712	7.1
692.36066	1.0
707.34900	6.3
805.59174	0.8
983.56091	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	1043.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99313	1.2
73.02947	3.6
75.00871	5.6
81.03452	0.3
83.01389	1.8
84.02161	0.2
84.03778	0.2
85.02950	12.2
86.00109	1.1
87.00874	4.8
87.04504	1.6
87.85212	0.2
88.98814	0.4
89.02435	3.0
95.01385	2.7
97.02937	0.5
99.00880	9.9
99.04498	0.2
101.02444	5.7
103.04000	1.2
111.00889	0.4
112.01657	0.4
113.02448	8.9
115.00410	0.2
115.04014	1.6
116.80826	0.1
119.03500	1.1
125.02447	0.6
127.04023	0.2
129.01952	0.3
131.03508	2.7
139.00362	1.1
139.19850	0.2
143.03493	3.0
145.05051	0.6
157.01453	0.8
161.04536	0.4
163.06076	0.9
195.85098	0.2
198.69881	0.2
205.07155	1.7
217.37598	0.2
247.08292	0.3
295.24216	0.2
299.83661	0.2
308.65994	0.2
391.30093	0.5
395.11670	0.2
407.33530	0.2
426.07880	0.2
450.26593	0.1
457.36923	0.3
463.36374	0.2
492.20847	0.2
501.35709	0.2
559.39783	0.2
664.50385	0.2
699.40686	0.2
717.42035	0.5
953.47736	0.2
967.53436	0.5
981.55200	0.6
1025.52893	1.3
1043.54248	100.0
1044.54504	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	1041.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01402	0.5
86.24242	0.2
93.03462	0.2
96.88382	0.2
105.03438	0.2
105.99898	0.2
107.01385	1.6
109.02955	0.4
119.01328	0.2
121.02938	0.2
125.02448	0.5
132.02184	0.4
133.02959	2.4
134.03767	0.4
135.00894	0.3
148.01704	0.2
149.02426	1.2
151.00359	3.9
159.04482	0.4
161.06108	0.2
163.00388	0.5
164.01118	0.2
169.01454	0.3
169.06612	0.2
175.03935	1.2
177.01901	0.7
183.04504	0.4
185.06053	0.4
187.03973	0.6
197.06046	0.4
198.03334	0.2
199.03990	1.4
200.04854	0.3
201.01945	0.4
211.03981	1.3
212.04753	0.4
213.05475	0.6
214.96783	0.2
215.03461	0.4
217.05020	0.8
223.78900	0.2
227.03487	10.0
228.03935	0.4
229.05043	1.6
230.23486	0.2
239.03464	0.5
240.04303	0.4
241.04961	0.8
243.02843	0.4
253.54414	0.2
255.02971	19.8
256.03711	3.3
257.04495	1.2
267.03049	0.3
269.04587	0.2
271.06030	0.2
283.02509	0.5
284.03247	67.9
285.04013	100.0
286.04355	3.1
297.04025	0.5
299.05573	0.3
327.04987	1.5
355.95572	0.2
357.06168	0.2
447.09293	62.6
448.09668	3.4
448.15894	0.2
549.21887	0.3
593.15076	80.9
594.15387	4.9
693.95441	0.2
790.43939	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1028.5397
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07061	95.2
77.00122	48.7
95.84724	51.1
95.98384	48.3
98.20228	42.8
113.64838	57.2
163.78386	41.0
170.24223	45.5
187.28688	44.9
261.82251	47.8
277.21674	100.0
306.91562	46.8
307.19080	99.3
329.87387	49.5
397.12906	53.6
436.29172	54.0
464.21619	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	1030.5578
Annotation	Unknow
Peak:m/z	Relative Intensity
89.02415	30.5
93.37783	25.5
101.02434	48.3
101.12386	22.2
116.92846	38.3
128.65144	22.5
197.11844	32.5
277.21774	32.8
278.21964	49.6
291.19629	37.2
292.19949	43.4
300.10193	23.1
309.20602	100.0
310.20969	88.2
311.21136	41.0
397.13330	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	1030.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53035	11.8
85.43027	12.3
101.02399	17.0
170.87498	13.4
190.81940	12.7
293.21265	100.0
294.21494	95.4
294.43643	14.5
295.21768	43.8
397.13196	17.7
415.14151	18.7
507.73941	13.8
916.64093	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	1027.5843
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	16.5
72.99302	1.3
73.02952	4.1
81.03430	1.2
83.01379	2.7
83.05006	1.0
85.02950	5.2
87.00883	4.7
89.02448	13.1
95.01366	1.2
95.04992	0.9
97.02942	4.2
99.00888	1.1
101.02443	13.7
107.51168	0.6
109.06581	1.1
111.08158	6.1
113.02436	7.5
116.92855	1.4
119.03493	4.3
122.89015	0.6
123.00935	0.8
125.02469	6.5
125.03367	1.0
125.09719	0.9
137.09734	0.9
143.03491	2.6
161.04568	2.7
163.11243	0.7
165.12798	1.5
165.50809	0.7
169.12303	2.9
171.10283	2.5
179.05603	4.3
181.12335	1.3
183.13908	1.2
183.15489	0.7
183.87280	0.6
193.12286	0.7
197.11830	30.6
199.13342	1.8
209.15292	1.1
211.13393	5.4
221.06680	2.1
225.14981	0.9
227.12860	1.9
235.08215	6.1
247.20645	2.6
253.09366	0.8
263.20166	2.1
265.17917	0.8
273.18658	1.4
277.21713	51.2
278.22003	3.0
287.07779	2.1
291.19662	24.3
291.23004	1.2
292.19901	0.9
305.08817	3.0
309.20700	100.0
310.21066	3.6
323.09830	1.9
333.20486	0.9
341.11215	0.7
344.45340	0.9
357.95627	0.7
379.12534	5.8
397.13504	52.1
398.13638	2.1
415.14551	16.9
532.06921	0.7
569.42340	0.7
657.35535	1.1
675.35797	6.0
676.37390	0.9
689.34161	6.3
707.35107	5.6
967.57269	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.5847
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	14.8
73.02947	2.0
74.05568	1.4
85.02957	4.4
87.00871	2.4
89.02447	12.7
96.52403	1.2
97.02939	6.7
101.02431	12.5
111.08179	2.8
113.02450	6.7
119.03530	2.3
125.02419	3.5
125.09753	1.5
137.09744	1.9
143.03494	2.5
161.04523	3.5
165.12788	2.7
171.10226	4.9
176.72020	1.4
179.05612	5.2
181.12378	2.1
193.12274	1.8
197.11818	16.2
211.13402	4.6
221.06746	2.6
235.08278	3.0
247.20570	2.1
277.21701	41.8
278.22076	2.6
287.07706	3.0
291.16656	2.4
291.19644	27.1
305.08887	2.1
309.20688	100.0
310.21088	4.8
314.96881	1.3
379.12381	3.9
384.37881	1.5
397.13467	39.5
415.14560	15.6
473.26642	1.4
614.72223	1.6
675.35590	4.1
689.33649	5.5
707.34814	5.6
882.31177	1.5
967.57092	1.6
991.57617	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5478
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	34.5
72.99294	2.2
73.02950	5.1
74.27690	1.5
78.95907	4.0
79.95734	5.9
81.03455	2.2
83.01391	7.3
83.05028	4.0
85.02948	7.0
87.00876	5.4
89.02443	26.0
95.01393	2.7
95.05014	4.4
96.31599	1.4
96.96008	100.0
96.96977	3.7
97.02946	7.7
97.06572	7.3
100.27374	1.6
101.02443	24.6
101.99020	1.8
106.04285	1.5
107.05025	2.1
109.06574	2.7
111.08157	10.3
113.02454	12.7
119.03515	9.8
123.04514	2.9
123.08150	2.5
125.02438	8.5
125.09731	8.3
131.03511	1.7
132.85164	1.7
137.09691	5.9
141.01967	1.6
141.12897	1.5
143.03479	3.7
161.04564	4.8
163.11264	5.7
165.12874	3.4
167.10750	3.3
171.10234	3.9
177.12833	3.5
179.05579	4.9
179.10774	2.6
181.12268	3.6
185.11789	9.9
191.14389	7.1
195.13873	6.4
197.11818	2.7
203.14502	2.0
207.10216	4.5
209.11775	18.0
211.13313	3.2
221.06564	3.5
223.13307	2.2
225.11285	5.0
227.12866	6.3
235.08183	5.7
237.11252	2.7
245.19017	15.2
247.20653	2.6
253.09174	3.4
256.74030	1.8
263.20203	2.4
271.16949	2.4
281.21222	1.8
289.18082	54.1
291.19656	92.0
292.20099	4.3
293.21146	5.6
307.19119	36.3
308.19437	1.9
309.20676	9.1
356.72473	1.9
397.13373	18.1
415.14655	10.7
705.34686	1.6
802.39539	1.7
837.57458	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	1014.5631
Annotation	Unknow
Peak:m/z	Relative Intensity
74.37299	47.4
88.69022	39.7
91.02844	44.5
258.50433	45.7
277.21927	44.6
293.21237	100.0
294.21408	75.7
334.90741	46.9
395.42221	45.7
399.13397	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.547
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	38.3
72.99294	3.4
73.02939	6.9
75.00869	1.5
81.03452	4.3
83.01376	6.5
83.05024	3.5
85.02952	10.4
87.00870	8.9
89.02440	31.0
95.01400	3.4
95.05016	3.4
96.96004	3.7
97.02948	13.2
97.06570	6.5
99.00878	2.8
99.92571	7.1
101.02435	27.0
107.05032	0.9
109.02937	1.5
109.06611	2.5
110.51639	0.8
111.00890	1.5
111.04510	1.4
111.08138	9.2
113.02451	15.5
116.92854	42.9
116.97243	2.0
117.01932	4.9
117.92866	1.2
119.03486	7.7
119.08622	1.1
121.06602	1.4
123.04511	4.1
123.08154	2.6
125.02466	9.4
125.09711	11.4
127.07656	1.3
131.03494	1.6
135.08136	2.3
137.09714	4.8
141.02005	1.1
141.12848	1.9
143.03485	6.0
145.05046	1.3
149.04561	1.4
151.11302	1.2
153.12810	2.2
161.04521	8.2
163.11285	11.1
165.09117	1.6
165.12862	7.0
167.03430	1.2
167.10745	1.9
169.12341	4.3
171.10257	7.3
175.11133	1.1
177.09196	1.0
177.12852	1.8
179.05576	10.4
179.10719	1.5
179.14430	1.3
181.12341	3.7
183.13857	1.9
185.11815	12.1
188.50577	0.9
191.14392	7.8
193.12294	2.3
193.15860	1.6
197.11816	49.7
199.13361	2.0
207.10181	5.7
209.11818	20.0
210.12260	1.0
211.13376	9.6
217.07077	1.8
217.15953	1.8
221.06639	4.0
225.11284	3.6
225.14977	1.3
227.12869	12.4
235.08276	8.0
237.11310	4.3
245.19086	17.7
247.20630	4.0
253.09335	3.2
263.20108	8.1
265.18079	1.0
271.17114	2.6
273.18600	2.2
281.21118	2.1
287.07663	1.7
289.18082	72.5
290.18344	2.2
291.19647	53.5
292.19974	3.0
293.21240	4.5
305.08664	2.3
307.19122	61.5
307.65054	0.9
308.19452	3.3
309.20682	100.0
310.20990	3.4
323.10056	1.4
325.20157	2.6
327.21576	1.7
333.20728	1.0
341.23282	9.7
352.17242	1.0
379.12424	2.3
397.08301	2.1
397.13480	38.0
398.14032	1.3
415.08890	1.6
415.14554	27.1
589.25110	1.6
607.25983	2.9
687.31750	1.7
705.33466	2.2
707.34882	1.2
997.52893	1.5
1025.97156	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1012.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	41.7
71.53307	32.5
135.34668	30.1
135.38911	30.2
135.74829	30.2
139.08429	33.3
201.71294	32.3
209.11792	62.6
224.13705	30.2
244.43227	34.2
289.17889	47.2
290.18335	60.1
291.19592	100.0
310.21136	43.0
333.66318	33.4
1007.36536	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	1.1
73.02959	0.4
81.03456	6.0
83.01378	3.0
85.02975	0.7
90.02795	0.3
93.03452	4.9
93.84372	0.3
95.01383	0.6
95.05006	0.6
97.02952	2.2
97.47799	0.2
99.04517	8.6
101.02441	5.5
107.01371	0.6
107.04993	0.3
109.02948	0.3
111.04501	0.4
113.02430	0.6
117.03461	25.3
118.03770	0.2
119.05023	29.3
120.05372	0.4
121.02953	0.5
123.04521	20.8
124.04839	0.4
125.02440	22.1
126.02780	0.5
135.04526	1.1
143.03561	0.4
143.04955	0.5
145.02950	100.0
146.03284	2.1
147.04471	0.3
149.02441	1.4
150.03191	0.4
151.00374	1.8
157.06483	0.3
161.04596	0.5
163.04004	23.9
164.04375	0.5
164.13960	0.3
165.05521	0.5
166.02719	0.3
167.03485	52.5
168.03801	0.9
170.87343	0.3
175.78085	0.3
179.03487	5.4
187.03989	1.5
187.07579	0.3
189.05539	1.3
191.03467	0.4
195.78403	0.3
227.07169	0.4
229.08577	0.5
243.08704	0.6
268.03909	1.2
269.04413	1.0
269.06918	0.3
271.02570	0.3
273.07663	62.3
274.08023	2.2
283.06152	1.7
284.06552	0.4
297.07660	0.5
299.02039	0.6
304.40186	0.3
307.08264	3.8
314.04468	0.5
320.09326	0.3
329.06561	1.1
329.09357	0.3
349.09259	2.7
369.11923	1.2
389.12469	1.4
413.10822	0.4
431.11896	12.5
432.11945	0.6
433.11368	36.0
434.11649	1.8
435.12915	12.8
435.17755	0.2
436.13239	0.7
451.12228	0.4
475.12421	36.3
476.12692	1.9
515.15564	20.5
516.15887	1.1
533.13458	0.4
577.15588	28.4
578.15814	2.1
585.36926	0.3
611.27197	0.3
904.42090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	12.3
71.44917	0.7
72.99305	1.1
73.02956	3.2
75.00874	5.3
75.16926	0.4
75.79363	0.4
83.01385	1.2
85.02946	10.5
86.00095	0.4
87.00856	4.1
87.04493	1.3
87.39486	0.5
89.02437	3.6
95.01389	2.3
97.02965	0.4
99.00872	6.5
101.02431	6.0
103.03996	1.6
107.79751	0.4
113.01714	0.7
113.02438	8.3
115.03976	1.6
119.03474	1.1
125.02412	0.9
131.03468	3.3
139.00349	1.0
143.03491	2.9
145.05075	0.6
157.01401	1.0
161.04561	0.8
163.06099	1.6
205.07124	2.4
300.47086	0.4
330.53677	0.5
941.51062	100.0
942.51202	11.1
1004.50824	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	0.3
72.08323	0.1
73.02952	0.3
73.35259	0.1
83.01395	0.1
98.20602	0.2
101.02425	0.2
111.48432	0.1
121.02943	0.9
122.03741	0.4
147.04546	1.5
148.05296	100.0
149.05627	2.1
151.00259	0.2
162.95325	0.3
163.07639	89.9
164.07968	2.1
203.05588	0.2
211.13344	0.1
216.09285	0.1
239.03410	0.2
240.04326	0.4
247.09546	0.2
267.02805	0.2
268.03738	22.4
269.04132	0.9
283.06094	48.0
284.06406	1.9
367.13950	1.3
913.59613	0.2
924.06818	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	991.5598
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	2.6
69.07069	1.0
71.01353	0.4
71.05005	0.2
72.33382	0.2
73.02921	2.7
79.05489	2.1
81.03419	1.5
81.07058	2.5
83.04980	0.3
83.08600	0.3
85.02906	4.3
85.03378	0.3
87.04461	0.4
87.15081	0.2
91.03960	2.9
91.05479	1.6
93.07041	2.5
95.05014	0.3
95.08613	1.8
97.02894	4.4
97.10162	0.2
98.21518	0.5
99.04473	0.6
101.02386	1.3
103.03938	0.4
105.07021	1.0
107.08605	1.2
109.02909	0.7
109.06586	0.2
109.10179	0.7
115.03940	0.5
117.07057	0.4
119.08618	0.6
121.06547	0.2
121.10085	0.8
121.36000	0.2
127.03924	1.6
131.08598	0.7
133.10175	0.5
135.11716	0.6
137.09668	0.2
143.08476	0.2
145.05005	0.3
145.10165	0.3
147.11739	0.4
149.09680	0.2
149.13309	0.3
159.11726	0.3
165.99863	0.2
169.36612	0.2
185.04176	0.9
201.03708	0.2
203.05370	0.5
206.07082	0.2
216.87967	0.2
243.08449	1.8
259.07910	0.3
333.20428	1.9
335.26056	0.6
347.09491	2.2
350.22784	0.2
363.09161	0.8
365.10590	0.9
389.23145	0.3
405.13663	5.3
439.19501	0.7
453.21240	0.7
469.20651	0.2
519.29309	6.2
551.28363	2.4
573.05127	0.2
574.18677	0.2
601.24915	0.3
615.26007	0.4
679.85474	0.2
681.34515	6.6
713.33685	2.1
829.51007	1.0
893.49640	0.3
991.56024	100.0
992.56366	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	1001.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
70.11192	1.2
71.01377	0.9
72.16514	0.3
75.61494	0.4
81.03442	0.6
83.01384	0.6
85.02934	0.8
93.03453	0.9
95.05028	0.9
97.02945	4.1
97.80453	0.4
99.04514	16.5
99.52592	0.5
101.02437	7.2
107.05009	0.7
109.02946	1.4
109.06578	1.8
111.04510	0.9
113.02435	0.5
117.03458	23.4
118.03728	0.4
119.05019	24.4
120.05418	0.4
121.02931	0.4
121.06606	1.3
122.03738	3.3
123.04520	0.9
124.05296	6.5
125.02431	12.5
125.06086	1.5
133.06628	1.8
135.04501	0.7
137.06073	3.7
137.09595	0.5
139.07640	37.8
140.07994	0.6
143.05032	0.8
145.02942	100.0
146.03300	1.6
147.08128	0.9
148.05330	0.4
149.06046	0.7
159.04414	0.7
161.04532	2.8
163.04001	22.1
164.04382	0.7
168.07881	7.9
168.09247	0.5
169.08684	3.1
171.08124	0.7
181.08661	1.3
187.03978	1.6
187.11273	4.7
190.09969	1.0
205.10352	0.5
205.12302	9.7
210.08849	0.5
211.09705	0.7
217.12193	0.4
221.11998	0.5
231.10242	0.5
235.13313	1.3
241.95837	0.4
249.11287	2.3
271.02518	0.9
279.12338	45.7
280.12698	1.6
299.01941	1.6
307.08237	3.3
314.04361	1.3
321.13367	1.6
329.06369	3.6
349.09305	2.2
361.16608	0.4
369.11969	1.3
389.12421	1.3
423.16547	31.3
424.16806	0.8
431.11887	10.7
432.12097	0.8
433.02612	0.6
433.11331	29.7
434.11731	2.2
475.12411	31.8
476.12808	1.8
515.15503	18.1
516.15875	1.4
577.15552	33.8
578.15869	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	989.5448
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	2.6
69.07079	0.9
70.98335	0.4
71.01360	0.3
71.04996	0.2
73.02923	2.3
79.05498	1.8
81.03436	0.9
81.07066	2.1
82.57710	0.2
83.08637	0.5
85.02911	3.1
85.06567	0.2
85.50330	0.2
86.97907	0.2
91.03964	2.5
91.05488	1.3
93.07043	1.8
95.04990	0.3
95.08604	2.1
97.02904	4.2
97.10191	0.6
99.04468	0.7
101.02390	1.4
105.07037	1.1
107.08595	1.0
109.02892	0.5
109.10179	1.1
115.03983	0.3
117.06998	0.2
119.08631	0.7
119.78826	0.2
121.10168	0.7
123.08066	0.2
123.11677	0.3
125.09676	0.3
127.03975	1.0
129.07037	0.3
131.08588	0.4
133.10178	0.5
135.11765	0.5
143.05389	0.2
145.10213	0.3
149.13274	0.3
159.11797	0.3
173.13170	0.2
179.25151	0.2
185.04303	0.7
203.05365	0.8
223.13278	0.3
243.08437	2.1
273.18494	0.3
284.10562	0.2
291.19684	0.7
331.18839	1.5
335.25977	0.5
336.26266	0.3
347.09503	1.6
354.51535	0.2
363.09082	0.4
365.10864	0.6
387.21841	0.5
405.13748	5.2
426.29416	0.2
519.29248	5.2
549.26733	2.6
612.46942	0.3
655.19537	0.2
681.34570	6.0
711.32184	1.7
790.36218	0.2
827.49512	0.7
989.54535	100.0
990.54712	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	986.605
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	2.2
69.07071	10.4
70.88371	0.5
70.92286	0.8
70.92595	0.9
71.04981	1.4
73.02914	1.7
73.37820	0.4
79.05494	26.0
81.03409	1.7
81.07056	27.8
83.04980	2.0
83.08616	5.5
85.02904	7.0
85.06570	1.2
91.03963	4.6
91.05481	29.6
93.07045	28.8
95.04965	3.2
95.08610	23.2
97.02882	3.5
97.06536	2.2
97.10168	3.7
98.54285	0.5
99.08101	0.9
103.05454	1.5
105.04522	1.0
105.07034	26.6
107.04951	2.2
107.08587	16.6
109.02868	0.7
109.06526	1.6
109.10152	9.6
111.08111	1.2
113.09666	0.5
115.03898	0.7
115.05476	1.6
116.06219	0.7
117.07019	15.5
117.07853	0.8
119.08582	22.6
121.06504	0.9
121.10141	12.1
123.08083	1.8
123.11684	2.9
125.09644	1.1
127.03938	2.1
128.06207	2.8
129.07013	12.0
130.07767	1.2
131.07579	1.0
131.08572	20.3
133.06509	0.9
133.10132	16.7
135.08054	1.2
135.11681	7.1
137.09641	1.0
137.13283	0.8
139.11148	0.7
141.06985	4.5
142.07780	2.1
143.08556	12.2
144.09329	1.1
145.04974	2.4
145.06458	0.7
145.10127	19.0
147.08058	0.7
147.10539	0.8
147.11688	12.3
149.09651	1.3
149.13257	3.6
151.11197	0.7
153.07028	1.1
154.07797	0.7
155.08554	8.2
156.09277	0.8
157.06487	0.5
157.10135	11.1
159.11694	12.7
161.09673	0.8
161.13258	5.0
163.06053	2.9
163.11180	0.5
163.14841	1.4
165.06989	1.0
167.08542	3.6
168.09355	1.4
169.10095	10.8
171.11688	9.8
173.09650	0.6
173.13268	8.7
175.11208	1.1
175.14853	1.9
177.12733	0.6
179.08559	1.0
180.09355	0.6
181.10107	4.7
182.10912	0.6
183.11697	9.7
185.11691	0.6
185.13229	7.0
187.11191	1.0
187.14830	3.1
189.12860	0.6
189.16409	1.0
191.08565	0.9
191.14261	0.6
193.10185	1.1
195.11697	4.7
196.12520	0.7
197.11505	0.8
197.13269	6.1
199.13234	1.0
199.14853	5.7
201.16437	2.0
203.18138	0.6
205.10172	0.5
207.11761	1.8
209.13213	5.1
211.14894	5.7
213.16367	2.8
215.14412	0.7
219.11763	0.9
221.13348	2.4
223.14879	3.2
225.16344	3.0
227.16150	1.0
227.17989	2.0
229.19594	1.1
235.14833	1.7
237.16481	2.3
238.75661	0.6
239.18022	3.2
241.19949	2.5
243.17577	0.6
247.15019	0.6
247.20702	0.5
248.10506	0.5
249.16397	1.4
251.17931	1.9
253.19463	0.8
255.21422	0.7
257.19089	2.7
259.20538	3.7
261.16412	0.8
261.22189	0.9
263.17892	0.8
265.19482	1.3
265.99844	0.6
271.17111	0.6
275.20288	0.9
277.19498	0.9
283.20676	1.1
283.23816	0.6
285.22101	0.8
287.20361	0.6
297.22043	1.4
299.23569	0.7
301.21762	0.7
309.21890	0.6
311.23517	0.9
313.21747	1.1
315.23285	0.7
319.12921	0.6
323.23615	0.7
325.21634	1.0
325.25287	0.9
327.22839	0.6
327.34573	0.5
329.24847	0.7
331.22864	2.1
333.24222	2.5
335.26184	3.1
335.29456	0.5
337.21408	0.6
339.22983	0.6
339.26862	1.0
341.25031	1.0
349.24551	0.6
351.26694	2.4
353.24741	0.9
355.26266	0.6
363.26855	0.8
365.28659	1.0
379.26028	0.9
379.30325	0.9
381.28192	0.7
391.29803	0.7
393.27420	0.7
393.31879	0.6
395.29263	0.6
397.27850	0.6
405.31662	0.7
407.29266	1.2
409.30844	0.7
429.31659	0.6
435.32535	0.7
447.32285	1.8
461.33267	0.6
473.32864	0.6
475.34915	0.6
483.34991	0.6
485.33044	0.7
487.34360	1.0
499.33502	0.7
499.39767	1.4
501.35736	2.0
513.35803	1.1
515.38037	1.2
517.40430	9.0
521.36310	1.0
525.36212	1.3
527.37537	0.8
535.41675	4.6
539.37402	2.8
540.38037	0.6
541.39209	1.0
553.38995	0.7
555.42090	0.9
573.43170	1.1
591.44025	10.0
607.43488	1.5
609.45135	100.0
610.45709	2.7
621.45074	0.9
633.44940	0.8
651.46027	1.1
675.46167	0.9
693.47687	1.0
699.46265	1.2
703.01093	0.6
717.47052	1.6
735.48083	2.0
753.49146	2.5
771.37512	0.8
771.50470	8.6
953.86700	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6043
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	7.8
69.07074	24.1
70.07404	0.7
71.01352	0.7
71.04980	3.7
71.08647	0.8
73.02911	2.4
77.03958	1.5
79.05497	56.5
81.03421	9.5
81.07060	75.0
82.07433	0.9
83.04981	6.7
83.08621	12.3
85.02906	9.7
85.06543	3.5
86.81327	0.6
91.03974	3.7
91.05484	41.5
92.05801	0.8
93.07048	66.4
94.07396	1.1
95.04980	9.9
95.08611	44.8
96.04478	0.8
96.08941	0.8
97.02888	6.7
97.06532	12.2
97.10190	5.2
98.20764	1.2
99.04464	2.5
99.08099	2.1
100.06372	0.7
101.02399	0.6
103.05487	1.4
105.04517	2.2
105.07037	32.5
106.07340	0.9
107.04961	5.4
107.08597	36.8
109.02885	1.6
109.06529	5.3
109.10162	17.6
110.10477	0.8
111.04426	1.0
111.08091	4.3
113.09686	0.8
115.05429	1.1
116.06252	1.0
117.07013	13.7
119.08584	22.2
121.06519	3.4
121.10147	26.4
123.04468	0.7
123.08074	3.6
123.11691	6.5
125.09620	3.7
127.03937	4.6
127.07557	0.7
128.06224	1.0
129.05510	1.7
129.06989	4.8
130.07761	1.2
131.08569	18.0
131.09526	1.1
133.06499	2.0
133.09142	0.9
133.10135	21.2
135.08076	2.8
135.11699	22.3
137.09608	2.2
137.13298	1.5
139.11220	1.5
141.07004	1.9
143.08583	4.2
145.04971	1.7
145.06451	1.2
145.10123	15.1
147.08043	2.2
147.11702	11.9
149.09642	6.9
149.13271	16.8
151.11192	2.3
153.09120	0.9
155.08588	2.1
157.10117	4.6
159.11705	15.4
161.09586	1.6
161.13258	5.5
163.06042	1.9
163.11217	4.8
163.14825	3.0
165.09224	0.9
165.12807	1.0
169.10187	2.0
171.11699	4.3
173.04454	2.5
173.13306	7.2
175.11113	1.2
175.14839	2.3
177.12753	3.5
177.16408	0.8
179.14410	1.3
181.10109	0.7
181.12279	1.3
183.11789	2.2
185.13213	1.6
187.11232	0.8
187.14859	3.0
189.11214	1.1
189.16418	1.1
191.14290	1.3
195.13791	5.9
197.13324	1.5
199.14853	1.5
205.12086	0.7
209.13391	0.8
213.14763	1.3
213.16533	0.9
215.17981	1.3
223.13272	1.3
224.13693	1.1
227.12767	3.9
229.14255	1.1
235.17096	0.8
239.17963	1.8
241.19647	0.8
243.21074	3.2
247.16951	0.6
247.20573	1.1
249.14893	0.8
251.16405	0.8
253.14349	1.6
253.17892	1.1
255.15912	13.7
257.19177	3.7
259.20667	2.2
261.22134	10.7
263.19952	0.8
263.23740	0.7
267.15897	2.4
269.17480	45.7
273.18463	1.6
274.18964	0.9
275.20062	18.6
277.21756	0.8
278.84433	0.7
280.08890	0.7
291.19556	6.6
292.19931	4.1
293.20700	3.0
317.24765	3.0
327.23459	0.7
329.24823	0.7
331.22632	1.2
333.24304	2.7
335.25815	77.6
336.26218	5.8
337.26730	2.0
339.18036	1.3
349.23727	23.1
363.25537	1.1
365.23013	3.3
366.23624	2.9
367.24588	6.4
413.21970	3.2
419.24216	1.0
419.33057	1.1
437.34149	2.7
455.35266	1.7
473.36469	1.0
489.35751	2.2
504.28809	0.7
511.37659	2.4
515.37329	20.4
516.37347	0.9
517.39661	1.1
529.38898	100.0
530.39557	3.0
533.38544	1.1
547.39856	2.2
553.40283	0.8
569.41608	0.9
571.40210	0.9
609.45111	33.6
610.45361	1.5
625.44238	2.7
626.44989	5.8
627.45856	22.6
628.46112	1.0
637.40936	0.7
655.41486	0.9
669.96619	0.7
673.43066	3.8
753.48749	0.7
771.50031	2.7
986.56226	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6052
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	4.0
69.07071	13.5
69.15733	7.6
71.04991	2.3
73.02923	1.5
74.57709	0.7
79.05497	49.2
80.71732	0.7
80.72202	0.8
81.03419	3.2
81.07062	45.3
82.07394	1.2
83.04979	3.9
83.08624	13.8
85.02915	5.8
85.06545	2.1
87.04472	0.9
88.17667	0.7
91.03954	1.9
91.04901	0.9
91.05484	27.7
93.07049	42.0
93.67658	0.7
94.07391	0.7
95.04986	5.3
95.08611	31.2
97.02901	3.3
97.06540	3.7
97.10175	28.4
103.05502	0.8
105.04514	1.3
105.06322	0.8
105.07036	25.2
107.04974	4.2
107.08597	52.6
108.77832	0.7
109.02896	1.4
109.06513	3.7
109.10166	16.1
111.08095	2.8
115.05497	1.1
116.07121	0.9
117.07031	9.8
119.06020	0.8
119.07944	0.5
119.08584	18.7
121.06501	1.5
121.10150	18.8
123.08072	1.4
123.11731	5.9
123.40265	0.7
125.09635	25.8
127.03912	2.4
128.06178	0.8
129.07013	3.0
131.08578	14.9
131.09529	1.1
133.06566	0.9
133.10136	14.0
135.08038	4.1
135.11707	12.7
136.11925	0.8
137.09650	1.0
137.13295	1.4
143.08560	4.1
143.10741	1.3
145.10132	18.4
147.08134	1.0
147.11694	12.8
149.09622	6.9
149.13237	5.1
153.09166	1.0
153.12788	1.3
157.10133	3.6
159.11719	10.1
161.13254	5.7
163.11211	2.3
163.14891	1.4
165.12744	1.0
169.10123	1.2
171.10262	1.9
171.11728	4.0
173.09766	0.8
173.11870	1.4
173.13231	6.4
175.14830	2.0
177.12753	1.8
179.14311	0.8
181.12369	0.7
183.11771	2.6
185.13313	2.8
187.14905	2.9
189.11223	13.2
189.12718	1.2
189.16428	0.9
195.11629	1.0
195.13913	0.8
197.13333	1.1
199.14806	1.5
201.16367	0.9
203.14337	0.7
227.12784	28.3
229.19649	1.1
239.18085	1.8
241.19588	1.1
243.15970	1.2
243.21138	3.0
245.13843	2.2
257.19019	6.4
259.20605	3.9
261.22144	12.0
273.18530	1.1
275.20081	26.4
275.23163	1.3
277.21780	1.0
291.19626	1.5
293.21005	1.3
313.21762	1.2
317.24826	2.0
331.22757	4.7
333.24277	4.2
335.25827	67.1
336.26260	1.9
349.23758	32.9
349.28073	1.6
351.25378	2.1
353.27258	0.9
365.23279	0.9
367.25125	1.0
389.18088	2.8
431.31674	0.9
447.32233	0.8
465.79239	0.8
487.34259	4.0
505.35220	13.8
515.37085	1.2
517.40515	1.7
535.41650	2.3
553.42719	0.9
591.44305	2.6
609.45148	100.0
610.45667	3.2
626.45203	2.1
627.46094	21.5
628.46594	0.9
649.39569	3.2
662.49255	0.9
986.56940	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6047
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	11.9
69.07069	26.0
69.29591	5.6
69.39748	0.6
71.01347	1.2
71.04991	5.3
71.08644	1.0
73.02916	5.7
76.44278	0.6
77.03931	1.5
79.05494	83.2
80.05826	1.0
80.06274	0.7
81.03420	11.7
81.07057	99.8
82.07365	0.6
83.04980	11.2
83.08621	11.8
85.02901	28.0
85.06538	4.7
87.04465	1.8
91.03963	12.1
91.04582	0.9
91.05479	73.0
93.07045	90.3
94.07374	0.7
95.04973	12.8
95.08607	67.2
96.04460	0.9
97.02277	1.4
97.02894	22.2
97.03514	1.3
97.06531	10.7
97.10172	5.9
98.09678	1.2
99.04453	2.7
99.08092	5.3
101.02394	1.5
103.03924	0.8
103.05471	1.8
103.25029	0.7
105.04536	3.8
105.07034	66.2
107.04978	4.1
107.08597	51.0
109.02896	3.1
109.06519	5.9
109.10158	24.7
111.04446	1.8
111.08080	5.4
111.11701	0.9
113.09692	1.5
115.03948	1.3
115.05463	2.7
116.06240	0.9
117.07017	23.8
119.08584	49.2
121.06526	4.1
121.10144	38.2
121.11039	1.5
123.04462	1.1
123.08061	6.3
123.11714	7.9
125.09614	2.9
127.03925	9.4
127.07515	0.8
128.06210	2.4
129.05502	5.1
129.07005	10.2
130.07849	1.1
131.08572	35.4
133.06477	2.1
133.10135	37.3
135.08055	4.4
135.11696	26.8
137.06055	0.7
137.09625	3.4
137.13254	2.1
139.11214	1.3
141.07010	2.2
142.07777	1.9
143.08574	9.1
144.09332	1.3
145.04991	8.2
145.06256	1.1
145.10129	24.5
147.08046	1.8
147.11682	29.9
149.09605	8.0
149.13263	17.4
151.11192	1.7
155.08568	2.6
156.09340	1.3
157.06500	0.7
157.10123	10.1
159.08092	0.7
159.11700	22.8
161.09642	1.6
161.13251	20.3
163.06018	5.3
163.07442	1.2
163.11171	3.6
163.14842	4.8
165.09175	1.0
165.12730	0.7
167.08592	1.1
169.10094	4.5
171.11697	12.3
173.04454	2.2
173.05937	0.8
173.09805	0.8
173.13258	14.1
175.11198	1.7
175.14822	7.4
177.12764	3.9
177.16403	1.7
179.10728	1.1
179.14308	2.1
181.10077	1.0
183.11674	3.9
185.13269	7.7
187.11183	0.8
187.14812	5.0
189.11118	0.9
189.12790	1.8
189.16425	1.8
191.14302	1.3
194.69125	0.6
195.11900	1.0
195.13824	4.5
197.13287	3.6
199.14815	4.3
201.12724	0.8
201.16449	2.4
203.14349	0.8
205.15993	0.7
207.13756	0.9
209.13338	1.0
211.14848	2.3
213.16396	2.3
215.14386	1.3
215.17989	1.8
217.15944	1.3
217.19507	1.2
219.13789	0.7
225.11183	0.8
225.16568	0.9
227.12697	0.8
229.19553	2.0
231.21100	2.6
233.15329	0.9
233.22647	1.0
239.14362	1.0
239.17844	3.1
241.17635	0.8
241.19566	10.4
243.12347	2.5
243.21091	3.8
247.20723	0.8
257.18994	8.8
259.20563	29.1
261.14990	0.7
261.22147	15.1
269.17462	17.1
275.20078	12.1
277.21677	1.4
281.17462	1.5
285.14877	0.7
291.19650	0.9
293.17682	0.8
293.21008	1.3
295.78491	0.6
297.21960	0.8
299.20456	0.7
299.23648	0.9
303.15848	1.1
315.23187	2.2
317.24789	2.7
321.17108	0.7
331.22504	3.1
333.24222	24.7
335.25793	100.0
336.25912	1.0
337.27649	3.1
339.18158	1.2
349.23773	10.4
351.25113	1.5
353.28467	1.0
367.30127	0.8
395.20270	1.3
403.25198	0.7
413.21793	1.3
489.35745	1.5
501.34949	1.2
515.37164	2.5
517.39679	0.8
519.41949	2.6
527.37213	1.4
529.38898	55.3
530.39093	1.9
537.43176	1.2
541.39148	4.6
544.35956	0.7
544.44739	0.8
593.45740	9.7
609.44958	11.2
611.46704	55.6
612.46863	1.7
627.45715	1.6
635.46594	1.0
673.42297	1.3
701.48267	1.5
719.47900	1.6
737.48895	0.8
755.50317	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5889
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	1.9
69.06726	1.5
69.07072	16.3
71.04984	2.3
71.53632	2.3
79.05495	29.6
81.03431	5.4
81.06581	2.4
81.07058	38.4
83.04988	4.2
83.08617	6.0
85.06544	1.8
91.05481	49.2
93.07048	32.4
95.01332	5.5
95.04971	4.7
95.08604	24.7
97.06527	13.4
97.10162	2.8
99.08100	1.4
102.41648	1.1
103.05441	1.7
105.07035	63.9
107.04971	11.9
107.08604	17.0
109.06516	2.2
109.10162	8.3
111.08101	1.5
115.05448	2.3
117.07021	13.4
119.08585	38.1
121.06503	2.4
121.10143	12.6
123.08058	3.7
123.11681	1.7
125.09644	1.7
128.06352	1.0
129.06993	5.9
130.07794	1.1
131.08577	22.8
133.06551	1.6
133.09117	1.8
133.10130	35.0
133.23676	1.0
135.08076	2.8
135.11700	8.4
136.73848	1.0
137.09642	2.9
139.07587	1.3
143.08571	5.3
145.10126	18.0
147.11679	22.4
149.09615	3.8
149.13287	6.0
157.10143	7.2
159.11684	11.2
161.13269	11.2
163.11198	3.0
163.14894	1.8
165.09088	1.6
169.10147	3.7
171.11676	6.6
173.13228	6.2
174.90236	1.1
175.14833	3.9
177.12750	2.6
179.14317	8.0
183.11745	2.1
185.13312	2.8
187.11179	2.6
187.14835	2.0
193.12210	1.2
195.11729	1.0
197.13284	1.5
199.14833	1.6
215.17931	1.2
227.77377	1.1
239.17987	1.3
241.19504	12.1
243.20868	1.4
247.20541	1.4
257.19025	4.3
259.20575	21.8
275.20059	40.0
277.21606	1.1
279.15750	1.3
291.19577	1.2
293.21201	2.8
297.22049	1.2
315.23227	5.8
333.24246	41.8
349.23764	40.5
349.28171	1.7
437.34647	1.3
513.35645	1.9
553.81573	1.1
592.66467	1.1
607.43597	100.0
608.43372	1.5
609.96045	1.4
625.44696	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	984.589
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	5.2
69.07071	18.0
69.07433	0.5
69.43668	2.2
71.04987	1.6
73.02874	0.8
77.03905	0.7
79.05495	30.0
81.03422	4.1
81.07059	33.9
83.04979	2.9
83.08618	7.2
85.02911	3.3
85.06496	1.0
85.06984	0.3
91.03976	1.8
91.05482	19.1
93.07047	30.2
95.04978	6.5
95.08609	24.2
96.04366	0.3
97.02895	8.5
97.06530	3.1
97.10168	8.7
99.04407	0.3
99.08074	0.5
103.05435	0.8
105.04462	1.2
105.07033	12.8
107.04301	0.3
107.04961	4.9
107.08598	17.4
108.05681	0.3
109.02876	0.8
109.06532	2.3
109.10162	12.4
111.04391	0.8
111.08103	1.5
113.05896	0.3
115.05394	0.9
116.06178	0.4
117.07024	6.2
119.04932	0.7
119.08588	11.5
119.09455	0.6
121.06502	2.8
121.10143	11.6
123.04398	0.5
123.08070	2.7
123.11716	2.5
125.08777	0.4
125.09634	6.6
127.03862	0.8
128.06206	0.7
129.05467	0.4
129.07005	2.5
130.07773	0.7
131.08577	9.7
133.06471	1.6
133.10138	7.4
134.07239	0.7
135.08073	2.9
135.11702	6.8
137.09625	1.8
137.13177	0.4
142.07782	0.3
143.08572	2.7
145.04913	0.6
145.06479	0.6
145.10135	6.1
147.08051	3.8
147.11682	4.2
149.09613	1.8
149.13271	3.7
151.11142	0.8
151.14709	0.3
153.09122	0.6
153.12735	0.4
155.08519	0.5
157.10121	2.1
159.08008	0.8
159.11708	4.0
161.09583	1.4
161.13245	2.5
162.10388	0.8
163.06026	0.3
163.11153	0.9
163.14764	1.1
165.09108	0.9
165.12698	0.5
169.10063	0.4
171.10175	0.5
171.11655	1.5
173.09572	0.5
173.13217	2.1
175.11240	1.6
175.14769	0.9
177.12720	1.1
177.16306	0.3
179.14253	0.3
185.13258	0.7
187.14784	0.9
189.11249	2.4
189.12735	0.5
193.12178	0.9
195.11618	0.3
195.13730	1.0
199.14804	0.4
201.16249	0.5
205.12196	1.5
207.13570	0.4
211.13245	0.4
223.13290	14.5
227.12773	3.1
227.17883	0.9
236.14125	0.3
243.21129	1.8
245.18913	0.9
249.14870	2.1
253.82732	0.3
255.17583	0.5
259.20447	0.3
261.22165	6.6
262.22418	0.4
263.16275	0.4
263.20056	0.7
267.15964	0.8
273.18491	8.7
275.20041	0.8
285.16901	0.4
291.19543	70.3
292.19797	1.0
299.23798	0.3
309.20779	0.6
317.24741	2.2
333.24249	0.6
335.25806	67.2
336.26007	0.7
347.22083	1.6
365.23245	41.5
366.23761	0.6
429.21136	0.6
505.35333	0.6
513.36011	0.4
527.37213	1.0
531.36652	0.4
533.39594	0.4
545.38470	4.8
551.41003	0.8
557.38727	0.5
567.40405	0.4
567.55164	0.3
607.43768	3.0
625.44647	100.0
626.45013	2.8
643.45654	1.5
689.42267	0.9
769.48651	0.6
787.49823	0.7
896.63257	0.4
953.46155	0.4
984.57965	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5891
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	7.1
69.07069	27.5
69.55025	2.9
69.55446	2.9
71.01330	1.0
71.04987	2.6
71.36376	0.8
73.02907	2.2
79.05495	40.0
81.03424	5.6
81.07056	43.6
83.04998	6.0
83.08618	10.0
85.02901	5.3
85.06559	1.1
91.03933	2.7
91.05485	28.2
93.07047	39.7
95.04981	7.9
95.08607	30.5
95.09240	1.1
97.02894	9.1
97.06536	5.5
97.10172	11.5
99.04430	1.1
99.08073	1.1
103.05441	1.0
105.04515	1.1
105.07033	23.5
107.04958	7.4
107.08593	27.1
109.02926	1.0
109.06522	5.5
109.09477	1.4
109.10165	18.8
111.08086	2.6
117.07014	10.3
119.04958	1.5
119.08590	17.7
119.39223	0.9
121.06550	4.2
121.10141	15.2
123.04403	1.3
123.08091	5.3
123.11672	4.6
125.09638	8.8
127.03944	1.9
127.07542	1.9
128.06218	2.1
129.07005	4.6
130.07782	1.0
131.08582	12.6
133.06461	2.1
133.10136	15.3
134.07327	1.3
135.08063	4.9
135.11685	8.2
137.09596	2.6
139.11198	1.2
142.07799	1.5
143.08562	3.2
145.04974	1.0
145.06462	1.1
145.10133	8.3
147.08064	6.8
147.11699	8.2
149.09581	2.6
149.13283	6.0
151.11185	2.8
153.09077	1.3
157.10156	4.5
159.08034	1.0
159.11674	5.9
161.09578	3.1
161.13252	3.9
163.05998	1.0
163.07626	0.9
163.11159	3.1
163.14859	2.5
165.09117	1.7
167.08574	1.3
171.11674	3.2
173.13254	3.5
175.11217	3.0
177.12735	1.6
181.27232	0.8
187.14835	2.3
189.11201	3.5
189.12735	1.2
193.12239	2.0
195.11963	0.9
195.13759	1.9
217.15982	1.0
223.13297	14.0
227.12773	4.0
227.17812	1.3
243.20972	1.9
245.18985	2.2
249.14867	5.1
253.14322	5.4
261.22217	9.2
266.95599	0.9
267.15918	2.4
273.18478	14.9
275.19958	2.2
283.15381	1.0
291.19553	100.0
292.19958	1.0
317.24719	2.9
335.25809	68.0
347.21979	3.1
365.23245	69.6
372.78333	1.0
513.35785	1.5
527.37134	1.8
531.36652	2.0
533.40369	1.3
545.38470	5.6
607.43469	5.9
625.44653	97.3
626.44769	1.7
643.45758	2.5
984.54883	1.8
985.52917	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5376
Annotation	Unknow
Peak:m/z	Relative Intensity
68.86388	1.7
69.03425	8.8
69.06727	3.0
69.07074	39.2
71.01335	2.7
71.04991	12.2
71.53743	2.7
73.02919	3.4
79.05495	62.3
81.03419	94.8
81.07056	72.6
83.04986	15.1
83.08620	34.1
85.02905	13.4
85.06536	6.2
87.04457	3.5
91.03957	4.2
91.05482	61.4
93.07047	49.7
95.04975	39.5
95.08607	38.2
97.02892	10.9
97.06541	17.4
97.10177	16.9
99.04427	2.4
99.08069	3.4
99.17359	2.0
103.05441	3.4
105.04467	3.5
105.07035	43.6
107.04956	19.4
107.08594	34.4
109.02890	3.4
109.06522	11.6
109.09460	3.4
109.10165	48.1
111.04432	2.7
111.08125	9.9
115.05426	3.1
117.07024	14.9
119.06168	1.9
119.07801	2.9
119.08587	39.1
121.06496	10.1
121.10155	22.7
123.04416	3.9
123.08038	9.3
123.11739	3.0
125.09641	16.4
127.03902	4.7
129.05492	2.7
129.07014	19.5
130.07800	2.7
131.08575	24.8
133.06456	5.9
133.10152	24.8
135.08047	6.6
135.11679	16.3
135.63713	2.1
137.09621	14.9
141.07028	2.7
142.07808	3.4
143.08577	8.3
145.05006	2.2
145.06508	4.6
145.10149	21.1
145.99641	2.2
147.08037	6.7
147.11691	18.8
149.09627	26.8
149.13249	3.7
151.11172	4.5
155.08565	5.5
155.10623	4.9
157.10133	17.2
159.08081	2.0
159.11736	9.7
161.09560	4.7
161.13214	5.2
163.11218	13.1
165.12749	4.5
169.10138	5.7
171.11688	5.8
173.09634	3.8
173.11739	13.9
173.13264	7.1
175.11174	14.4
177.12794	3.9
181.12262	4.3
183.11696	2.7
185.13252	2.9
187.11249	3.5
189.11197	5.3
191.10635	3.5
193.10471	2.6
193.12242	40.7
195.11642	2.3
195.13835	3.0
199.11169	2.6
199.14763	3.3
205.12231	3.7
211.13196	4.9
213.12776	2.5
219.13811	2.1
223.13190	3.1
225.14780	6.2
227.12798	13.4
229.12097	3.4
229.14339	47.7
241.14359	2.0
243.15813	4.0
249.14778	4.5
253.14319	2.3
255.13637	2.1
255.15962	7.5
257.19067	5.3
267.15924	100.0
269.17523	4.9
273.14746	3.2
273.18503	5.6
275.20084	18.5
291.19681	10.2
301.14273	2.5
315.17917	3.3
317.34787	2.0
329.20972	5.9
331.22845	2.8
347.22125	2.8
349.23764	20.5
355.22708	3.6
359.47940	2.0
365.23178	5.3
373.18210	3.1
385.23584	1.9
403.24664	8.9
421.25885	48.6
423.27325	7.6
429.26382	3.5
435.27347	11.4
437.25497	2.8
445.29724	2.4
447.27493	37.1
459.26996	4.2
461.28839	5.4
463.26123	2.8
477.28491	4.2
495.29474	2.2
529.27771	2.4
541.35205	57.6
557.34735	9.9
559.36505	22.5
691.67999	2.5
888.83032	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	982.6311
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	2.0
69.06731	0.9
69.07078	12.8
71.04984	2.2
71.08637	18.9
71.53821	0.9
73.02912	0.9
79.05065	1.2
79.05499	16.2
81.03412	2.0
81.07065	39.0
83.04993	3.3
83.08144	1.2
83.08627	15.3
85.02917	5.3
85.06539	1.7
85.10188	11.4
89.06027	1.1
91.03957	3.2
91.05485	15.4
93.07047	16.9
95.04973	2.6
95.08615	25.1
97.02909	3.3
97.06535	5.1
97.10162	8.5
99.08077	1.6
103.07587	1.1
105.07034	13.3
107.04975	3.0
107.08599	17.8
109.06541	4.0
109.10166	39.0
111.08055	3.5
115.05468	0.9
117.07012	5.4
119.08594	13.2
121.06522	2.2
121.10152	8.9
122.27546	0.7
123.08074	1.6
123.11718	5.7
125.09643	4.5
127.03928	1.8
129.07002	1.5
131.08559	7.6
133.10133	10.6
135.08060	2.0
135.11699	3.1
137.09637	3.6
137.13257	1.4
139.11086	0.9
143.08575	1.4
145.04956	1.6
145.06345	0.7
145.10133	6.8
147.08125	1.1
147.11673	5.7
149.09616	4.4
149.13263	5.8
155.10677	3.1
157.10138	1.6
159.08023	1.8
159.11700	6.5
161.13240	1.4
163.06076	1.4
163.11197	3.4
165.12674	1.0
167.06293	0.7
171.11673	2.4
173.04541	0.7
173.11751	8.0
173.13237	2.1
177.12758	2.2
179.14325	1.3
180.18263	0.8
183.11729	1.4
189.11252	2.3
191.14380	0.8
195.13875	2.2
227.12804	11.8
229.14368	50.4
230.14726	1.1
239.17952	1.9
239.23723	3.4
247.20598	1.7
257.18979	4.1
257.24802	1.7
269.17517	20.1
275.20078	23.1
279.42941	0.7
289.18100	0.9
291.19479	1.4
293.21115	4.4
313.27386	100.0
314.27713	2.2
331.22638	3.3
335.25781	1.2
349.23755	25.3
363.21637	1.0
367.24835	18.3
373.18420	1.3
413.21591	1.7
467.37372	41.7
468.37323	1.3
481.26758	0.7
483.37030	0.9
507.40509	56.0
508.40680	1.7
538.58923	0.7
547.43799	1.4
569.45557	0.8
587.46765	47.1
588.46942	2.5
605.47791	31.1
615.41827	0.8
623.42816	3.5
641.43524	1.1
651.44659	1.2
723.42743	0.7
731.50598	0.8
749.51282	0.9
769.08380	0.8
908.97913	0.8
982.55817	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	981.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	21.0
69.07072	39.9
71.53696	4.1
79.05068	6.7
79.05495	88.8
81.03426	37.9
81.07053	85.0
83.04562	3.3
83.04974	21.6
83.08620	23.2
85.02923	17.6
85.06544	10.7
91.05481	91.8
93.06480	5.6
93.07045	82.9
95.04970	47.0
95.08614	47.4
97.02877	20.3
97.06544	22.4
97.10169	27.6
102.57007	3.4
103.05491	6.4
105.04488	4.7
105.06388	6.3
105.07034	77.5
107.04960	49.1
107.08599	62.5
109.02876	7.2
109.06523	27.9
109.10164	26.6
111.04439	11.0
111.08096	7.9
112.05261	3.7
113.06003	9.4
115.05420	6.2
117.07019	39.2
119.08580	51.1
121.06503	14.5
121.10126	25.9
123.04459	6.6
123.08051	15.6
123.11691	3.7
125.05990	4.3
125.09625	16.9
127.03869	8.7
128.06236	8.1
129.06995	19.6
130.07785	7.3
131.08557	36.5
133.06461	17.5
133.10120	36.4
135.08061	18.9
135.11697	19.7
137.09605	6.6
141.06975	6.5
143.08611	17.5
145.06467	11.1
145.10118	35.6
147.08035	20.6
147.11685	29.2
149.09637	16.0
149.13252	10.2
151.11160	3.3
155.08455	8.5
157.06447	3.9
157.10092	17.1
159.08067	6.6
159.11707	25.6
161.09605	13.8
161.13239	10.2
162.10320	3.4
163.11191	14.4
165.09091	6.5
167.08580	4.5
169.10205	8.9
171.11693	18.0
173.04446	15.1
173.13271	10.9
175.11188	10.5
175.14853	6.6
177.12772	10.5
181.10260	4.8
181.12192	3.7
183.11731	7.3
185.13257	9.7
187.11049	4.6
187.14876	4.8
189.11221	15.1
189.12796	4.4
191.14275	4.1
193.12181	5.1
195.13741	4.1
197.13297	5.5
199.14717	3.5
205.12218	4.4
211.13271	5.5
213.12730	3.6
217.15845	7.3
223.13228	18.6
227.12700	21.3
229.14378	5.4
233.15392	7.7
239.17995	4.3
241.19553	5.5
249.14812	7.8
257.19022	9.1
259.20636	9.5
267.15945	6.2
269.17398	7.7
273.18427	35.1
275.20026	35.7
279.15903	5.8
290.18637	4.5
291.19559	97.5
293.20978	5.2
307.19031	6.4
315.23273	4.0
333.24194	23.7
347.22116	14.6
349.23825	33.7
365.23221	43.8
374.34363	3.6
381.22891	16.5
413.21625	8.3
519.32867	4.6
535.32526	5.3
541.35205	15.2
543.36780	5.7
559.36322	76.2
565.38745	3.9
581.38397	5.0
621.41364	14.9
623.34137	4.9
623.43048	6.3
639.42584	100.0
657.43652	18.1
703.40375	26.1
772.61542	4.7
783.46313	9.2
801.47424	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	970.6977
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	3.9
69.07078	20.7
69.15253	21.1
69.15655	6.1
71.04990	4.2
75.33893	2.6
76.45119	2.4
79.05500	84.3
81.03427	4.2
81.07065	76.1
83.04971	6.5
83.08618	16.1
85.06542	8.3
91.05484	100.0
93.07057	69.9
95.04975	15.1
95.08063	4.3
95.08615	46.5
95.59421	2.5
97.06533	9.9
97.10162	13.4
99.08112	7.4
103.05497	7.0
105.04516	3.0
105.07041	88.1
107.04940	5.6
107.08607	46.1
109.06544	13.8
109.10182	27.5
111.08095	6.0
115.05464	7.9
117.07024	47.6
119.08595	64.5
121.10155	26.6
123.08097	5.8
123.11769	4.1
124.39560	2.8
125.09660	8.8
128.06245	11.3
129.07016	30.5
130.07771	4.1
131.08575	49.8
133.10141	39.2
135.08060	7.3
135.11664	13.5
137.09676	6.0
141.07034	9.3
142.07799	4.0
143.08594	24.7
145.06502	3.2
145.10150	43.9
147.08052	3.9
147.11688	29.3
149.09647	7.7
149.13272	7.7
151.11205	3.8
155.08577	17.6
156.09401	4.0
157.10144	26.1
159.11707	35.5
161.13243	13.1
163.11273	8.8
165.07011	3.8
167.08562	8.1
167.43700	2.8
168.09348	3.0
169.10118	17.5
170.10953	2.9
170.36264	2.9
171.11740	17.2
173.13255	14.3
175.11266	3.3
175.14828	4.6
179.08589	8.1
181.10138	11.9
183.11746	16.9
185.13258	24.9
187.11195	3.3
187.14844	6.2
189.11163	5.0
189.12759	3.3
193.10138	7.5
194.10938	2.9
195.11751	13.7
197.13313	12.3
199.14864	7.9
201.16412	5.3
203.14348	7.2
204.03564	2.3
205.10110	3.9
205.15863	3.5
207.11676	6.3
209.13310	9.0
211.14870	8.4
213.16383	6.1
219.11884	4.1
221.13254	4.7
223.14754	5.9
229.19498	3.8
235.14864	5.7
237.16351	4.2
239.17976	6.6
241.19566	4.1
249.16299	3.5
255.17355	3.5
257.19012	16.0
259.20529	16.9
273.18723	6.5
275.20151	24.8
283.20505	2.9
291.19504	5.1
315.23303	7.1
339.23352	3.6
349.24146	2.7
379.26114	4.1
393.27579	3.5
445.30246	2.8
485.33029	3.1
515.38684	3.7
527.36212	3.7
533.39716	3.3
543.36475	3.3
549.39337	3.3
589.42371	4.7
605.42236	4.3
607.43652	17.6
623.42865	8.1
625.44305	4.4
706.84296	2.9
733.49609	2.7
777.53064	3.1
787.56207	5.3
801.55609	3.5
813.56482	3.2
819.57391	3.6
863.61450	4.1
881.63177	23.9
899.64313	19.3
999.47424	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	970.6096
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	3.6
69.06738	1.0
69.07071	16.0
71.04976	2.7
71.08621	1.1
73.02897	3.5
77.03915	1.9
79.05492	59.8
79.57109	0.8
81.03400	2.4
81.07057	66.8
83.04971	4.1
83.08214	0.9
83.08618	9.9
85.02902	16.4
85.06530	3.0
86.38527	0.8
91.03965	10.8
91.05479	59.6
93.07044	68.8
95.04979	6.9
95.08606	51.8
97.02883	8.4
97.06536	4.8
97.10172	5.8
98.21529	1.6
99.08070	2.6
103.03938	1.1
103.05468	2.3
105.04517	2.3
105.07031	56.6
107.04967	1.3
107.08595	38.4
109.06520	3.7
109.09472	1.6
109.10155	21.7
111.08047	3.0
113.09647	1.8
115.03872	1.1
115.05472	1.3
116.06233	1.8
117.07014	19.9
119.08582	50.2
121.06512	1.0
121.10141	30.1
123.08031	2.6
123.11745	7.1
125.09613	2.6
127.03906	4.1
128.06219	2.9
129.06999	12.3
130.07799	1.5
131.08566	26.1
131.41908	0.8
133.10130	39.6
135.08051	1.7
135.11690	22.1
137.09622	2.5
137.13240	2.0
139.11072	1.3
141.06999	2.7
142.07803	1.6
143.08565	12.0
144.09296	1.0
145.04935	6.6
145.06477	1.1
145.09052	1.8
145.10129	26.5
147.07977	1.0
147.11685	32.9
149.09598	2.8
149.13257	13.1
151.11145	1.1
155.08539	3.0
156.09352	1.7
157.10109	9.5
159.11694	22.3
161.09650	1.4
161.13257	25.2
163.06023	7.4
163.11166	2.0
163.14828	5.8
165.12695	1.3
169.10121	3.2
171.11694	12.4
173.11786	1.0
173.13275	15.1
175.14822	10.2
177.12781	1.3
177.16364	1.7
181.10191	1.4
183.11681	3.6
185.13261	10.3
187.14845	7.0
189.12721	1.5
189.16370	2.4
195.11642	1.6
197.13283	2.4
199.14832	7.0
201.16428	3.4
209.13283	1.3
211.14813	2.1
213.16409	3.2
215.17921	1.9
217.15848	1.0
217.19504	1.4
223.14949	1.2
225.16360	1.6
227.18094	1.2
231.21106	4.7
239.17946	2.6
241.17313	1.1
241.19548	22.1
243.21045	4.3
257.19028	7.4
259.20572	66.6
261.22137	10.9
271.20496	1.5
273.18604	1.2
273.22034	1.1
275.20059	1.1
277.21606	1.4
283.20383	1.1
285.22195	1.5
287.23621	1.1
289.21573	1.3
297.22076	1.1
299.23880	1.3
301.21542	1.1
303.23132	1.1
311.23447	1.1
313.21716	1.2
315.23083	3.5
317.24689	1.0
325.25336	1.0
331.22644	2.8
333.24237	47.8
335.25790	80.1
336.26288	2.1
337.27405	5.8
339.22864	0.9
343.26404	1.2
349.21548	2.1
351.25211	2.1
367.22726	3.7
385.23618	2.2
403.24493	1.1
441.26447	1.3
477.28564	1.4
495.29141	1.2
503.37271	2.2
515.36786	1.3
519.41626	5.9
527.36908	2.1
529.38525	1.9
537.42688	3.0
541.38782	1.9
593.45715	17.2
611.46692	100.0
612.46606	2.0
623.46552	1.5
635.46362	1.8
689.47473	1.6
701.46887	3.6
719.48248	2.6
737.49481	3.0
755.50244	3.9
943.73279	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.5932
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	18.5
69.07072	8.8
70.10822	2.8
71.04998	1.0
75.27805	0.6
79.05495	15.5
81.03429	1.5
81.07061	22.7
81.07528	1.2
83.04987	1.8
83.08624	2.4
85.02899	0.8
85.06560	0.8
91.05486	17.3
93.07047	16.9
95.01345	2.7
95.04966	2.6
95.08607	14.6
95.09233	0.6
97.06535	7.0
97.10184	1.7
105.07034	22.2
107.04968	3.9
107.08597	7.3
109.06492	1.1
109.10166	4.4
111.08099	1.0
117.07026	4.5
119.08583	10.9
121.10143	4.7
123.04440	0.8
123.08063	1.6
123.11723	1.6
125.09633	1.3
131.08572	7.6
133.10129	10.5
135.08157	0.8
135.11694	4.4
141.06996	0.7
145.06541	0.7
145.10123	5.5
147.11670	4.1
149.09627	1.2
149.13260	1.6
157.10152	0.9
159.11697	3.9
161.13324	1.5
165.05690	0.6
165.09074	0.9
171.11818	0.9
173.13295	1.3
177.12758	0.8
179.14308	3.7
183.11833	0.7
187.11206	1.4
212.62558	0.7
219.17456	4.4
239.18057	0.6
257.19147	1.0
275.20059	18.1
293.21225	0.7
335.25806	47.9
344.82660	0.6
349.23703	13.2
376.39810	0.6
609.45142	100.0
610.45862	3.2
627.46039	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.543
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	59.1
69.03435	9.1
69.06725	1.5
69.07070	22.6
69.29811	9.2
71.01340	1.7
71.04995	8.1
73.02917	2.1
77.03932	1.7
79.05495	53.1
81.03422	84.0
81.07057	58.1
83.04989	11.9
83.08147	1.7
83.08622	28.1
85.02904	9.6
85.06533	4.1
91.03960	2.8
91.05482	49.1
93.07044	45.7
95.01368	1.4
95.04971	30.7
95.08609	26.6
97.02893	7.8
97.06537	14.6
97.10170	16.0
99.04459	1.5
99.08086	2.5
103.05454	2.5
105.03394	1.6
105.04500	1.8
105.07034	44.0
107.04966	14.7
107.08598	36.7
109.02893	1.6
109.06530	8.1
109.10161	16.6
111.04447	3.3
111.08102	11.4
113.05984	1.3
113.63300	1.1
115.05450	4.5
117.07019	18.0
119.04964	2.3
119.08584	28.1
121.06516	9.1
121.10152	20.4
123.04457	3.7
123.08049	6.1
123.11689	3.6
125.09637	12.0
127.03903	3.2
128.06232	2.3
129.05487	1.8
129.07007	15.0
131.04893	1.8
131.08580	26.0
133.06519	5.6
133.10136	23.7
135.04379	1.1
135.08058	5.8
135.11703	13.6
137.05969	1.4
137.09607	3.7
137.13310	1.2
139.11203	1.3
141.06990	3.2
142.07788	3.6
143.08553	7.1
145.04910	1.4
145.06534	5.9
145.10118	15.5
147.04413	1.3
147.08058	6.0
147.11693	16.1
149.09619	16.0
149.13304	7.6
151.11186	2.2
153.09082	2.4
153.12689	1.1
155.08539	4.9
157.10133	13.7
159.08064	3.6
159.11684	12.0
161.09624	3.9
161.13263	3.8
163.06024	1.1
163.11171	8.6
165.12738	3.2
167.08595	1.6
167.10661	1.1
169.10149	5.5
169.12239	1.1
171.08066	2.8
171.10239	1.5
171.11693	4.7
173.04509	1.8
173.09618	2.7
173.11832	1.5
173.13264	4.6
175.11197	11.5
177.12756	4.2
181.10129	2.9
181.12222	1.6
183.11679	4.0
185.09634	1.1
185.13260	3.5
187.11150	3.1
189.11221	8.4
189.12720	2.1
193.12257	21.0
195.11754	2.5
195.13850	2.9
197.09497	1.2
197.13312	2.6
199.11258	1.1
199.13223	1.2
199.14937	1.2
201.12764	2.1
203.14317	1.7
209.11630	2.1
211.11354	1.1
211.13269	2.2
213.12807	1.3
215.14471	1.4
217.15952	1.5
219.13776	2.2
223.13306	3.0
227.12772	13.1
229.14342	5.1
229.19455	1.6
231.13786	1.5
233.15269	1.5
243.13756	1.9
245.13776	2.0
247.20554	1.5
249.14772	2.9
253.14386	1.4
255.15880	7.5
257.15271	1.8
257.19012	4.1
267.15924	72.6
267.57239	0.9
269.17444	18.2
273.15179	1.2
273.18445	2.7
275.20081	20.8
277.38443	1.1
283.15433	1.8
285.17047	1.5
291.19513	4.7
293.21207	1.3
297.22305	1.7
299.20099	1.8
301.14020	2.2
301.16949	1.5
304.66086	1.1
309.20526	1.3
317.16183	1.1
317.21182	1.7
331.22852	1.5
349.23798	25.3
351.23123	3.7
355.22723	1.2
365.23203	2.1
367.24683	3.4
369.24225	3.0
375.17960	1.5
387.24921	2.2
403.24762	2.3
405.26443	1.3
417.26178	1.2
419.24429	1.4
421.25818	8.4
431.29254	1.7
435.27448	2.5
437.25262	2.9
443.27939	8.9
445.29755	1.7
447.27441	32.2
449.30667	3.1
459.27206	4.6
461.29001	100.0
462.29175	1.5
465.18219	1.3
467.31503	2.9
475.30524	1.5
477.28214	3.9
479.30356	2.1
485.32382	3.5
489.27902	1.5
493.31680	11.7
501.31967	3.8
503.30042	3.3
511.28366	1.9
513.35760	1.4
519.32935	2.1
523.34229	5.5
526.82959	1.2
527.28931	1.4
541.35303	92.8
557.31702	1.5
559.36328	39.2
569.30902	3.1
573.37555	3.5
583.36395	4.1
587.32013	4.1
587.79553	1.3
591.39459	6.2
605.32764	2.6
649.36511	1.7
650.83704	1.4
667.38275	3.3
685.39148	3.0
703.40515	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	967.5633
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	45.1
69.03430	1.6
69.07077	6.8
71.05016	1.1
71.53740	1.0
75.65187	0.7
79.05497	26.8
81.03442	2.5
81.07062	30.6
83.04986	2.4
83.08636	4.0
85.02916	1.4
85.06551	8.0
91.04907	0.9
91.05488	21.9
93.07051	30.6
95.04977	38.8
95.08616	23.6
95.09238	0.8
97.06518	3.7
97.10165	2.2
99.08109	0.9
105.07043	15.8
107.04960	6.7
107.08604	16.5
109.06525	39.9
109.10177	5.8
111.08112	2.5
113.06011	19.1
117.07033	9.4
119.08592	11.6
121.06540	3.5
121.10152	10.7
123.08102	2.7
123.11704	1.7
124.99578	0.9
128.06259	1.2
129.07028	5.1
131.08580	13.5
133.06497	2.2
133.10139	7.6
133.31567	0.8
135.08067	31.0
135.11702	7.4
135.89345	0.7
136.01654	1.1
137.09676	1.0
141.06973	0.9
142.07819	1.4
143.08600	5.7
145.06514	1.2
145.10146	9.1
147.08058	4.5
147.11716	3.5
149.09671	5.0
149.13278	3.1
151.11275	0.9
155.08566	1.1
157.10130	3.4
159.08093	1.9
159.11743	4.5
161.09645	6.2
161.13274	1.7
163.11192	2.6
164.99672	0.7
169.10129	1.9
171.11746	3.2
173.09781	1.0
173.13318	1.9
175.11217	1.6
177.12770	1.5
183.11758	2.5
185.13310	2.0
189.12775	0.9
195.11731	1.4
195.13734	1.0
199.11041	0.7
199.14934	2.8
199.35155	0.7
201.12915	0.8
217.15857	7.6
233.15408	1.6
235.71170	0.8
237.16478	1.3
245.18979	1.0
255.17563	2.1
259.20660	0.9
273.18506	22.5
275.20151	1.6
279.15671	0.9
291.19562	72.2
309.20572	1.1
317.25153	1.0
335.25818	73.0
347.22272	8.0
349.24054	1.2
365.23267	17.7
437.74728	0.7
567.40778	2.8
607.43561	17.7
625.44672	100.0
626.45068	2.8
728.97632	0.8
800.96460	0.9
967.53912	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6208
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	42.3
69.03429	7.2
69.07069	21.5
69.48038	4.3
71.01379	1.1
71.04988	2.7
71.08633	25.4
73.02912	2.7
75.27197	0.7
77.03909	1.0
79.05495	29.3
80.05840	0.7
81.03420	9.9
81.07059	55.8
83.04981	8.0
83.08620	17.3
83.86872	0.7
85.02904	11.7
85.06532	3.0
85.10184	14.5
87.82426	0.7
89.03851	0.8
89.06037	1.3
91.03968	4.6
91.04904	1.2
91.05480	26.5
93.07044	34.4
93.07636	1.7
95.04976	6.6
95.08610	34.8
97.02909	7.3
97.06529	9.9
97.10167	9.2
99.04465	2.2
99.08100	2.2
99.11710	0.9
103.05468	1.3
105.04547	0.8
105.07031	17.3
107.04956	5.9
107.08595	19.8
109.02870	2.0
109.06525	4.4
109.10159	14.7
111.04449	1.8
111.08080	2.9
111.11715	1.5
115.05489	1.0
117.07008	10.4
119.08582	13.3
121.06516	3.6
121.10149	11.4
123.08069	3.6
123.11700	5.5
125.09641	2.7
127.03915	5.1
128.06187	0.8
129.05516	1.4
129.07018	4.4
130.07840	0.9
131.08578	13.0
133.06500	0.9
133.10132	13.9
135.08089	2.3
135.11688	11.1
137.05698	0.8
137.09612	2.2
137.13243	1.7
141.07008	0.8
143.08592	2.6
145.04967	3.7
145.06467	1.3
145.10130	12.0
147.08099	1.2
147.11685	6.2
149.09625	8.3
149.13251	8.5
151.11203	1.6
155.07222	0.7
155.08598	2.1
157.10199	2.0
159.08101	1.0
159.11687	9.6
161.09583	1.2
161.13312	1.8
163.06018	1.7
163.11215	6.1
163.14771	0.8
165.12701	0.8
169.10130	1.5
171.11743	2.1
173.04416	4.1
173.13257	2.9
175.11235	1.4
177.12770	3.4
179.14330	0.9
183.11726	2.0
185.13419	0.9
187.11143	0.8
187.14761	1.0
191.14435	0.9
195.13821	3.4
197.13341	0.9
199.14769	0.8
203.14430	1.1
213.14806	1.0
217.15884	2.6
219.13715	1.1
227.12715	4.7
229.14415	2.3
229.19489	1.5
239.18053	2.3
239.23721	2.9
247.20743	1.9
251.16316	1.3
253.14499	0.8
255.15921	15.2
257.19067	7.7
257.24734	2.1
267.15964	3.4
269.17484	37.2
275.20081	24.4
276.20352	1.0
291.19516	1.8
293.17645	1.7
293.21109	2.2
309.20624	2.1
313.27371	92.0
314.27628	1.3
321.16846	0.9
321.24210	1.1
331.22638	3.5
339.18076	1.9
349.23734	29.2
367.24655	4.6
376.30927	0.8
413.21960	3.4
467.37531	2.5
491.41660	1.1
493.28003	1.1
493.38870	22.9
494.39969	1.0
507.40466	100.0
508.40790	2.8
511.29443	0.9
531.39758	1.1
545.88531	0.8
547.43890	5.0
569.45551	1.2
587.46698	48.9
588.46777	1.5
605.47723	16.8
627.40979	1.2
629.47345	1.2
637.43433	0.9
651.44629	3.2
731.50989	1.9
749.51630	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	964.6204
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	37.4
68.70234	1.1
69.03429	7.2
69.06741	1.3
69.07076	16.5
71.04998	2.3
71.08637	21.0
71.53603	1.6
73.02900	4.0
73.67900	1.1
79.05492	26.7
81.03430	6.7
81.07061	45.8
83.04981	6.4
83.08610	13.7
85.02906	17.0
85.06548	2.0
85.10185	12.2
89.06004	1.9
91.03967	7.7
91.05486	28.8
93.07047	32.7
93.07632	1.7
95.04957	4.6
95.08607	39.4
96.04503	1.2
97.02901	12.0
97.06540	6.2
97.07088	1.1
97.10164	7.1
98.09674	1.6
99.04446	1.7
99.08096	3.1
103.05471	1.1
103.42789	1.0
105.07039	31.0
107.04964	3.0
107.08598	19.3
109.02892	1.9
109.06540	3.8
109.10159	16.0
111.04448	2.6
111.08070	2.5
113.09650	1.7
117.07009	10.1
119.08580	27.4
121.06505	2.4
121.10162	12.9
123.08063	3.2
123.11729	5.5
124.02756	1.2
125.09612	1.9
127.03933	6.1
129.05460	3.1
129.07008	6.4
131.08574	14.8
133.10146	27.5
135.08072	2.2
135.11703	11.2
137.09714	1.2
137.13220	1.5
142.70712	1.0
143.08580	6.4
145.04990	6.0
145.10139	12.8
147.11691	21.2
149.09618	6.4
149.13280	10.5
155.08540	1.3
157.10124	5.0
159.11682	11.2
161.13261	12.4
163.06081	4.4
163.11186	4.3
163.14856	1.8
169.10156	1.3
171.11693	7.4
171.91777	1.2
173.11900	1.5
173.13310	5.1
175.14882	5.5
175.16263	1.2
177.12711	3.1
179.14355	2.4
180.08661	1.3
183.11649	1.3
185.13263	4.5
187.14832	1.4
195.13809	5.8
199.14862	3.8
217.15845	1.8
218.43175	1.2
227.12825	1.9
231.21004	2.8
239.17970	1.9
239.23727	3.8
241.19548	16.4
247.20670	1.6
257.18982	4.3
257.24738	1.3
259.20596	52.4
261.14865	1.3
269.17490	22.5
275.20090	11.8
277.21689	1.5
281.17450	1.4
285.14960	1.3
293.17661	2.7
303.16058	1.7
306.57220	1.3
313.27380	100.0
315.23398	1.7
333.24249	33.0
349.23807	10.2
507.40494	54.9
508.40405	1.3
519.40308	3.0
531.41553	1.4
561.41284	1.8
571.47400	12.5
587.46741	12.9
589.48267	45.9
590.48822	1.8
655.48987	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	962.6047
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04804	1.5
67.05187	4.4
67.05492	16.3
69.03430	4.5
69.06722	1.1
69.07072	14.1
71.04980	1.8
71.08637	10.7
71.31135	1.3
71.41914	0.6
73.02913	1.0
75.86765	0.6
79.05059	1.1
79.05491	11.4
81.03413	4.7
81.07056	17.8
83.04987	2.2
83.08617	8.4
85.02898	3.2
85.10178	6.8
89.06035	1.3
91.03957	2.2
91.05479	8.4
93.07049	9.6
95.04977	4.7
95.08607	13.8
97.02896	7.0
97.06516	1.9
97.10172	8.9
103.05458	0.7
105.07030	6.5
107.04993	3.5
107.08598	6.9
109.06503	1.4
109.10147	8.6
111.04472	0.8
111.08061	1.2
113.13212	0.7
117.06998	4.0
119.04924	0.7
119.08603	6.5
121.06483	1.7
121.10143	2.7
123.08092	2.1
123.11696	2.0
125.09637	5.9
127.03922	1.3
129.07034	1.4
131.08577	4.6
133.06506	1.6
133.10133	2.4
134.07283	0.8
135.08060	2.0
135.11708	1.6
137.09619	1.2
143.08546	1.8
145.06502	1.0
145.10109	3.0
145.75014	0.6
147.08055	4.2
147.11703	2.5
148.17448	0.6
149.09650	1.1
150.51462	0.7
152.80663	0.7
153.09155	0.8
157.10161	2.1
159.10265	0.6
159.11594	1.4
161.09607	1.7
162.77898	0.7
163.11140	1.4
165.09149	1.0
175.11206	1.7
189.11246	2.4
193.12233	1.4
194.25397	0.6
211.13333	1.2
223.13298	14.8
227.12759	3.3
239.23834	1.0
249.14873	2.0
253.34889	0.7
257.24854	1.7
267.15961	1.4
273.18466	10.3
287.65900	0.7
291.19543	69.2
313.27374	65.9
341.27197	0.7
347.22162	2.0
365.23248	59.5
366.23645	1.1
483.36838	0.8
505.38675	1.7
523.39960	5.3
585.45569	1.8
603.46191	100.0
604.46448	3.0
621.47217	1.3
873.03143	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	13.9
69.03426	3.9
69.07069	7.3
69.21796	1.5
69.22199	8.3
70.06596	1.5
71.01354	3.8
71.04997	39.2
73.02930	6.4
75.04490	4.8
79.05489	9.3
81.03409	3.2
81.07064	36.8
83.04986	14.0
83.08628	4.5
83.67754	0.9
85.02911	80.4
87.04485	1.9
91.03965	5.6
91.05489	9.5
93.07048	27.3
95.01334	16.9
95.04981	1.8
95.08613	52.9
97.02896	9.5
97.06531	7.2
97.10182	3.1
99.00813	1.8
99.04478	2.0
99.08132	1.1
101.02370	1.3
101.06046	1.3
103.03931	2.7
103.05462	1.3
105.07043	29.1
105.07763	1.5
107.08601	42.2
109.02915	1.6
109.06522	2.8
109.10162	50.9
111.04451	13.5
111.08085	10.9
113.02383	3.3
115.03880	1.2
117.07018	3.0
119.08590	42.2
121.06484	1.7
121.10149	34.7
123.08076	2.0
123.11720	13.7
125.09639	3.0
127.03903	7.1
129.05490	22.5
129.07007	1.9
131.03416	1.2
131.08577	8.5
133.10144	30.0
135.11711	18.6
137.06003	1.9
137.09616	1.6
137.13284	3.5
139.11176	1.5
141.01837	45.5
143.08580	4.5
144.09328	1.5
145.04971	6.7
145.10141	19.7
145.11255	1.2
147.04495	1.3
147.06540	12.7
147.11696	25.2
149.09628	1.7
149.13275	22.5
151.11188	2.3
151.14806	1.5
152.32857	0.9
157.10149	7.4
159.02881	10.4
159.11697	25.3
161.09647	1.7
161.13269	31.7
163.06056	9.8
163.11165	2.0
163.14842	17.0
165.12675	1.8
165.30136	1.0
167.07025	1.1
169.10179	2.2
171.11684	7.5
173.13271	15.6
175.14832	22.5
177.03972	1.7
177.12747	2.3
177.16409	11.1
178.76997	1.1
183.11664	2.7
185.13260	6.2
187.14838	12.4
189.12697	1.1
189.16380	19.2
191.14331	3.6
191.17975	8.2
193.12216	1.6
193.15858	4.1
195.17465	1.9
197.13293	2.6
199.14803	7.5
201.16385	14.1
203.14343	3.2
203.17960	16.0
205.15915	10.6
205.19598	4.2
207.13969	1.2
207.17477	7.8
211.14821	3.4
213.16394	7.2
215.17970	14.3
217.16039	4.7
217.19537	10.0
219.17435	9.4
221.15413	9.7
221.19003	3.3
223.16869	5.2
225.16483	1.6
227.17952	3.7
229.19514	3.1
231.17487	5.5
231.21358	1.0
233.19032	9.6
235.16962	3.5
239.17981	1.5
241.19560	3.4
243.21094	1.9
245.19052	5.9
249.18246	1.2
251.20114	1.6
253.19655	1.9
255.08659	1.5
255.21117	2.1
259.20584	1.9
261.18610	1.2
263.20169	2.6
269.06589	1.3
271.20676	1.2
273.09784	2.2
273.22107	1.7
281.22736	1.2
283.24170	1.1
285.07489	1.6
287.07635	2.2
297.22235	1.0
305.08734	8.8
309.11874	3.5
311.23752	1.3
311.27277	1.1
313.25250	1.9
323.09952	1.5
329.24780	1.7
331.26212	1.3
339.09470	1.4
343.26486	1.6
345.27945	1.1
363.30472	2.4
365.19431	1.2
381.31558	6.8
391.33536	1.4
393.35486	1.5
399.32468	7.0
403.33633	3.5
409.34613	6.3
421.34656	38.5
423.36139	1.7
427.35806	9.4
439.35754	100.0
440.35956	2.1
446.58643	1.1
457.36838	40.4
576.82971	1.3
579.36768	5.0
597.37805	8.5
615.38898	8.6
633.40839	1.3
635.34998	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6157
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	86.2
69.03421	3.8
69.06730	1.8
69.07075	20.6
71.04980	1.5
71.08624	1.7
71.49080	1.2
73.02912	3.6
77.03896	1.2
79.05499	60.3
80.33989	1.1
80.83367	1.1
81.03408	2.6
81.07059	84.8
83.04987	3.3
83.08629	10.2
85.02917	16.7
85.06527	3.6
91.03961	11.0
91.05486	53.3
93.07047	70.8
95.04983	6.7
95.08613	62.8
97.02890	8.8
97.06517	5.5
97.10168	6.0
98.21449	3.1
99.08097	2.8
103.05423	1.7
105.04536	2.3
105.07037	43.2
107.04974	2.9
107.08601	37.9
109.06528	3.1
109.10159	26.4
111.08109	1.7
115.05465	2.2
117.07009	18.1
119.08586	32.5
121.06500	1.5
121.10152	27.2
123.08051	1.2
123.11700	9.6
125.09627	3.6
126.99409	1.1
127.03918	4.0
128.06209	2.4
129.07004	8.3
131.08580	23.9
133.10143	26.3
135.11716	20.3
137.09595	2.9
137.13271	2.5
139.11179	1.8
141.06989	2.2
143.08583	8.6
144.09416	1.3
145.04956	5.2
145.10130	19.6
147.11691	16.6
149.09583	1.8
149.13283	12.9
155.08548	4.5
157.10162	7.4
159.11694	13.9
161.13248	9.9
163.05980	7.3
163.11188	2.5
163.14850	6.0
167.08571	1.7
169.10109	3.7
171.11711	7.0
173.13277	13.9
175.14832	5.5
179.14273	1.3
181.10126	3.0
183.11678	2.8
185.13269	5.9
187.14844	4.0
189.16397	2.1
193.10153	1.7
195.11754	1.5
197.13280	1.9
199.14810	3.8
201.16516	1.5
206.00493	1.4
209.01180	1.1
209.13377	2.7
211.14845	2.1
213.16447	1.9
221.13390	1.4
223.14832	1.5
225.16364	2.0
237.16599	1.6
239.17953	2.1
241.19609	6.1
243.21106	4.3
253.19673	1.3
257.18997	2.8
259.20526	11.1
261.22150	21.3
263.23514	2.3
271.20615	1.5
275.20007	3.7
281.21713	1.1
299.23972	1.3
315.23239	1.8
317.24582	2.9
333.24207	10.3
335.25812	100.0
336.26193	1.8
337.27359	12.7
359.55765	1.2
379.26419	1.7
489.35608	1.3
503.36606	1.3
517.39850	2.9
521.43359	3.7
531.39471	1.8
533.39862	1.4
591.43866	4.8
595.38428	1.7
595.47205	19.2
607.42896	2.4
613.48260	30.4
697.81976	1.3
758.78021	1.5
789.55792	3.6
803.58508	5.8
865.63220	2.6
883.63708	5.0
901.64337	4.0
937.44574	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	100.0
69.03426	13.1
69.07070	42.3
69.86707	8.3
70.06583	2.0
71.01392	3.1
71.04987	7.8
71.84470	1.3
73.02932	7.4
73.06572	1.3
77.03915	1.7
79.05499	76.4
80.06248	2.0
81.03425	62.5
81.07062	81.7
81.49670	1.5
82.04259	1.4
83.04987	25.3
83.08625	33.8
85.02908	33.2
85.06542	7.3
91.03962	8.7
91.05486	85.3
93.07050	68.4
95.04974	38.4
95.08614	50.3
97.02906	17.3
97.06541	28.3
97.10181	23.9
98.07330	2.3
99.04468	4.9
99.08112	5.4
103.05462	2.7
104.22945	1.4
105.04501	2.3
105.07042	65.7
107.04961	25.2
107.08601	46.3
109.02884	3.9
109.06540	14.0
109.10166	42.1
111.04444	6.0
111.08092	19.5
113.06052	2.8
115.05473	2.4
115.07607	1.7
116.04712	5.7
117.07009	23.1
119.04917	1.7
119.08588	49.6
120.05732	1.4
121.06502	7.4
121.10150	24.5
123.04455	2.3
123.08086	13.0
123.11684	6.6
125.09649	18.6
127.03938	10.3
128.06279	3.3
129.05502	16.5
129.06996	17.0
130.07823	2.2
131.08583	32.1
133.06485	4.3
133.10146	40.2
135.08092	9.5
135.11705	19.3
137.09641	16.4
141.06995	4.0
142.07791	4.1
143.07033	3.0
143.08566	8.7
145.04961	3.3
145.06464	2.2
145.10144	23.8
146.10782	1.4
147.08070	7.5
147.11693	29.6
148.65825	1.4
149.09631	27.0
149.13243	8.1
151.07446	1.4
151.11183	5.0
153.09123	3.4
153.12762	2.4
155.08585	4.0
155.10675	3.7
157.08624	7.2
157.10155	20.3
159.08098	1.6
159.11681	15.3
161.09612	5.6
161.13240	7.1
162.73306	1.3
163.06091	3.1
163.11212	19.0
165.09073	2.1
165.12802	5.6
169.10124	4.6
171.10231	3.3
171.11716	6.5
173.04503	4.6
173.09673	3.9
173.11751	9.7
173.13274	6.1
175.11194	20.6
177.12746	7.3
179.10632	1.4
179.14304	4.1
181.12195	7.1
183.11713	2.2
185.13278	3.5
187.11230	2.6
187.14841	3.4
189.11211	10.9
189.12697	2.3
191.10706	3.0
193.10475	2.5
193.12253	50.4
195.13821	4.8
197.13245	3.8
199.13318	8.9
199.14873	2.0
200.14076	1.7
201.12723	1.8
202.10968	1.6
209.11673	7.5
211.13301	54.5
211.15268	3.2
215.17984	1.5
227.12761	27.7
229.14331	16.3
229.19444	3.1
237.16434	1.9
239.17987	4.0
243.15947	3.1
245.19092	2.3
247.20580	3.0
249.14972	2.2
253.14392	7.8
253.17934	1.6
255.15839	11.3
257.19049	8.7
259.20685	4.1
265.14545	3.1
267.15939	36.5
269.17520	18.6
273.18564	8.5
275.20084	52.9
283.15442	13.1
285.16983	42.8
291.19522	11.7
293.21063	3.5
299.14853	3.0
301.16476	42.8
311.20065	1.5
321.24466	2.5
331.22635	2.6
347.22119	2.6
349.23764	61.1
365.23346	7.8
381.22733	2.8
383.24390	2.4
385.23856	1.7
393.26459	2.5
409.25830	3.8
411.27448	3.2
421.25781	9.8
423.27411	10.1
435.27484	1.9
439.26947	31.1
445.25565	1.9
447.27856	3.6
453.28534	3.9
460.28278	1.6
461.28943	5.1
463.30661	4.0
465.28796	4.0
471.25528	4.2
477.28619	8.7
478.29218	1.8
479.30383	3.9
481.28125	7.0
495.29559	22.1
503.33630	1.9
523.34412	1.7
531.36755	2.7
535.32080	1.7
539.33508	1.8
541.35278	23.6
557.35022	14.4
558.35455	2.3
559.36292	43.2
575.35797	44.2
577.37024	6.4
593.36877	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	951.5679
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	96.0
69.03435	19.4
69.07072	29.0
71.04991	9.4
71.54456	3.7
71.55156	2.2
73.02924	5.8
77.17712	2.4
79.05498	74.4
81.03423	30.5
81.07063	100.0
83.04982	14.8
83.08626	18.4
85.02910	16.8
85.06544	3.5
91.03947	6.5
91.05490	64.9
93.07052	92.0
95.04956	11.7
95.08616	66.5
97.02898	17.7
97.06547	24.2
97.10172	10.5
99.04458	4.8
99.08078	4.7
103.05497	2.6
105.07042	51.8
107.04957	13.0
107.08606	52.9
109.02863	7.4
109.06525	10.3
109.10168	37.3
111.04443	4.7
111.08073	5.2
111.96807	2.2
115.05468	3.9
117.07036	21.0
119.08595	39.7
121.06494	4.8
121.10166	34.1
123.08063	3.8
123.11752	11.0
125.09642	8.9
127.03918	9.1
129.05489	2.7
129.07031	7.3
131.08583	30.6
133.06528	4.4
133.10146	31.5
135.08073	5.6
135.11699	20.1
137.09598	3.8
141.07034	5.0
143.08578	7.4
145.06549	2.7
145.10149	23.6
147.11703	22.2
149.09656	17.3
149.13243	14.1
151.11214	3.8
155.08611	2.9
157.10100	5.9
159.08066	3.7
159.11705	17.4
161.13255	12.6
163.11203	6.8
169.10170	5.8
171.11705	9.9
173.04436	8.4
173.11838	3.7
173.13274	9.7
175.11273	3.6
175.14838	5.5
177.12845	2.8
179.14278	2.9
183.11740	5.0
185.13231	3.7
187.11185	4.1
187.14861	3.5
189.11250	4.5
195.11871	2.7
195.13725	5.2
197.13403	3.2
199.64330	2.3
201.16551	3.3
211.14862	3.8
227.12817	19.0
229.14375	9.4
243.21068	3.7
247.20670	2.6
253.18457	2.3
257.18918	7.0
259.20593	2.8
261.22195	11.8
267.15878	2.4
269.17581	6.8
275.20074	42.9
283.15347	2.5
293.20978	4.7
313.21643	2.9
317.24808	4.3
331.22476	2.9
333.24234	4.7
335.25812	94.0
349.23752	34.5
369.24008	3.2
405.26392	4.1
413.21719	11.8
419.23767	2.9
431.31439	3.4
457.26230	3.2
479.30176	2.8
489.35657	7.9
505.35522	5.3
511.28564	2.4
517.40289	2.5
529.38904	58.1
550.08673	2.7
569.41724	4.5
609.45166	60.8
627.46204	27.7
651.45990	3.8
673.43164	15.4
735.48303	2.9
753.48877	3.3
771.49652	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	949.5525
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	100.0
68.05820	2.7
69.03436	21.9
69.06727	2.7
69.07071	35.5
69.56866	11.5
71.04996	9.3
73.02930	9.3
79.05492	66.9
81.02991	2.6
81.03424	37.0
81.07058	81.2
83.04980	13.0
83.08620	19.8
85.02905	24.6
85.06537	4.7
91.03941	7.1
91.05482	67.1
92.05792	2.0
93.06483	3.5
93.07048	68.9
94.07372	2.1
94.22123	1.6
95.04974	14.9
95.08611	62.3
96.08920	2.6
97.02898	25.1
97.06525	18.2
97.10167	11.9
99.04435	6.2
99.08103	3.7
101.02364	1.7
101.06142	1.5
103.05476	2.6
105.04520	2.7
105.07033	56.8
107.04961	10.2
107.08596	38.3
109.02881	8.8
109.06568	9.0
109.10166	40.7
110.10497	3.0
111.04456	3.8
111.08076	6.3
113.02354	1.6
113.05975	1.8
113.09630	1.8
115.05434	3.7
116.06245	1.9
117.07017	32.1
119.08583	48.6
121.06495	5.6
121.10162	26.8
123.08063	6.1
123.11695	5.6
125.05973	1.6
125.09614	5.4
127.03928	11.9
128.06216	8.1
129.05467	4.8
129.07016	20.5
130.07780	2.5
131.08560	36.9
132.08861	1.8
133.06526	3.0
133.10139	38.0
135.08047	7.9
135.11690	18.8
137.05927	1.7
137.09610	6.2
137.13182	2.2
141.06972	8.6
142.07846	4.1
143.08582	25.9
145.04987	4.2
145.06442	3.6
145.10135	37.4
147.08000	3.7
147.11690	25.0
149.09633	6.6
149.13272	11.5
151.11140	3.4
153.07051	2.7
154.07780	3.1
155.08568	17.8
155.10625	2.6
157.06453	1.8
157.10152	25.0
158.10878	2.1
159.08025	2.6
159.11691	24.9
161.09599	5.0
161.13254	13.0
163.06088	2.1
163.11211	7.2
163.14813	4.5
165.07019	2.3
165.12738	2.2
166.07729	1.9
167.08572	7.4
169.10141	19.9
171.08040	2.2
171.11687	22.2
173.04460	16.9
173.09633	3.7
173.11746	6.1
173.13274	13.4
175.11157	4.4
175.14825	5.6
177.12773	4.3
179.08543	3.7
181.10120	10.6
183.11687	19.0
185.09592	4.1
185.13280	16.1
187.11206	3.5
187.14783	9.0
189.11220	2.9
189.12759	3.0
193.10115	6.3
195.11714	13.5
197.09628	1.9
197.13300	10.5
199.11278	2.1
199.14818	12.1
201.12732	2.3
201.16368	2.7
205.10219	2.4
207.11722	4.8
209.13306	9.2
211.14801	11.0
213.12836	3.3
213.16374	5.0
215.17995	3.4
217.15858	3.0
219.11745	3.6
221.13252	4.6
223.14821	7.0
225.16408	3.5
227.12811	4.9
227.18018	2.4
229.14320	21.4
230.14638	6.4
233.13239	2.3
235.14868	4.9
237.16371	3.1
239.17972	3.8
241.19466	8.0
245.18895	2.0
247.14911	2.5
249.16495	2.7
251.18100	2.6
253.19528	2.5
257.18991	6.1
259.20593	13.6
261.22128	6.4
262.22678	2.1
263.17892	3.0
267.15836	2.7
269.17429	3.1
271.20511	2.6
273.18445	3.5
275.20114	12.7
277.21527	2.2
283.20599	2.0
287.20020	2.1
291.19760	2.6
297.16971	1.9
297.22034	3.2
298.17252	2.3
299.20163	2.0
313.21579	3.9
315.22986	2.5
333.24384	10.2
335.25864	15.8
336.26208	10.5
349.24036	9.4
355.07355	1.6
367.22641	4.1
373.24615	2.3
397.31207	2.2
413.21454	2.7
435.32443	5.9
453.33612	2.4
487.34030	2.1
489.35843	9.0
490.35950	10.1
495.34549	3.4
505.35559	2.2
509.36200	4.8
513.35608	16.6
515.38263	9.8
525.35596	2.1
527.30164	2.7
527.37372	38.7
529.38910	2.6
533.39917	4.8
539.37427	3.5
545.38519	5.9
551.40729	3.5
557.38348	2.0
558.38812	4.0
567.39990	1.9
568.14117	1.7
569.39203	2.7
589.42773	3.2
597.44934	2.6
607.34192	3.4
607.43616	62.9
608.43634	2.3
609.44928	2.6
623.42389	2.6
625.44647	91.5
626.44861	3.0
635.39240	5.8
649.44629	3.1
653.39996	5.5
667.45551	2.3
671.41644	10.4
689.42578	13.7
715.45428	2.6
733.46088	5.6
751.46844	6.6
769.49207	15.5
787.50122	16.0
949.53766	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	949.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	83.2
69.03428	24.4
69.07068	29.4
71.01329	3.0
71.04978	8.8
73.02907	8.6
74.56304	1.9
79.05073	3.5
79.05498	60.5
80.05833	2.8
81.03420	43.7
81.06588	4.1
81.07062	75.4
83.04977	15.9
83.08627	21.4
85.02902	26.8
85.06526	6.6
87.25049	1.9
91.03957	11.7
91.05482	68.8
93.07047	71.9
94.07904	2.0
95.04985	20.6
95.08608	60.7
97.02898	29.2
97.06534	17.1
97.10153	7.5
98.20718	5.6
99.04442	7.3
99.08099	3.2
103.05461	4.8
105.07030	61.2
107.04969	9.9
107.08599	44.1
109.02849	10.4
109.06490	7.5
109.10149	25.5
111.04456	4.0
111.08083	6.4
115.05457	6.1
117.07019	29.9
119.08585	47.4
121.06480	6.4
121.10143	27.6
123.04349	2.1
123.08059	7.1
123.11679	7.7
125.09663	9.8
127.03923	13.7
128.06201	6.6
129.05498	4.3
129.07022	27.5
130.07648	2.2
131.04897	2.4
131.08578	39.6
133.06458	4.9
133.10127	36.6
135.08020	6.8
135.11729	17.1
137.09679	4.7
138.41875	1.9
141.06987	8.2
142.07773	5.6
143.08574	24.6
145.04961	6.1
145.06477	4.6
145.10126	36.3
147.08008	5.7
147.11710	25.7
149.09627	8.0
149.13281	9.9
151.11061	2.3
153.07007	3.2
155.08556	20.0
156.09280	2.6
157.10139	24.7
159.11690	26.9
160.06396	1.9
161.09607	3.0
161.13263	16.3
163.06003	3.5
163.11183	4.6
163.14857	4.1
165.06964	2.1
165.12778	4.0
167.08591	8.7
169.08813	2.9
169.10107	15.1
169.99277	2.1
171.07956	2.8
171.10349	3.3
171.11681	18.1
173.04492	15.6
173.09554	3.1
173.11850	4.1
173.13196	13.1
175.11244	2.3
175.14813	5.8
177.12738	2.8
177.16281	1.9
179.08586	5.4
181.10146	11.1
183.08130	2.3
183.11691	17.5
185.09605	2.1
185.13284	14.3
187.11212	5.7
187.14845	11.7
189.12692	3.1
193.10193	4.0
193.12155	3.0
195.11708	13.7
195.13574	2.2
197.13269	11.3
199.11162	3.6
199.14845	8.7
201.12810	3.4
201.16327	5.4
207.11755	3.8
207.34511	2.0
209.13277	8.6
211.11276	2.3
211.14784	9.7
213.12785	3.0
213.16379	7.7
217.09991	2.5
217.12370	2.3
217.15918	2.3
219.11644	2.3
221.13223	4.8
223.14920	9.7
225.12863	3.7
225.16370	5.2
227.12767	6.0
227.17955	3.1
229.14302	7.9
229.35448	2.6
235.14850	4.7
237.16397	3.6
239.17953	3.3
241.19557	6.4
249.16562	2.7
251.18010	2.3
257.18912	6.2
259.20517	14.3
261.22156	2.9
267.15881	5.0
269.17477	8.6
273.18524	4.8
275.20126	19.3
276.20544	2.1
297.22107	3.1
301.21686	5.0
309.22238	2.8
313.21851	3.7
315.23193	3.1
333.24579	10.6
335.25726	6.4
349.23810	8.2
351.23322	2.4
367.22699	3.3
411.20306	3.5
421.30734	2.4
477.27972	2.3
509.35992	3.9
513.35858	18.2
515.38068	8.2
525.35028	2.1
527.37408	32.0
529.39227	2.5
533.39563	6.3
545.37378	3.6
551.40820	6.2
555.36353	3.4
567.39990	2.8
589.42175	3.4
593.37805	2.8
597.45673	4.0
607.34192	3.1
607.43610	62.6
623.39258	2.5
625.44659	100.0
635.39142	3.6
649.43909	3.2
653.40045	7.5
671.41919	12.4
683.11133	2.3
689.42261	18.6
703.44006	2.4
715.44678	3.6
733.46063	8.4
751.46991	7.9
769.49200	11.1
787.49738	20.0
949.54517	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	937.586
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	1.9
69.03426	2.5
70.92873	1.1
71.01381	0.5
71.05006	0.5
71.08630	1.0
73.02922	3.6
78.01572	0.4
79.05497	1.1
81.03426	1.2
81.07062	2.2
81.14949	0.4
83.08615	0.6
85.02909	4.3
91.03949	3.5
91.05488	0.8
93.07045	1.3
95.08618	1.8
97.02890	5.1
98.20697	0.4
99.04465	0.8
101.02384	0.9
107.08627	0.5
109.02923	0.6
115.03980	0.5
119.00373	0.4
121.10136	0.8
127.03967	1.3
135.11714	0.4
185.04202	0.9
203.05270	0.9
203.63135	0.4
243.08519	1.5
313.27444	0.8
347.09451	2.7
365.10669	0.9
405.13696	6.0
497.31046	3.9
519.29395	5.7
659.36066	3.8
681.34436	6.9
775.53339	1.3
937.58588	100.0
938.58453	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	943.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	12.4
68.32951	0.4
69.03426	4.6
69.07069	8.7
69.87088	1.1
69.87492	2.2
71.01361	2.3
71.04996	30.6
71.08601	0.9
73.02915	5.4
75.04485	4.1
79.05497	7.2
81.03423	2.0
81.07056	24.0
83.01352	0.8
83.04982	17.0
83.08617	5.8
85.02905	78.3
87.04475	1.3
90.39433	0.6
91.03968	1.2
91.05479	6.4
93.06570	0.3
93.07043	20.5
95.01334	19.6
95.04970	1.7
95.08609	55.0
97.02894	9.7
97.06528	0.7
97.10173	2.2
98.21411	0.7
99.00826	1.7
99.04475	1.2
99.08099	1.2
101.02366	1.4
101.05991	0.8
103.03960	2.9
105.07033	20.7
107.08597	34.3
109.02879	2.4
109.06503	1.2
109.10158	42.5
111.04440	12.3
111.08081	10.2
111.11732	1.6
113.02351	3.8
113.05981	0.8
113.09616	0.7
117.07005	1.7
119.08584	28.9
121.10143	29.3
123.00787	1.4
123.08080	1.0
123.11712	15.5
125.09630	1.8
127.03927	6.2
129.05486	20.9
129.06961	0.9
130.54973	0.6
131.03419	1.9
131.08562	6.7
133.10133	28.5
135.11693	22.3
137.09590	1.2
137.13251	3.7
139.11183	4.7
141.01828	59.3
141.89301	0.6
142.02190	0.7
143.08575	2.3
144.09340	1.0
145.04950	7.6
145.10118	11.4
147.06523	10.0
147.11687	21.9
149.13261	19.5
151.11198	2.5
151.14836	1.0
157.10135	3.1
159.02904	15.0
159.06482	0.7
159.11693	14.8
161.13255	20.0
163.06041	3.2
163.11182	1.7
163.14819	19.5
165.01857	0.6
165.07559	0.5
165.12741	3.0
165.16437	0.6
167.14284	1.1
169.10193	0.8
171.11729	3.1
173.13252	11.1
175.06129	0.6
175.14833	17.5
177.04033	2.6
177.12767	1.3
177.16388	16.3
179.17882	1.6
183.02884	0.6
183.11685	0.6
185.13304	3.0
187.14835	10.4
189.16383	16.8
189.18089	0.8
191.14349	1.0
191.17972	6.9
193.15887	4.5
195.17432	5.3
197.13315	0.7
199.14845	3.1
201.16380	15.0
203.17960	29.6
205.15857	5.6
205.19594	2.7
207.17456	8.0
209.19066	0.7
211.14801	0.7
213.16377	3.0
214.17082	0.6
215.17958	13.9
217.15912	1.6
217.19527	15.7
219.17458	10.7
219.21048	0.9
221.19022	10.0
225.16405	1.2
225.61226	0.5
227.17931	5.7
229.19522	16.3
231.08553	0.6
231.17474	2.2
231.21056	1.8
233.18999	7.8
235.20590	2.0
237.07684	0.5
241.19446	3.6
243.21141	5.4
245.19003	4.0
245.22646	0.8
247.20576	11.0
253.19577	0.8
255.08685	1.9
255.21095	3.3
257.22543	4.9
259.20499	1.7
261.22171	2.9
267.21078	0.7
269.06714	1.0
269.22635	3.5
271.24225	2.3
273.09695	1.8
273.22192	1.8
275.23746	2.7
281.22623	1.4
283.24237	2.2
285.22116	1.2
287.07675	3.4
287.23737	1.7
295.24176	1.1
297.25766	1.9
299.23795	0.6
301.25385	1.7
305.08670	8.5
309.11902	2.5
309.25806	0.6
311.27359	1.2
313.25195	1.7
315.26837	3.8
321.08224	1.4
323.09766	2.5
325.28818	0.7
327.26727	0.8
329.28433	2.2
351.17908	1.1
351.30511	1.5
365.19592	1.0
365.32010	4.6
369.31525	1.4
379.21353	1.3
381.31613	0.9
383.33035	6.2
393.34750	0.7
395.36905	0.6
405.35123	14.0
411.36166	2.3
423.36221	89.2
424.36557	1.6
441.37280	100.0
442.37494	1.5
551.40845	1.0
581.38342	7.5
599.39429	21.3
617.39954	1.5
648.56897	0.6
650.00177	0.7
943.47693	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.553
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.8
67.05508	69.9
68.24080	0.6
69.03429	4.1
69.06740	0.7
69.07076	12.9
69.73777	2.8
71.05003	4.2
73.02901	2.6
77.03928	1.2
79.05495	48.6
81.03421	88.4
81.07059	72.7
83.04984	7.2
83.08154	1.4
83.08624	24.8
85.02909	9.4
85.06525	2.9
87.04426	0.9
91.03962	5.8
91.05482	36.8
93.07048	54.1
95.04367	1.4
95.04975	30.1
95.08610	50.0
97.02898	8.0
97.06517	5.0
97.10168	9.5
98.20781	1.4
99.04445	0.8
99.08078	1.7
105.04488	1.0
105.07036	30.5
107.04947	7.2
107.08601	31.9
109.02862	1.0
109.06541	6.0
109.10160	21.9
111.04438	2.6
111.08085	7.3
115.05431	2.2
117.07022	9.0
119.08588	25.6
121.06510	6.2
121.10152	26.9
121.11030	1.4
121.17255	0.9
123.04422	2.8
123.08084	4.1
123.11718	7.3
125.09618	6.2
127.03896	2.0
128.06236	0.8
129.07022	11.2
131.08575	22.9
133.06508	4.2
133.10138	18.3
135.08121	3.4
135.11696	15.2
137.09607	4.0
137.13237	2.1
142.07793	2.2
143.08549	1.5
145.04973	2.9
145.10120	11.3
147.04398	2.7
147.08028	5.1
147.11694	16.9
149.09660	5.8
149.13277	10.1
151.11182	1.5
153.09102	1.0
153.12709	0.7
155.08569	1.8
157.10136	12.6
159.08118	0.9
159.11693	9.7
161.13272	7.1
163.06007	5.3
163.11185	3.1
163.14864	4.0
165.12761	2.5
169.10092	0.9
171.10300	0.8
171.11697	3.4
173.09630	1.1
173.13260	7.5
175.11203	8.6
175.14757	3.9
177.12747	1.7
177.16435	1.6
183.11765	1.5
185.13258	1.7
187.11264	1.3
187.14850	4.4
189.05499	1.1
189.11311	3.3
189.12717	0.9
191.14297	1.2
193.10399	1.2
193.12256	24.6
197.13240	1.6
199.14868	1.6
201.16339	2.1
205.12204	1.0
207.13748	1.1
211.13280	1.9
223.13248	0.8
227.12785	9.0
231.14001	0.8
233.22678	0.8
235.13307	3.3
241.06929	0.9
243.21077	5.3
247.17223	0.8
249.14874	2.2
259.13345	2.1
259.20566	1.7
261.22144	25.2
267.15927	100.0
273.14929	1.6
279.23227	1.7
285.16983	1.0
285.22134	1.1
287.19855	0.9
296.23251	0.8
299.23746	1.0
301.14352	2.6
301.25256	8.9
303.23309	1.4
309.17123	4.8
317.21466	0.8
317.24802	2.7
319.15158	1.1
333.16885	1.6
333.24384	1.4
335.25812	99.2
336.26404	1.0
349.23557	1.0
351.17941	0.9
357.27905	0.8
359.25827	1.8
403.24820	1.9
417.26401	1.0
421.25732	3.0
435.27432	2.5
435.32632	4.4
449.29050	1.3
453.33777	10.3
453.39691	1.4
461.29086	1.1
471.34836	5.1
475.30829	1.1
491.35196	1.1
497.30597	0.7
509.36218	2.7
527.37341	79.5
528.37622	1.9
545.38397	88.4
546.39130	1.4
559.39667	2.6
569.38354	13.6
577.41156	1.7
587.39539	3.3
611.39624	3.8
623.39740	3.6
635.39203	5.2
653.40393	4.6
671.41412	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	936.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03949	2.9
67.05510	73.0
69.03106	1.8
69.03432	13.6
69.07075	38.0
71.01356	3.1
71.05005	8.5
71.53131	2.2
73.02912	5.2
73.88164	1.5
75.79214	1.7
79.03195	1.4
79.05497	68.0
80.70636	1.3
81.03425	77.9
81.07061	90.7
83.04985	28.7
83.08152	2.9
83.08627	41.4
85.02908	42.6
85.06536	4.5
91.03983	7.7
91.05489	72.2
93.07051	62.7
95.04974	38.6
95.08615	42.1
97.02889	15.6
97.06535	21.5
97.10172	17.4
99.04450	2.9
99.08094	4.3
105.04488	2.3
105.07040	63.1
105.75066	1.9
107.04954	16.2
107.08599	46.8
109.02873	4.9
109.06527	11.4
109.10159	19.1
111.04435	5.3
111.08080	16.8
113.06027	4.1
115.05465	4.8
116.06234	1.9
117.07019	20.2
119.08586	45.3
121.06494	6.2
121.10149	26.3
123.08072	7.2
123.11681	4.5
125.09634	14.6
127.03909	5.2
128.06215	2.7
129.05505	2.3
129.07007	18.8
131.08583	29.5
133.06491	5.5
133.10143	34.5
135.08086	4.6
135.11681	14.7
137.09610	5.8
141.06992	3.4
142.07797	4.3
143.08556	7.2
145.04955	3.6
145.10146	18.7
147.08035	6.6
147.11696	30.7
149.09612	22.4
149.13289	8.7
151.11217	3.7
154.57712	1.6
155.08580	2.5
156.49033	1.6
157.10147	24.5
159.07764	1.5
159.11694	17.4
161.13266	6.0
163.06076	1.8
163.11238	10.8
165.12773	5.2
169.10127	3.8
171.11656	5.1
173.04477	5.0
173.09598	1.9
173.11902	2.7
173.13289	5.7
175.11211	21.8
177.12798	3.7
179.14311	2.5
183.11708	4.8
185.13216	2.0
187.11203	3.5
189.11220	4.5
189.12788	1.7
193.12254	50.6
195.13719	2.9
197.13252	2.3
211.13295	70.6
212.50436	1.5
213.12791	1.8
227.12781	26.4
229.14369	4.7
229.19437	3.0
239.18010	3.9
249.14948	3.1
255.15891	7.9
257.16541	1.4
257.18890	10.1
263.13754	1.5
267.15952	47.8
269.17532	24.0
275.20068	49.4
276.20428	2.0
285.16974	83.2
293.17532	2.1
293.20978	4.4
331.22696	4.4
349.19800	3.0
349.23764	47.2
367.24588	2.6
413.21649	1.9
419.24347	2.2
421.25806	2.3
437.25323	2.2
439.27145	8.0
443.27802	5.2
447.27493	14.7
455.26462	3.6
461.29031	42.6
463.30408	2.6
465.28595	18.5
467.31549	1.8
479.30066	92.6
501.32553	2.1
513.35724	2.1
519.33252	3.1
523.34296	2.3
531.36682	2.8
541.35345	43.2
559.36353	100.0
560.36560	2.7
577.37427	20.3
587.32471	1.7
599.30371	3.5
605.33777	1.9
623.34045	5.1
667.38947	2.1
703.40393	2.7
721.41010	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	933.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.6
67.05506	11.9
67.53204	0.3
68.58707	0.3
69.03077	0.5
69.03434	7.7
69.07072	4.8
70.78300	0.3
71.01350	1.0
71.04984	1.1
71.08624	0.3
71.28139	0.3
73.02920	7.5
74.74905	0.3
77.15393	0.3
79.05494	7.8
81.03416	3.6
81.07059	13.1
83.04983	1.1
83.08622	3.3
85.02909	19.0
85.06532	0.6
87.04469	0.7
91.03960	10.7
91.05482	8.3
93.06476	0.5
93.07047	9.3
93.07632	0.6
95.04974	1.2
95.08609	11.1
97.02895	16.2
97.06519	1.3
97.10161	2.0
98.21533	0.8
99.04443	1.4
101.02391	2.1
103.03935	0.4
105.07035	6.9
107.04966	0.6
107.08591	6.2
107.09300	0.4
109.02885	1.7
109.06557	0.8
109.10157	5.2
111.04453	0.3
111.08076	0.6
111.11723	0.4
115.03925	0.7
115.05453	0.7
117.07024	3.7
119.08587	6.6
121.06535	0.3
121.10155	4.1
123.08049	0.5
123.11716	1.7
125.09641	0.6
127.03925	4.3
128.06229	1.4
129.05511	0.5
129.07013	5.0
130.07809	0.4
131.08571	7.2
133.06532	0.3
133.10138	5.3
135.07977	0.3
135.11707	2.6
137.13251	0.8
141.06982	3.1
142.07809	1.3
143.08571	7.0
143.09679	0.5
144.09300	0.6
145.04973	3.3
145.10123	6.9
147.08044	0.3
147.11702	3.2
149.09628	0.7
149.13274	1.1
151.11197	0.3
153.07018	0.8
154.07794	0.4
155.08556	6.2
156.09384	0.8
157.10129	6.6
158.10957	0.4
159.08209	0.4
159.11697	4.5
161.09657	0.5
161.13249	1.8
163.06116	1.3
163.14914	0.6
165.07036	0.8
166.07768	0.7
167.08568	2.8
168.09346	1.0
169.10127	7.9
170.10876	0.4
171.11697	6.3
172.12404	0.3
173.13275	3.4
175.14841	1.0
177.12807	0.4
177.16406	0.4
179.08554	1.7
180.09251	0.5
181.10124	4.5
182.10846	0.4
183.11684	7.9
183.13222	0.5
184.12425	0.6
185.09689	0.3
185.13258	5.0
187.14806	2.0
189.16420	0.7
191.08600	0.5
193.10129	2.1
194.10893	0.7
195.11699	5.6
196.12450	0.5
197.13264	7.0
199.13222	0.6
199.14833	3.2
201.12749	0.5
201.16443	1.1
205.10229	0.4
207.11710	2.2
208.12350	0.4
209.13287	4.3
211.11211	0.4
211.14832	4.3
213.12955	0.4
213.16458	2.5
215.18016	0.4
219.11794	0.7
220.12524	0.4
221.13260	2.3
222.13939	0.4
223.11362	0.4
223.14847	3.7
225.12907	0.4
225.16441	2.6
227.18011	1.6
229.19395	0.3
233.13324	1.0
235.14886	1.9
237.16327	1.8
239.17906	1.5
241.19730	0.5
247.14835	0.8
248.15462	0.3
249.16443	1.4
251.18016	1.5
253.16066	0.3
253.19534	0.8
259.14905	0.5
261.16425	0.4
261.22174	0.5
263.17966	0.8
265.19577	0.8
267.21152	0.9
268.49118	0.3
277.19547	0.6
278.24591	0.3
279.21075	0.7
281.22943	0.4
283.20636	0.5
289.19073	0.3
291.21194	0.6
292.89453	0.3
293.18805	0.5
293.22507	0.3
309.22079	0.4
311.20349	0.4
311.23700	0.5
313.27463	0.8
314.27802	0.6
319.20535	0.4
321.22202	0.7
323.23816	0.7
325.21634	0.5
335.26163	0.7
336.26215	0.6
337.25330	0.7
339.23151	0.6
339.27054	0.4
347.23502	0.4
349.25165	0.6
351.26688	0.7
355.26404	0.4
363.27100	0.5
365.28625	0.9
367.26282	0.4
377.28448	0.6
379.25943	0.5
381.27963	0.3
389.28522	0.3
391.30182	0.4
393.31702	0.4
403.30365	0.3
421.30966	0.6
429.31482	0.5
433.30612	0.4
447.32578	0.8
461.34039	0.5
473.32648	0.4
487.35010	0.4
499.39694	0.4
501.35770	0.7
513.35956	0.6
515.37848	0.5
517.40533	4.2
521.36731	0.5
523.37164	0.4
525.36322	0.4
527.37109	0.6
535.41547	2.5
539.36969	1.3
540.38104	0.6
541.39172	1.1
573.42682	0.6
574.49591	0.4
591.44061	5.0
607.43286	2.9
609.45142	100.0
610.45648	2.2
611.46271	0.5
621.44879	1.9
631.43176	0.4
633.45135	1.1
643.42664	0.3
645.45221	0.5
651.46051	1.7
663.45959	0.4
675.45941	0.6
693.47491	0.4
699.45673	1.3
717.47418	1.8
735.48541	2.3
753.49390	3.4
771.50421	31.2
772.50824	0.6
795.51471	0.3
897.53424	0.4
933.37622	0.5
933.55792	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	932.6308
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	1.1
66.68230	0.6
67.05508	29.9
69.03417	1.7
69.06734	0.6
69.07072	9.2
71.04969	1.5
71.08635	17.9
73.02631	0.4
73.02921	4.6
73.88591	0.5
75.04473	0.8
79.05499	19.5
79.05967	1.2
81.03406	1.9
81.07059	38.8
83.04976	1.0
83.08624	9.9
85.02434	1.1
85.02908	15.0
85.06543	1.3
85.09720	0.8
85.10188	10.0
89.06053	1.0
91.03960	8.8
91.05482	9.2
93.07045	22.8
95.04948	1.3
95.08611	32.5
97.02898	8.5
97.06509	1.0
97.10169	4.3
99.04440	0.8
99.08086	1.3
103.07597	1.2
105.07039	6.9
107.08598	15.5
109.02897	0.6
109.06543	0.6
109.10161	15.6
111.08083	1.0
111.11752	0.6
113.09645	0.6
115.03940	0.6
117.07021	3.4
119.08584	5.6
121.10149	11.7
123.11710	8.3
125.09657	0.7
127.03929	4.5
131.08563	6.9
133.10127	5.6
135.11697	10.2
137.09631	0.8
137.13248	2.7
145.04950	5.0
145.10153	5.0
147.11745	3.8
149.13266	6.4
151.14845	0.8
159.11697	5.0
161.13254	4.1
163.06010	8.2
163.14806	3.4
173.13264	5.5
173.79073	0.5
175.14853	1.5
177.16412	1.7
187.14807	2.4
220.07906	0.6
233.22708	1.2
239.23755	2.7
243.21080	10.9
257.24811	1.6
261.22144	38.4
277.21609	0.8
279.23187	1.0
281.83575	0.5
313.27371	100.0
314.27615	1.3
317.24762	5.3
323.02997	0.6
331.28397	0.6
335.25806	79.8
336.26138	1.2
339.07086	0.5
372.06281	0.6
394.26266	0.6
404.55161	0.6
499.44809	0.8
526.64581	0.6
573.48779	44.8
574.49207	1.3
591.49957	12.5
666.43250	0.7
896.75946	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5219
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	1.8
65.60166	0.6
67.05508	51.2
69.03445	4.0
69.07070	18.2
71.01383	0.9
71.05005	3.4
73.02917	1.5
73.06546	0.8
77.03913	1.3
79.05495	59.9
81.03422	11.8
81.07061	54.1
83.04988	10.7
83.08623	11.9
85.02898	6.1
85.06555	3.9
91.03947	2.8
91.05484	53.2
93.07047	63.6
95.04977	14.3
95.08612	29.3
97.02882	4.9
97.06535	15.5
97.10165	5.6
98.21552	1.0
99.04452	1.9
99.08092	1.5
101.06077	0.8
103.05486	1.2
105.04533	2.0
105.07037	43.5
107.04960	9.6
107.08601	28.9
108.08891	0.6
109.02950	1.5
109.06535	6.3
109.10156	8.1
111.08083	2.5
113.09672	0.8
115.05451	1.2
117.07024	14.6
119.04967	0.6
119.08586	29.0
121.06510	4.9
121.10143	13.9
123.04440	0.7
123.08073	5.4
123.11693	2.4
125.09635	5.9
126.10798	0.7
126.61385	0.6
127.03918	2.7
127.07563	1.4
128.06216	2.8
129.05533	0.8
129.07010	13.3
131.07600	0.7
131.08575	13.1
133.06496	1.9
133.10141	19.0
135.08075	3.2
135.11700	10.3
137.09619	2.7
139.11133	0.7
141.06984	1.9
141.09158	0.7
143.08572	8.3
145.04994	1.2
145.06468	1.0
145.10133	18.2
147.08041	2.7
147.11694	32.2
149.09627	10.1
149.13249	5.2
151.11174	2.5
155.08516	1.7
156.09311	0.8
157.10158	2.5
159.11690	11.0
161.09613	4.3
161.13268	11.8
163.06018	0.9
163.11174	8.1
165.12749	1.3
169.10162	2.6
171.11688	17.7
173.04471	2.5
173.09607	1.2
173.11868	1.1
173.13214	3.5
175.11241	1.1
177.12767	2.6
179.14325	1.8
183.11716	2.3
185.09636	0.8
185.13315	1.2
187.11259	0.9
187.14931	1.0
189.11182	1.1
189.12764	8.2
195.13800	1.7
197.13271	1.4
201.12794	0.8
207.13808	18.7
215.18037	0.8
217.52026	0.6
225.14857	0.8
227.12778	12.6
229.14406	0.7
229.19511	1.8
235.16966	0.8
239.17993	2.2
247.20555	1.0
253.14438	2.6
253.18076	0.8
255.15878	3.9
257.19055	6.8
259.20786	0.8
261.22070	1.0
263.16479	1.1
267.15997	1.7
269.17468	9.9
273.18140	0.9
275.20078	27.9
279.15973	1.4
281.17480	57.1
283.15311	3.2
291.19678	1.4
293.21191	1.9
313.27444	1.3
331.22656	3.4
335.25949	0.8
349.23721	17.8
365.23593	0.9
367.24774	1.9
377.23337	1.0
413.22122	1.1
419.24408	0.8
435.27536	6.9
451.26904	6.0
457.29626	1.5
459.30899	2.5
461.28967	22.3
475.30585	100.0
476.30692	1.3
497.32956	0.7
515.33862	1.0
527.37109	1.7
537.35657	5.2
555.36859	69.3
556.37109	1.6
573.38214	11.8
595.31055	1.8
619.34741	4.5
663.38257	0.7
681.39642	0.8
699.40747	1.3
717.42401	1.5
923.50891	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5211
Annotation	Unknow
Peak:m/z	Relative Intensity
64.91678	0.8
65.03934	4.5
67.05511	71.9
69.03435	6.9
69.07072	20.8
69.32332	3.5
69.32756	3.6
71.05005	4.5
71.08633	1.4
73.02906	3.3
73.06540	1.5
77.03930	2.2
79.05497	98.4
81.03423	15.8
81.07061	78.8
83.04985	15.7
83.08621	12.9
85.02905	10.4
85.06553	5.0
87.04487	1.2
91.03979	4.5
91.05484	88.6
93.07050	100.0
94.07387	1.2
95.04974	22.9
95.08612	43.3
97.02887	7.5
97.06537	12.8
97.10155	6.0
99.04473	2.2
99.08070	3.2
101.02335	1.0
103.03986	0.9
103.05450	2.4
105.04517	3.9
105.07035	77.5
106.07345	1.0
107.04965	10.9
107.08597	37.5
109.02869	1.2
109.06525	8.2
109.10160	12.4
111.04449	0.9
111.08105	4.5
113.06015	1.2
113.09631	1.6
113.48422	0.8
115.05415	3.8
117.07019	25.5
119.08587	53.3
121.06503	4.3
121.10146	17.6
123.08075	9.0
123.11684	2.9
125.09625	2.2
127.03922	4.2
127.07568	1.4
128.06213	3.7
129.05522	1.8
129.07016	22.3
131.08571	21.3
132.36960	0.9
133.06488	1.8
133.10143	34.3
135.08047	3.5
135.11699	10.5
137.09624	2.7
141.06993	2.3
141.09163	1.1
143.08577	15.1
144.09351	1.1
145.04964	2.1
145.06494	1.9
145.09039	1.9
145.10124	23.9
147.08018	4.1
147.11696	51.1
149.09628	8.3
149.13258	10.9
151.11151	2.2
155.08554	2.3
156.09489	1.1
157.10152	5.8
159.11697	17.6
159.13013	1.2
161.09630	5.8
161.13269	24.6
163.06012	1.7
163.11156	5.4
163.14798	1.0
165.12692	1.2
169.10114	3.9
171.11693	34.9
173.13252	9.1
175.14873	5.9
177.12698	4.2
179.14330	2.5
181.10181	2.1
183.11688	2.1
185.13219	4.9
187.11162	2.5
187.14848	2.6
189.12721	11.2
189.16290	1.2
191.14264	1.2
195.11858	1.4
195.13803	3.3
197.13164	1.8
199.14851	3.1
207.13811	28.5
209.13243	1.4
211.14877	1.2
213.16371	1.2
217.15907	1.1
221.13339	0.8
225.14781	1.8
227.12758	2.7
231.21146	2.4
239.17953	2.1
241.19499	10.7
243.20966	1.0
247.20657	1.3
253.14304	1.8
257.19086	8.4
259.20599	28.9
261.22141	2.2
269.17468	15.7
275.20102	15.1
279.15903	12.1
281.17487	77.8
282.17767	1.0
293.21170	2.1
297.16953	1.9
313.27234	3.3
315.23108	2.2
331.22632	2.6
333.24219	18.0
335.25848	4.2
343.33218	1.0
349.23727	10.6
435.27209	2.7
447.32446	4.6
451.26727	2.7
457.29578	2.0
461.29050	2.1
465.33591	3.4
473.28256	0.9
475.30585	79.3
476.30862	1.7
483.34323	1.2
487.30273	2.1
521.36090	2.6
529.39069	1.3
539.37311	47.4
540.37537	1.4
555.36871	18.6
557.38507	20.4
573.37329	3.2
573.48389	1.8
610.41583	1.0
739.65686	1.1
914.54980	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5583
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.6
67.05511	45.4
69.03446	1.9
69.07073	7.8
70.92456	0.5
70.92765	0.6
71.04997	13.4
73.02930	2.5
73.06560	0.5
79.05499	24.6
81.03426	1.4
81.07062	64.3
83.04990	2.8
83.08624	6.2
85.02908	7.8
85.06552	6.0
87.04470	0.5
91.03963	4.1
91.05486	21.2
93.07050	27.9
95.04985	1.9
95.08614	19.6
97.02894	4.3
97.06533	3.4
97.10172	2.2
99.04498	0.6
99.08130	0.7
105.04526	0.7
105.07037	12.2
107.08601	16.2
109.02885	0.6
109.06526	1.7
109.10166	9.0
111.08092	1.3
113.09644	0.4
115.03916	0.4
115.05576	0.4
116.88074	0.4
117.07029	4.1
119.08582	6.9
121.06506	0.4
121.10151	10.9
123.08076	0.5
123.11722	10.2
123.12583	0.7
125.09633	1.0
127.03927	1.5
129.07001	0.5
131.08583	6.7
133.10141	13.3
135.11710	7.3
137.09564	0.4
143.08626	0.6
145.04985	2.3
145.10141	3.5
147.11694	3.9
149.09677	0.6
149.13260	5.1
151.11191	5.1
151.78485	0.4
153.12775	0.5
157.10184	0.5
159.11719	5.1
161.13272	2.5
163.05992	1.9
163.14871	0.8
168.06718	0.4
169.12303	1.1
171.11711	0.7
173.11977	0.4
173.13252	2.1
175.14841	1.4
177.12772	1.3
183.13884	1.6
185.13321	0.9
187.13339	3.1
187.14798	0.8
195.11679	0.5
195.13855	1.0
199.14851	0.5
224.53127	0.4
227.16289	0.5
243.16106	0.8
251.16341	0.5
257.17429	1.2
259.20758	0.6
261.22086	2.4
269.17505	5.4
299.23672	0.5
301.20126	9.4
317.24869	0.7
335.25812	19.5
363.25165	0.5
402.66867	0.6
411.32684	0.8
445.24203	1.0
485.36316	2.3
503.37344	63.5
504.37839	1.6
511.38165	0.8
517.38727	1.5
529.38928	16.7
541.18500	0.4
547.39966	1.2
561.41534	100.0
562.41675	3.2
673.43878	0.9
705.45563	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	920.5579
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	2.3
67.05508	59.3
69.03436	3.7
69.07069	10.3
69.37405	3.5
71.04996	19.6
73.02930	2.7
79.05499	29.4
81.03430	2.5
81.07060	76.7
83.04990	3.4
83.08615	8.2
85.02905	10.0
85.06543	7.2
87.04507	0.6
87.15357	0.5
91.03965	5.2
91.05486	26.7
93.07047	35.4
95.04993	2.7
95.08611	25.2
97.02879	5.1
97.06519	4.5
97.10165	2.8
97.43464	0.5
98.75040	0.5
99.04455	0.9
99.08134	0.9
105.07034	13.3
105.07681	1.0
107.08604	19.5
109.02884	0.8
109.06541	1.7
109.10159	12.0
109.48212	0.5
111.08076	3.4
115.03924	0.9
115.05447	0.7
117.07024	4.8
119.08584	8.3
121.10147	14.9
123.08018	0.7
123.11714	11.8
123.12591	0.9
125.09634	1.4
127.03926	3.3
129.05508	0.7
129.07039	1.1
131.08578	8.7
133.10141	17.8
135.08099	0.8
135.11703	9.8
137.09575	0.6
139.11214	0.9
143.08522	0.8
145.04968	2.6
145.10126	4.9
147.11661	4.1
149.09662	1.0
149.13280	6.4
151.11201	6.0
153.12755	1.1
155.08685	0.6
157.10126	0.9
159.11659	6.7
161.13269	2.8
163.05980	3.5
163.14848	0.7
165.12895	0.7
169.12296	1.0
171.11745	1.2
173.11932	0.8
173.13211	2.9
175.14832	1.0
177.12769	1.9
177.16267	0.6
179.14447	0.6
183.13885	2.5
185.13307	0.7
187.13309	3.1
187.14912	1.3
189.16449	0.6
195.13815	1.3
199.14915	0.9
201.14818	0.7
205.92618	0.7
225.14687	0.6
227.16458	2.8
229.14452	2.0
243.21222	0.7
253.18024	0.8
257.17548	2.0
259.20636	1.0
261.21997	2.8
269.17432	4.7
299.24063	0.8
301.20074	17.9
317.24860	1.0
333.24594	0.9
335.25824	17.3
359.26184	0.6
393.31531	0.9
411.32687	0.8
429.33997	0.9
437.34244	2.4
445.23981	0.7
455.34897	1.0
485.36182	3.1
503.37347	73.8
504.38177	1.1
511.37958	3.0
517.39264	2.5
529.38904	31.1
547.40002	1.7
561.41528	100.0
562.41992	2.7
673.43127	1.1
705.45575	1.2
920.48871	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	0.7
67.05508	12.4
69.03431	2.7
69.07072	3.7
70.97797	0.9
71.04990	2.6
73.02914	1.0
77.03866	0.7
79.05495	15.5
81.03419	39.1
81.07059	14.6
81.13848	0.4
83.04981	3.2
83.08621	12.6
85.02908	2.4
85.06519	0.9
91.03925	1.3
91.05482	12.3
93.06497	0.6
93.07045	11.6
95.04976	16.7
95.08606	5.8
97.02901	1.9
97.06495	1.3
97.09558	0.7
97.10173	12.7
99.08047	0.4
103.05422	0.5
105.07033	9.5
107.04960	12.6
107.08599	8.5
109.02871	0.7
109.06522	6.9
109.10151	4.1
111.04435	1.5
111.08067	3.7
113.05977	0.7
115.03922	0.4
115.05448	0.7
117.07018	3.8
119.04896	1.0
119.08587	8.8
121.05669	0.5
121.06506	8.5
121.09462	0.4
121.10145	5.2
123.04449	1.9
123.08068	3.6
123.11639	1.0
125.05943	0.5
125.09635	12.0
127.03892	0.7
128.06212	0.7
129.07005	6.8
131.04878	1.4
131.08578	8.3
133.06499	2.8
133.10127	3.7
135.04402	0.3
135.08066	4.3
135.11673	1.6
137.05951	0.7
137.09596	1.1
139.11211	0.6
141.06934	0.7
142.07747	0.9
143.08595	2.5
143.10692	0.4
145.06483	5.6
145.10132	4.5
147.04362	1.4
147.08043	3.6
147.10640	0.5
147.11708	5.9
149.05978	0.8
149.09610	4.4
149.13231	0.5
149.91620	0.4
151.11201	0.5
153.06995	0.5
153.09070	2.4
153.12764	1.0
154.07697	0.4
155.08517	1.4
157.06461	1.2
157.10143	7.0
159.08020	1.5
159.11705	1.7
161.06000	1.0
161.09572	1.9
161.13176	0.6
163.06010	0.6
163.07474	0.4
163.11182	3.3
165.09071	0.4
165.12715	1.3
167.08530	0.8
167.10699	1.2
169.06462	0.8
169.10114	1.4
171.07996	1.6
171.10159	1.3
171.11688	1.8
173.06053	0.5
173.09599	1.8
173.13208	0.7
175.07584	0.5
175.11203	6.0
177.12772	1.0
181.10147	1.1
183.08066	0.8
183.11685	0.9
185.09612	1.2
185.13222	0.9
187.07491	0.4
187.11188	1.0
187.14880	0.7
189.09271	0.8
189.11200	6.2
189.12755	1.5
191.14301	1.2
193.12245	16.7
195.07957	0.4
195.11678	1.3
197.09737	0.7
197.13228	1.5
199.11176	1.6
199.13051	0.6
203.14343	0.4
205.10402	0.4
205.12163	1.9
205.15700	0.6
207.13789	0.6
209.09732	0.5
209.13232	0.7
209.72348	0.4
211.11267	0.7
211.13260	1.3
211.15005	0.4
213.12750	1.6
215.14333	2.4
217.12242	1.2
219.13835	2.3
223.11154	0.9
223.13269	1.4
225.12743	0.8
227.12483	1.8
227.14595	0.8
231.13774	1.1
233.15340	3.3
235.13153	1.8
237.12712	1.5
237.14806	0.5
239.14421	0.7
241.12195	0.9
241.14299	0.8
243.13826	0.6
245.15356	1.4
249.14906	1.6
251.14232	0.5
255.13841	1.6
257.15353	0.5
259.13330	1.5
261.14926	0.5
263.16568	0.4
267.15921	45.9
269.15283	0.7
271.17014	0.6
273.14749	5.9
273.16870	0.4
275.13776	0.4
275.16492	0.9
281.15247	0.5
283.16910	0.6
287.16394	0.6
289.14188	0.7
289.18210	0.6
291.16031	0.4
293.17514	1.0
299.16409	0.4
303.20602	0.4
309.17059	0.6
321.22232	0.9
325.21970	0.5
331.20758	0.5
339.23117	2.7
349.21591	4.2
357.24219	2.9
364.82651	0.4
367.22681	13.3
385.23740	21.1
403.24756	5.4
405.24411	0.4
423.25336	0.7
441.26352	9.6
459.27426	96.8
460.27457	1.8
473.29636	0.5
477.28494	100.0
478.28763	1.6
491.30051	14.6
501.28525	5.5
509.31201	5.3
513.28204	1.7
519.29388	1.2
531.29718	1.9
541.33893	0.7
543.29504	2.7
555.29443	1.2
567.29578	5.2
573.30444	0.6
585.30511	2.1
603.31879	1.3
621.32227	0.6
922.20868	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5484
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	1.4
67.05511	46.3
69.03421	3.6
69.07076	10.8
70.81362	0.7
71.01337	0.9
71.04982	2.5
71.08635	22.1
72.01463	0.8
73.02918	3.9
79.05495	16.7
80.53900	0.8
81.03429	5.6
81.07060	31.3
83.04969	3.4
83.08625	15.9
85.02910	22.4
85.06514	1.9
85.10190	13.4
85.24007	0.7
87.04475	5.2
89.06044	1.3
91.03959	5.1
91.05490	8.5
93.07051	10.3
95.04967	3.3
95.08612	24.1
97.02895	8.5
97.06517	1.7
97.10178	21.8
99.04467	0.8
103.03928	1.1
103.07553	1.3
105.07060	3.5
105.36367	0.7
107.04950	2.6
107.08602	11.6
109.02862	0.7
109.06509	0.8
109.10163	38.9
111.04450	2.2
111.08099	2.7
111.11732	0.9
113.05986	0.9
117.07043	2.4
117.36153	0.7
119.08578	6.4
121.06539	0.8
121.10194	3.7
123.08102	0.9
123.11696	3.2
124.37442	0.8
125.09641	15.6
127.03896	1.8
129.06981	1.3
131.08551	2.6
132.59818	0.8
133.10117	2.7
135.08044	1.0
135.11667	2.7
137.09618	1.7
137.13272	1.4
143.10692	3.3
145.04944	2.2
145.10129	3.0
147.11673	1.4
149.09587	1.0
153.12782	1.9
155.10674	2.5
157.10117	0.9
159.11717	0.8
160.11235	2.1
163.05983	3.1
163.11194	3.0
173.09630	1.1
173.10347	0.9
173.11751	9.4
175.66112	0.7
176.81483	0.7
181.12227	1.6
189.11250	0.9
191.10677	2.1
193.12233	1.1
199.13286	9.7
209.11729	6.3
217.14485	0.8
223.13298	0.7
226.55669	0.7
227.12804	10.0
229.14369	49.3
232.43175	0.7
239.23625	4.0
245.13945	1.1
257.13910	0.8
257.24698	1.8
258.09045	1.4
265.14511	0.8
267.15933	2.6
283.15347	6.8
297.16940	1.7
299.14987	2.4
300.15298	2.3
301.16473	35.0
313.27383	100.0
314.27643	3.4
315.27988	0.7
319.17542	1.4
335.25952	2.5
341.26804	2.6
369.36035	0.7
437.36093	6.3
455.37357	17.0
463.21658	1.0
467.37360	24.7
486.75677	1.0
489.36118	1.3
505.39120	1.5
521.38348	4.5
539.39441	22.8
557.39709	5.8
652.45398	0.9
701.44257	1.1
916.56360	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5267
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	2.0
67.05508	39.8
69.03418	1.5
69.07069	9.2
70.44733	0.7
70.79656	1.7
71.04987	2.5
73.02924	1.3
73.06551	0.7
74.34743	0.6
75.53284	0.7
79.05496	54.3
81.03426	6.4
81.07061	40.6
83.04987	7.3
83.08616	5.7
85.02909	5.5
85.06544	3.0
86.94953	0.7
91.03956	2.2
91.04899	1.7
91.05485	53.5
93.07050	60.5
95.04971	13.8
95.08616	26.9
95.09239	1.1
95.36038	0.7
97.02901	2.4
97.06541	4.5
97.10175	3.1
99.08109	1.2
103.05465	1.7
105.04517	2.4
105.07037	52.1
107.04945	6.0
107.08601	21.7
107.09207	0.5
109.02872	0.7
109.06532	4.9
109.10153	9.4
111.08086	1.1
111.50100	0.8
113.06100	0.7
115.05447	1.9
117.07023	13.1
117.07861	1.1
119.08586	38.6
121.06520	2.9
121.10149	12.2
123.08089	5.4
123.11725	2.2
125.09638	1.7
127.03929	0.9
127.07573	1.2
128.06232	2.2
129.07008	16.5
129.07916	1.4
130.07689	0.9
131.08575	15.2
133.10136	27.5
135.08061	1.6
135.11700	11.2
137.09644	1.9
141.07011	2.3
141.83676	0.8
143.08577	11.6
145.06465	0.9
145.10127	18.9
147.08075	2.3
147.11699	45.0
148.12044	0.8
149.09647	1.7
149.13269	6.9
151.11183	0.8
155.08540	1.4
156.09291	0.8
157.10149	7.0
159.08066	0.8
159.11697	13.7
161.09639	2.7
161.13263	23.4
163.11227	0.9
163.14836	2.0
169.10127	3.9
171.11699	23.8
173.13263	8.5
175.11237	1.5
175.14830	9.4
177.12831	1.6
179.14355	1.1
181.10092	1.2
183.11778	2.1
185.13243	6.7
187.11211	1.0
187.14853	2.6
189.12755	6.0
189.16437	0.7
195.11662	1.1
195.13724	1.0
197.13313	1.6
199.14793	4.4
201.05510	0.7
201.16389	1.3
203.14310	1.0
207.13802	15.8
209.13318	1.0
211.14828	1.5
213.16397	2.1
215.18042	0.9
217.16060	0.8
227.17903	0.7
231.21112	3.4
241.14268	1.0
241.19516	23.7
243.21165	1.2
255.17476	0.8
257.19089	3.3
259.20590	51.7
261.22134	2.5
271.20856	0.8
275.20068	1.3
277.21655	1.1
279.15942	16.4
281.17490	61.7
283.18958	1.1
297.17065	2.2
297.21945	0.9
315.23141	4.9
321.22025	1.0
331.22827	1.1
333.24261	38.2
429.31519	2.6
437.34375	1.4
447.32602	9.0
465.33685	6.5
483.34906	4.3
501.36279	1.4
521.36157	5.9
527.37543	1.2
529.38770	3.2
539.37354	100.0
540.37646	2.5
557.38416	34.9
558.39081	1.2
647.39276	1.2
659.32050	0.8
665.40570	1.6
683.41876	1.1
701.42401	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	915.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
64.52229	1.0
65.03925	1.3
68.99790	9.8
71.53159	1.0
81.03410	5.0
85.02921	1.1
90.93578	1.2
91.05521	1.9
95.04986	2.2
105.03381	1.6
107.04922	1.2
109.02870	10.4
111.00804	11.6
115.86987	1.1
116.98637	1.3
119.04984	2.7
121.02854	2.0
123.04430	18.2
127.03917	88.3
133.02859	5.7
135.04424	3.6
139.03902	100.0
147.04408	12.2
149.02316	5.0
151.03905	56.0
151.05145	2.2
153.01831	2.3
153.05502	2.6
155.03375	13.4
157.06516	2.2
159.04451	2.0
161.05991	2.9
163.03928	10.6
163.66083	1.1
165.01875	1.7
165.05466	2.3
167.03430	2.4
169.04974	2.9
171.04410	2.0
173.02365	1.3
175.03912	16.6
175.05313	1.6
177.05452	8.5
179.03401	67.6
181.04967	3.4
183.04388	1.3
185.05956	3.2
187.03993	1.3
189.05461	7.0
191.03433	7.9
193.04964	4.1
197.05988	2.3
199.03912	6.5
201.05458	5.1
203.03389	27.5
205.04973	2.5
213.05464	7.1
215.03395	1.7
217.05017	9.4
219.06487	1.7
221.04449	1.6
223.02371	3.0
225.05501	1.8
227.03447	2.5
229.04945	7.0
231.06522	2.8
233.04448	5.4
235.02275	1.1
237.05478	1.3
241.04918	6.0
243.06432	1.2
245.04462	60.7
247.06029	2.6
253.05035	1.5
257.04462	23.3
258.05057	1.5
259.06027	3.9
263.05508	38.5
269.04434	6.3
271.05939	4.7
275.05478	18.2
277.07016	4.5
279.03494	1.1
281.04333	2.7
285.03894	1.9
287.05490	70.0
288.05673	1.6
289.07095	3.7
295.06131	2.5
297.04007	2.1
299.05463	19.9
299.08536	1.7
301.06866	1.7
305.06528	32.5
307.08237	13.8
311.05484	3.7
317.06540	22.2
323.05460	1.8
325.07178	1.2
329.06546	4.3
347.07605	1.4
349.06958	1.4
351.05151	1.8
359.05405	1.4
377.06674	1.4
393.05905	4.9
395.07599	1.8
399.06946	2.2
405.06006	5.8
407.07660	2.5
413.08765	4.0
417.05908	1.3
423.07068	14.9
425.08658	19.7
431.09424	1.4
435.07010	4.0
437.08984	2.4
441.08215	13.4
443.09747	29.7
447.06934	2.1
453.08142	3.3
455.09833	2.3
465.08282	6.0
467.09607	4.0
483.09320	4.0
485.10788	4.1
543.09241	2.3
561.10120	4.4
567.11285	3.0
573.09894	2.8
591.11023	1.6
603.10822	1.9
609.12689	2.3
611.13928	4.0
729.14075	3.8
747.15387	2.4
943.67291	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.198
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.6
68.99789	11.6
69.22157	0.6
71.09048	1.1
72.59373	0.6
76.54248	0.6
77.03952	0.8
81.03418	4.6
81.07056	0.6
82.95063	0.6
83.04963	1.1
85.02920	0.9
91.05481	1.2
92.12581	0.5
93.03387	0.8
95.04957	1.5
99.04454	1.3
101.57964	0.5
105.03415	2.2
107.04975	1.0
109.02876	5.9
111.00801	12.9
111.04467	2.0
115.05417	0.7
119.04977	1.2
121.02863	1.9
123.04439	17.4
127.03922	96.0
131.04916	1.2
133.02840	6.5
135.04419	2.5
137.02357	1.1
139.03908	100.0
143.04886	0.8
145.02837	0.8
145.06485	1.0
147.04413	8.8
149.02359	4.2
149.05975	0.8
151.03908	50.6
152.04317	0.7
153.01843	1.7
153.05466	1.6
155.03404	7.2
157.02919	1.0
159.04414	2.6
161.02316	1.3
161.05978	2.4
162.02927	0.8
163.03922	11.2
165.05502	2.4
167.03383	2.4
169.04961	3.5
169.06332	1.1
171.04434	2.6
173.06004	1.4
175.03914	17.4
177.01913	1.0
177.05478	11.5
179.03404	69.7
180.03699	1.2
181.04950	3.1
183.04382	1.4
185.06004	1.7
187.03865	1.3
189.05493	5.5
191.03391	9.6
193.04939	3.0
197.05917	1.5
199.03955	5.9
201.05557	4.8
203.03403	26.6
205.04942	3.0
211.03865	1.1
213.05435	6.4
215.03418	2.5
216.04248	0.7
217.04971	8.1
219.03053	1.4
219.06569	2.8
221.04500	2.0
223.02313	3.1
225.05479	1.2
227.03395	1.7
229.05003	5.5
231.02887	0.7
231.06522	3.9
233.04439	6.0
241.04970	4.8
243.06508	1.1
245.04468	91.1
246.04805	1.3
247.06114	1.7
251.05550	0.8
253.04965	2.1
255.06697	0.7
257.04468	17.1
258.05231	1.0
259.06015	4.7
261.04160	0.7
263.05511	54.1
269.04446	6.7
271.06009	4.3
273.03809	1.4
275.05502	25.2
277.07043	2.7
279.06601	0.7
281.04544	3.0
283.05981	1.4
285.03998	1.3
287.05511	68.2
289.07117	3.7
295.06210	0.7
297.03870	1.4
299.05508	21.4
300.05997	0.8
301.07132	0.9
305.06573	31.2
307.08194	21.5
309.03915	1.5
311.05548	3.1
313.07001	0.6
317.06586	19.0
321.04001	1.1
321.07483	1.4
323.05408	1.4
329.06558	2.2
331.05954	1.3
333.07504	0.9
337.07318	0.7
339.04971	1.1
347.07538	2.1
349.07083	2.1
351.04929	1.7
359.05499	1.1
361.07559	0.7
377.06378	1.0
381.05966	0.8
389.06256	1.0
393.06064	3.9
395.07526	1.6
399.07083	1.3
405.06107	8.8
407.07416	2.2
411.06958	1.3
413.08655	8.0
417.05911	2.3
423.07175	20.9
425.08667	21.5
435.07153	5.5
437.08539	1.1
441.08200	13.6
443.09753	25.7
447.07144	2.1
453.08176	4.6
455.09937	0.8
465.08191	3.3
467.09924	3.7
483.08841	1.2
485.11041	1.5
543.09137	1.6
549.10547	3.1
561.10040	2.7
567.10950	1.7
573.09827	3.0
585.09845	0.9
591.11139	1.1
603.10944	1.9
609.12543	1.0
611.13800	3.6
711.12964	0.8
729.14056	2.9
747.15729	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	914.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	0.4
67.05508	9.9
69.03436	1.3
69.07072	6.0
71.01352	0.3
71.04990	1.3
71.08635	15.9
73.02914	1.3
75.04533	0.3
79.05494	6.2
81.03421	47.5
81.07056	13.3
83.04984	2.2
83.08622	17.3
85.02908	5.2
85.06551	0.9
85.10188	10.9
89.06027	0.9
91.03952	3.1
91.05482	8.8
91.80966	0.3
93.07046	4.4
95.04971	14.9
95.08607	12.9
96.76579	0.3
97.02892	3.8
97.06515	1.2
97.10164	4.3
98.21529	0.7
99.04464	0.4
99.08071	0.6
99.11740	0.6
103.07586	0.9
105.07029	5.6
107.04943	3.8
107.08595	2.0
109.02840	0.5
109.06503	1.8
109.10164	6.5
110.51386	0.3
111.04425	1.3
111.08084	4.3
111.11713	0.6
115.05449	1.0
117.07026	1.1
117.09151	0.5
119.04983	0.6
119.08590	6.9
121.06506	1.8
121.10143	3.0
123.04430	1.2
123.08070	1.0
123.11700	3.2
125.09631	0.6
125.13255	0.5
127.03886	1.5
129.07013	5.7
131.08572	5.1
133.06487	2.0
133.10133	2.7
135.11726	0.9
137.05966	0.6
137.09608	0.7
137.13245	1.4
142.07787	1.5
143.08629	0.4
145.04955	1.8
145.10123	1.3
147.04381	0.5
147.08072	1.9
147.11690	5.0
149.09618	3.1
157.10141	6.4
157.11331	0.6
159.11646	0.4
163.06071	2.9
163.11188	1.1
165.12749	1.1
165.16385	0.4
171.11752	0.4
172.57401	0.3
175.11188	6.5
189.12788	0.4
193.12251	21.8
205.12283	0.7
211.13248	1.7
221.22729	0.4
229.18661	0.5
231.13884	0.4
235.13234	1.5
239.23709	2.0
249.14894	1.6
257.24744	2.3
259.13324	1.4
267.15918	100.0
268.16095	0.6
273.14865	0.9
301.14255	2.0
309.16840	3.0
313.27371	98.3
314.27634	0.7
319.15503	0.7
325.25565	0.3
333.16614	0.5
337.16287	0.4
351.17923	0.3
375.18008	0.7
393.19104	0.5
429.21329	0.3
505.38895	82.5
506.38968	1.4
523.40051	3.9
547.39893	5.8
565.40753	0.8
589.40924	1.1
601.41229	2.9
613.40533	1.6
631.41980	2.1
649.43329	1.9
763.84302	0.3
829.48505	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.6801
Annotation	Unknow
Peak:m/z	Relative Intensity
65.70417	0.2
67.05498	1.0
69.03416	0.3
69.07050	0.9
70.06590	2.0
70.17975	0.8
81.03410	0.5
81.07068	1.0
82.06579	3.2
83.04974	1.7
83.08620	12.1
84.08155	1.2
85.02884	0.3
85.06543	0.8
91.05468	0.4
93.07034	0.3
94.06551	0.3
95.04963	0.3
96.08156	0.3
97.06517	0.4
98.09696	2.0
100.07616	5.9
100.11257	67.1
101.11587	0.3
105.14346	0.2
107.08559	0.3
109.02846	0.4
109.06504	0.3
109.10111	0.3
110.06054	2.5
111.04444	9.1
112.07604	2.8
112.11249	0.4
117.13885	1.1
118.93574	0.3
119.04909	0.3
123.04418	0.2
124.07592	0.3
125.05930	0.2
126.09146	1.9
127.03914	0.7
127.08655	2.0
128.07083	7.9
129.05466	0.4
133.06531	0.3
137.05995	0.5
138.05495	0.3
139.08658	5.0
140.07062	3.5
145.02914	0.2
147.04445	1.1
147.11707	0.9
149.13304	0.3
164.14317	1.0
165.09129	0.6
166.15913	1.3
167.07077	0.3
168.13879	0.6
174.12796	0.3
175.11203	0.6
177.05492	0.6
182.15405	32.8
191.15405	0.3
192.13835	1.7
193.08644	0.3
200.89323	0.2
209.14998	0.5
209.16495	30.0
210.14893	47.4
211.15175	0.5
215.94049	0.2
221.22826	0.2
226.19141	6.6
227.17525	3.3
228.15930	4.9
245.18709	0.8
285.07565	0.5
291.24384	0.4
308.23648	0.4
308.27014	0.6
309.22015	0.5
309.25354	2.2
326.28000	6.2
335.24658	1.0
336.22791	4.7
337.21051	1.6
343.30634	3.3
354.23947	0.3
417.32199	0.4
426.17059	0.3
435.33258	2.1
436.31824	0.9
452.36014	2.5
453.34387	2.8
534.44098	0.8
552.44586	2.1
569.47412	0.8
661.49524	0.4
678.53198	0.4
679.50708	0.4
760.59875	0.3
887.66821	7.9
888.66998	0.2
905.67957	100.0
906.68347	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	904.5267
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03950	3.5
66.35377	0.8
67.05510	73.6
69.03423	6.2
69.07075	27.9
69.29347	8.2
71.04984	5.3
73.02917	4.5
75.41347	0.8
77.03937	1.7
79.05496	42.3
81.03429	8.0
81.07059	100.0
83.04985	10.3
83.08629	14.1
85.02909	15.5
85.06548	5.4
87.04469	1.8
91.03959	9.5
91.05486	40.8
93.07050	42.9
95.04977	8.2
95.08611	45.9
97.02895	9.6
97.06539	10.6
97.10172	8.4
99.04456	1.6
99.08090	3.3
105.04562	1.0
105.07035	40.0
107.04974	3.9
107.08600	28.7
109.02886	1.0
109.06525	6.8
109.10166	31.7
109.10920	1.5
111.04459	1.4
111.08092	4.7
113.06071	1.1
115.07634	1.0
117.07016	7.1
119.08588	32.2
121.06515	2.2
121.10152	31.7
123.08091	5.0
123.11710	23.4
125.09614	5.5
127.03930	2.4
127.07532	2.3
128.11584	0.9
129.05481	2.1
129.07019	3.1
129.28564	1.0
131.08572	11.1
133.10126	12.6
135.11699	11.1
136.12094	1.0
137.09599	5.3
137.13254	3.1
139.11169	1.0
141.09158	1.3
143.08569	1.6
145.04968	2.6
145.10115	7.5
147.11699	59.0
149.09622	4.1
149.13251	5.5
151.11163	1.8
153.12770	1.0
155.08618	0.9
155.10724	1.5
157.10127	4.9
159.11690	4.4
161.13274	3.4
163.06029	3.4
163.11212	4.4
163.14882	3.3
165.12764	23.1
169.10168	1.0
171.11681	2.1
173.09682	1.4
173.11765	6.2
173.13286	4.2
175.11177	2.9
183.11650	1.0
183.13791	2.8
183.70001	0.9
187.14790	2.7
193.12288	3.6
199.13284	2.9
201.85352	1.0
209.11803	1.7
211.13396	1.1
227.12834	2.0
227.39607	0.9
229.14360	15.0
243.21098	5.8
254.63385	1.0
261.22153	15.6
267.15933	55.1
268.16241	1.4
273.18399	1.4
275.20160	4.9
279.23157	2.5
285.16974	75.2
291.19629	2.4
301.16553	2.0
317.24887	3.0
325.20203	1.3
335.25818	69.4
349.23804	8.2
353.26791	4.2
383.24216	4.9
399.23901	4.2
407.28049	1.7
471.35229	1.3
503.33853	4.0
519.33350	1.0
527.37390	8.3
545.38391	68.5
546.38586	2.0
553.34045	1.8
563.39246	6.7
673.43091	2.7
904.50421	4.9
905.50226	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	904.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.7
67.05508	48.1
67.58117	0.5
69.03427	2.4
69.07070	17.8
69.23576	5.1
71.04993	3.3
73.02908	2.6
79.05496	28.8
81.03440	4.2
81.07060	69.2
83.04997	3.9
83.08620	8.1
85.02906	9.2
85.06553	4.2
87.04447	1.4
91.03966	5.0
91.05486	27.2
93.07051	29.9
95.04973	4.5
95.08611	33.0
97.02888	5.1
97.06530	6.3
97.10163	2.8
99.04442	1.3
99.08105	2.8
101.05999	0.8
105.04531	0.8
105.07035	27.3
107.04951	1.7
107.07874	1.0
107.08596	19.2
109.02740	0.6
109.06543	5.0
109.10161	18.7
111.08076	2.9
113.06037	1.4
115.07555	0.8
117.07033	3.5
119.08591	21.1
121.06420	0.6
121.10145	20.7
123.07313	0.5
123.08071	3.4
123.11703	18.2
125.09650	3.3
127.03903	2.3
127.07575	1.1
128.84782	0.5
129.05463	0.8
129.06992	2.1
131.08594	7.5
133.06477	0.6
133.10127	8.1
135.08078	0.7
135.11703	9.1
137.09604	2.4
137.13269	1.8
139.11166	1.0
141.09091	0.6
143.08531	0.7
145.04950	2.3
145.10132	4.9
147.04300	0.7
147.07980	0.7
147.11693	38.7
149.09683	3.0
149.13278	4.7
151.11177	0.6
155.10762	0.7
157.10115	2.1
159.11716	4.0
161.13245	2.9
163.06007	1.1
163.11186	2.0
163.14868	1.1
165.12767	12.8
171.11784	0.8
173.11726	2.8
173.13260	2.7
175.11192	2.4
175.14844	0.9
183.13844	1.5
187.14862	1.3
191.10555	0.5
193.12238	1.4
199.13312	0.8
201.05116	0.6
209.11755	0.8
211.11383	0.7
211.13322	1.5
211.44772	0.5
223.13310	0.7
227.12756	1.0
229.14348	9.6
243.21091	3.8
261.22156	15.1
267.15924	44.2
275.20013	2.8
279.23279	2.9
285.16965	56.0
286.17560	0.7
301.16608	0.7
302.12106	0.6
317.24908	3.1
335.25809	100.0
336.25970	1.1
349.23499	3.5
353.26947	1.7
383.24255	1.6
399.23709	1.5
471.34241	0.9
503.33844	1.0
527.37347	5.9
545.38385	67.0
546.38757	2.2
553.33795	0.8
563.39282	4.3
636.10962	0.6
647.77209	0.6
673.42322	1.0
885.18951	0.7
904.49750	2.0
905.49371	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	2.2
67.05508	45.3
69.03422	5.3
69.07069	12.7
69.97141	1.8
71.01339	0.8
71.05002	5.2
71.08598	0.6
73.02926	4.0
74.81273	0.5
77.03904	0.8
78.57338	0.5
79.05496	39.4
81.03419	56.1
81.07058	51.7
83.04983	14.1
83.08623	20.0
85.02906	32.9
85.06506	2.3
85.06973	0.5
87.04440	0.7
91.03959	8.8
91.05482	37.6
93.07046	39.7
95.04970	23.6
95.08611	34.8
96.04462	0.7
97.02896	11.6
97.06523	4.9
97.10176	5.4
99.04439	1.2
99.08063	2.0
101.06017	0.5
103.05418	0.6
105.04498	0.6
105.07033	27.6
107.04958	7.0
107.08599	19.7
109.02860	0.7
109.06531	5.2
109.10159	14.1
111.04408	2.1
111.07381	0.6
111.08080	9.1
113.05995	2.5
115.05408	1.7
117.07021	5.2
119.04896	1.0
119.08583	24.5
121.06485	2.0
121.10143	19.3
123.04419	0.5
123.08073	2.8
123.11713	5.1
125.09597	1.9
127.03902	2.6
127.07571	0.7
128.06154	0.8
129.06172	0.6
129.07018	10.4
131.08574	17.7
133.06491	2.8
133.10141	13.2
133.11119	0.4
135.08028	0.8
135.11681	10.3
137.09579	2.2
137.13190	0.9
141.06889	0.5
142.07788	2.7
143.08501	2.2
145.04982	3.8
145.05946	0.6
145.10107	6.7
147.08086	3.0
147.11697	16.5
149.09624	6.8
149.13264	4.0
151.11130	0.8
153.12784	0.6
155.08577	0.8
157.10132	12.7
159.11705	4.7
161.13245	3.2
163.06058	3.5
163.11116	2.1
163.14822	2.4
165.12799	3.0
169.10172	1.0
171.11633	1.0
173.11938	0.6
173.13269	2.9
175.11186	13.1
175.14769	1.4
177.12639	0.9
177.16379	1.1
183.11642	0.8
185.13289	0.9
187.14792	1.5
189.11186	1.1
189.16360	0.5
193.12247	36.2
199.14828	1.0
201.16330	0.8
211.13297	55.2
212.13586	0.7
227.12778	2.0
229.14281	1.1
243.21056	3.9
261.22162	9.8
267.15912	17.0
269.17319	0.6
283.15509	0.6
285.16962	67.5
286.17215	0.8
291.19547	0.7
301.25284	1.1
309.17221	0.6
317.24841	2.7
333.24298	0.7
335.25800	63.8
336.26276	0.7
388.12186	0.6
417.31088	0.6
435.27405	0.7
435.32800	1.7
453.33380	3.5
471.34695	1.6
527.37323	18.1
545.38385	100.0
546.38940	1.7
563.39319	0.8
569.38300	1.4
689.42639	0.8
748.49194	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	2.3
67.05508	38.5
67.05854	1.2
69.03438	3.6
69.07072	10.7
69.23773	3.4
71.01353	0.4
71.04998	2.9
73.02922	3.1
77.03925	0.5
79.05497	32.1
81.03420	35.5
81.07059	38.8
83.04985	9.5
83.08621	16.4
83.09344	0.5
85.02908	22.6
85.06541	1.8
87.04447	0.5
91.03423	0.4
91.03959	6.3
91.05485	27.5
93.07047	33.9
95.04973	15.6
95.08609	27.9
97.02300	0.5
97.02888	6.2
97.06535	4.2
97.09644	0.3
97.10168	3.7
99.04422	0.9
99.08049	1.4
105.04486	1.2
105.07037	20.0
107.04963	4.3
107.08596	17.1
109.02834	0.6
109.05915	0.4
109.06525	3.7
109.10160	11.4
111.04403	1.4
111.07375	0.4
111.08080	6.7
113.05978	1.4
115.03915	0.6
115.05427	1.2
117.06342	0.4
117.07021	4.2
117.88460	0.4
119.01976	0.3
119.04929	0.5
119.08585	17.6
121.06451	1.0
121.10145	17.7
123.08074	2.5
123.11694	3.6
125.09651	1.7
127.03908	2.5
128.06227	0.7
129.06174	0.5
129.07019	6.6
131.07616	0.7
131.08575	13.2
132.63153	0.3
133.06514	2.1
133.10136	11.7
135.08022	0.7
135.11702	8.4
137.09628	2.1
137.13237	1.2
139.11133	0.4
141.06955	0.4
142.07751	1.5
143.08533	1.0
145.04967	2.6
145.10130	5.4
147.08058	2.1
147.11699	12.3
149.09619	4.6
149.13266	4.8
151.11147	0.7
153.12720	0.7
155.08531	0.6
155.94742	0.3
157.10138	9.1
159.11693	2.8
161.13274	3.1
163.06042	2.7
163.11143	1.2
163.14806	1.7
165.12778	2.0
171.11694	1.0
173.13293	2.8
175.11201	8.7
175.14789	1.2
177.16299	0.6
183.11684	0.6
185.13190	0.5
187.14790	1.3
189.11240	0.5
193.12244	25.1
197.13231	0.6
199.14822	0.6
201.16321	0.7
211.13292	31.4
215.17885	0.4
219.17542	0.3
227.12749	0.8
229.14435	0.8
243.15788	0.4
243.21046	2.7
249.14757	0.6
261.22147	7.5
267.15918	10.2
267.18616	0.7
269.17441	0.7
275.20163	0.4
285.16965	41.4
291.19608	1.0
299.23581	0.6
301.25208	0.9
303.23297	0.5
317.24722	2.2
335.25812	64.0
336.26276	0.8
407.33170	0.4
417.31378	0.5
435.32703	2.0
453.33408	1.9
471.34723	1.0
509.36621	0.5
527.37354	13.8
545.38385	100.0
546.38708	2.4
563.39392	1.1
689.42590	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03905	2.1
67.05507	28.9
69.03404	1.7
69.07070	8.8
70.87164	0.6
70.87498	1.0
71.04992	2.4
71.08612	0.5
73.02903	1.5
74.55025	0.5
77.03947	0.8
79.05495	27.6
81.03429	2.6
81.07059	32.4
83.04979	2.9
83.08620	8.3
85.02887	3.1
85.06512	1.8
91.03933	1.9
91.05479	13.9
93.07046	38.7
95.04980	5.0
95.08610	41.5
97.02889	4.5
97.06530	3.2
97.10155	1.3
99.04474	3.2
103.05441	0.7
105.04502	0.9
105.06382	0.8
105.07035	9.2
107.04959	6.6
107.08595	28.9
109.06519	1.2
109.10149	10.9
111.04397	0.9
111.08079	1.3
113.05988	0.8
113.09624	0.5
115.05437	0.7
117.07019	8.9
119.08582	12.6
121.06507	4.7
121.10151	19.7
123.08052	1.0
123.11707	2.4
125.05999	2.2
125.09647	0.7
129.07014	0.7
130.07751	1.3
131.08577	4.4
133.10136	4.9
135.08034	1.6
135.11699	46.9
136.12027	0.7
137.09653	0.7
137.13239	0.9
139.07494	2.4
143.08536	1.1
145.04947	0.8
145.10127	26.0
147.11699	2.1
149.09544	0.8
149.13246	3.7
153.12743	0.5
159.11671	1.5
161.13245	1.8
163.11183	51.8
163.14838	1.4
173.09604	0.8
173.13184	2.1
175.14832	0.8
181.10776	0.7
181.12251	9.7
187.14812	1.0
188.93564	0.5
205.15880	0.6
209.11694	1.4
216.96500	0.4
227.12785	63.7
228.13214	0.6
243.21080	2.8
261.22147	6.7
269.17139	0.6
283.15402	99.5
284.15714	1.2
317.24753	2.4
335.25806	84.0
336.26096	1.3
410.74957	0.5
469.32834	1.1
507.39215	0.6
543.36823	100.0
544.37103	2.2
561.37909	1.9
572.14429	0.5
577.34363	0.5
928.74707	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.7
67.05504	32.7
69.03432	1.2
69.07068	10.2
69.27391	0.5
69.27795	2.0
71.04992	1.9
71.08625	0.3
73.02921	1.6
77.03913	0.3
79.05492	28.8
80.05838	0.4
81.03417	1.8
81.07056	37.4
83.04979	2.6
83.08617	8.1
85.02901	2.8
85.06554	1.2
91.03968	1.4
91.05479	12.7
93.07043	41.0
95.04971	5.4
95.08605	43.3
97.02889	4.2
97.06525	3.1
97.10163	1.9
98.21513	0.6
99.04457	2.4
99.08086	0.6
103.05437	0.4
105.04542	0.6
105.06511	0.2
105.07027	10.2
107.04956	4.3
107.08594	27.5
109.06519	2.0
109.10155	11.4
111.04447	1.1
111.08096	1.4
113.06008	0.6
113.09596	0.4
115.05466	0.3
117.07018	7.1
119.08579	12.2
121.06514	3.5
121.10139	18.8
123.08092	1.2
123.11710	3.0
125.06000	2.6
125.09621	0.5
127.03915	0.8
127.07571	0.5
129.07014	0.8
130.07800	1.0
131.08565	4.8
133.10133	5.6
135.08104	1.8
135.11690	39.0
137.09636	0.8
137.13248	0.7
139.07552	1.0
143.08585	0.7
145.04953	0.4
145.06451	0.5
145.10123	23.0
147.08049	0.3
147.11702	3.4
149.13275	3.4
153.12749	1.0
155.08536	0.4
159.11693	2.0
161.13275	2.4
163.11179	45.3
163.14804	1.6
164.11531	0.5
165.12746	0.3
173.09619	0.6
173.13243	2.0
175.14793	0.4
177.12839	0.3
181.12231	8.1
187.14839	1.1
189.16432	0.3
191.14459	0.3
199.14851	0.3
201.16319	0.4
209.09981	0.3
209.11794	1.1
227.12779	48.3
228.13185	0.4
236.68477	0.3
243.21074	2.5
261.22141	7.0
283.15396	53.1
284.15845	0.6
317.24734	1.9
335.25790	97.2
336.26147	1.5
346.28998	0.3
349.23941	0.3
469.32809	0.5
543.36804	100.0
544.37134	2.2
561.37817	1.0
902.51904	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	2.7
67.05508	45.6
69.03439	8.4
69.07077	11.0
71.01362	2.1
71.04977	6.5
71.53348	2.0
72.14095	2.1
73.02907	5.2
79.05070	2.7
79.05498	42.5
80.06316	1.5
81.03424	100.0
81.07061	31.9
82.04175	2.7
83.04990	30.6
83.08625	25.1
85.02905	14.3
85.06531	4.7
87.04473	1.8
88.47343	1.5
88.93290	1.5
91.03953	5.1
91.05489	40.9
93.07050	35.7
95.04983	36.1
95.08123	1.8
95.08605	15.9
97.02894	15.8
97.06533	10.6
97.10169	14.3
98.07310	5.1
99.04448	3.9
99.08080	3.4
103.05478	2.3
105.04494	2.1
105.07032	24.0
107.04954	22.4
107.08598	23.7
109.02919	2.4
109.06524	7.9
109.10157	20.4
111.04453	16.4
111.08086	15.5
115.03980	1.8
115.05464	2.6
116.04706	6.1
117.07054	9.1
119.04991	2.1
119.08586	26.9
121.02831	5.4
121.06523	11.0
121.10153	18.0
123.04436	1.6
123.08081	3.6
125.05926	2.3
125.09636	11.4
127.03931	3.7
127.11143	1.7
129.05507	16.6
129.07007	15.4
131.04922	2.6
131.08582	16.6
131.54477	1.6
133.06467	5.4
133.10141	10.8
135.04413	6.9
135.08063	2.6
135.11708	17.4
135.70264	1.8
137.05931	2.4
137.09610	3.3
142.07747	2.7
143.07045	4.0
143.08560	3.2
145.06496	4.0
145.10114	13.1
147.04387	4.7
147.08009	6.6
147.11705	14.4
149.05968	2.5
149.09624	8.8
153.12764	25.4
155.08521	2.3
157.08594	10.0
157.10124	13.2
159.07927	1.9
159.11661	2.2
161.06021	2.2
163.11194	25.2
165.12737	3.2
171.10242	2.9
173.09624	3.9
173.11737	4.3
175.11192	16.5
181.12257	21.4
183.11673	4.0
189.11266	8.7
191.10722	14.2
193.12245	35.5
199.13313	4.5
200.13899	2.1
201.12747	2.4
201.14784	2.8
209.11694	9.1
211.11433	2.5
211.13290	10.8
219.13843	5.3
227.12807	53.8
229.12199	4.3
229.14362	19.1
231.13770	2.7
247.13309	27.7
249.14909	5.2
259.13266	2.1
265.14337	5.3
267.15945	94.9
273.14893	2.8
283.15408	39.9
285.07516	7.8
285.16943	2.1
286.08093	3.3
289.14316	3.1
301.16583	19.5
321.16934	9.8
339.17786	3.6
342.73502	1.8
365.21234	3.0
383.22000	8.1
401.23157	5.9
421.25699	6.3
439.26511	1.7
452.50793	1.9
457.25885	4.5
459.27243	4.4
461.28677	4.6
475.27005	36.9
476.27319	4.5
479.41339	1.8
493.27985	30.1
507.29663	2.0
525.30334	6.6
619.31201	3.1
662.34387	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	899.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.9
65.31918	0.7
67.05498	1.1
67.71420	0.8
68.99435	1.4
68.99786	11.8
69.63625	3.9
74.00614	0.7
77.03962	0.9
81.03413	4.4
83.04992	1.7
91.05479	1.5
95.04955	1.9
105.03397	2.6
109.02893	6.4
111.00804	14.7
111.04452	1.8
119.04919	2.5
121.02874	1.8
123.04427	28.6
127.03920	100.0
131.04967	1.4
133.02829	5.5
133.06491	0.8
135.04416	5.3
137.02335	1.0
137.05887	0.9
139.03905	82.6
139.58936	0.9
141.06999	1.3
147.04410	12.9
149.02402	4.0
149.06082	0.9
151.03909	50.3
153.01807	1.8
153.05472	1.8
155.03387	6.5
157.06519	1.1
159.04437	2.6
161.02347	1.1
161.05992	3.2
163.03894	8.7
165.05482	6.2
167.03404	3.2
169.05000	3.7
169.06467	1.0
171.04443	3.0
173.06006	1.5
175.03912	16.0
177.01846	0.9
177.05484	9.9
179.03403	63.2
181.04967	1.7
185.02438	0.8
185.06032	2.6
187.03925	2.1
189.01863	0.9
189.05492	5.9
191.03386	11.2
193.04950	3.3
199.03902	5.9
201.05452	4.2
203.03398	29.3
205.04918	1.3
207.06531	1.1
211.03949	1.3
213.05446	6.5
215.03404	2.9
217.04964	7.2
219.03027	0.9
219.06566	1.7
221.04514	1.1
223.02399	2.4
225.05521	1.5
227.03334	1.6
229.04985	7.1
231.02847	0.9
231.06577	2.3
233.04453	6.5
235.06100	1.4
241.05002	4.5
243.06573	1.3
245.04465	88.0
246.04909	0.9
247.05997	4.4
253.04941	1.2
257.04440	18.0
258.05090	1.9
259.06003	6.2
263.05505	45.7
269.04456	7.8
271.06076	4.6
273.04089	1.1
275.05490	24.0
277.07114	2.5
281.04471	2.4
283.06155	1.7
285.04114	1.2
287.05502	68.0
288.05804	1.0
289.07104	2.3
291.08649	24.5
295.05975	1.6
297.03885	2.4
299.05496	15.4
301.07013	1.1
303.05075	0.8
303.08643	1.1
305.06558	29.2
309.04056	1.8
311.05414	2.2
313.07007	0.9
317.06558	13.9
321.03989	1.2
321.07645	1.9
329.06485	1.6
331.06006	0.9
337.07257	0.9
339.05124	1.7
347.07864	2.1
349.06992	1.2
351.04996	2.4
359.05441	0.9
377.06442	1.7
391.08118	1.2
393.06122	3.3
395.07574	2.2
396.65036	0.9
399.07358	1.6
405.06210	5.2
407.07596	1.2
409.09293	5.0
411.06467	1.3
413.08710	8.9
417.06216	2.1
423.07074	22.1
425.08652	15.4
427.10220	6.1
435.07068	6.0
437.08752	1.2
441.02261	1.5
441.08072	14.0
443.09839	13.8
447.07196	2.2
451.10236	2.2
453.08279	4.6
465.08206	4.3
467.09561	0.9
469.11243	1.3
483.09451	0.8
543.09259	1.9
545.10986	1.9
549.10187	2.1
555.31506	0.8
561.10248	3.0
567.10742	2.4
573.10059	1.8
585.10040	0.8
587.12225	1.1
591.11792	1.0
595.14612	10.9
609.12598	0.9
642.48291	0.8
652.81409	0.8
695.14056	1.6
713.14954	2.5
731.16351	3.5
768.64893	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.573
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	24.9
69.03417	1.2
69.07066	5.5
71.04999	11.8
71.08638	13.2
71.52977	0.6
73.02909	1.4
79.05499	5.2
81.03436	0.8
81.07060	44.5
83.04984	1.7
83.08620	8.3
83.09071	1.1
85.02904	6.5
85.06553	5.0
85.10181	9.0
91.03958	3.4
91.05486	8.1
93.07042	5.6
95.08614	13.9
97.02896	3.0
97.06525	1.7
97.10165	4.3
99.08073	0.6
105.07024	4.0
107.08596	4.0
109.06557	1.0
109.10162	7.8
111.08097	1.1
111.11745	0.9
117.07020	1.1
119.08573	0.6
121.10145	1.7
123.11723	12.0
127.03923	1.3
131.08585	1.5
133.10135	8.4
135.11734	1.6
137.13245	1.1
145.04976	1.6
146.68054	0.6
149.13301	2.2
151.11209	4.8
159.11719	2.4
160.88391	0.7
163.06050	1.9
169.12317	1.1
177.12802	0.8
183.13872	1.0
183.42006	0.5
187.13231	2.8
195.13840	0.8
208.14264	0.6
224.48026	0.6
239.23732	1.6
257.17664	1.2
269.17517	4.3
270.30307	0.7
301.20081	12.7
313.27386	11.4
347.12131	0.6
457.88867	0.8
481.38895	63.3
495.40445	1.9
507.40375	7.3
539.43091	100.0
540.43384	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	898.5372
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	29.8
68.33913	1.6
69.03423	4.0
69.07066	10.8
71.01370	2.9
71.04996	3.5
71.08638	24.9
71.53584	1.6
73.02908	3.9
79.05496	21.8
79.64046	1.4
81.03426	16.1
81.07064	27.5
83.01340	3.4
83.04978	12.1
83.08622	15.7
85.02912	17.7
85.06550	2.8
85.10189	14.0
86.97530	1.4
91.03980	8.2
91.05473	13.6
93.07048	20.7
95.05003	6.9
95.08611	27.8
97.02901	13.5
97.06554	6.9
97.10192	9.0
99.00828	1.6
99.04495	1.7
99.11761	1.7
105.07053	10.6
107.04962	13.2
107.08614	14.5
109.02934	2.4
109.06564	2.3
109.10155	14.0
111.04456	12.1
111.08076	2.0
113.06033	1.4
117.07013	9.6
119.08587	11.1
121.06519	3.6
121.10139	13.3
123.08076	4.0
123.11722	3.4
125.09610	3.1
127.03949	3.7
129.07014	3.8
130.07898	1.5
131.08566	7.5
133.10150	4.6
135.08072	3.2
135.11713	16.4
137.09540	1.7
139.26268	1.1
145.04924	3.3
145.10124	17.9
147.08093	3.2
147.11673	1.8
149.09619	3.9
153.12756	12.2
155.08507	2.2
163.06049	3.7
163.11183	30.5
173.09686	8.0
174.60536	1.5
181.12210	9.4
191.10687	13.3
192.39075	1.4
207.13766	1.3
209.11749	25.8
227.12825	13.7
239.23732	3.4
244.45450	1.4
250.02806	1.3
255.15942	1.8
257.24731	2.2
265.14407	10.0
282.22678	1.3
283.15417	67.1
299.14792	2.5
300.15268	2.1
301.16467	66.5
313.27396	85.7
341.26712	2.2
503.37183	8.5
521.38403	73.1
522.37683	1.6
537.37811	1.8
539.39453	100.0
540.39532	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	890.547
Annotation	Unknow
Peak:m/z	Relative Intensity
61.80449	1.4
65.03931	2.3
67.05510	100.0
69.03422	6.4
69.07073	53.0
70.06595	2.6
71.05001	7.7
71.12260	1.5
73.02926	2.3
79.05497	59.4
81.03429	12.9
81.07063	81.4
83.05005	10.5
83.08618	20.6
85.02905	3.7
85.06544	7.0
87.04506	1.4
91.04902	2.2
91.05484	51.9
93.07050	58.3
93.07638	3.2
95.04975	13.8
95.08613	46.2
97.02897	5.5
97.06528	18.8
97.10178	11.7
98.20673	2.5
99.08093	4.3
101.58192	1.5
105.04531	2.1
105.06315	1.6
105.07037	46.6
107.04948	13.0
107.08591	36.2
109.06519	8.2
109.10161	53.6
111.08081	7.5
111.27911	1.5
113.09649	2.0
113.22801	1.5
115.05435	1.8
117.07034	15.7
119.07799	3.0
119.08590	37.3
121.06509	4.9
121.10146	19.3
122.77784	1.9
123.08102	7.3
123.11710	6.4
125.09637	12.2
127.03926	3.6
128.06227	2.1
129.05482	2.8
129.07021	9.1
131.08569	22.6
133.10139	25.1
135.08063	6.5
135.11726	10.8
137.09628	16.7
139.11192	2.5
141.06961	3.3
143.08620	7.8
145.06468	1.7
145.10126	19.3
147.08057	3.3
147.11705	17.7
149.09625	27.2
149.13269	12.4
151.11171	4.0
155.08562	5.6
155.10681	6.4
157.08876	2.0
157.10167	7.1
159.11726	15.0
161.09669	5.2
161.13261	8.4
163.11166	11.8
164.62587	1.5
165.09154	2.6
165.12720	2.9
169.10129	5.7
171.10277	2.2
171.11697	5.6
173.11739	15.1
173.13272	6.9
175.11090	3.6
177.12762	6.0
179.14337	3.9
183.11725	3.9
184.07414	1.8
185.13248	3.2
187.11070	3.5
187.14919	1.9
189.11247	4.3
193.12268	3.7
195.11829	1.4
195.13831	6.0
197.13268	2.5
201.12756	3.0
205.12415	1.8
209.13669	1.8
211.13358	3.2
215.14380	2.3
227.12769	15.8
229.14366	31.0
229.19308	3.5
233.15279	1.8
239.17970	4.5
243.16095	1.8
247.20685	4.8
253.18132	2.3
255.15804	2.8
257.18991	11.6
259.20581	2.4
265.95435	1.9
267.15958	3.5
269.17502	18.8
273.18439	4.0
275.20096	50.1
285.17114	2.2
291.19458	9.3
293.21140	6.7
295.19702	1.6
313.21637	2.5
331.22763	2.3
349.23755	48.3
365.23288	4.4
367.24786	7.9
383.24362	15.2
407.27917	2.3
409.25983	3.0
423.27478	18.2
431.28098	1.8
463.30804	2.6
503.33652	24.0
519.33087	2.4
521.34430	4.7
525.35565	1.9
529.35339	3.1
543.36829	18.8
561.37836	3.6
567.31671	1.8
595.26385	1.6
623.43195	13.5
629.59888	1.8
641.43707	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	888.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
61.71193	0.3
65.03862	1.1
67.05424	35.4
67.05825	3.8
68.05779	0.4
69.03343	2.4
69.06989	10.1
69.07402	1.0
69.45671	2.4
71.01316	0.5
71.04911	2.3
71.08564	0.5
73.02837	2.2
77.03873	0.8
79.05406	23.4
79.05909	1.9
81.03331	2.2
81.06969	41.9
81.07740	1.0
82.07322	0.4
83.04896	2.7
83.08530	6.5
85.02815	8.3
85.06451	1.7
87.04409	0.5
91.03951	3.3
91.05483	15.3
93.07047	33.9
93.07594	1.8
93.07861	1.3
95.04871	3.0
95.08607	20.6
95.09160	1.2
97.02892	4.3
97.06528	5.0
97.10159	2.2
98.21511	0.8
99.04356	0.7
99.08102	1.8
101.02328	0.8
105.04446	0.6
105.07037	8.7
105.07692	0.6
107.04892	0.6
107.08598	20.7
109.06435	1.2
109.10160	10.9
109.10845	0.5
111.08082	3.4
111.11665	0.4
113.09584	0.8
117.07023	6.1
119.08585	7.6
121.06475	0.6
121.10149	14.5
121.10997	0.6
123.08018	0.5
123.11720	2.1
125.09556	1.0
127.03929	1.8
129.05386	0.6
129.06934	0.9
131.08574	7.8
133.10147	7.2
135.07939	1.2
135.11697	7.7
137.13187	0.5
139.11127	0.5
143.08490	0.8
145.04854	1.7
145.10141	3.9
147.10669	0.4
147.11673	4.7
149.09462	1.0
149.13263	13.7
151.11098	0.9
151.14661	0.5
155.08463	0.4
157.10060	1.1
159.10510	0.5
159.11705	7.1
161.13205	2.6
163.05971	1.1
163.11174	0.9
163.14719	1.1
165.12712	0.6
171.11603	0.6
173.11612	1.1
173.13156	2.8
175.14792	0.8
177.12776	2.4
187.14720	1.0
195.13818	4.3
213.14688	0.5
217.14252	0.4
227.12784	0.6
229.14412	2.5
241.19426	0.7
243.21126	2.3
257.40375	0.4
259.20422	1.5
261.22131	5.8
267.15860	1.8
269.17480	41.5
275.19998	0.8
281.17627	0.4
291.19434	0.5
317.24768	1.2
333.24185	1.6
335.25815	41.3
336.26068	0.6
347.09277	0.5
349.23752	0.5
405.13531	0.9
412.71533	0.4
423.27441	1.0
437.34573	0.8
447.00876	0.4
455.35092	0.5
469.20529	0.9
470.20563	0.9
473.36346	0.5
497.31271	0.7
498.31329	0.5
511.37845	1.0
529.38910	100.0
530.39258	2.8
547.40143	2.6
552.54480	0.4
631.25140	0.4
632.26215	0.7
660.35999	0.9
888.50128	21.9
889.50183	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
64.47061	1.1
65.03931	3.9
67.05505	100.0
69.03424	10.0
69.07069	32.5
71.01346	1.7
71.04996	7.6
73.02913	3.3
79.05492	49.4
81.03421	19.4
81.07056	63.6
83.01333	1.3
83.04562	1.1
83.04988	13.1
83.08157	1.4
83.08622	19.8
85.02911	11.8
85.06532	4.9
87.04466	4.3
91.05479	43.6
93.07043	48.0
93.07635	2.3
95.04969	10.5
95.08608	28.1
97.02908	7.7
97.06532	12.4
97.10167	21.5
97.91792	0.9
99.04448	2.8
99.08092	3.3
103.03946	1.8
103.05457	1.2
105.04531	2.0
105.07028	32.7
107.04953	9.3
107.07866	2.4
107.08589	40.1
109.02880	1.7
109.06540	7.9
109.10158	59.7
111.04441	1.9
111.08099	7.2
113.09631	1.5
117.07016	16.3
119.08578	27.7
121.06503	3.9
121.10142	15.1
123.04464	1.6
123.07275	1.0
123.08041	5.6
123.11709	3.8
125.09633	21.7
127.03907	3.2
128.06206	1.6
129.05461	3.6
129.06972	5.8
131.04904	1.4
131.08565	17.7
133.06505	2.3
133.10126	19.7
135.08044	4.6
135.11682	10.6
137.09673	5.1
141.06935	1.5
142.07797	1.2
143.08545	4.2
143.10696	2.4
145.06471	1.5
145.10117	17.1
147.08032	1.5
147.11685	9.6
148.12010	1.5
149.09604	15.0
149.13248	6.7
151.11174	2.4
153.09093	1.3
153.12685	2.8
155.08549	1.6
155.10652	2.5
157.10121	3.7
159.08011	1.6
159.11687	12.0
161.09642	1.4
161.13216	3.8
163.11194	13.3
165.09071	1.5
165.12759	1.3
169.10112	2.9
171.11667	2.9
173.04494	2.0
173.09583	2.6
173.11722	14.8
173.13278	4.0
175.11162	2.3
175.22484	1.0
177.12750	3.9
179.14342	2.8
181.12225	2.2
183.11673	3.3
185.13269	1.4
187.11243	2.6
189.11226	8.6
191.10756	1.7
193.12241	4.1
195.12103	1.2
195.13799	4.7
197.13147	1.7
199.13290	5.6
199.14857	1.6
201.12758	1.2
209.11748	3.7
211.13229	1.4
227.12773	21.4
229.14365	39.8
229.16446	1.4
229.19321	1.5
233.15401	1.5
239.17899	2.9
245.19200	1.1
247.20490	2.5
253.14392	1.4
255.15874	6.0
257.19125	6.2
267.15915	8.0
269.17505	16.8
273.18262	1.1
275.16959	1.7
275.20041	35.7
283.15363	3.3
285.17010	1.6
291.19598	1.9
293.21033	3.1
301.16556	8.5
303.19305	1.2
335.25842	2.4
339.18066	1.5
349.23734	27.5
367.24667	1.6
399.23724	20.1
407.27985	2.2
409.25824	6.0
413.21445	1.8
423.27423	16.4
461.29050	1.1
481.28629	1.2
491.33636	1.3
495.29294	5.7
503.33780	15.1
521.34692	1.6
529.38440	1.4
545.37335	1.2
557.34229	1.5
575.35217	3.8
579.34888	2.9
593.36877	17.4
647.92700	1.0
673.43176	10.9
691.43732	2.8
711.90350	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03949	1.8
67.05508	58.7
69.03426	9.7
69.07072	27.1
69.07456	1.0
71.04995	4.3
73.02914	1.6
75.61154	0.8
79.05500	27.4
81.03420	12.0
81.07060	32.4
83.04989	7.4
83.08625	12.7
84.08140	1.2
85.02910	5.7
85.06520	2.6
87.04459	3.0
91.05484	23.0
93.06471	1.4
93.07048	21.2
95.04977	11.4
95.08611	13.6
97.02901	8.7
97.06520	4.6
97.10174	16.8
99.04464	0.8
99.08077	1.1
103.03978	0.7
103.05455	1.6
105.07027	14.8
107.04964	7.5
107.08598	15.4
109.02867	1.0
109.06571	3.9
109.10163	36.4
111.04459	1.6
111.08086	4.3
113.06066	0.8
113.09761	0.8
115.05525	1.1
116.04700	0.9
117.07021	6.8
119.08587	17.0
121.06504	3.4
121.10140	6.9
123.08085	3.8
123.11749	1.2
125.06004	0.9
125.09631	12.9
129.05492	3.1
129.06979	4.6
130.08670	1.4
131.08565	8.8
133.06476	2.8
133.10158	9.5
134.07275	1.2
135.08061	3.8
135.11682	4.0
137.09631	3.7
141.06964	1.4
143.08508	3.5
143.10704	1.3
145.06573	1.1
145.10129	8.6
146.08142	0.7
147.08058	5.7
147.11700	4.7
149.09615	3.2
149.13263	2.0
151.11168	2.9
153.09064	1.1
153.12700	1.6
155.06044	0.8
155.08586	1.1
155.10666	2.8
157.10127	3.4
159.08038	1.0
159.11707	3.0
161.09641	2.7
161.13342	0.8
163.11163	6.1
165.09114	1.5
171.10295	1.0
171.11737	2.0
173.09641	1.8
173.11755	9.7
173.13164	1.6
175.11203	2.0
177.12769	1.9
181.12276	1.5
189.11246	5.0
189.12700	1.0
191.10646	1.1
193.12318	2.4
195.11909	0.9
195.13823	2.1
199.13356	4.8
199.14938	0.9
203.26942	0.7
205.12299	2.2
209.11749	4.1
211.13254	1.3
223.13301	15.8
227.12747	7.1
229.14360	32.1
245.19006	1.5
249.14798	3.5
253.14336	4.4
255.17685	1.0
267.15897	4.0
270.54474	0.8
271.15405	1.0
273.18506	14.1
275.20023	2.2
283.15338	3.5
291.19556	100.0
292.19839	1.2
301.16498	10.0
319.42377	0.9
335.25864	1.4
347.22162	2.2
349.23654	2.3
365.23233	39.5
399.23813	10.7
489.32040	3.1
501.31622	1.5
507.33264	2.5
519.33215	30.5
557.35107	1.3
573.34198	2.2
591.35248	7.0
609.36237	2.0
689.42542	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	886.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	1.6
67.05511	17.9
69.03436	4.1
69.07073	4.6
70.79703	1.1
71.01363	0.6
71.04990	3.1
73.02911	1.3
79.05496	18.8
81.03423	74.7
81.06582	0.9
81.07062	18.0
82.03732	0.5
83.04983	7.4
83.08624	20.4
85.02427	0.8
85.02911	11.9
85.06544	1.4
91.03970	3.0
91.04894	0.5
91.05487	22.8
93.07050	12.7
95.04975	27.7
95.08613	7.7
97.02894	4.5
97.06538	2.8
97.10181	5.7
99.04471	0.5
99.08091	1.1
103.05501	0.6
105.07037	17.0
107.04961	8.3
107.08596	7.4
109.02901	1.1
109.06520	4.8
109.10164	4.8
111.04463	2.4
111.08086	8.9
113.06016	1.1
115.05453	1.0
116.06274	0.6
117.07028	3.7
119.04945	1.1
119.08589	15.2
121.06523	5.1
121.10162	7.5
123.04452	1.5
123.08074	3.2
123.11723	1.2
125.06090	0.4
125.09644	4.4
127.03910	1.1
127.07567	0.5
128.06219	0.9
129.05547	0.8
129.07018	11.7
131.04919	1.3
131.07590	0.6
131.08575	10.7
131.09528	0.8
133.06514	3.9
133.10144	8.5
135.08035	2.1
135.11699	1.5
137.05998	1.4
137.09612	2.3
141.06993	0.7
142.07787	2.4
143.08585	1.7
145.06502	5.3
145.10150	2.6
147.04375	0.9
147.08037	4.6
147.11697	12.0
149.05988	0.4
149.09619	6.2
151.11215	0.7
153.09145	0.8
155.08569	1.3
157.06508	1.1
157.10135	13.7
159.08099	1.5
159.11713	0.9
161.05952	1.0
161.09647	1.4
161.13286	0.6
163.06035	0.8
163.11220	2.3
165.12744	3.3
169.06479	1.0
169.10158	0.9
171.08098	1.4
171.11719	1.5
173.09567	0.9
173.11789	0.9
175.07761	0.4
175.11198	14.1
181.10129	0.6
183.08080	0.9
185.09680	0.5
185.13318	0.9
187.11227	0.8
189.09123	0.6
189.11214	2.2
189.12784	1.0
191.10666	0.6
193.12256	37.7
195.11702	1.1
197.13284	1.0
199.11256	0.5
203.14417	0.5
205.12233	1.3
209.11560	0.5
211.11359	0.8
211.13280	13.2
211.15277	0.8
213.12712	1.0
215.14363	0.4
217.12285	0.8
219.13905	0.4
223.11192	0.5
223.13312	0.6
225.12888	0.7
227.12779	1.2
227.14590	0.6
229.14392	1.6
231.13824	1.1
233.15422	1.1
235.13173	0.9
237.12721	1.0
237.14908	0.7
243.14063	0.5
249.14798	2.0
255.13727	2.7
257.15561	0.4
259.13284	0.7
260.20242	0.4
261.14792	0.4
267.15927	100.0
268.16275	0.8
269.15274	0.4
273.14868	6.1
281.15375	0.7
283.15366	0.5
285.16992	10.2
287.16516	0.8
291.15915	0.6
301.14185	1.0
309.16986	1.1
311.16443	0.5
323.19995	0.7
329.55887	0.4
339.23346	1.2
341.21066	2.5
349.21616	2.6
357.24353	1.4
367.22687	7.5
368.22986	0.5
374.16660	0.4
383.86380	0.4
385.23773	9.1
403.24765	2.4
405.24228	1.1
415.24759	1.0
433.25845	16.5
441.26413	7.3
459.27435	87.9
460.27744	1.6
477.28516	54.0
478.28693	1.1
491.29935	1.9
501.28305	2.0
509.31128	1.3
519.29919	2.7
527.28717	0.6
543.29236	1.3
567.29443	1.1
573.31042	0.4
585.30487	2.6
603.31812	2.1
621.32574	1.1
628.33380	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.6248
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	6.5
67.05170	5.7
67.05509	74.5
68.43639	3.1
69.07074	20.3
70.97155	2.9
71.54760	5.6
79.05497	93.6
81.03429	7.2
81.07069	68.8
83.04976	13.8
83.08632	16.1
91.05488	100.0
93.07052	86.5
95.04981	22.0
95.08619	55.9
97.06528	9.5
97.10181	5.2
100.07655	3.3
103.05475	5.4
105.04514	4.6
105.07038	88.4
107.04990	8.8
107.08612	33.9
109.06522	8.7
109.10159	14.5
111.08095	4.9
114.82717	3.1
115.05428	5.4
117.07024	38.4
119.08582	65.7
121.06500	4.0
121.10152	23.8
123.08047	6.5
128.06207	8.5
129.07027	33.8
131.08575	36.3
133.10144	33.0
135.08076	5.0
135.11684	10.9
140.15831	3.1
141.07039	6.5
142.07744	5.7
143.08580	24.1
145.10112	37.6
146.08121	8.3
147.08055	4.1
147.11714	42.4
149.09627	6.8
149.13240	9.4
155.08542	12.7
157.10185	18.8
159.11687	24.1
161.09679	6.8
161.13280	12.6
163.11169	6.0
167.08633	4.6
169.10149	13.4
171.11710	38.1
173.13292	11.3
175.14888	6.3
179.08565	3.1
181.10149	8.3
183.11755	17.1
185.13257	12.2
187.11246	4.5
187.14908	5.0
189.12732	11.1
195.11713	4.0
197.13286	7.7
198.66170	3.8
199.14915	4.5
201.16264	3.9
207.12006	5.7
207.13840	14.2
209.13287	7.5
211.14929	5.7
221.13254	7.2
223.14810	8.0
225.16512	4.1
239.17984	7.7
241.19531	6.0
241.49422	3.8
251.18082	3.8
257.19006	13.5
259.20575	21.1
275.20081	20.9
281.17490	7.5
379.36197	3.6
447.32721	4.6
513.36389	3.3
515.38855	6.4
533.40051	7.6
537.35419	4.9
539.37610	16.4
541.38965	4.2
555.36633	7.4
589.42676	6.6
607.43134	11.7
759.51324	5.7
773.53931	4.4
813.56622	31.2
831.57886	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	883.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	1.9
67.05505	38.0
69.03432	1.6
69.07069	8.5
71.04999	1.7
71.08621	0.7
71.53818	1.1
72.69159	0.7
73.02910	0.8
77.03937	1.1
79.05495	42.8
80.26596	0.6
81.03410	5.1
81.07057	37.3
83.04991	7.3
83.08629	6.1
85.02895	2.1
85.06543	1.7
91.03972	0.7
91.05481	28.7
93.07048	42.2
95.04977	8.7
95.08607	27.7
97.02917	1.8
97.06539	3.0
97.10172	2.1
99.08070	1.0
105.04524	1.4
105.07034	22.2
107.04955	3.0
107.08601	14.4
109.06517	3.0
109.10168	7.5
110.08127	0.7
111.08092	1.5
115.05465	0.8
117.07017	5.1
119.08582	14.9
121.06514	1.3
121.10141	9.2
123.08096	2.1
123.11706	1.8
128.06171	0.7
129.07013	7.6
131.08566	4.9
133.10139	7.8
135.08076	1.1
135.11711	5.1
143.08546	3.9
145.04961	0.8
145.10133	6.6
147.08083	1.3
147.11682	15.2
149.13235	2.4
151.11238	1.0
159.11720	3.2
161.13272	5.3
163.14778	1.1
169.10112	1.0
171.11708	7.7
173.13315	1.5
175.14842	1.8
187.14772	1.0
189.12741	3.3
194.12604	0.8
207.13805	10.5
243.21202	0.9
253.61642	0.6
261.22165	4.9
267.16086	1.0
271.49881	0.7
278.16998	0.7
279.15939	1.2
281.17487	25.7
285.16946	1.3
286.17258	1.0
313.27475	2.6
314.27817	1.7
317.24564	1.0
335.25797	41.8
426.22247	0.7
449.34064	1.0
467.35260	0.8
523.39008	1.1
524.40302	2.3
541.38916	100.0
542.39362	2.6
559.39783	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	882.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
63.36926	0.3
65.03925	0.5
67.05505	14.8
69.03434	2.9
69.07068	7.3
69.29832	0.4
71.04994	3.1
71.08633	15.2
73.02917	3.0
73.06574	0.4
75.04395	0.4
76.47829	0.4
79.05494	12.5
81.00198	0.4
81.03418	33.6
81.07057	20.1
81.07751	0.5
83.04981	7.7
83.08619	17.7
85.02905	22.3
85.06528	0.9
85.10181	8.7
87.04450	0.5
89.06009	0.9
91.03424	0.4
91.03957	6.8
91.05478	15.8
92.34505	0.3
93.07043	8.5
95.04969	12.9
95.08604	15.5
97.02894	6.1
97.06529	2.1
97.10179	4.8
99.04426	0.8
99.08071	0.7
99.11720	0.6
103.07558	0.9
105.07033	11.5
107.04954	2.9
107.08598	3.7
109.06534	3.1
109.09478	0.5
109.10155	6.6
111.04396	1.0
111.08080	5.1
111.11655	0.9
113.05975	1.6
115.05411	0.9
117.07001	1.2
119.04894	0.4
119.08579	9.4
121.06503	1.1
121.10139	5.6
123.08053	1.3
123.11712	3.1
125.05885	0.6
125.09607	1.0
127.03922	2.1
129.06152	0.5
129.07007	6.2
131.08571	6.4
133.06473	1.2
133.10133	6.4
135.07959	0.4
137.09535	1.2
137.13225	1.2
142.07750	1.4
144.06599	0.4
145.04970	2.7
145.10077	0.9
147.07993	1.5
147.10501	0.5
147.11687	9.2
149.09599	3.5
151.11185	0.5
157.08968	0.6
157.10135	8.8
163.06036	3.0
163.11218	0.6
165.12755	1.8
175.09743	0.7
175.11182	9.0
193.12241	26.1
194.12560	0.4
195.73323	0.3
211.13287	38.3
212.13702	0.5
239.23726	1.6
257.24716	1.3
267.13000	0.6
267.15906	18.4
285.16959	57.7
286.17291	0.7
313.27356	61.8
314.27884	0.7
505.38885	14.6
523.39941	100.0
524.40393	2.2
599.92291	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	10.5
69.03427	2.1
69.07070	5.0
71.05009	1.2
71.08635	13.1
73.02922	1.2
79.05493	6.5
81.03423	24.2
81.07058	13.7
81.18073	0.5
83.04985	5.4
83.08623	13.1
85.02905	12.8
85.10187	7.0
86.71140	0.6
87.04460	0.6
89.06033	0.8
91.03943	3.0
91.05490	8.9
93.07048	6.1
94.06837	0.6
95.04974	10.5
95.08609	12.6
97.02886	3.3
97.06532	1.6
97.10141	4.0
98.21536	1.0
99.04450	0.6
105.07052	8.2
107.04951	2.7
107.08620	3.4
109.06513	1.4
109.10175	5.2
111.08082	4.7
117.07014	1.2
117.09052	0.6
119.08588	6.4
120.19936	0.6
121.06523	0.8
121.10154	3.7
123.08095	0.7
123.11716	2.5
127.03922	0.6
129.07042	2.9
131.08557	4.7
133.06551	0.9
133.10112	3.4
135.11693	1.3
137.09723	0.7
137.13266	0.9
142.07851	1.1
145.04987	0.8
145.10146	1.7
147.08031	1.4
147.11707	6.9
149.09628	2.4
157.10143	5.1
163.06029	0.9
163.11143	2.9
164.11557	0.8
165.12798	1.3
175.11195	5.5
181.12190	0.7
193.12259	17.8
211.13313	23.2
227.12813	1.7
228.13245	0.7
239.23853	0.8
267.15958	9.7
283.15405	1.8
284.15805	1.5
285.16989	21.8
313.27371	34.8
314.27795	1.5
315.28030	0.9
344.44583	0.6
460.22745	0.7
505.38995	7.3
521.38678	1.2
522.38727	1.7
523.39966	100.0
524.40460	2.3
606.29279	0.7
882.56781	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	1.1
65.26340	0.6
67.05509	22.2
67.06027	0.9
69.03378	1.8
69.07071	14.3
70.97949	0.6
71.04963	2.5
71.08634	18.3
71.53025	0.6
73.02934	3.3
73.06534	0.8
74.09702	0.6
79.05058	0.8
79.05492	8.8
80.19980	0.6
81.00430	0.6
81.03400	0.8
81.07058	55.7
83.04989	5.3
83.08619	13.4
85.02908	9.8
85.06540	3.3
85.09743	0.9
85.10191	10.3
87.04459	1.5
89.06010	1.3
91.03960	6.2
91.05485	15.6
93.07053	6.1
95.04937	2.3
95.08607	26.0
97.02888	4.9
97.06522	4.3
97.10165	4.9
99.08053	2.6
99.11722	1.0
101.05995	1.7
103.07581	0.9
103.26814	0.6
105.07033	22.5
107.08596	7.9
109.06519	3.3
109.10156	7.0
109.26128	0.6
110.23975	0.6
111.11697	0.8
111.29172	0.6
112.89859	0.6
119.08585	19.1
121.09328	0.9
121.10143	14.9
123.08060	2.2
123.11711	26.4
127.03883	2.8
127.07522	2.1
129.07002	1.6
133.10060	2.2
137.13271	4.1
141.09033	1.1
145.04903	2.1
147.11691	57.4
157.10115	2.1
163.06033	3.8
165.12755	24.8
175.11115	1.7
183.13763	2.1
193.12262	1.1
215.49187	0.7
229.14442	3.7
239.23726	2.5
257.24677	2.8
267.15918	79.7
268.16318	0.8
285.16971	91.5
286.17151	0.9
313.27368	87.7
314.27536	1.1
331.28427	2.5
345.40417	0.7
523.39966	100.0
524.40234	1.5
706.05658	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	1.1
67.05510	16.8
69.03425	0.9
69.07069	4.2
71.04997	1.4
71.53092	0.5
73.02924	0.6
73.06551	0.7
76.79781	0.3
77.03922	0.3
79.05499	25.3
81.03424	31.0
81.07063	15.0
83.04985	5.9
83.08150	0.7
83.08624	9.2
83.09119	0.6
85.02913	2.4
85.06545	1.2
87.04494	0.3
91.03967	0.7
91.05486	23.4
93.07050	24.4
94.07372	0.4
95.04976	14.5
95.08611	8.7
97.02904	2.1
97.06520	1.9
97.10170	1.8
101.06013	0.5
103.05475	0.5
105.04514	1.3
105.07038	17.2
107.04953	4.4
107.08602	6.6
109.02856	0.3
109.06526	3.2
109.10168	2.3
111.04413	0.6
111.08081	3.3
115.05460	1.0
117.07020	3.1
119.08588	12.4
121.06513	1.8
121.10146	3.2
123.04423	0.6
123.08080	2.5
123.11747	0.4
125.09592	0.5
127.03905	0.5
127.07605	0.5
128.06229	1.0
129.07014	8.9
131.08589	3.7
133.06543	1.7
133.10130	4.8
135.08028	0.6
135.11702	1.0
137.09633	1.1
142.07774	1.1
143.08559	3.2
145.10127	4.4
147.04494	0.3
147.08066	2.1
147.11696	16.4
149.09641	1.1
156.09302	0.5
157.10150	4.3
159.11710	0.7
161.09694	2.1
161.13258	4.7
163.05994	0.4
163.11217	1.2
165.12830	0.8
169.10184	0.3
171.11707	10.1
173.09744	0.3
175.11188	4.3
189.12758	3.7
193.12254	8.6
207.13815	8.0
207.15746	0.5
211.13336	0.5
225.14670	0.3
231.13672	0.4
244.95909	0.4
249.14874	0.8
252.75243	0.3
267.15927	26.4
281.17490	32.1
282.17984	0.5
305.17844	0.4
348.76346	0.3
367.61807	0.3
381.24466	0.4
421.25946	1.0
447.27399	0.8
455.27902	0.9
473.29028	100.0
474.29257	1.7
491.30130	5.2
497.28705	0.4
503.91223	0.3
515.29987	3.4
557.31067	0.4
581.31195	1.6
599.32306	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	2.6
65.03949	0.5
67.05508	12.0
69.03414	0.9
69.06734	0.5
69.07071	6.8
69.17934	2.0
69.18357	0.6
71.04998	1.7
71.08634	15.3
73.02911	1.6
76.26969	0.3
79.05017	0.4
79.05494	13.1
81.03400	1.2
81.07061	16.3
83.01321	0.3
83.04981	2.0
83.08150	0.5
83.08620	9.2
85.02908	3.1
85.06542	0.8
85.10186	9.0
89.06026	1.4
91.03975	1.7
91.05482	3.7
93.03389	0.3
93.07048	19.6
95.04973	2.8
95.08609	30.7
97.02898	4.4
97.06540	1.9
97.10172	3.8
98.21503	0.7
99.04456	3.0
99.11706	0.7
101.06021	0.3
101.49593	0.3
103.05463	0.5
103.07593	0.8
105.07034	3.8
107.04961	5.2
107.08602	15.7
108.71749	0.3
109.06503	1.2
109.09468	0.4
109.10164	6.1
111.04427	1.0
111.08099	0.8
111.11710	0.8
113.05973	0.6
113.09647	0.4
113.21854	0.3
117.07017	5.2
119.08586	6.0
121.06541	3.1
121.10147	8.4
121.11034	0.4
123.11711	2.1
123.76113	0.3
125.06007	2.2
127.03904	1.0
127.07514	0.4
129.07010	0.8
130.07777	1.1
131.08572	0.4
133.10120	1.1
135.08098	1.3
135.11697	32.5
137.13239	1.2
139.07535	1.2
143.08577	0.6
145.05026	0.7
145.10129	19.6
151.14812	0.3
153.12759	0.8
155.08601	0.4
163.05983	0.6
163.11186	45.7
164.11502	0.4
173.09566	0.4
181.12238	8.5
195.39542	0.3
196.92247	0.3
198.54216	0.3
209.11621	1.3
227.12788	48.4
239.23541	1.3
257.24734	2.4
283.15405	83.3
284.15744	1.1
298.38141	0.3
307.12119	0.3
313.27374	82.7
314.27734	1.2
365.22870	0.3
521.38397	100.0
522.38702	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	878.5475
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	2.5
65.03932	0.5
67.05511	19.6
69.03420	1.0
69.06737	0.5
69.07080	6.8
69.73074	2.4
71.05011	1.1
71.08643	10.6
72.08161	5.3
73.02929	0.5
73.06580	1.2
76.20128	0.4
79.05499	26.9
81.03429	2.9
81.06584	1.0
81.07063	17.7
83.04984	5.0
83.08632	5.8
85.02914	4.3
85.06524	0.8
85.10181	6.1
89.06039	0.9
91.03952	1.7
91.04900	0.6
91.05488	19.5
93.07053	24.0
95.04438	0.7
95.04983	6.6
95.08617	17.2
97.02874	2.2
97.06555	1.7
97.10207	3.3
98.20763	0.5
99.11697	0.5
105.04518	1.3
105.07040	13.9
107.04977	2.1
107.08596	5.9
109.06549	2.8
109.10164	5.8
111.08032	0.5
115.05473	0.5
117.07044	3.0
119.08579	8.7
121.06519	1.2
121.10147	1.8
123.08083	2.0
123.11728	1.5
127.03928	0.5
128.06244	0.8
129.07030	7.2
131.08630	0.8
133.10158	3.4
135.11728	0.8
143.08569	4.1
145.04999	0.8
145.10144	3.7
147.08049	0.7
147.11707	14.5
159.11731	0.8
161.09653	2.4
161.13297	4.4
163.05989	0.5
167.62694	0.4
171.11717	11.0
185.88664	0.4
189.12778	2.9
207.13835	12.0
239.23717	1.0
281.17490	43.9
282.17972	0.7
313.27380	38.5
314.27802	0.5
318.26233	0.4
421.10199	0.4
424.94550	0.4
519.40491	100.0
520.41040	2.0
537.41516	1.1
609.78668	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	3.7
65.21689	0.6
65.52764	0.6
67.05506	5.2
69.03429	3.3
69.07073	3.1
73.02924	3.8
78.89545	0.6
79.05506	4.1
81.03456	2.8
81.07055	5.3
83.04988	0.9
85.02914	4.6
91.03979	3.3
91.05479	2.6
93.07025	3.0
95.05000	1.6
95.08617	1.8
97.02903	4.4
97.10197	1.1
99.04467	1.1
101.02396	2.2
103.99899	0.6
105.07045	2.4
107.08614	2.1
109.02849	0.8
109.10146	1.0
117.05444	0.8
117.06986	1.1
119.08614	1.4
121.10168	0.9
127.03939	0.8
129.05511	1.0
131.08614	1.5
133.10164	1.5
135.08151	0.7
135.11729	1.6
145.10150	1.0
184.07416	1.8
185.04272	2.4
241.06902	0.6
243.08458	4.5
263.12598	0.9
301.09000	6.6
311.17966	0.7
315.10577	2.0
333.20401	4.3
369.15060	1.1
371.17010	1.3
373.11227	1.9
373.23569	1.0
385.18161	3.2
389.23013	1.0
413.17960	1.9
429.17285	1.1
431.24124	1.4
439.19427	7.8
453.21234	2.4
481.20465	5.1
530.97864	0.6
541.22534	6.8
551.28375	13.5
551.36395	1.1
593.29822	0.8
623.29974	4.2
625.31982	2.1
651.33191	1.3
665.37360	1.0
679.34442	0.7
693.37390	1.4
711.39105	1.0
723.39520	2.3
749.40814	20.1
791.41766	22.0
859.47852	3.9
860.48486	1.0
877.49091	100.0
878.48920	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	874.5523
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	2.4
65.03929	4.0
67.05508	100.0
69.03434	7.4
69.07072	30.8
69.82229	4.2
71.05007	5.9
71.08649	1.0
73.02898	2.0
77.03935	1.1
79.05495	56.9
81.03421	10.3
81.07061	79.7
83.04984	12.0
83.08621	17.0
85.02914	5.4
85.06560	4.8
91.03938	1.0
91.04903	1.7
91.05485	57.2
93.07047	63.7
94.07394	1.1
95.04962	11.2
95.08611	39.6
97.02885	4.9
97.06538	11.7
97.10169	9.3
99.04451	1.5
99.08091	3.8
101.06768	0.9
103.05499	2.4
105.04559	2.3
105.07035	45.7
107.04968	8.7
107.08600	43.0
109.02902	1.4
109.06517	8.3
109.10159	47.5
111.04460	1.3
111.08099	6.4
115.05418	1.3
117.06223	1.7
117.07023	24.7
119.08591	41.1
121.06499	5.3
121.10154	22.2
123.08073	5.6
123.11744	4.6
125.09637	10.7
127.03909	3.0
128.06215	1.9
129.05536	1.7
129.07014	12.7
130.07788	1.8
131.08577	25.2
133.06532	2.6
133.10141	34.2
134.10451	1.0
135.08073	5.2
135.11694	13.9
137.09676	4.3
137.13287	1.4
139.11194	1.7
141.06943	2.7
142.07773	1.9
143.08588	10.7
145.05013	1.5
145.06474	1.6
145.09262	0.6
145.10130	23.6
147.08025	3.2
147.11688	24.9
148.11992	0.9
149.09627	10.4
149.13268	13.5
151.11185	3.4
153.09061	1.7
154.07768	1.5
155.08557	4.6
155.10646	2.1
156.09286	1.1
157.10124	10.1
159.11705	17.1
161.09631	2.2
161.13260	11.3
163.11171	6.0
163.14778	2.5
165.12788	1.6
167.08549	1.5
169.10138	4.3
171.11694	10.0
173.04486	1.6
173.11743	9.3
173.13278	10.3
175.11241	1.5
175.14822	3.4
177.12752	3.2
179.08464	1.1
179.14294	3.2
181.10123	2.4
183.11674	6.6
184.07365	2.4
185.13237	6.2
187.11139	2.1
187.14839	2.1
189.11195	5.0
189.12743	1.4
191.14342	1.0
193.10162	1.1
195.11986	1.7
195.13831	5.6
195.17146	0.9
197.13235	3.8
199.14819	3.9
201.12766	1.3
201.16347	1.3
207.11819	1.2
207.13794	1.5
209.13263	2.1
211.14763	2.6
213.16434	1.7
215.17912	1.9
217.15887	1.5
221.13495	1.5
227.12752	13.8
229.14355	30.8
229.19499	2.7
231.21025	1.2
233.15419	1.6
239.17967	3.4
241.19511	4.7
247.20663	1.8
253.14291	1.6
255.15898	1.4
257.19073	9.7
259.20593	21.9
267.15903	1.9
269.17484	27.5
273.18600	1.7
275.20065	38.1
277.21759	1.0
283.20477	1.0
287.20242	1.5
291.19568	2.3
293.21091	3.8
301.21686	1.5
311.23453	1.4
313.21484	1.2
315.23047	1.6
331.22653	3.4
333.24255	18.2
349.23721	21.4
365.23651	1.4
367.24847	10.9
389.17920	1.0
423.27460	17.9
431.28311	1.2
433.30902	1.4
435.32483	1.9
439.26901	1.4
445.29407	2.2
451.32114	2.1
463.30527	11.0
469.33008	1.9
487.34183	4.5
489.35229	1.1
503.33679	6.1
505.35345	9.9
513.35614	3.1
515.37579	1.6
521.34216	1.4
525.35474	2.9
527.29980	1.2
527.37347	12.5
533.39624	1.3
543.36804	15.9
545.38251	3.0
560.37402	1.0
561.37781	6.5
607.43591	8.6
623.42511	2.1
625.44653	11.5
641.44073	2.2
643.45093	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	874.5524
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	4.1
67.05510	96.1
69.03425	7.2
69.06729	2.8
69.07073	37.3
70.19788	1.8
71.04986	6.7
79.05496	63.1
81.03436	10.0
81.07064	100.0
83.04979	11.3
83.08621	26.3
85.02888	4.7
85.06524	6.2
91.05483	53.5
93.06482	3.7
93.07049	66.3
95.04947	10.8
95.08070	3.0
95.08617	41.9
97.02895	3.6
97.06538	21.6
97.10181	14.9
99.08088	3.1
103.05515	2.4
105.04559	2.2
105.07038	51.5
107.04939	11.2
107.08599	52.0
109.06523	9.4
109.10167	37.3
111.08072	8.4
117.07024	19.2
119.08593	35.3
121.06497	5.3
121.10149	22.0
123.08091	4.9
123.11704	6.5
124.51757	2.0
125.09637	15.6
127.03957	4.4
128.06174	2.2
129.07002	7.8
130.07787	1.9
131.08585	27.6
133.10136	32.8
135.08055	8.2
135.11722	19.3
136.06146	3.3
137.05939	2.4
137.09622	5.9
141.06946	2.1
143.08565	6.2
145.06465	2.3
145.10129	23.9
147.11678	18.8
149.09641	16.7
149.13275	15.1
151.11130	2.4
154.51695	2.0
155.08536	5.4
157.10121	7.0
159.07927	2.0
159.11713	19.7
161.09610	3.6
161.13235	4.4
163.11182	11.0
165.12755	3.9
169.10121	4.5
171.11662	3.9
173.09595	2.3
173.11719	6.9
173.13281	9.4
175.11140	2.0
177.12733	5.8
179.14325	3.7
183.11618	4.7
184.07309	2.3
185.13306	3.1
187.14940	3.1
189.11205	7.0
189.12697	2.3
195.11618	2.7
195.13818	4.1
197.13257	4.6
201.12656	2.1
227.12770	23.8
229.10023	2.1
229.14397	18.9
239.17926	4.1
245.13914	2.9
247.20529	2.5
251.16324	3.3
255.16171	3.6
257.19034	12.2
267.15851	3.2
269.17493	34.9
275.20090	64.2
293.17947	2.3
293.21100	7.9
331.22757	2.8
349.23761	65.7
367.24814	15.5
409.25467	3.1
423.27505	19.9
445.29565	6.2
449.29211	12.0
451.31653	2.5
463.30658	30.3
503.33789	30.1
519.32983	5.8
521.34491	6.1
525.35480	7.7
529.35052	4.7
543.36884	63.9
561.37891	17.8
567.31134	2.4
605.41296	4.6
607.34637	4.4
623.43048	23.7
641.44305	19.7
687.41290	3.0
700.04791	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	872.5365
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	2.4
64.13058	1.2
65.03942	5.0
67.05510	100.0
69.03435	15.0
69.07074	52.0
69.07463	1.6
71.04424	1.3
71.05010	12.8
73.02910	3.9
73.06567	1.1
73.85484	1.3
75.21251	1.2
76.11750	1.0
77.03912	2.0
79.05502	77.8
81.03426	15.2
81.07063	94.3
82.07402	1.5
83.04995	14.3
83.08151	1.5
83.08626	20.1
84.08981	1.1
85.02910	9.0
85.06544	6.1
85.27821	1.0
87.04475	2.1
91.05486	66.8
93.07052	64.8
95.04983	20.2
95.08618	45.3
95.09240	2.1
97.02879	10.8
97.05921	2.9
97.06540	49.5
97.10180	19.2
99.04468	3.4
99.08099	4.3
101.09679	1.3
103.05480	2.9
105.04504	2.9
105.07041	52.9
107.04954	17.9
107.08601	50.7
109.02892	4.8
109.06527	16.8
109.10162	41.8
111.04448	2.6
111.08069	9.3
113.06005	2.1
115.05451	4.1
115.07564	10.8
116.06236	1.9
117.07021	24.3
119.04940	1.5
119.08591	34.2
121.06529	13.5
121.10146	19.8
123.04446	1.4
123.08093	9.8
123.11715	7.9
125.09637	16.3
127.03918	4.7
127.07578	1.4
128.06235	4.3
129.06996	12.4
130.07819	2.6
131.08577	28.6
133.06502	6.9
133.10141	36.7
135.08076	13.0
135.11711	16.0
137.09604	5.0
139.07533	2.4
139.11229	1.6
141.06992	4.3
142.07796	2.6
143.08542	11.9
145.06491	4.1
145.10130	24.3
147.08058	10.2
147.11708	15.0
148.49443	1.2
149.09642	13.1
149.13232	10.9
151.07657	1.1
151.11183	9.6
153.09113	3.3
154.07750	1.4
155.08582	5.2
155.10600	2.2
157.10175	9.0
159.08083	3.9
159.11696	15.3
161.09660	8.6
161.13304	6.0
163.11200	10.8
165.09074	1.3
165.12788	2.2
167.08597	1.8
169.10144	5.1
169.12300	1.5
171.10335	2.1
171.11627	7.0
173.04417	1.9
173.09641	2.8
173.11736	4.8
173.13280	5.4
175.11169	6.7
175.14897	1.7
177.09091	1.9
177.12718	5.8
179.10670	1.8
179.14346	1.9
181.10205	2.5
181.12224	2.3
183.11705	4.7
184.07425	1.6
185.09583	1.4
185.13275	4.5
187.11208	3.9
187.13196	1.1
187.14854	1.6
189.11234	7.9
189.12793	2.7
193.12221	1.4
195.11803	1.7
195.13792	5.8
197.13312	3.3
199.11226	1.6
199.14845	2.9
201.16386	1.2
203.14297	1.3
205.12302	1.5
207.13852	1.3
211.14911	1.9
215.14441	1.6
217.15901	2.9
217.19412	1.3
219.13860	2.8
221.15353	1.8
223.13226	11.2
223.14772	1.1
227.12782	18.4
227.17979	1.9
229.14380	21.4
229.19482	2.4
231.13821	1.7
231.17551	1.3
233.15364	3.1
235.84941	1.2
239.18018	3.2
245.13655	1.5
245.19022	3.7
247.20641	2.2
249.14742	1.9
251.16455	1.8
253.14342	19.0
255.15654	2.2
255.17935	1.5
257.19022	9.2
259.20621	1.3
263.20020	2.1
267.16013	3.8
269.17471	29.9
273.18530	31.3
275.20081	39.1
276.20273	1.7
289.17923	1.7
291.19553	70.6
293.21194	2.4
309.20816	1.5
329.21054	1.5
331.22726	2.1
333.24161	1.3
347.22220	12.1
349.23721	24.4
353.07224	1.2
365.23254	42.8
367.24808	8.8
377.19839	1.4
439.26807	2.1
449.29230	2.8
461.29028	1.9
463.30573	3.3
465.28262	1.6
479.30225	2.1
501.31940	1.7
513.35315	2.1
519.33215	45.6
525.35309	2.2
535.32062	1.6
541.35364	8.8
543.36969	9.0
544.37592	1.4
545.34705	5.2
559.36407	52.9
560.36938	1.5
561.37421	1.6
577.37476	2.8
581.38098	1.9
621.41290	5.2
639.42578	30.7
657.43616	18.0
703.41223	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	872.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	3.5
65.03943	5.4
66.04715	1.1
67.05509	94.1
68.05840	1.1
69.03435	11.8
69.07072	53.1
69.44251	3.8
69.44678	3.1
71.01357	3.2
71.04990	8.7
73.02905	2.5
79.05496	74.7
80.06304	1.0
81.02988	1.5
81.03427	21.2
81.07060	100.0
83.04985	19.4
83.08157	1.1
83.08626	18.0
85.02907	7.6
85.06556	5.1
87.04454	1.6
91.05485	71.0
93.07049	72.5
94.07384	1.0
95.04974	18.6
95.08614	45.2
97.02883	7.7
97.06540	23.8
97.10176	13.3
99.04453	3.3
99.08119	4.7
101.06007	0.9
101.89467	1.2
103.05463	2.5
105.04502	2.8
105.06318	2.3
105.07034	48.2
105.32349	1.0
107.04416	1.1
107.04976	13.5
107.08601	40.7
109.02886	3.3
109.06528	10.1
109.09463	1.9
109.10161	26.1
111.04453	2.7
111.08080	8.8
113.05979	1.5
113.09658	1.9
115.05427	3.4
116.06252	1.4
117.07027	18.9
119.04973	2.4
119.06085	1.2
119.08588	37.4
121.06520	8.4
121.10142	20.8
123.04441	1.4
123.08090	8.9
123.11717	7.0
125.09634	9.8
127.03916	4.6
128.06175	2.3
129.05490	3.4
129.07018	9.9
131.08575	26.4
132.05444	1.0
133.06512	3.9
133.10139	35.3
135.08081	7.9
135.11700	23.3
137.09627	10.7
139.11154	2.7
141.06966	4.4
142.07764	2.9
143.08566	8.4
145.04890	1.3
145.06526	2.4
145.10123	25.3
147.08044	4.1
147.11702	17.3
149.09627	23.8
149.13275	14.0
151.07491	1.5
151.11234	5.4
153.09276	0.9
155.08525	3.7
155.10660	2.4
157.08856	1.5
157.10141	8.9
159.08035	1.4
159.11691	17.0
161.09624	4.1
161.13213	6.6
163.11218	12.4
165.09091	1.9
165.12796	1.9
167.10748	1.5
169.10118	3.3
171.10245	2.2
171.11708	7.6
173.04541	2.2
173.09622	1.7
173.11719	5.9
173.13269	7.8
175.11195	4.6
175.14769	1.2
177.12747	6.9
179.14301	5.6
181.12224	4.0
183.11700	3.3
185.13269	3.1
187.11223	2.3
187.13188	1.9
187.14792	2.3
189.11203	5.3
189.12729	2.4
193.12247	4.0
195.11922	1.1
195.13800	5.9
197.13313	2.7
199.13200	1.6
199.14850	1.5
201.12698	1.6
203.14333	1.0
205.12227	2.3
205.15971	1.0
207.13766	1.3
209.13486	1.4
211.13228	1.5
211.14952	1.2
213.16470	1.9
217.15945	1.1
223.13196	1.6
227.12682	5.4
227.18053	1.3
229.14281	8.7
229.19537	2.5
239.17958	4.0
243.15926	5.5
245.13748	1.3
245.18965	2.2
247.20576	2.6
248.54744	1.1
251.16364	1.3
253.14308	2.7
253.18034	2.9
255.15817	15.3
257.18985	10.1
259.20627	1.4
265.36990	1.0
267.15900	4.2
269.17484	19.3
273.18610	5.2
275.20071	39.9
285.17017	4.6
291.19556	6.7
293.20972	3.5
303.23199	1.3
313.21707	2.0
321.24252	1.5
331.22586	2.2
347.22272	1.3
349.23749	33.2
365.23178	4.3
367.24719	2.3
373.03091	1.0
391.73303	1.0
409.25922	3.5
423.27448	8.9
431.27991	1.4
435.27545	2.1
437.29468	1.2
445.29245	1.6
447.31287	1.8
449.28943	4.3
463.30447	1.5
503.33185	2.5
517.35864	1.2
525.35889	2.0
527.37506	1.3
529.35266	6.4
541.34937	1.3
543.36768	16.5
559.35822	2.0
623.43042	5.0
639.42627	1.2
641.44049	1.6
692.43774	1.3
872.54059	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5365
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	3.4
62.37562	0.9
65.03950	5.9
67.05506	100.0
69.03427	12.4
69.07069	71.3
69.86339	1.6
69.86762	3.6
71.01359	1.3
71.05000	8.8
73.02911	3.2
77.03927	1.7
79.05495	73.1
81.03424	18.2
81.07060	86.1
83.04985	14.8
83.08623	21.5
84.13913	0.8
85.02911	8.7
85.06540	5.5
87.66447	0.8
90.77821	0.9
91.05482	76.6
93.07045	68.2
95.04974	18.9
95.08608	51.4
97.02892	7.7
97.06535	27.6
97.10172	17.5
98.21516	1.0
99.04446	2.4
99.08089	3.4
101.05969	1.0
103.03973	0.9
103.05447	2.3
105.04507	2.4
105.07036	52.8
106.31171	0.9
107.04303	1.1
107.04964	14.5
107.08598	46.1
109.02888	3.3
109.06526	8.1
109.10158	38.3
109.10930	1.5
111.04438	2.5
111.08084	8.5
113.06009	1.4
113.09611	2.2
115.05462	3.4
116.04768	1.0
116.06227	1.0
117.07023	24.4
119.04931	1.0
119.08584	42.9
121.06504	7.2
121.10145	23.2
123.08086	7.9
123.11706	5.0
125.09634	17.3
127.03912	5.6
128.06226	2.7
129.05522	4.9
129.06996	11.5
130.07770	1.4
131.08577	27.4
133.06496	3.6
133.10138	36.5
135.08089	6.0
135.11693	18.7
137.09616	19.1
139.11174	2.8
141.07024	4.4
142.07785	1.2
143.08577	10.1
144.09346	1.9
145.06511	2.6
145.10127	23.6
147.08063	3.9
147.11684	18.4
149.09624	30.7
149.13268	10.8
151.11176	5.4
153.09145	2.1
155.08565	4.4
155.10648	4.6
157.06505	0.9
157.08868	1.7
157.10124	9.2
159.08035	2.0
159.11687	19.3
161.09615	4.6
161.13246	10.8
163.07664	0.9
163.11189	16.3
165.09126	2.5
165.12779	2.5
167.10635	1.6
169.10194	5.5
171.10179	3.8
171.11688	8.9
173.04391	2.1
173.09639	1.2
173.11748	8.2
173.13272	9.5
175.11185	4.9
175.14825	1.8
177.12778	8.2
179.14343	8.8
181.12277	2.6
183.11710	6.5
185.09572	1.1
185.11734	1.6
185.13193	4.9
187.11201	3.7
187.14783	2.1
189.11227	11.0
189.12807	3.1
191.14247	1.2
193.12195	1.9
195.11884	2.0
195.13831	3.6
197.09564	1.0
197.13232	3.8
199.11278	1.3
199.13303	2.2
199.14909	2.2
201.12633	1.9
201.16370	1.3
203.14378	1.3
205.12254	2.2
207.13808	1.2
209.13367	1.8
211.14906	2.0
213.12956	1.4
213.16451	1.5
215.14398	1.2
215.17883	1.6
217.15973	1.2
219.13626	1.8
223.13161	2.3
227.12755	16.8
227.18040	1.7
229.14337	16.7
229.19501	3.6
231.17422	1.4
233.15387	2.2
235.17007	1.5
237.16367	1.2
239.18042	4.8
241.10931	1.3
243.15884	1.6
245.13712	1.5
247.20523	4.2
253.14444	2.6
253.17998	3.4
255.15712	6.3
257.19016	11.6
259.20520	2.2
267.15897	2.7
269.17459	16.5
273.18594	4.9
275.20062	57.2
291.19562	8.8
293.21204	4.7
301.21799	1.1
313.21509	1.1
321.24448	2.3
331.22720	3.4
333.24133	1.3
347.22012	1.2
347.55563	0.9
349.23737	53.9
350.24054	1.3
365.23123	6.1
367.24936	1.9
373.18680	1.1
383.24451	1.9
399.23593	1.7
407.27850	1.2
409.25827	3.9
413.21777	1.1
423.27545	7.9
431.27740	2.5
437.29364	1.2
445.29459	2.1
447.31268	1.4
449.29794	1.1
463.30780	1.1
503.33701	5.1
511.34360	1.8
517.35187	1.6
519.32965	0.9
525.35840	2.0
527.37384	5.4
529.35321	7.3
531.37604	1.2
543.36890	19.4
559.35895	2.2
561.37744	1.8
623.34930	1.1
623.43231	14.9
641.43951	3.9
872.53949	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	872.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	6.2
65.03946	6.7
67.05508	100.0
68.05840	1.3
69.03434	12.7
69.07072	72.0
69.94580	0.9
71.01354	1.8
71.05003	6.1
73.02903	3.6
77.03925	1.9
79.05496	82.2
81.03424	14.5
81.07059	83.0
82.07391	1.1
83.04993	15.1
83.08215	1.4
83.08623	15.5
85.02917	9.3
85.06529	3.9
91.03925	2.3
91.05483	87.9
92.05776	1.7
93.07044	73.4
94.07336	1.5
95.04975	17.6
95.08610	56.2
96.04488	1.0
97.02900	10.9
97.06534	16.7
97.10173	12.5
98.09699	1.5
99.04472	2.5
99.08092	4.0
103.03974	1.0
103.05463	2.5
105.04523	3.3
105.07036	73.2
106.07349	1.4
107.04964	10.5
107.08600	38.9
109.02862	2.6
109.06523	8.4
109.10160	31.8
111.04425	1.9
111.08115	6.7
113.09619	1.8
115.05444	4.3
116.04669	1.2
117.07016	30.3
117.07857	1.5
119.04925	2.1
119.08585	47.9
120.05687	1.0
121.06503	4.9
121.10152	22.0
123.04519	1.3
123.08080	6.4
123.11726	4.0
125.09636	11.4
127.03905	4.6
127.07558	1.4
128.06200	4.9
129.05515	5.9
129.07014	14.3
130.07800	2.1
131.08574	36.9
133.06496	3.3
133.10136	38.4
134.10484	1.1
135.08054	6.6
135.11684	16.1
137.09625	10.1
139.11201	1.4
141.06979	4.6
142.07805	3.0
143.08562	16.2
144.09329	1.7
145.05005	1.3
145.06454	2.2
145.10126	27.7
147.08066	4.1
147.11690	22.1
149.09634	21.9
149.13271	9.1
151.11159	4.6
153.08936	1.4
154.07809	1.2
155.08560	7.5
155.10628	1.5
157.08881	1.9
157.10138	13.6
159.08022	2.5
159.11691	23.5
161.09654	4.3
161.13260	13.3
163.11169	9.2
163.14966	1.2
165.12733	1.5
167.08572	2.6
169.10115	9.4
171.07973	1.7
171.10245	2.1
171.11699	11.5
173.04494	1.5
173.09633	1.9
173.11755	5.4
173.13269	8.7
175.11163	4.5
175.14809	2.9
177.12743	5.4
179.14380	5.1
181.10117	2.8
183.11694	10.0
185.11761	1.5
185.13249	7.4
187.11205	2.5
187.14848	5.1
189.11200	5.3
189.12767	3.4
193.12215	1.2
195.11656	3.8
195.13783	2.9
197.13289	6.2
199.11395	1.6
199.13271	2.4
199.14854	3.3
201.12762	2.0
203.14287	1.5
205.12373	1.4
206.10982	1.3
207.11824	1.3
207.13814	1.5
209.13226	3.4
211.14844	3.9
213.16423	2.4
215.17944	2.0
217.15857	1.4
221.13182	1.7
223.14961	2.1
227.12787	3.4
227.18132	1.4
229.14230	5.9
229.19354	1.4
229.43983	1.1
233.15468	1.1
233.19131	1.2
235.14973	1.8
235.17076	1.1
237.16470	2.5
239.18044	3.6
241.19504	4.0
253.14333	3.6
253.17914	2.1
254.14546	1.8
255.15865	1.3
257.18961	7.0
259.20682	10.4
267.15961	1.8
269.17441	8.6
271.20306	0.9
273.18497	3.1
275.20084	25.9
277.21683	1.6
291.19556	7.3
293.21173	2.7
297.91632	1.1
313.21606	2.2
315.23126	2.6
321.24396	1.4
331.22720	1.7
333.24277	7.2
349.23779	22.8
354.24942	1.1
365.23306	3.1
383.24432	1.4
403.29733	1.2
421.31049	1.7
423.27570	1.5
439.31845	2.8
445.29764	1.3
469.33234	1.2
487.33759	2.2
495.34427	2.4
513.35797	22.7
515.37769	2.0
527.37299	2.5
529.35358	1.4
543.36340	5.4
577.36945	1.2
607.43433	10.6
625.44672	8.0
641.43256	1.9
649.91730	1.1
737.76373	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
63.04295	0.8
65.97649	0.8
66.58620	0.8
67.05177	1.2
67.05509	17.3
69.07072	6.0
69.55569	4.0
70.95870	6.7
71.08296	0.9
71.08641	11.1
71.93006	2.1
72.93790	15.1
74.95373	1.6
79.05500	9.9
81.02946	0.8
81.03414	4.5
81.07056	16.9
82.95851	1.2
83.08620	5.7
85.10169	6.6
88.96875	2.1
89.94038	1.4
90.20535	0.8
90.94830	9.0
91.05478	5.7
93.07047	9.1
95.04956	1.5
95.08611	17.8
97.06527	0.8
97.10158	3.0
97.84021	0.9
98.97571	0.9
100.96890	1.9
102.94822	3.3
103.03968	1.4
104.96355	1.4
105.07012	3.6
107.08588	3.6
108.95842	1.0
109.02877	1.5
109.10167	8.7
113.96392	4.7
114.94843	1.5
116.96370	3.5
117.07053	0.9
118.94278	1.6
119.08575	2.6
120.95808	1.1
121.10135	3.0
123.11716	2.7
126.98425	4.2
128.96375	6.3
130.97908	3.1
131.08543	1.8
132.95853	23.4
133.10156	1.7
134.97385	2.2
135.11697	2.2
136.93098	2.0
140.96330	3.0
140.99933	0.9
142.94167	1.3
142.97896	2.3
144.95822	9.9
144.99446	2.4
145.10147	1.3
146.97408	9.8
148.98958	3.4
149.13318	1.0
150.96890	6.7
154.94200	5.3
154.97897	1.8
155.97461	2.0
156.95822	4.2
158.97412	12.0
160.98965	1.5
162.96846	4.9
164.98474	38.0
165.03596	1.6
165.97102	1.9
166.97929	1.4
167.97430	1.2
168.95805	1.2
169.98997	1.7
170.97426	11.0
172.95212	4.5
172.98952	2.3
174.96919	1.7
175.02075	1.0
176.98468	4.4
177.95641	1.1
178.97882	2.6
181.98972	2.6
182.97409	4.2
183.01053	1.2
183.98187	1.1
184.99011	4.8
186.96887	1.1
187.00546	1.2
188.00082	5.0
188.98442	7.7
189.03642	0.9
190.96317	1.1
190.99998	1.1
192.97937	2.1
196.92018	2.0
196.98982	1.8
198.96902	49.8
200.98463	5.6
203.00000	3.8
206.99496	9.0
213.03568	1.9
214.93112	5.0
215.00000	2.4
215.05139	1.5
216.97926	10.2
218.99471	4.8
222.93564	1.9
223.04141	1.3
224.98305	1.6
227.05284	2.2
229.06810	1.2
230.01054	0.9
230.99516	8.3
233.01100	12.3
239.23682	1.3
239.99573	3.7
240.94638	1.8
241.05161	2.4
242.99580	1.2
244.94174	1.3
245.00983	2.2
252.94637	1.6
254.99483	2.0
255.06813	2.6
262.93094	26.6
270.95712	6.0
273.00552	4.5
275.02008	1.2
275.07172	1.1
279.08188	1.7
280.94186	14.2
280.97144	2.0
281.09891	4.4
283.11337	3.2
285.94681	4.2
289.08908	1.2
294.95563	1.5
298.95206	25.5
298.98358	2.1
303.95667	1.4
307.13553	2.5
309.15125	2.1
311.16699	2.0
312.96811	4.6
313.27380	53.1
316.96320	1.0
316.99506	1.5
317.17859	3.3
318.95685	1.7
321.96741	4.0
327.10410	1.2
327.15988	1.4
329.12003	5.2
329.17728	10.0
331.13452	11.9
333.15112	100.0
334.15488	2.4
335.25806	29.5
336.26321	1.0
336.96835	9.5
347.18988	4.6
351.16180	1.2
352.19315	1.4
354.97791	14.7
363.25381	1.6
372.16092	1.4
372.98877	32.0
374.17902	2.1
385.20358	2.5
396.00452	3.3
407.18805	12.9
414.01379	3.9
449.19849	2.8
501.15927	1.5
517.23071	1.7
519.17212	2.5
537.17975	1.7
541.15503	1.9
573.48816	6.9
575.19519	1.7
593.20825	15.3
597.18176	1.8
611.21881	60.0
612.21893	1.3
615.19202	41.4
629.22772	1.3
633.20313	63.6
634.21436	2.5
645.41730	3.1
652.24164	9.1
827.18970	1.0
853.43732	1.8
871.44397	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	870.5575
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	6.0
65.03932	5.6
67.05509	100.0
69.03440	12.9
69.06731	3.4
69.07073	54.1
69.82703	6.2
69.83107	6.0
70.12485	2.0
71.04992	34.3
71.08628	3.6
72.08183	2.5
73.06542	4.8
79.05498	86.2
81.03426	20.8
81.07061	98.4
83.04989	16.2
83.08618	20.6
83.49375	2.2
85.02906	14.4
85.06548	6.3
91.03963	3.6
91.05485	91.0
93.07047	81.5
95.04965	15.7
95.08612	59.7
97.02896	12.5
97.06525	19.8
97.10175	8.7
99.04443	3.7
99.08103	10.9
105.04552	3.7
105.07038	74.1
107.04948	12.6
107.08599	50.3
109.06513	10.2
109.10164	31.6
111.04407	3.1
111.08064	7.7
113.09652	8.3
115.05489	4.1
117.07016	34.4
119.07800	3.9
119.08592	52.9
121.06517	9.2
121.10155	35.1
123.08065	9.2
123.11729	5.7
125.09658	6.8
127.03919	5.4
128.06279	3.6
129.05530	4.5
129.07018	20.0
130.07803	4.9
131.08578	43.0
133.06506	3.7
133.10143	46.0
134.10411	3.5
135.08118	5.9
135.11696	18.1
137.09608	5.2
141.07004	7.1
141.83673	2.2
142.07774	4.9
143.08549	17.2
144.09361	4.0
145.06470	4.5
145.10124	33.2
147.08121	3.2
147.11710	27.2
149.09634	19.6
149.13264	14.3
151.11154	7.3
155.08588	9.1
157.10123	20.8
159.11713	25.2
161.09615	4.5
161.13245	13.8
163.11218	13.7
163.14830	3.3
165.12802	3.7
167.08640	3.9
169.10121	11.6
171.11703	17.8
173.04529	4.1
173.11842	3.6
173.13161	13.3
175.11284	3.2
175.14908	4.8
177.12730	8.0
179.14320	3.1
181.10138	4.2
183.11696	9.2
185.11707	2.9
185.13228	11.7
187.11198	2.9
187.14877	4.4
193.10304	3.0
193.12332	3.1
195.11743	3.6
195.13741	4.2
197.13260	8.1
199.14839	5.7
208.01120	2.3
209.13284	3.2
211.14787	4.3
225.16566	2.9
227.12712	5.2
227.18005	3.6
229.14302	3.5
229.19565	2.8
233.15213	3.5
239.18013	5.3
241.19493	5.2
247.20526	3.0
253.14323	18.0
254.14703	9.2
257.19046	9.0
259.20654	11.6
267.15991	4.0
269.17419	16.5
273.18622	4.1
275.20065	32.7
293.21027	2.8
311.23578	2.4
313.27356	4.3
331.22946	2.9
333.24341	17.0
335.25729	5.8
349.23682	28.6
357.23984	2.6
435.32382	3.2
445.29565	2.7
463.30402	3.9
464.39349	3.0
477.00809	2.9
509.36514	3.0
510.38614	3.4
511.39063	3.5
513.35950	13.0
513.42194	2.5
515.37598	2.9
527.37323	18.8
543.36633	11.5
567.56683	2.7
607.43903	14.6
625.44330	12.2
758.15369	2.7
836.93042	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	870.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	1.8
65.03946	4.7
67.05506	68.9
69.03431	10.8
69.07070	49.8
70.60670	2.3
71.01340	2.5
71.04434	1.1
71.05012	7.6
73.02929	1.1
74.47712	0.8
77.03949	1.1
79.05495	53.8
80.05858	1.0
81.03423	13.9
81.07057	57.7
82.07375	0.8
83.04987	11.4
83.08623	14.5
85.02906	3.5
85.06530	3.9
91.05480	56.3
93.03384	1.2
93.07045	48.4
95.01322	1.7
95.04969	26.5
95.08608	36.6
97.02896	10.4
97.06532	17.4
97.10176	13.3
98.07293	1.5
99.04460	1.6
99.08095	1.9
100.50311	0.8
103.05487	3.0
105.04523	2.0
105.07034	46.3
107.04955	31.1
107.08593	29.4
108.05754	1.8
109.02861	1.5
109.06520	12.6
109.10162	22.7
111.04436	4.5
111.08083	7.8
112.05228	1.6
113.06010	2.7
113.09586	1.0
115.05428	3.8
116.06268	1.1
117.07022	18.1
119.04947	3.8
119.08584	34.4
120.05717	1.0
121.06502	9.0
121.10144	15.3
122.07280	5.4
123.04435	3.1
123.08077	7.8
123.11708	3.8
125.06003	1.2
125.09623	10.0
127.03886	1.2
128.06224	5.4
129.05482	2.8
129.07001	11.2
130.07732	1.1
131.04915	1.7
131.08569	24.2
133.06509	9.7
133.09129	0.9
133.10138	19.1
134.07224	1.0
135.08057	10.2
135.11681	10.8
137.06000	1.0
137.09619	11.7
139.11105	0.9
141.06979	3.8
142.07791	1.5
143.08568	10.3
143.10577	0.9
144.09361	1.1
145.06479	4.6
145.10117	18.5
147.08060	15.2
147.11699	12.4
148.08887	1.2
149.05942	1.2
149.09613	16.4
149.13261	7.2
151.07562	1.1
151.11192	2.7
153.09146	2.3
155.08560	4.0
155.10693	1.1
157.06487	0.8
157.10141	7.8
159.08054	3.6
159.11684	13.0
161.09653	9.0
161.13284	6.9
162.10365	1.7
163.11182	10.3
165.09091	4.2
169.10123	3.4
171.11659	6.7
173.09612	2.6
173.11748	4.0
173.13255	5.8
175.11119	5.3
175.14861	1.4
177.09189	1.6
177.12718	5.1
179.10641	1.5
179.14287	3.0
181.10257	1.3
183.11681	3.1
185.13220	4.5
187.11177	3.4
187.12909	0.7
187.14804	2.0
189.11218	5.5
189.12764	1.9
191.10709	1.4
191.14417	0.9
193.12186	1.8
195.11827	1.8
195.13800	3.5
197.13297	3.3
199.14818	2.3
201.12724	1.6
203.14244	2.1
205.12250	3.8
205.15811	1.1
207.13890	1.2
211.13269	2.0
213.12747	1.2
213.16380	1.0
215.14302	2.2
217.15869	0.9
223.13266	17.5
227.12729	6.1
227.17883	1.1
229.14227	4.5
231.13779	1.4
231.17505	1.0
233.15434	4.2
239.17957	2.6
241.19669	1.6
245.19096	2.5
247.20563	2.5
249.14861	3.7
253.14352	2.2
253.18013	1.5
255.17570	1.8
257.19022	6.6
259.20639	2.6
261.14822	2.0
263.20129	1.1
267.15863	2.3
269.17523	7.2
271.17142	1.3
273.15482	1.1
273.18500	21.9
275.20062	22.2
279.15921	3.2
283.15396	1.3
289.18069	3.0
290.18738	4.5
291.19540	100.0
293.21115	2.2
297.16986	1.2
307.19025	2.5
320.09583	1.0
321.24261	1.0
323.18600	1.3
325.19955	1.1
331.22702	2.5
333.24219	3.2
347.22150	2.9
349.23737	28.8
363.21442	1.3
365.23254	27.9
381.22757	8.7
383.24323	1.4
422.91772	1.0
461.28897	3.1
501.32303	1.9
519.33307	11.8
529.31177	2.2
534.90295	1.0
541.34918	1.6
543.36755	5.2
559.36194	2.3
575.35852	5.4
581.38232	1.2
621.41058	2.3
623.42877	1.8
639.42523	34.1
655.42047	3.0
657.43243	2.6
739.09821	1.0
845.94586	1.0
870.16846	1.0
870.42450	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02828	4.2
61.03168	1.4
67.05402	6.0
67.05790	1.2
69.03323	3.0
69.06969	2.0
69.96568	0.6
71.04898	0.9
71.54459	0.8
73.02810	3.6
79.05379	7.4
81.03306	3.8
81.06946	6.4
83.04899	1.6
83.08508	2.3
83.08957	1.0
85.02782	5.2
91.03834	3.0
91.05357	7.7
93.06924	8.2
95.04872	1.6
95.08496	4.1
97.02776	4.4
97.06435	0.9
99.04375	1.2
101.02258	2.1
103.83492	0.6
105.07033	5.5
107.04851	0.9
107.08459	3.3
109.02777	1.4
109.06393	1.0
109.10066	1.3
111.08011	0.7
115.03802	0.7
117.06935	1.6
119.08444	3.4
121.06512	0.7
121.10052	1.5
123.07928	0.9
125.09512	0.7
127.03775	2.1
129.06870	2.6
131.08453	0.9
133.10011	2.0
135.11598	0.8
143.08467	1.7
145.04843	0.7
145.10020	1.5
147.11661	3.0
161.09497	0.8
161.13231	1.4
171.11551	2.2
185.04059	2.0
189.12599	1.0
203.05110	0.8
207.13701	0.8
231.43657	0.7
243.08357	4.2
247.13104	5.3
250.21574	0.6
273.14587	1.5
281.17334	2.4
287.16153	0.9
301.08911	1.4
303.15607	1.3
333.20279	1.2
371.16553	0.9
373.11194	1.0
375.17743	0.6
435.19287	1.2
437.21521	1.1
453.20898	1.7
465.20984	46.0
509.28787	2.0
527.29663	2.5
533.27118	4.4
537.23230	2.2
551.28583	4.3
593.29279	1.4
595.35321	0.8
659.34326	3.7
663.33844	1.6
677.35071	9.2
677.45563	1.0
687.34967	0.8
688.34418	1.8
689.35107	98.7
690.35431	3.3
705.34729	4.8
723.35071	0.9
745.40784	2.3
757.41327	33.1
758.42169	1.5
760.45032	0.8
763.42548	1.9
775.41986	100.0
776.42426	3.5
825.47784	0.8
843.47577	5.3
861.48096	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	861.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02843	4.1
65.03887	0.5
67.05412	5.3
69.03336	3.5
69.06976	3.0
69.21618	4.9
71.35351	0.4
73.02823	3.4
79.05390	5.7
81.03310	2.5
81.06953	6.5
81.07468	1.1
83.04906	1.2
83.08516	1.3
83.15582	0.5
85.02796	4.5
85.39471	0.4
91.03857	2.8
91.05477	4.2
93.06937	5.5
95.04868	1.3
95.08498	4.1
97.02783	4.7
97.03462	1.1
97.06435	0.7
97.10100	1.1
99.04391	0.7
101.02269	1.9
105.06916	3.4
107.04903	0.7
107.08488	2.0
109.02825	1.0
109.06422	0.9
109.10053	1.0
117.06944	0.8
119.08596	2.4
120.58186	0.5
121.06460	0.6
121.10039	1.3
127.03786	1.8
129.06883	1.3
131.08508	0.8
133.10033	1.2
135.11610	1.1
145.10025	1.1
147.11594	2.0
149.09508	0.5
159.11591	0.7
161.13147	1.1
161.91763	0.4
163.11070	0.7
171.11630	1.2
185.04097	1.0
189.12613	0.7
190.81831	0.4
203.05150	0.7
207.13737	0.8
241.06636	0.6
243.08440	5.0
247.12912	1.9
273.14380	0.6
275.19937	0.5
281.17303	0.7
301.08929	1.7
315.10519	1.1
333.20306	4.6
350.35776	0.6
371.16870	0.6
373.23572	0.7
385.18304	0.7
389.23038	1.0
413.17725	0.8
439.19382	1.5
453.21008	2.0
465.21017	16.6
465.27612	0.8
481.20206	1.0
495.22058	0.6
525.23236	1.7
533.27484	1.4
535.28754	1.6
537.22681	0.7
551.28375	12.1
552.29004	0.6
593.29840	0.7
595.35461	0.6
607.30499	0.7
613.37238	1.3
623.30420	1.1
641.36743	0.8
651.32849	0.8
663.34094	1.0
677.36224	0.7
695.39111	0.9
699.44958	0.6
705.34729	2.1
723.35211	1.1
745.40826	1.9
747.42035	0.6
763.43036	3.2
774.41925	1.1
775.42407	100.0
776.43066	3.2
843.33411	1.0
843.48480	10.8
861.49243	50.2
862.50244	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	861.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02832	3.4
61.03174	0.8
65.03864	0.5
67.05409	5.3
67.05801	0.8
68.46968	0.4
69.03331	4.1
69.06972	2.4
69.07371	0.7
71.01269	0.6
71.04908	0.8
73.02820	3.6
77.34585	0.3
79.05388	6.1
79.05905	0.7
81.03313	2.9
81.06953	6.1
81.07465	0.5
83.04868	1.0
83.08524	1.1
85.02795	5.4
87.04333	0.5
91.03844	3.6
91.05371	6.0
93.06934	5.6
95.04861	1.6
95.08494	3.1
96.25616	0.4
97.02782	5.1
97.03449	0.9
97.06435	0.8
97.10105	0.9
99.04375	0.7
99.08001	0.5
101.02261	2.4
103.03895	0.4
105.06909	3.8
107.04868	0.9
107.08463	2.4
109.02744	1.1
109.06445	0.7
109.10052	0.9
113.90752	0.4
117.06903	1.1
119.08586	2.7
121.06387	0.4
121.10045	1.4
123.07989	0.8
127.03779	1.7
129.06950	0.8
131.08441	1.2
133.10138	2.2
133.31084	0.4
135.11540	1.7
143.08551	0.7
145.10017	0.9
147.11586	1.3
149.13150	0.7
150.31676	0.4
159.11594	0.7
161.13162	0.8
163.11031	0.6
171.11565	1.1
184.07248	0.5
185.04128	1.0
189.12706	0.5
203.05125	0.6
204.19417	0.4
207.13721	0.5
210.94124	0.4
229.07509	0.4
243.08403	3.9
247.12991	1.8
252.83319	0.4
275.19852	0.4
281.17487	0.5
287.16104	0.4
301.08936	1.4
303.15683	0.7
303.19006	0.6
315.10190	1.0
333.20425	3.3
369.15005	0.4
371.16675	0.8
373.23416	0.7
376.68350	0.4
389.22711	0.7
429.17072	0.4
431.07700	0.4
439.19104	3.1
453.21121	3.2
465.21033	14.2
469.20474	0.8
481.20642	0.8
533.27087	1.1
535.29053	2.0
541.22546	0.7
549.27844	0.5
551.28320	14.4
553.28845	0.5
595.36542	0.6
613.37146	1.1
641.37372	0.8
651.33368	0.8
663.33417	1.1
664.34668	0.6
677.34839	1.1
705.34766	3.0
723.35999	0.8
733.41205	4.7
734.41962	0.8
745.41266	2.6
747.43018	0.7
763.42212	4.1
774.40936	0.5
775.42395	100.0
776.42493	3.7
797.07623	0.5
843.48730	14.5
844.50354	0.6
861.49384	54.1
862.49615	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	861.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	4.0
62.37236	0.3
67.05511	4.4
69.03433	2.6
69.07072	4.2
71.05006	0.8
71.53390	0.3
71.53771	0.4
73.02918	3.1
79.05506	3.5
81.03430	2.8
81.07056	4.4
83.04991	0.6
83.08648	1.3
85.02912	4.0
91.03963	1.8
91.05502	3.2
93.07062	3.3
95.04958	1.0
95.08604	2.5
97.02898	3.1
97.06541	0.8
97.10197	0.8
99.04465	0.8
101.02398	1.5
103.03957	0.5
105.07037	2.1
106.58519	0.3
107.05011	0.9
107.08582	2.1
109.02898	1.2
109.10169	1.6
111.08088	0.4
117.07037	1.3
119.08558	1.9
121.10172	1.2
123.08050	0.6
125.09686	0.7
127.03944	1.0
131.08603	1.1
133.10141	1.3
135.11771	0.6
136.06175	1.7
145.10124	0.6
147.11714	0.7
157.10159	0.5
159.11684	0.5
184.07329	0.6
185.04300	0.6
192.06474	0.4
203.05461	0.6
224.80524	0.4
234.16113	0.4
243.08434	4.1
243.10368	0.3
259.07846	0.6
301.09042	1.1
303.19186	0.5
315.10587	0.6
333.20389	3.3
389.23135	0.9
439.19666	1.3
453.21255	1.2
501.32050	0.4
540.08063	0.5
541.22894	0.4
551.28369	11.7
623.30621	0.9
699.44281	0.4
861.49731	100.0
862.49805	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	861.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	4.2
65.03946	0.5
67.05507	3.6
69.03432	2.8
69.07077	2.6
69.88351	1.1
71.01379	0.5
71.04988	0.8
73.02925	2.7
79.05495	3.5
81.03415	2.3
81.07056	5.3
83.04996	0.7
83.08629	0.9
85.02908	3.6
85.06544	0.3
86.23888	0.2
87.04477	0.4
88.32575	0.2
91.03956	2.0
91.05479	4.0
93.07052	3.6
95.04985	0.9
95.08611	2.5
97.02885	3.5
97.06554	0.8
97.10157	0.7
99.04472	0.8
100.70466	0.2
101.02382	1.5
105.07046	2.1
107.05038	0.3
107.08592	2.0
109.02869	0.5
109.06554	0.4
109.10161	1.2
111.08123	0.3
113.36050	0.2
117.07040	1.0
119.08597	1.4
121.06547	0.4
121.10186	0.9
123.08099	0.4
125.09602	0.3
127.03942	0.9
129.05566	0.2
131.08586	0.6
133.10123	1.3
135.11703	1.3
136.06229	0.7
136.91490	0.2
145.10176	0.6
147.11716	0.8
149.09639	0.3
149.13304	0.3
150.49365	0.2
152.05739	0.3
159.11777	0.5
161.45198	0.2
163.11301	0.3
177.12904	0.3
181.12210	0.3
185.04265	0.7
203.05350	0.5
239.34238	0.2
243.08418	3.7
251.12549	0.3
259.08017	0.3
266.80157	0.2
275.20166	0.3
277.14084	0.4
301.09058	0.3
303.19595	0.3
333.20331	3.4
333.23608	0.3
358.12045	0.2
389.22791	1.1
439.19455	2.6
453.20966	2.5
469.20624	0.9
551.28320	12.3
552.28613	0.3
623.31091	0.3
749.41138	0.5
763.42938	0.8
861.49670	100.0
862.49744	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	859.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.7
67.05508	6.2
69.03428	2.9
69.07081	2.8
71.05006	0.5
71.53177	0.4
71.65053	0.4
73.02926	4.7
79.05495	6.5
81.03428	3.0
81.07060	7.5
83.04541	0.4
83.04998	2.0
83.08637	1.3
85.02910	4.1
91.03963	2.9
91.05493	7.5
92.05866	0.5
93.07056	5.9
95.04989	1.8
95.08611	4.8
97.02900	4.5
97.06558	0.9
97.10195	0.7
99.04465	0.7
101.02406	2.1
105.07042	4.9
107.04990	1.2
107.08600	2.8
109.02896	0.7
109.06545	1.3
109.10186	2.0
117.07066	1.2
119.08578	2.9
121.06503	1.0
121.10178	1.1
123.08130	0.8
127.03960	1.4
129.05515	0.8
129.07063	1.8
131.08627	1.3
133.10158	3.6
135.11771	1.0
143.08635	0.7
145.10191	1.5
147.11716	2.9
149.09616	0.5
151.11227	1.2
155.08728	0.6
157.10211	0.5
159.11790	0.5
161.09706	0.8
161.13274	0.7
163.11255	0.5
171.11755	1.9
175.11189	0.7
185.04254	1.1
193.12335	1.0
195.13957	0.5
199.17216	0.5
203.05397	0.9
207.13921	0.7
243.08394	3.7
243.10548	0.5
247.13187	1.6
249.89511	0.5
273.18582	0.8
281.17670	1.0
287.16510	0.5
313.17868	1.6
315.10651	0.8
331.18872	5.4
357.15240	0.6
360.51422	0.5
369.15469	0.8
373.11258	0.6
451.19400	2.2
465.20972	16.2
531.25635	4.9
533.27502	1.2
537.23315	1.4
549.26752	5.6
551.28491	2.1
593.29437	1.0
633.31287	0.7
661.31775	0.9
675.33844	1.9
703.32996	2.3
704.34576	0.6
721.35046	0.7
729.38275	0.6
730.74005	0.5
743.39935	3.1
745.40698	0.6
755.39227	3.5
761.40717	3.5
772.40045	0.7
773.40863	100.0
774.41022	3.6
823.45984	1.6
841.47095	10.5
859.47833	25.7
860.47961	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4804
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02938	3.7
65.03967	0.5
67.05515	5.9
69.03432	2.8
69.07074	3.5
71.05016	0.6
71.53612	0.5
73.02923	2.4
75.33015	0.3
79.05496	5.2
81.03423	2.0
81.07059	5.8
83.05000	1.0
83.08630	1.4
85.02911	4.1
91.03487	0.3
91.03961	1.9
91.05489	4.4
93.07042	3.9
95.04998	1.1
95.08609	2.1
97.02911	3.0
97.06552	0.5
97.10188	1.0
99.04464	0.9
101.02416	1.2
105.07043	2.6
107.04980	0.8
107.08611	2.8
109.02888	0.5
109.06547	0.7
109.10165	1.7
115.05396	0.4
117.07073	1.0
119.08578	2.3
121.06483	0.4
121.10170	1.0
123.08057	0.6
125.09641	0.8
127.03961	0.6
129.05455	0.3
129.07060	0.4
131.08615	1.5
133.10126	1.8
135.08084	0.6
135.11722	1.1
135.45261	0.4
145.04999	0.4
145.10179	1.0
147.11798	0.8
149.09709	0.4
149.13307	0.5
151.11259	0.8
157.10149	0.5
159.11775	0.6
184.43004	0.3
203.05299	0.4
205.15889	0.4
223.13431	1.1
239.16502	0.6
243.08458	4.3
291.19589	0.9
301.09180	0.4
331.18762	2.1
333.20499	1.3
335.25931	0.5
387.21469	0.7
389.22992	0.5
397.81879	0.4
439.19397	1.0
453.21115	0.9
469.20605	0.6
499.37885	0.4
517.39075	1.2
549.26807	6.2
551.28308	5.4
796.38452	0.4
824.04211	0.4
859.48138	100.0
860.48663	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	859.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02867	4.1
63.93994	0.5
64.27814	0.5
67.05426	7.2
69.03354	3.5
69.06987	4.6
71.04932	0.8
71.53411	0.6
73.02837	3.5
79.05412	7.8
80.05739	0.9
81.03333	3.1
81.07057	7.2
82.07317	0.9
83.04918	1.6
83.08526	1.9
85.02821	3.8
85.06486	0.7
91.03876	1.7
91.05478	5.1
93.07042	6.1
94.07316	0.6
95.04877	2.1
95.08606	4.8
97.02892	5.2
97.06480	1.0
97.10091	1.5
99.04412	1.0
101.02303	1.5
101.02908	0.6
103.03838	0.6
105.07044	4.5
106.07267	0.5
107.04856	0.8
107.08592	2.9
109.02798	0.8
109.06472	0.6
109.10167	2.6
117.06911	1.8
119.08595	3.4
121.10032	1.5
123.08009	0.8
125.09567	1.3
127.03834	1.3
129.05450	0.7
129.06947	1.2
131.08549	1.3
133.10072	1.1
135.08009	0.6
135.11623	1.0
143.08427	0.9
145.10010	1.8
147.11694	2.6
150.09846	0.5
159.11591	0.6
171.11630	1.5
173.11713	0.7
184.07233	1.2
185.04158	1.1
189.11043	0.6
193.67496	0.6
203.05254	0.5
223.13213	1.8
228.58395	0.7
243.08415	4.9
247.13007	1.8
275.19922	0.7
291.19440	1.9
301.08871	1.1
303.15561	1.2
315.10397	0.7
320.22678	0.8
331.18903	3.6
336.26141	1.0
349.23615	0.7
371.22021	0.7
387.21588	0.9
451.18805	0.6
453.20862	1.0
465.21011	17.2
465.27603	0.9
533.27313	2.3
549.26770	11.7
551.28094	2.2
611.35773	1.5
621.29120	0.7
646.24640	0.6
677.34210	0.6
703.33167	1.7
721.33661	0.8
731.39038	0.6
743.39374	1.9
756.00336	0.6
761.40723	4.0
772.40259	0.9
773.40820	100.0
774.41187	2.8
841.47235	11.6
859.47784	33.0
860.48175	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	858.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	4.1
67.05509	96.2
69.03432	6.7
69.07074	37.3
71.04992	6.2
72.08134	3.1
77.03906	4.1
79.05077	5.2
79.05499	68.8
81.03408	7.7
81.07063	100.0
83.04989	7.4
83.08622	22.2
85.02876	4.7
85.06538	6.7
86.09701	8.2
91.05489	82.0
93.06491	4.1
93.07050	81.9
95.04948	10.4
95.08068	3.4
95.08617	52.0
97.06514	11.2
97.10162	11.5
98.20757	4.6
105.04475	4.7
105.07037	80.0
107.04945	7.8
107.08598	50.2
109.06512	9.4
109.10167	40.7
111.08070	8.3
115.05456	3.0
117.07016	27.4
119.08582	63.6
121.06512	4.4
121.10152	29.8
123.08083	3.8
123.11684	6.3
125.09634	10.4
129.06979	18.6
131.08585	39.5
133.10144	54.8
135.08081	6.3
135.11713	20.9
137.09639	8.4
139.11139	3.3
141.06949	4.8
142.07719	4.1
143.08562	17.0
145.10123	33.3
147.11700	45.8
149.09619	9.8
149.13242	18.0
155.08540	7.5
155.10663	4.0
157.10126	20.8
159.11693	31.1
161.13269	28.5
163.11147	7.1
163.14812	3.4
163.92104	2.6
169.10109	10.7
171.11693	22.5
173.11833	4.3
173.13240	16.0
175.11122	3.0
175.14854	13.5
177.12810	3.6
181.10143	3.7
183.11700	10.3
184.07312	22.4
185.13277	21.6
187.14798	4.1
195.13831	5.3
197.13261	8.3
199.14772	10.0
204.46529	2.7
205.47247	3.0
209.13309	3.3
211.14728	3.1
213.16423	4.2
221.13290	3.2
221.68623	2.7
223.14851	3.8
227.12730	4.9
229.14304	25.2
231.21103	6.6
239.17941	4.1
241.19534	22.2
243.21147	3.2
244.51872	3.1
249.16374	3.9
257.18939	7.5
259.20602	66.0
260.20709	2.6
261.22076	4.4
267.15970	4.0
269.17413	26.9
273.18552	4.1
275.20111	37.7
277.21744	3.7
293.21115	5.3
315.23108	7.1
333.24222	69.8
335.25946	4.7
349.23624	11.5
367.24881	18.7
417.31067	4.1
435.32538	9.3
453.33826	6.2
487.34088	10.6
505.35428	15.5
509.36130	8.4
513.35712	11.9
515.37708	9.3
524.02893	3.1
527.37299	65.4
545.38409	18.9
551.41229	3.5
607.43585	41.4
625.44611	53.1
643.45313	6.9
858.47461	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	857.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	3.0
61.17627	0.4
67.05506	7.7
69.03441	3.9
69.07075	4.0
71.04978	1.0
73.02927	2.4
79.05498	5.5
80.33418	0.4
81.03433	2.4
81.07055	5.5
83.04996	1.6
83.08626	1.7
85.02907	4.1
91.03948	2.1
91.05489	4.8
92.37971	0.4
93.07048	4.5
95.04989	1.2
95.08591	3.7
96.08995	0.4
97.02892	3.6
97.06572	0.6
97.10179	1.4
98.20638	0.7
99.04461	0.5
101.02371	1.3
105.07038	3.8
106.07426	0.6
107.04972	1.3
107.08594	3.5
109.02895	0.5
109.06541	1.2
109.10175	2.3
111.08067	0.7
113.69104	0.4
117.07034	1.6
119.08594	2.6
121.06554	0.8
121.10149	1.1
123.04539	0.4
123.08072	0.7
123.11777	0.5
125.09658	1.1
127.03939	1.1
129.07022	0.7
130.11763	0.4
131.08578	1.5
133.10121	2.3
135.08049	0.6
139.14552	0.4
143.08592	0.7
145.10173	1.0
147.11703	0.7
149.09663	0.5
149.13290	0.7
151.11256	0.7
157.10120	0.7
159.11728	0.8
161.09743	0.5
163.11151	0.4
171.11731	0.5
185.04327	0.6
193.12311	0.6
223.13383	1.4
229.42342	0.5
243.08337	3.1
253.14357	0.7
290.29440	0.4
291.19580	2.9
292.20023	0.7
301.09012	0.6
313.17780	1.0
315.10599	1.1
331.18784	2.6
335.26215	0.6
336.26279	0.4
339.08270	0.4
387.21725	0.8
451.19571	1.3
531.26007	1.9
549.26697	9.7
621.29156	0.9
719.32776	0.6
759.39435	1.4
816.29144	0.4
839.45465	8.1
839.60199	0.8
857.46606	100.0
858.46887	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	857.4656
Annotation	Aurantimycin A
Peak:m/z	Relative Intensity
61.02928	3.0
61.17627	0.4
67.05506	7.7
69.03441	3.9
69.07075	4.0
71.04978	1.0
73.02927	2.4
79.05498	5.5
80.33418	0.4
81.03433	2.4
81.07055	5.5
83.04996	1.6
83.08626	1.7
85.02907	4.1
91.03948	2.1
91.05489	4.8
92.37971	0.4
93.07048	4.5
95.04989	1.2
95.08591	3.7
96.08995	0.4
97.02892	3.6
97.06572	0.6
97.10179	1.4
98.20638	0.7
99.04461	0.5
101.02371	1.3
105.07038	3.8
106.07426	0.6
107.04972	1.3
107.08594	3.5
109.02895	0.5
109.06541	1.2
109.10175	2.3
111.08067	0.7
113.69104	0.4
117.07034	1.6
119.08594	2.6
121.06554	0.8
121.10149	1.1
123.04539	0.4
123.08072	0.7
123.11777	0.5
125.09658	1.1
127.03939	1.1
129.07022	0.7
130.11763	0.4
131.08578	1.5
133.10121	2.3
135.08049	0.6
139.14552	0.4
143.08592	0.7
145.10173	1.0
147.11703	0.7
149.09663	0.5
149.13290	0.7
151.11256	0.7
157.10120	0.7
159.11728	0.8
161.09743	0.5
163.11151	0.4
171.11731	0.5
185.04327	0.6
193.12311	0.6
223.13383	1.4
229.42342	0.5
243.08337	3.1
253.14357	0.7
290.29440	0.4
291.19580	2.9
292.20023	0.7
301.09012	0.6
313.17780	1.0
315.10599	1.1
331.18784	2.6
335.26215	0.6
336.26279	0.4
339.08270	0.4
387.21725	0.8
451.19571	1.3
531.26007	1.9
549.26697	9.7
621.29156	0.9
719.32776	0.6
759.39435	1.4
816.29144	0.4
839.45465	8.1
839.60199	0.8
857.46606	100.0
858.46887	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	857.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	0.1
65.98560	0.1
67.01884	0.1
68.99793	0.1
69.03434	0.7
69.93420	0.1
70.06572	0.1
71.01334	0.1
71.04994	2.3
73.02541	0.1
73.02921	1.0
75.04479	0.2
79.05492	0.1
81.03442	0.1
81.07051	0.1
83.04967	0.4
85.02906	3.5
87.04453	0.1
91.05486	0.1
95.04980	0.1
95.08623	0.1
97.02896	1.3
105.07019	0.1
109.02869	0.1
111.04443	0.3
115.03934	0.7
127.03911	0.2
128.84732	0.1
129.05478	0.7
131.04865	0.1
133.04956	0.1
133.06485	0.8
135.04454	0.4
137.05978	0.2
139.03900	0.1
145.02818	0.1
145.04953	0.1
147.04367	0.1
147.06499	0.2
153.01822	1.2
157.04939	0.1
159.04405	0.3
163.07510	0.1
171.02878	0.2
177.05586	0.3
211.05977	0.1
225.07616	0.3
239.07082	0.2
242.05740	6.8
243.06300	0.2
243.08647	0.1
257.08267	0.1
270.05243	7.6
271.05469	0.1
279.10736	0.1
285.07578	100.0
286.07965	1.2
297.07532	0.1
327.08771	0.3
351.08591	0.1
381.09641	0.1
397.13266	0.1
399.10773	0.1
417.11835	0.3
429.12003	0.1
431.13345	0.2
447.12885	3.4
579.17078	6.9
580.17285	0.1
593.18329	0.2
711.21320	0.9
725.22534	0.3
850.35834	0.1
857.26465	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	0.6
67.01865	0.1
67.05493	0.1
69.03428	1.8
70.06555	0.1
71.01357	0.5
71.04995	3.4
71.54008	0.1
72.28372	0.1
73.02918	4.9
75.04481	0.4
79.05515	0.1
81.03376	0.3
83.04987	1.9
85.02907	6.4
87.04434	0.3
95.04920	0.2
97.02895	3.4
99.04414	0.2
103.03951	0.2
105.07011	0.1
109.02856	0.2
111.04452	1.4
113.02306	0.1
113.05994	0.1
115.03162	0.1
115.03927	1.9
117.05500	0.1
121.06481	0.1
127.03901	0.2
129.05484	1.9
133.04932	0.3
133.06499	0.6
135.04378	0.3
137.05907	0.1
143.03419	0.1
145.04944	0.1
147.06506	0.6
149.04401	0.1
153.01834	1.0
157.04948	0.2
159.04359	0.3
169.04843	0.1
171.02974	0.2
171.06483	0.2
177.05510	0.2
179.06902	0.1
183.06610	0.1
225.07658	0.7
239.06808	0.1
242.05740	5.4
243.06386	0.1
243.08624	0.3
261.09842	0.1
270.05231	7.2
271.05850	0.1
285.07571	100.0
286.07941	1.2
297.07571	0.3
327.08615	0.5
336.76694	0.1
351.08624	0.2
381.09848	0.2
395.11020	0.2
399.10947	0.2
417.11768	0.2
429.11948	0.1
431.13324	0.3
447.12878	2.1
579.17078	11.4
580.17242	0.3
593.19769	0.1
701.94788	0.1
725.22870	0.9
762.65570	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	856.578
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	2.2
65.03934	4.7
67.05508	93.5
69.03419	7.4
69.07069	27.3
71.04995	15.0
79.05497	68.0
81.03406	8.9
81.07059	90.1
83.04977	8.1
83.08628	17.4
85.02892	4.3
85.06523	5.5
91.05485	45.1
92.33406	1.6
93.07047	76.1
95.04988	8.9
95.08608	60.0
97.02880	3.2
97.06535	14.6
97.10175	8.1
98.21536	3.5
99.04476	1.8
99.08099	4.0
105.04514	2.3
105.06387	2.9
105.07030	34.3
107.04941	5.0
107.08600	42.5
109.02859	1.5
109.06509	5.3
109.10160	35.8
111.04465	3.3
111.08084	6.9
111.56483	1.7
115.05463	1.8
117.07022	17.2
119.08572	25.2
121.06519	3.5
121.10157	29.5
123.08059	4.4
123.11714	6.3
125.09635	3.7
127.03907	2.2
128.33403	1.6
129.05496	3.1
129.06996	4.2
131.08572	23.7
133.10123	21.2
135.08063	4.5
135.11678	15.9
137.09624	2.3
137.13281	2.6
139.11172	2.3
141.06982	2.7
143.08553	5.1
145.06644	1.7
145.10127	18.1
147.04350	2.4
147.08128	1.5
147.11664	15.2
149.09590	6.7
149.13269	11.2
151.11139	2.7
155.08589	2.5
157.10074	5.2
159.11684	15.7
161.09604	2.0
161.13248	5.9
161.17346	1.4
163.11179	6.0
169.10164	3.2
171.11723	5.1
173.11879	3.3
173.13271	9.3
175.11197	1.8
175.14859	2.4
177.12753	3.5
179.14354	2.4
183.11636	3.9
185.13271	3.0
187.14766	3.0
195.13828	4.1
197.13251	3.1
199.14851	1.8
227.12724	3.8
229.14337	17.4
239.17970	2.1
243.20975	4.0
246.20993	1.7
257.18958	4.8
261.22137	9.2
267.16000	2.3
269.17502	11.9
275.20056	18.3
277.21460	2.0
293.21091	2.9
307.22760	2.0
317.24924	2.0
324.48355	1.8
331.22672	3.7
335.25793	62.5
339.18054	4.3
349.23688	16.9
369.24429	1.8
381.26361	2.7
413.21567	11.8
437.34259	2.5
480.47073	1.6
489.35754	13.2
507.36548	2.7
529.38916	100.0
530.39386	2.2
538.40936	1.7
569.41937	4.5
609.45203	31.0
627.45624	5.1
641.47791	18.7
673.43359	12.1
691.44073	2.9
823.48212	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	3.4
65.03929	4.3
67.05509	100.0
68.91407	1.0
69.03413	3.6
69.07072	15.0
70.68246	1.0
71.01353	1.1
71.04980	4.0
71.24903	1.9
73.02898	2.4
74.26304	0.9
77.03939	1.4
79.05498	46.8
81.03430	8.0
81.07060	65.5
83.04993	6.8
83.08619	15.1
85.02905	10.4
85.06526	3.3
87.04459	5.3
91.03944	1.1
91.05482	24.9
93.07050	45.8
95.04982	5.0
95.08612	41.3
97.02898	4.5
97.06528	4.9
97.10178	14.4
99.08089	1.6
103.03934	1.3
103.46582	1.0
105.04545	1.4
105.07037	15.7
107.04958	2.7
107.07882	1.1
107.08601	25.5
109.06516	3.8
109.10164	60.4
111.04451	1.0
111.08093	3.0
117.07012	6.6
119.08583	16.6
121.10150	20.4
123.08086	2.4
123.11668	4.4
125.09653	11.1
129.05490	1.7
129.07047	2.0
131.08569	9.9
133.10138	8.2
135.11696	12.9
137.09595	3.2
139.11087	1.5
143.08647	1.1
143.10681	3.3
145.10101	8.8
147.11722	5.8
149.09647	1.7
149.13266	5.3
153.12737	2.8
155.10684	2.0
159.11676	3.6
161.09601	1.0
161.13264	4.2
163.11194	8.2
163.14830	2.6
165.12692	1.2
167.07253	1.1
173.09563	1.3
173.11726	12.1
173.13249	4.7
175.14825	1.6
181.12141	1.3
187.14861	1.3
189.11220	1.3
191.10674	1.2
193.12247	2.4
199.13295	4.3
201.16475	1.4
203.72359	0.8
209.11703	5.1
227.12801	5.5
229.14355	41.4
230.14755	1.1
243.21103	5.8
245.03271	1.0
257.13889	1.4
261.22104	13.0
267.15945	3.3
277.21628	1.1
283.15387	2.1
301.13831	1.3
301.16541	11.9
317.24850	1.7
333.24112	1.1
335.25809	83.2
399.23770	12.2
459.34735	1.3
472.92969	1.0
477.35867	7.0
489.35785	18.6
507.36252	1.0
543.36450	1.2
561.37909	6.7
579.38666	4.0
659.45142	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	856.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	3.0
65.03923	4.4
67.05510	78.5
69.03437	11.0
69.07072	44.4
71.05000	5.7
72.69347	1.0
73.02897	2.0
77.03925	1.9
79.05499	70.4
80.57778	1.1
81.03421	17.2
81.07062	100.0
83.04987	14.3
83.08149	1.3
83.08620	20.2
85.02899	6.8
85.06531	4.3
91.05486	62.6
91.10390	1.0
93.07049	76.6
95.04980	13.1
95.08611	46.5
97.02891	5.3
97.06538	21.7
97.10172	12.3
99.04448	3.0
99.08086	4.3
103.05439	1.4
105.04521	2.2
105.07037	49.4
107.04955	13.1
107.08604	51.4
108.08969	1.1
109.02854	3.5
109.06512	9.5
109.10163	17.1
110.38190	1.0
111.04390	1.5
111.08087	7.3
113.05969	1.1
113.09658	2.4
115.05475	3.3
117.07024	20.7
119.08593	37.6
121.06515	6.6
121.10149	21.7
123.08083	6.0
123.11715	6.2
125.09647	9.1
127.03898	4.1
128.06203	2.9
129.05461	1.7
129.07008	11.0
131.07590	1.4
131.08571	27.0
133.06465	2.3
133.10143	34.3
135.08054	7.6
135.11699	23.8
137.09610	4.5
141.06972	4.5
142.07751	1.4
143.08580	8.9
145.06456	2.1
145.10135	23.1
147.08020	2.0
147.11700	15.6
149.08560	1.8
149.09633	19.7
149.13269	14.4
151.11186	2.9
155.08562	5.7
157.10114	7.4
159.08076	1.6
159.11713	22.1
161.09589	3.0
161.13274	7.8
163.11194	13.7
165.12762	2.1
169.10130	5.4
171.10268	2.0
171.11659	8.6
173.04449	4.2
173.09459	1.1
173.13293	9.3
175.11188	3.5
175.14972	1.1
177.12793	6.8
179.14311	4.9
181.10117	2.4
181.12251	2.5
183.11681	4.5
185.13213	4.0
187.11198	2.5
187.14827	3.1
189.11259	5.9
195.13799	10.4
197.13281	4.0
201.12839	1.3
201.16469	1.3
205.12349	1.4
211.14842	1.7
213.14745	2.1
215.12456	1.1
215.14427	1.5
217.15694	1.2
219.13809	2.2
227.12764	12.4
229.14349	1.9
229.19524	3.4
229.36258	1.5
239.17970	3.2
244.03740	1.1
247.20628	4.1
251.16389	2.5
253.14294	1.8
255.15894	13.0
257.19016	13.5
259.20584	1.2
267.15848	4.2
269.17496	53.5
273.18478	1.4
275.20078	50.6
276.20575	2.1
291.19659	2.8
293.17535	1.5
293.21085	3.9
321.24228	1.6
331.22644	4.3
349.23758	46.7
350.24072	1.9
361.26971	1.2
365.23575	1.2
367.25012	6.3
413.21692	1.9
423.27707	1.6
433.30692	1.4
435.27130	3.4
439.27225	1.4
445.29398	4.0
447.30820	2.5
449.29019	29.1
451.31995	1.5
463.30606	38.8
463.36734	1.3
469.33139	1.3
471.00363	1.2
485.32498	1.4
503.33734	1.9
515.37238	1.5
525.36127	5.2
527.37170	1.7
529.35419	12.6
543.36853	50.2
547.35870	2.5
561.37628	10.8
607.34662	3.4
623.43024	6.7
641.43652	6.1
659.44794	1.4
687.40765	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.542
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.0
65.03938	4.6
67.05511	84.4
69.03433	11.7
69.07074	49.0
70.70250	2.1
70.70571	1.4
71.01360	1.0
71.04995	7.4
73.02898	1.8
77.03939	3.0
79.05500	75.5
81.03419	16.9
81.07064	100.0
83.04993	16.0
83.08622	21.4
85.02917	7.7
85.06535	5.0
87.04446	1.0
91.05489	58.5
93.07052	72.3
95.04973	13.0
95.08614	49.8
95.21928	1.0
97.02939	6.3
97.06540	22.9
97.10181	16.4
99.04465	3.5
99.08085	3.4
103.05473	3.5
105.04511	1.9
105.07041	56.5
107.04949	13.7
107.08605	57.3
109.02900	3.3
109.06532	10.8
109.10166	21.0
111.04485	1.9
111.08099	8.2
113.09697	2.1
115.05472	3.2
117.07021	25.3
119.08590	42.9
121.06528	7.9
121.10152	26.0
123.08087	7.4
123.11712	6.6
125.09644	14.1
125.54112	1.0
127.03935	4.4
128.06223	3.3
129.05495	2.1
129.07013	9.4
130.07857	1.4
131.08583	35.0
133.06508	2.7
133.10139	34.4
135.08084	6.5
135.11707	22.4
137.09680	6.0
139.07532	1.4
139.11185	2.8
141.06970	5.8
142.07791	2.2
143.08580	11.1
144.09340	1.2
145.06474	3.0
145.10139	28.7
147.08067	3.5
147.11705	19.4
149.09633	23.7
149.13260	15.7
151.11180	4.3
153.09045	1.3
155.08571	7.3
157.10146	9.3
159.08041	1.9
159.11697	25.8
161.09645	2.2
161.13269	7.4
163.07539	1.8
163.11195	12.9
165.07118	1.1
165.09082	1.2
165.12767	2.0
167.08597	2.0
169.10144	7.3
171.10352	1.7
171.11719	6.8
173.04442	3.6
173.09619	1.7
173.11913	2.1
173.13283	9.5
175.11185	3.7
177.12764	6.0
179.10620	1.3
179.14319	6.4
181.10117	1.5
181.12297	2.8
183.11667	5.5
184.07448	1.6
185.13255	3.5
187.11243	2.6
187.14847	3.8
189.11229	6.3
189.12732	2.5
189.16171	1.1
191.10767	1.5
195.11850	2.3
195.13815	6.9
197.13266	4.5
199.14822	2.6
201.12721	1.9
201.16389	1.2
203.14412	1.6
209.13361	2.9
211.14821	2.1
215.17941	2.0
219.13940	1.6
221.13351	1.3
223.14931	2.1
227.12796	19.2
229.14273	2.2
229.19498	2.4
233.15388	1.4
239.18015	4.8
245.13892	2.5
247.20616	3.6
251.16518	2.1
253.17982	2.0
255.15875	15.2
257.19016	13.9
267.15933	5.6
269.17487	39.2
275.20074	61.0
291.19458	1.7
291.43649	1.2
293.18088	1.4
293.21149	5.2
313.21783	2.3
321.24225	1.7
331.22537	5.5
349.23773	52.6
351.24597	1.1
365.23602	1.7
367.24963	5.8
413.21918	2.3
423.27670	1.4
431.27829	2.1
433.30695	1.7
435.26678	2.3
445.29321	2.8
449.29068	19.8
451.32224	1.4
463.30643	21.4
469.33606	1.8
503.33331	3.0
511.34708	2.5
515.37494	1.4
519.33502	2.4
525.35681	4.5
529.35345	13.5
543.36865	47.0
547.36005	2.0
561.37848	8.7
593.33075	1.5
605.41858	1.6
607.35358	1.4
623.43085	13.0
641.44092	7.1
687.41077	2.6
705.41791	1.6
728.14545	1.4
735.60901	1.3
857.46790	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	2.4
62.35796	1.5
65.03930	5.4
67.05510	96.6
69.03439	14.9
69.07076	50.3
71.05000	7.0
73.02893	1.5
77.03946	2.1
77.57794	1.3
78.57329	1.5
79.05499	95.0
81.03423	15.1
81.07064	93.7
83.04995	19.4
83.08148	2.1
83.08627	38.2
85.02924	7.1
85.06554	4.5
86.06062	2.1
87.04450	3.9
91.05488	73.9
92.55836	1.4
93.07050	79.9
94.07397	1.4
95.04966	12.9
95.08617	39.9
97.02891	5.8
97.06548	18.3
97.10178	66.4
99.04457	2.4
99.08089	2.3
103.05489	2.5
104.07095	1.5
105.04549	2.5
105.07038	73.0
107.04963	16.7
107.08601	100.0
109.02898	5.8
109.06537	12.5
109.09454	2.4
109.10162	29.0
111.04427	3.4
111.08087	9.5
113.09642	2.5
115.05495	2.6
116.06338	1.5
117.07024	28.8
119.06064	2.1
119.08588	47.3
121.06490	6.1
121.10149	27.5
123.04514	2.0
123.08110	7.2
123.11666	7.9
125.06039	1.7
125.09638	61.9
127.03917	6.1
128.06247	2.0
129.06999	7.9
130.07805	2.0
131.08582	33.0
133.06456	4.6
133.09140	2.4
133.10138	37.4
135.08051	13.9
135.11705	17.2
137.09586	3.1
139.11195	2.5
141.06996	5.1
143.08583	10.8
143.10588	1.6
144.09402	1.8
145.06487	1.5
145.09050	3.0
145.10136	38.4
147.08058	3.5
147.11705	23.6
149.09650	26.4
149.13258	10.2
151.11191	3.9
153.09114	5.2
153.12712	1.4
155.08539	7.6
156.09361	1.5
157.10147	13.0
159.08061	2.4
159.11722	22.6
161.09604	4.0
161.13261	9.5
162.71150	1.4
163.11205	13.8
169.10196	8.6
171.10146	5.6
171.11700	10.3
173.04482	2.2
173.09598	2.8
173.11871	2.6
173.13263	11.5
175.11200	2.5
177.12755	5.4
179.14334	6.2
181.10097	2.1
181.12257	3.0
183.11717	8.4
185.13289	5.3
187.11189	3.9
187.13216	1.8
187.14784	4.6
189.11223	33.7
189.16302	1.7
191.14359	1.9
193.12271	2.7
195.11736	1.9
195.13847	3.2
197.13261	6.0
198.24191	1.5
199.14941	1.8
201.12796	2.2
201.16454	1.7
205.15950	1.4
211.14876	2.1
213.16437	3.1
225.16228	1.9
227.12794	92.0
229.14314	3.9
229.19493	3.5
239.17940	6.0
243.15842	1.6
245.13824	12.2
247.20738	2.0
251.16362	1.7
253.17892	1.9
255.15826	10.7
257.19052	19.3
267.15863	1.7
269.17496	23.8
273.18488	3.1
275.20071	92.4
276.20587	1.5
291.19550	4.8
292.19992	1.6
293.20950	5.5
313.21640	2.7
331.22684	7.8
349.23758	85.2
350.23984	2.8
363.26657	1.7
367.24731	3.5
381.27838	2.1
389.18103	3.4
397.22430	6.8
413.21951	1.8
421.25751	1.6
425.25497	2.6
433.30722	2.3
439.26898	8.7
445.29492	2.3
449.29327	1.8
499.34000	1.7
501.31934	1.9
503.33496	5.0
511.34662	2.8
519.33179	18.8
525.35785	6.5
529.35193	19.5
531.38184	2.0
541.35651	1.8
543.36853	72.9
544.37177	1.7
547.36243	2.1
561.37134	4.2
583.31055	3.0
583.39856	2.7
595.44006	2.4
605.42145	5.1
623.43066	53.2
624.42499	2.0
641.44232	18.1
663.36694	2.2
674.85522	1.6
687.40924	1.8
721.85870	1.7
757.51837	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	856.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	4.5
65.03947	8.8
65.71724	1.2
67.05509	98.1
69.03435	13.4
69.07072	48.8
69.07371	1.3
69.37598	9.2
71.04999	6.3
73.02908	1.4
73.91861	1.4
77.03952	2.1
78.75867	1.1
79.05497	87.3
81.03423	15.6
81.07059	100.0
83.04990	14.8
83.08622	17.5
84.91720	1.1
85.02913	8.2
85.06548	4.9
87.04485	1.5
91.05486	89.0
93.07047	83.7
93.07919	1.6
95.04969	18.2
95.08613	57.1
97.02888	10.0
97.06528	19.4
97.10166	13.1
99.04450	3.3
99.08092	4.8
101.02371	1.2
103.05455	2.5
105.04535	2.7
105.07038	74.5
107.04971	11.3
107.08600	50.7
109.02877	3.8
109.06510	9.3
109.10163	25.8
111.04459	2.4
111.08093	8.6
113.09681	2.0
115.05476	4.8
117.07019	32.8
119.04978	1.8
119.05928	1.1
119.08588	58.9
121.06500	6.9
121.10147	30.7
123.08085	9.5
123.11723	8.0
125.09666	10.9
127.03933	5.1
128.06224	4.2
129.05481	2.8
129.07010	19.4
130.07762	3.7
131.08575	42.6
133.06494	3.6
133.10139	46.3
135.08058	8.5
135.11711	22.0
137.09621	7.9
139.11220	2.7
141.07001	5.5
142.07828	3.7
143.08571	16.6
144.09325	2.1
145.04941	2.1
145.06522	1.8
145.10133	33.7
147.08038	4.3
147.11700	34.0
149.09615	17.5
149.13264	14.6
151.11205	5.3
154.07813	1.3
155.08569	8.7
157.10136	15.3
159.08076	3.3
159.11702	26.5
161.09663	3.0
161.13275	12.9
163.11214	12.2
163.14793	1.5
167.08609	2.6
168.09315	1.6
169.10110	11.4
170.10953	1.1
171.10246	2.1
171.11653	14.9
173.04486	2.9
173.09651	1.4
173.11853	2.0
173.13260	15.2
175.11160	3.2
175.14909	3.6
177.12769	7.0
179.08574	1.6
179.14360	4.9
181.10117	5.9
182.10968	1.5
183.11694	10.2
185.09709	1.3
185.13272	8.7
187.11186	2.1
187.14864	4.6
189.11247	4.7
189.12729	2.8
189.16447	1.4
193.10156	3.0
195.11888	6.9
195.13840	6.5
197.13280	8.3
199.14760	6.0
201.12811	2.3
201.16321	2.7
203.14394	1.6
207.13815	1.8
209.13289	4.0
211.14874	5.1
213.16383	1.8
215.18018	1.6
217.15794	1.8
219.11687	1.4
219.13770	2.3
221.13223	1.7
221.15448	1.2
223.14915	2.3
225.16487	2.2
227.12773	9.5
229.14317	2.8
229.19533	1.4
231.21194	1.3
237.16335	1.9
239.18024	4.9
241.19513	5.2
245.19060	2.3
247.20624	3.4
253.14203	3.0
255.15823	7.1
257.18961	8.7
259.20587	19.3
267.13309	1.2
267.15875	2.2
269.17471	21.5
273.18604	3.3
275.20084	35.3
277.21738	1.5
291.19623	4.8
293.17563	1.2
293.21130	4.0
299.23734	1.6
301.21567	1.5
303.83438	1.6
313.21841	2.5
315.23087	4.3
331.22510	1.6
333.24280	17.1
349.23734	24.3
353.24936	1.4
365.23691	1.8
367.24805	2.8
395.91702	1.4
421.30722	2.6
433.31174	1.7
435.32480	2.2
449.29202	3.6
451.31909	2.1
463.30469	5.9
487.34177	1.6
495.34290	1.6
513.35767	16.9
515.37793	3.3
525.35754	1.5
527.37415	16.0
529.35388	2.2
531.37115	1.9
533.40320	1.6
543.36774	11.9
545.37994	2.5
607.43634	12.6
625.44684	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	856.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	4.2
63.94471	1.0
65.03936	5.0
67.05508	84.3
68.05813	1.4
69.03427	11.4
69.07069	43.9
69.46142	8.2
71.05004	7.4
71.08629	1.6
73.02924	2.0
77.03932	2.0
78.04700	1.1
79.05495	83.5
80.05840	1.4
81.03426	12.9
81.07058	100.0
82.07422	1.3
83.04981	15.9
83.08620	22.6
85.02899	10.0
85.06548	5.8
91.03965	2.2
91.05483	88.0
93.07045	81.2
94.07391	1.5
95.01352	1.7
95.04970	15.6
95.08608	56.4
97.02889	9.4
97.06534	18.4
97.10166	12.4
99.04443	1.5
99.08098	4.7
103.05476	4.2
104.06262	1.3
105.04523	3.3
105.07033	76.9
106.07339	1.8
107.04971	11.4
107.08596	52.1
108.08929	1.6
109.02886	3.1
109.06522	9.8
109.10154	27.3
111.04456	2.3
111.08086	6.3
113.06023	1.5
113.09570	1.8
115.05475	3.6
116.06194	1.1
117.07024	32.5
119.08588	55.4
121.06512	6.1
121.10147	29.5
123.08098	7.3
123.11713	7.2
125.09627	12.8
127.03912	4.9
127.07577	1.1
128.06242	5.8
129.05482	3.9
129.07016	14.6
130.07730	1.8
131.04930	1.7
131.07588	2.2
131.08566	41.3
133.06470	2.6
133.10130	47.4
135.08035	7.3
135.11684	19.9
137.09607	6.3
139.07535	1.2
141.06989	5.7
142.07799	3.5
143.08575	20.4
145.04932	2.1
145.06451	2.4
145.10123	31.2
147.08046	3.4
147.11699	28.4
149.09616	15.1
149.13272	15.1
151.11183	5.1
154.07726	1.5
155.08546	7.3
156.09314	1.5
157.10135	15.6
159.08047	2.0
159.11688	28.4
161.09624	4.9
161.13255	14.8
163.11197	10.7
165.09200	1.4
165.12730	2.2
167.08569	3.2
168.09258	1.3
169.10139	10.4
171.08058	1.2
171.11703	17.4
173.04369	1.3
173.09717	2.0
173.13251	11.0
175.11195	3.8
175.14839	5.7
177.12799	5.2
179.14322	4.9
181.10097	5.3
183.11699	10.9
185.09624	1.6
185.13235	11.8
187.11172	1.8
187.14796	5.1
189.11227	6.6
189.12767	2.2
191.14275	1.4
193.10178	1.4
195.11868	5.6
195.13821	5.4
197.13268	8.0
199.13255	1.6
199.14853	7.5
201.12837	1.5
205.15805	1.2
207.11761	1.5
209.13272	4.2
211.14836	4.2
213.14676	1.5
213.16429	3.1
217.15837	1.8
221.13289	2.4
223.14928	2.8
225.12810	1.5
225.16415	2.7
227.12778	12.9
227.17986	1.6
229.14378	3.5
229.19560	3.2
231.17453	1.3
231.20944	2.1
233.15367	1.6
233.18953	1.5
235.14856	1.9
239.17999	3.6
241.19592	5.4
247.20667	3.0
253.14297	6.4
254.14677	1.5
255.15779	6.9
257.19028	10.8
259.20575	18.8
261.22067	1.7
267.15939	3.3
269.17426	19.6
273.18488	5.1
275.20078	39.1
277.21704	1.4
283.20609	1.4
289.27997	1.1
291.19556	4.2
293.21164	4.8
297.22079	1.5
301.21750	1.8
309.22070	1.5
313.21387	1.5
315.23013	2.2
331.22733	3.5
333.24237	20.9
335.25827	2.1
347.21930	1.5
349.23755	25.6
365.23511	1.6
366.23535	1.3
367.25220	2.4
421.31171	2.2
435.32455	2.6
435.89560	1.2
445.29587	2.0
449.28882	4.8
453.33572	1.7
463.30704	5.3
485.32327	2.3
487.34253	1.4
490.80295	1.3
495.34286	1.5
503.33511	2.1
505.94391	1.6
513.35767	12.7
515.37793	1.9
525.35718	1.8
527.37354	13.2
533.39606	1.8
543.36780	10.0
545.37262	1.1
560.37238	1.7
561.37427	1.8
567.40222	1.9
579.69171	1.2
607.43402	17.1
623.42328	1.7
625.44879	14.6
641.43152	2.2
857.45868	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.81982	0.7
61.02925	7.3
65.03942	5.4
67.05509	91.3
69.03436	13.1
69.07069	44.1
69.88928	3.2
71.01349	1.2
71.04997	6.6
71.08629	1.8
73.02919	4.3
75.43578	0.6
77.03946	2.3
79.05497	88.0
80.06288	0.9
81.03424	13.9
81.07060	100.0
83.04985	16.4
83.08624	16.0
85.02904	12.1
85.06541	4.4
87.04441	1.2
91.04001	3.9
91.05485	92.1
93.07047	88.8
95.04977	16.3
95.08610	61.7
97.02896	11.7
97.06536	16.6
97.10172	7.1
98.09681	4.1
99.04456	2.6
99.08099	6.2
101.02373	1.2
103.03934	1.1
103.05474	4.7
104.06312	1.0
105.04567	3.6
105.07034	80.4
107.04962	8.6
107.08596	44.5
109.02900	2.7
109.06521	6.9
109.10158	23.5
111.04443	2.6
111.08065	6.5
112.97794	0.7
113.06026	0.7
113.09699	1.6
115.05443	5.2
116.06226	1.6
117.07019	34.6
119.04977	1.1
119.06107	1.3
119.08585	61.9
121.06530	5.8
121.10147	30.0
123.08080	9.4
123.11709	6.9
125.09608	4.0
127.03908	7.1
128.06223	6.2
129.05580	5.2
129.07010	22.9
129.07915	1.5
130.07790	3.1
131.08577	45.4
132.09337	0.8
133.06497	2.7
133.10136	45.4
135.08067	5.9
135.11702	19.2
137.09636	4.6
137.13287	2.1
139.11197	2.1
141.06979	6.0
142.07799	4.7
143.08571	21.6
144.09285	1.3
145.04988	3.4
145.06496	2.3
145.10123	34.3
146.10912	1.0
147.08081	4.1
147.11693	35.1
149.09627	10.8
149.13260	14.1
149.75757	0.8
151.11201	3.0
153.07053	1.1
153.09135	0.7
154.07901	1.0
155.08542	9.4
155.10561	1.1
156.09406	2.2
157.06554	1.1
157.10133	20.1
158.10962	1.0
159.08112	2.6
159.11700	31.1
161.09665	3.2
161.13266	15.4
163.11179	6.4
163.14890	3.0
165.07007	1.1
165.09222	1.0
165.12817	2.2
167.08554	3.6
168.09378	1.8
169.10130	12.4
171.08127	1.1
171.11681	19.2
173.04512	1.2
173.09636	1.3
173.11792	1.7
173.13249	16.6
175.11163	3.9
175.14812	5.9
177.12747	5.7
178.33411	0.7
179.08533	1.2
179.14320	4.7
181.10143	6.3
182.10857	1.0
183.11703	11.0
185.09685	0.9
185.13252	11.3
187.11253	2.4
187.14842	4.6
189.11244	1.4
189.12817	2.6
189.16451	2.3
191.14404	1.0
192.09398	1.0
193.10170	1.9
193.12187	0.9
195.07959	0.8
195.11751	6.7
195.13847	5.8
196.12537	1.4
197.13254	10.0
199.11221	1.1
199.14825	7.3
201.12807	1.3
201.16441	3.0
203.14467	1.8
203.17863	1.2
205.12247	1.5
205.15981	1.1
207.11758	2.7
207.13844	3.3
209.13272	4.3
211.14880	4.9
213.12849	1.5
213.14619	0.8
213.16536	4.7
215.14432	1.0
215.18002	2.3
217.15903	1.8
221.13306	1.8
221.15248	1.1
223.14799	4.2
225.16467	3.0
227.12762	1.1
227.17953	2.3
229.14305	1.8
229.19557	2.4
231.17476	1.3
231.21146	1.5
233.15411	1.5
235.14923	1.4
237.16464	2.4
239.17987	3.7
241.15823	1.0
241.19650	6.4
243.12299	0.8
243.17618	1.6
243.21101	1.1
245.19142	1.2
247.20622	1.0
255.17635	1.4
255.21053	0.8
257.19000	7.1
259.20569	20.8
261.22171	1.1
265.19809	1.0
267.15955	3.1
269.17404	13.3
271.17111	1.0
271.20642	1.3
273.18832	1.6
275.20050	13.1
277.21838	1.4
281.17340	3.8
283.20636	1.8
285.22180	1.0
289.21631	1.4
291.19913	1.0
297.22192	1.9
299.20184	1.0
301.21585	1.2
309.22116	1.8
311.23569	1.1
313.21710	1.7
315.23276	3.7
323.23788	1.2
325.21704	0.9
327.23325	1.3
329.24570	1.1
331.22812	1.9
333.24265	18.3
335.26349	3.6
337.25397	1.3
341.24832	1.1
347.22891	0.9
349.23734	9.7
351.26407	1.0
353.24899	1.0
355.26462	0.8
407.28864	1.3
421.30762	1.2
435.32709	3.1
445.30237	1.0
447.31891	1.2
453.33807	2.5
463.30933	1.6
471.34695	1.7
475.30832	3.2
485.33249	1.2
487.34235	1.3
489.35989	1.0
501.35660	1.4
513.35925	3.2
515.38062	1.5
517.40363	2.0
525.35553	1.1
527.37335	11.1
535.41864	1.0
538.36444	0.8
539.37506	1.8
543.37311	1.4
545.38550	1.2
591.44623	1.7
607.43640	4.4
609.29883	1.0
609.45209	27.1
625.44818	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	856.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	5.0
65.03947	5.5
67.05508	88.1
68.05831	1.3
69.03439	11.7
69.07071	39.5
69.26375	10.9
71.01369	1.4
71.05013	6.6
71.08625	1.9
73.02914	4.1
77.03934	1.7
79.05498	79.2
80.06247	1.2
81.03423	17.3
81.07062	100.0
81.27821	1.3
82.07391	1.5
83.04986	15.2
83.08633	17.5
85.02909	7.7
85.06559	6.4
91.05486	81.8
93.07049	76.3
94.07417	1.3
95.04977	14.2
95.08613	49.1
97.02885	7.9
97.06535	17.7
97.10193	7.1
99.04465	3.0
99.08092	7.0
103.05482	3.2
105.04549	3.3
105.07036	66.7
107.04951	10.1
107.07874	2.4
107.08601	42.3
109.02872	2.4
109.06511	9.0
109.10164	20.0
111.08071	6.8
113.09644	2.0
115.05456	4.1
117.07022	25.4
119.04946	1.4
119.08593	51.0
121.06532	6.0
121.10143	26.1
123.08072	8.2
123.11695	5.1
125.09624	6.3
127.03915	4.0
128.06242	5.4
129.05489	2.7
129.07016	14.8
130.07831	1.9
131.08574	37.3
131.09537	2.5
133.06490	2.7
133.10133	43.0
135.08087	8.5
135.11688	22.7
137.09613	4.3
139.11153	1.8
141.07013	4.4
142.07768	3.4
143.08569	13.3
144.09311	1.7
145.06523	1.8
145.10129	28.8
147.08044	2.5
147.11693	27.2
149.09650	14.6
149.13274	16.1
151.11218	4.8
155.08562	6.8
156.09351	1.9
157.10153	12.3
159.08128	1.4
159.11707	26.1
161.09621	3.9
161.13260	13.6
163.11203	11.8
165.07004	1.6
165.12712	2.2
167.08606	2.8
169.10153	8.4
171.08138	1.7
171.11693	14.2
173.04488	2.1
173.09644	1.5
173.13245	11.1
175.11211	3.2
175.14876	4.6
177.12726	5.2
179.08536	1.3
179.14308	2.6
181.10202	2.6
181.12183	1.4
183.11655	6.1
185.13277	8.4
187.11189	1.9
187.14835	5.0
189.11203	2.5
189.12776	2.2
193.10239	1.7
195.11742	3.4
195.13844	9.5
197.13278	3.8
199.14839	5.8
203.14369	1.5
206.87303	1.2
207.11725	1.4
207.13690	1.6
209.13237	3.2
211.14967	1.9
213.14651	1.6
213.16478	1.8
215.14403	2.1
218.18927	1.3
221.13358	1.3
223.14914	2.4
227.12794	1.4
227.17824	1.6
229.14418	1.9
229.19571	2.5
239.18086	3.6
241.19513	6.3
245.19167	1.4
247.20663	2.4
253.14398	4.6
255.15805	10.7
257.19107	8.0
259.20578	16.3
261.22156	1.4
263.20288	1.4
265.21411	1.1
267.15839	2.4
269.17468	30.0
271.20703	1.4
273.18576	2.5
275.20074	25.7
277.21671	1.4
277.90189	1.3
291.19611	2.2
293.21179	2.2
293.49701	1.5
297.22134	1.7
313.21707	1.8
315.23077	2.4
331.22672	3.5
333.24356	16.6
335.25699	1.9
349.23746	15.2
351.24689	1.1
353.24911	1.5
365.23422	2.0
365.97668	1.1
367.24622	5.0
395.27090	1.2
415.90707	1.3
435.32684	2.5
449.28979	4.8
453.33810	2.7
461.29056	1.2
463.30707	8.4
475.30194	1.8
485.31885	1.2
501.35660	1.4
513.35577	6.3
515.37372	2.3
527.37305	22.2
529.35431	1.5
531.37012	1.5
533.40033	1.2
543.36731	8.2
545.38165	3.9
561.37616	2.5
607.43433	6.4
625.44977	6.1
625.53339	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5621
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02944	3.6
65.03944	6.1
67.05507	100.0
69.03423	10.9
69.07072	39.7
70.03303	2.8
71.04982	20.5
73.06534	3.7
79.05067	6.2
79.05499	75.6
81.03434	16.6
81.07058	90.2
83.04984	12.6
83.08627	20.3
85.02921	7.6
85.06557	7.6
91.05486	86.8
93.07047	87.3
94.71746	2.8
95.04959	11.7
95.08613	55.3
97.02898	6.3
97.06540	15.4
97.10171	11.9
99.04444	3.9
99.08105	10.3
103.05444	3.5
105.04495	3.3
105.07032	70.1
107.04948	10.2
107.08598	51.1
109.06521	9.4
109.10162	27.9
111.04464	4.4
111.08102	5.5
113.09636	5.3
117.07015	31.9
119.08582	55.1
120.73370	2.9
121.06525	7.1
121.10158	28.7
123.08054	8.9
123.11732	7.9
125.09634	5.9
127.03910	5.1
128.06177	4.2
129.07007	24.7
130.07802	4.4
131.07690	5.6
131.08585	44.2
133.06538	3.6
133.10132	46.6
135.08044	7.4
135.11702	20.6
137.13190	3.3
139.11133	3.2
141.06982	6.5
142.07675	3.5
143.08562	18.7
145.10121	32.4
147.11716	27.7
149.09636	9.9
149.13258	15.5
151.11186	5.0
155.08580	11.2
155.79359	3.0
157.10201	19.2
159.11708	21.0
161.09656	4.2
161.13240	11.5
163.11235	8.5
165.12772	3.2
167.08592	4.9
169.10143	14.9
171.11647	21.7
173.11868	3.2
173.13185	14.3
175.11208	5.0
175.14812	5.5
177.12900	3.3
179.14362	3.9
181.10121	6.7
183.11711	12.2
185.13297	15.9
187.14745	5.7
193.10016	3.9
195.11792	5.7
197.13297	8.3
199.14845	6.2
207.11783	3.4
209.13231	8.1
211.14919	5.3
219.11765	3.9
223.14816	3.5
227.12796	3.8
229.19539	3.4
241.19464	5.4
253.14487	7.5
257.19006	5.5
259.20596	15.9
269.17435	6.0
275.20145	19.9
291.19449	4.0
315.23267	4.5
333.24365	22.9
335.25769	8.2
339.23114	3.7
349.23761	14.1
435.32327	3.9
471.34384	3.2
487.34433	4.0
513.35974	26.3
525.35583	5.3
527.37372	43.6
530.39124	4.0
531.96558	3.2
533.39746	5.0
559.39722	3.8
607.43781	34.6
625.44867	24.5
639.46136	6.8
671.40851	4.0
689.42053	6.4
796.27008	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	854.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	7.4
67.05509	68.8
69.03445	4.4
69.07066	20.3
71.04976	6.0
71.53689	2.6
73.33206	1.7
77.73738	1.9
79.05500	51.1
81.03439	9.5
81.07059	51.6
83.04989	9.1
83.08627	8.2
85.02894	2.8
85.06546	12.3
91.05481	45.3
93.07052	41.0
95.04974	72.3
95.08618	24.8
97.02875	2.7
97.06524	12.0
97.10159	5.5
105.07032	35.2
107.04957	16.1
107.08601	30.3
109.02832	2.1
109.05807	3.2
109.06528	59.0
109.10155	11.0
111.08044	3.9
113.06014	31.2
115.05399	2.1
117.07034	17.2
119.08595	24.7
121.06509	7.1
121.10128	14.8
123.08062	7.0
123.11700	2.5
125.09677	4.4
128.06209	3.9
129.07042	10.7
130.07884	2.1
131.08577	28.3
133.06505	5.0
133.10112	17.7
135.08064	48.3
135.11694	17.8
137.06020	2.7
137.09639	3.8
141.07013	3.8
143.08568	15.2
145.06473	4.9
145.10123	15.8
147.08044	6.2
147.11659	8.2
149.09616	12.4
149.13248	4.8
155.08580	4.4
157.10147	7.4
159.08023	2.6
159.11697	13.7
161.09657	9.2
161.13245	4.9
163.11197	9.5
169.10074	2.8
169.27710	1.7
171.11713	7.8
173.09636	2.6
173.11893	1.8
173.13309	5.1
175.11267	3.2
177.12709	4.6
179.14333	1.9
181.12277	2.1
183.11757	2.8
185.13237	3.6
189.11276	3.9
189.12862	2.6
195.13794	2.0
197.13322	2.8
199.14906	3.7
217.15884	10.7
227.12717	5.0
229.14340	2.5
233.15654	2.3
245.18985	3.2
255.15955	6.2
257.19012	3.4
269.17514	16.4
273.18509	35.4
275.20111	20.4
279.15787	2.4
281.10593	2.5
289.17944	2.3
291.19553	100.0
292.19809	2.5
307.19199	1.8
309.20477	3.0
333.24374	1.9
347.22021	12.5
349.23721	26.3
365.23279	23.4
367.24738	4.2
499.18539	6.7
501.31918	2.6
527.33649	2.5
541.35205	15.5
545.34625	15.8
559.36359	42.9
621.41266	14.0
639.42621	30.5
640.42682	2.1
657.43109	5.9
699.04187	2.0
703.39819	2.9
884.29803	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	854.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02902	1.4
65.03931	5.4
67.05506	89.7
69.03429	8.7
69.07069	32.4
70.12627	5.1
71.04987	7.7
71.72077	1.2
73.02926	1.6
73.74499	1.1
77.03928	1.9
79.05495	68.5
81.03422	12.8
81.07058	88.0
83.04987	16.1
83.08620	11.5
85.02910	5.5
85.06548	7.2
91.05481	100.0
93.07045	79.4
95.04965	17.1
95.08609	38.8
95.73950	1.1
97.02874	5.7
97.06532	13.8
97.10158	3.6
98.09716	1.6
99.04450	2.9
99.08073	3.9
103.05484	3.8
105.04520	2.9
105.07034	84.7
107.04959	11.6
107.08599	51.3
109.02878	1.4
109.06511	10.7
109.10162	59.5
111.04439	1.5
111.08096	8.0
113.05994	2.8
115.05459	4.0
116.06229	1.6
117.07008	22.0
119.04917	1.6
119.08588	47.0
121.06490	8.8
121.10155	21.0
123.04559	1.3
123.08079	7.6
123.11726	11.0
125.09663	2.7
127.03927	2.6
127.07557	3.0
128.06245	3.4
129.05548	2.5
129.06998	12.2
130.07794	1.4
131.08574	31.9
133.06508	4.0
133.10133	99.1
135.08070	12.0
135.11697	14.3
137.05956	2.1
137.09604	6.5
139.11197	1.5
141.07008	2.9
142.07787	3.4
143.08557	13.2
145.04999	1.5
145.06476	2.3
145.10126	25.1
145.11272	1.5
145.16823	1.3
146.07297	1.2
147.08055	4.2
147.11679	21.9
149.09615	12.9
149.13269	6.6
150.08792	1.2
151.11186	39.2
153.09108	1.7
153.12776	1.6
155.08562	4.4
157.10132	10.7
159.08015	2.5
159.11714	16.1
161.09654	9.2
161.13264	11.3
163.07674	1.1
163.11183	7.2
163.14877	1.4
165.09109	1.9
165.12813	1.6
167.08473	1.4
169.10147	4.6
169.12234	7.0
171.11725	11.7
173.13240	8.0
175.11217	4.0
175.14841	4.1
177.09111	1.3
177.12729	3.6
179.10655	4.0
179.14304	3.7
181.10124	1.6
183.11688	4.3
185.13266	5.3
187.11148	2.6
187.14807	3.3
189.12697	2.8
195.11804	1.2
195.13855	3.1
197.13263	2.8
199.14854	5.5
201.16368	1.9
203.14281	1.8
207.11589	1.4
207.13774	1.1
208.23538	1.3
211.14847	1.9
213.12901	1.5
213.16409	1.9
215.12770	4.7
215.18118	1.2
217.15884	1.5
225.12941	1.6
227.18068	1.6
231.17468	1.5
231.21074	2.9
237.16516	2.1
239.17859	2.9
241.19530	8.7
244.91811	1.2
245.19072	3.4
247.20610	1.3
251.12637	1.3
251.16321	1.7
253.14362	91.7
255.17644	1.5
257.18970	5.7
259.20578	23.9
263.20096	3.1
269.17496	5.6
271.15396	3.4
273.18530	19.0
273.21301	2.3
275.20053	15.9
277.21875	1.3
291.19525	16.5
309.20883	1.8
313.21332	1.8
315.23254	4.5
333.24283	24.8
347.22113	4.3
349.23761	7.5
363.21515	1.5
365.23203	19.8
419.29584	1.5
437.30493	2.1
447.27570	5.6
455.31418	2.7
465.28601	3.3
477.28592	1.4
501.35544	1.9
511.34241	8.9
529.35156	12.8
531.38354	1.9
541.35272	1.5
543.36163	1.7
545.34546	2.9
559.36267	15.3
605.41742	3.8
623.43097	22.8
639.42426	1.9
641.44104	2.2
813.48877	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	1.5
65.03946	3.0
67.05506	48.4
69.03083	0.6
69.03433	11.6
69.07070	33.5
71.05002	4.1
71.08619	1.0
73.02930	0.8
77.03902	1.1
79.05495	45.9
81.03421	8.7
81.07060	47.3
83.04546	0.7
83.04986	7.9
83.08144	1.1
83.08621	14.4
85.02914	2.9
85.06528	2.2
86.22980	0.5
87.04450	0.7
91.05482	44.3
93.07048	43.0
94.04214	0.6
95.01360	1.0
95.01948	0.5
95.04381	0.5
95.04978	11.3
95.08612	26.1
97.02897	10.8
97.06536	8.6
97.10176	14.5
98.09682	0.7
99.04422	1.1
99.08093	2.3
103.05473	1.4
104.06222	0.5
105.03385	0.7
105.04517	1.8
105.07034	42.8
107.04958	9.6
107.08598	29.7
109.02890	1.1
109.06522	5.1
109.10163	13.1
111.04436	1.7
111.08099	3.8
113.09589	0.6
115.05456	1.8
116.06260	0.8
117.07021	18.5
119.04927	1.5
119.08585	35.7
120.05677	0.9
121.06499	5.5
121.10145	15.2
123.04396	0.6
123.08077	5.5
123.11726	2.2
125.08762	0.9
125.09636	11.8
127.03909	2.1
128.06223	1.9
129.05467	1.4
129.07013	9.7
130.07791	1.7
131.08572	21.4
133.06540	3.6
133.10138	24.1
135.08064	5.2
135.11691	9.6
137.05989	0.7
137.09602	4.3
137.13240	0.6
139.11153	1.2
141.07039	2.2
142.07773	1.5
143.08556	8.5
143.10535	0.5
145.04974	1.2
145.06497	1.1
145.10127	16.8
147.08061	5.1
147.11691	16.8
149.09624	7.7
149.12192	0.4
149.13264	8.9
151.11166	2.1
153.09100	1.4
153.12697	0.7
155.08557	2.8
157.10120	7.0
159.08047	1.8
159.10435	0.9
159.11691	12.1
161.09669	2.8
161.13263	9.5
162.10434	0.8
163.11172	4.4
163.14908	1.1
165.09116	2.6
167.08577	0.9
169.08812	0.8
169.10118	3.2
171.10172	1.2
171.11667	7.2
173.04539	0.9
173.09703	0.6
173.11789	1.3
173.13263	5.4
175.11224	3.1
175.14848	3.4
177.12793	3.2
179.10641	1.0
179.14333	1.9
180.09215	0.6
181.10127	1.8
181.12189	0.8
183.11687	3.2
184.12343	0.5
185.09625	0.6
185.13240	5.1
187.11313	0.9
187.13223	0.5
187.14824	2.1
189.11224	7.5
189.12733	0.8
191.10632	0.5
191.14304	0.8
193.10493	0.6
193.12311	1.5
195.11725	1.6
195.13799	3.2
197.13268	2.1
199.11197	0.6
199.14821	2.8
201.12766	1.2
203.14336	0.9
203.17929	0.6
205.12263	3.1
207.13708	0.9
209.13318	1.2
211.13072	0.8
211.14879	1.2
213.12817	0.9
213.14685	1.1
213.16370	1.4
215.14365	0.7
215.17873	0.9
217.12250	1.0
217.15935	0.9
219.13773	0.7
223.13260	20.4
227.12733	7.0
227.17923	1.3
229.14360	0.9
229.19441	0.9
231.17549	0.8
231.21056	1.7
233.15398	1.0
237.16382	0.8
239.18013	2.0
241.19511	7.4
245.13855	0.9
245.19012	1.5
247.20595	1.1
249.14752	3.1
251.16498	0.6
253.14143	0.6
255.17566	1.3
255.21263	0.6
257.19016	4.8
259.20581	20.1
261.14804	0.7
263.19919	0.8
267.15973	0.7
269.14859	0.8
269.17490	9.3
273.18494	11.8
275.20090	12.8
291.19543	100.0
292.19910	1.7
293.17569	0.6
295.20773	0.6
297.22104	0.6
299.23575	0.9
303.15912	0.7
313.21686	0.7
315.23270	3.6
331.22604	0.8
333.24265	21.7
335.25748	1.4
347.22220	1.4
349.23734	8.9
359.06580	0.5
365.23239	29.9
366.23566	1.1
371.25272	0.6
379.21390	0.6
379.30008	1.6
491.30328	0.7
503.33691	1.1
513.36511	0.5
519.33368	0.6
525.35944	3.3
529.35352	1.3
531.37677	0.8
541.34998	1.4
543.36841	3.7
549.39282	1.1
559.36365	20.9
560.36505	0.9
571.36139	1.2
605.41797	2.5
623.43091	23.5
639.42395	3.9
641.43958	2.0
641.54871	0.5
657.42542	0.5
700.75110	0.6
825.83466	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70165	0.7
61.02912	1.3
65.03925	2.7
65.05342	0.7
65.27115	0.7
67.05508	44.9
69.03070	0.9
69.03433	10.0
69.07071	36.9
69.94354	2.5
71.04775	1.0
71.08641	0.8
73.02921	0.7
79.05495	43.6
81.03422	11.3
81.07060	52.0
83.04987	9.6
83.08625	14.2
85.02906	2.6
85.06532	2.8
87.04441	0.7
91.03974	0.7
91.04901	0.8
91.05484	33.4
93.07047	41.5
95.01342	0.7
95.04973	12.0
95.08611	23.8
97.02896	10.8
97.06532	10.8
97.10176	14.9
99.04436	0.9
99.08081	1.5
103.05456	1.3
105.03396	0.7
105.04541	1.5
105.07037	29.7
107.04957	11.3
107.08601	29.8
109.02886	1.5
109.06526	7.2
109.10161	14.5
111.04437	1.5
111.08073	3.6
113.09691	1.0
115.05449	1.7
116.06267	0.9
117.07019	14.0
119.04915	1.2
119.08588	20.2
121.06529	5.4
121.10146	12.2
123.04498	0.8
123.08066	3.4
123.11717	3.4
125.09638	11.5
127.03928	1.6
127.76566	0.6
128.06245	2.2
129.05492	1.3
129.07019	6.2
130.07759	1.0
131.08574	15.6
133.06487	4.5
133.07301	0.7
133.10132	16.4
133.11098	1.5
134.07300	0.7
135.08073	6.7
135.11699	8.8
137.09619	2.7
139.07585	0.7
139.11198	0.8
141.06970	2.1
143.08578	5.1
145.06517	2.0
145.10121	12.4
147.08058	7.1
147.11705	8.8
149.09631	8.1
149.13248	8.7
151.11182	4.3
153.09088	2.1
155.08536	2.4
157.10104	4.6
159.08060	2.1
159.11697	9.5
161.09634	3.5
161.13211	3.4
162.10374	1.2
163.11176	6.6
163.14774	0.7
165.09137	1.9
165.12766	1.1
169.10112	2.9
169.12198	0.9
171.07976	1.0
171.10176	1.7
171.11726	2.9
173.04517	1.1
173.09634	0.8
173.13263	4.5
175.11198	3.7
175.14789	1.0
177.09045	1.1
177.12759	4.6
179.10699	0.9
179.14323	2.0
181.10184	0.8
181.12195	0.9
183.11707	2.5
185.13278	2.0
187.11153	1.6
187.13254	1.0
187.14842	1.4
189.11224	7.3
189.12735	1.5
193.12260	1.6
195.11961	1.0
195.13829	3.7
197.13217	1.4
205.12282	2.4
213.14835	0.9
217.15843	0.7
223.13300	18.6
227.12772	16.7
227.17813	0.7
229.19463	1.6
233.15366	1.2
235.16994	0.9
238.93994	0.7
239.18037	1.5
245.13750	0.7
245.18965	1.5
247.20488	1.0
249.14822	3.6
253.14320	6.8
255.15672	6.1
257.18973	6.0
257.50583	0.7
259.20520	0.8
261.14807	0.9
263.16226	0.8
263.20132	1.6
267.15918	2.1
269.17496	17.2
273.18475	15.7
273.21274	1.2
275.16916	1.2
275.20065	25.2
291.19543	100.0
292.19830	1.2
293.17828	0.9
293.21170	2.0
309.20520	1.3
321.24353	1.3
331.22659	2.5
333.24185	1.4
347.22241	3.9
349.23758	25.9
365.23233	47.9
366.23590	0.9
367.24786	2.2
413.21896	1.4
423.23376	1.4
461.29031	1.7
479.29956	0.9
493.27737	1.0
517.31671	1.2
519.33154	1.4
527.33691	2.0
535.32581	2.2
541.35132	3.6
545.34741	19.3
557.32758	0.7
559.36310	59.1
560.36652	1.4
611.43048	1.2
621.41370	3.4
639.42590	33.3
640.42615	1.8
657.43628	4.6
703.39917	2.0
767.02667	0.7
854.45923	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	1.1
65.03931	4.0
67.05508	54.6
67.42287	0.6
69.03087	0.7
69.03432	12.4
69.07071	38.1
70.13924	2.5
71.05003	4.4
77.03918	1.3
77.74334	0.5
79.05494	50.3
81.03424	11.7
81.07059	65.9
82.07388	0.7
83.04984	10.7
83.08616	14.5
85.02905	3.1
85.06538	4.5
85.76636	0.6
91.05483	44.8
93.07046	47.9
95.01327	0.8
95.04974	13.5
95.08611	28.4
97.02894	9.8
97.06533	11.2
97.10172	16.1
98.20779	0.7
99.04485	1.3
99.08080	2.3
101.06040	0.8
103.05449	1.3
105.03406	0.6
105.04542	0.9
105.07034	35.5
107.04958	13.7
107.08597	32.2
109.02880	1.7
109.06516	6.2
109.10161	18.0
111.04433	1.8
111.08077	4.0
113.09634	0.8
115.05431	1.3
117.07021	16.1
119.04955	1.8
119.08582	24.4
120.05713	0.8
121.06512	8.5
121.10141	12.6
123.04435	1.3
123.08072	5.5
123.11716	3.9
125.09630	11.2
127.03902	1.6
127.07468	0.9
128.06200	2.1
129.05508	1.0
129.07019	6.7
130.07790	1.4
131.07587	1.1
131.08574	20.2
133.06505	4.3
133.09111	1.3
133.10127	25.4
134.07280	1.3
135.08046	7.4
135.11705	11.3
137.09599	3.7
139.11131	1.4
141.07008	1.7
142.07764	1.0
143.08563	7.3
144.09386	0.9
145.06520	1.5
145.10127	16.0
147.08058	6.7
147.11693	7.3
149.08539	1.0
149.09624	9.4
149.13260	9.7
151.11192	6.8
153.09117	1.7
153.12654	0.8
155.08551	2.0
157.10138	5.1
159.08052	1.6
159.11691	11.4
161.09605	5.0
161.13298	3.8
163.11205	6.2
165.09122	1.9
165.12825	1.1
169.10130	2.5
169.12256	2.1
171.08031	1.1
171.10304	1.2
171.11690	4.1
173.04463	1.9
173.09572	1.5
173.11957	0.6
173.13190	3.6
175.11214	3.5
177.09230	1.1
177.12779	4.2
179.10706	0.9
179.14340	2.0
181.12219	0.8
183.11732	2.5
185.13318	1.9
187.11169	1.4
187.14926	0.8
189.09526	0.7
189.11205	4.4
189.12646	1.4
191.14317	1.1
193.12210	0.9
195.12088	0.8
195.13824	5.5
197.13176	1.4
199.11200	1.3
199.14836	0.9
201.12849	0.7
203.14302	1.5
205.12219	1.4
209.11655	1.0
213.12866	0.8
213.14751	1.1
215.12726	1.0
219.13806	0.9
223.13300	17.0
227.12782	10.0
227.17860	0.8
229.19533	1.5
239.17957	2.2
245.13745	0.7
245.19008	2.1
247.20638	0.9
249.14859	3.9
251.16364	1.1
253.14354	15.8
255.15651	6.3
257.19022	6.0
263.16296	0.7
263.20114	1.5
267.15909	1.1
269.17487	26.4
271.15402	1.5
273.18503	18.7
275.16953	0.9
275.20053	19.2
291.19543	100.0
292.19904	1.3
293.21109	1.3
297.16852	0.7
309.20416	0.7
321.24448	0.7
329.21054	0.9
331.22784	1.9
333.24152	1.0
337.23486	0.8
347.22198	5.8
349.23730	17.8
365.23239	51.3
366.23569	0.8
367.24731	2.7
413.21704	1.1
423.24268	0.9
447.27679	1.3
449.29968	1.2
461.28946	2.7
465.28168	1.1
477.28110	0.7
479.30075	0.9
519.33362	1.0
522.89191	0.6
527.33612	1.7
541.35297	4.9
545.26880	1.2
545.34747	17.2
546.35315	0.7
553.23914	0.6
559.36316	77.6
560.36493	2.0
575.36066	0.8
577.37567	0.9
621.40961	2.3
639.42615	19.6
640.42664	1.1
657.43604	3.9
677.69098	0.7
703.40375	2.1
854.45123	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	854.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02657	0.9
61.02935	14.6
62.70475	0.9
63.74797	0.8
65.03941	4.0
67.05508	100.0
68.05844	0.9
69.03427	7.1
69.07072	19.9
69.71439	4.7
71.01337	1.0
71.05003	10.1
71.56606	0.8
73.02920	8.5
76.59428	1.0
79.05496	40.5
81.02982	1.3
81.03426	16.9
81.07061	80.4
83.01317	0.9
83.04986	9.9
83.08622	22.0
83.95348	0.8
85.02912	30.1
85.06540	6.3
85.70792	1.0
87.04458	2.7
91.03967	13.7
91.05483	29.4
93.07050	44.4
94.07381	1.3
95.04976	6.9
95.08610	22.4
96.04496	0.9
97.02895	15.7
97.06539	10.5
97.10170	10.5
98.58831	0.9
99.04465	2.6
99.08092	2.3
99.44234	1.0
103.03908	1.0
105.07037	11.3
107.04971	4.8
107.08601	32.1
109.02845	0.9
109.06506	2.7
109.10161	53.7
111.04476	2.1
111.08099	9.3
113.05987	1.3
115.03925	1.1
117.07024	8.9
119.08590	9.5
121.06520	3.7
121.10146	13.1
123.08076	2.4
123.11724	5.9
125.09641	10.4
127.03920	5.7
127.11223	1.0
129.05489	3.6
129.07025	2.9
131.08569	10.7
133.10138	17.7
135.08055	2.3
135.11708	12.7
137.09622	5.1
137.28612	0.8
143.10674	1.9
145.04965	5.8
145.10161	4.1
147.08032	1.3
147.11702	5.4
149.09642	1.7
149.13255	13.5
151.11194	1.6
153.12750	3.7
155.10683	5.3
157.08566	1.1
157.10089	1.2
159.11659	7.8
163.06020	7.0
163.11203	7.8
165.12740	2.2
173.04410	1.4
173.09653	1.5
173.11725	12.5
175.11174	1.8
177.12769	5.6
179.14314	1.0
181.12315	1.7
191.10686	3.0
193.12282	3.9
195.13809	12.9
199.13307	6.6
209.11711	5.8
211.13300	2.7
213.14859	2.1
227.12753	8.0
229.14362	49.9
239.16472	3.1
257.13800	2.4
265.14389	1.2
267.15952	10.7
269.17487	63.1
270.17838	1.0
275.20071	1.0
283.15390	7.4
285.16925	1.7
297.16986	1.7
301.13251	1.7
301.16461	16.2
301.19559	0.8
314.91879	0.9
323.18674	1.1
357.24347	1.5
393.26437	2.4
411.27380	6.8
415.11807	0.9
423.27448	54.5
431.27893	2.3
437.28989	3.7
449.28964	1.9
459.27200	1.9
463.30524	15.1
477.28473	3.9
495.29266	58.4
513.30579	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	854.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02643	1.0
61.02932	13.8
61.54646	0.6
64.67039	0.5
65.03944	2.5
67.05510	81.8
68.05823	0.8
69.03432	5.4
69.07073	15.6
69.28439	1.2
69.28847	4.0
71.01364	1.6
71.05001	5.3
71.25140	0.5
71.46450	0.6
73.02921	7.2
75.04478	0.6
79.05497	32.5
81.03426	14.0
81.07063	62.4
82.07423	0.7
83.01374	1.0
83.04989	9.9
83.08141	1.2
83.08627	17.1
85.02911	27.4
85.06548	4.0
87.04481	3.5
91.03966	12.2
91.04539	0.8
91.05486	25.2
93.07050	37.3
95.04976	6.7
95.08613	18.5
96.04498	0.9
97.02903	11.6
97.06539	10.0
97.10176	13.9
99.04484	1.0
99.08081	2.5
103.03964	1.6
105.04560	0.8
105.07042	11.1
107.04330	0.6
107.04957	3.1
107.08602	25.9
109.02878	1.6
109.06513	3.5
109.10165	49.3
111.04459	1.8
111.08086	7.1
111.99870	0.6
113.05994	0.5
115.03926	1.6
115.05516	0.7
116.04695	1.1
117.07037	8.0
118.55312	0.5
119.08590	9.3
121.06554	2.6
121.10139	9.8
123.08092	2.7
123.11724	3.4
125.06013	0.7
125.09634	11.4
127.03950	5.5
128.06256	0.7
129.05495	5.0
129.06995	2.7
131.08589	9.5
133.06508	0.8
133.10143	12.0
135.08057	2.2
135.11696	9.3
137.09650	3.3
143.07042	1.0
143.10683	1.6
144.06551	0.7
145.05002	5.5
145.06465	0.9
145.10161	4.0
147.08051	1.0
147.11699	4.5
149.09637	1.6
149.13274	10.4
151.11238	1.4
153.12746	2.6
155.08585	0.7
155.10641	4.8
157.08676	0.7
157.10139	1.6
159.11729	6.1
163.06042	6.3
163.11182	7.0
165.12793	3.6
171.06534	0.7
173.04478	1.0
173.09608	1.6
173.11755	12.6
173.13182	1.2
175.11198	1.7
177.12793	4.6
181.12207	3.0
185.11827	1.3
189.11288	1.1
191.10693	3.6
193.12218	5.7
195.13824	11.0
195.15477	0.9
199.13324	6.1
209.11765	7.9
211.13342	5.1
213.14888	1.2
217.14362	0.6
221.15417	0.8
227.12781	8.1
229.14368	49.8
230.14764	0.7
239.16386	5.8
241.14368	0.9
249.14915	0.7
255.16200	0.8
257.13840	1.6
265.14417	1.3
267.15915	13.5
267.18610	0.9
269.17493	52.5
283.15411	8.5
285.17072	2.0
295.19345	0.7
297.16968	1.3
301.16489	16.9
313.16412	2.7
323.18549	2.8
323.22003	0.6
339.23203	0.9
357.24246	2.2
393.26501	2.4
411.27448	6.2
417.95526	0.6
422.26227	0.8
423.27435	43.2
431.28021	3.6
445.20816	0.7
449.29028	4.0
459.27502	1.8
477.28577	5.1
495.29575	100.0
496.29962	2.3
513.30646	31.1
514.30585	0.6
639.33704	0.8
645.89154	0.6
657.34351	1.2
689.43719	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02645	0.8
61.02933	13.1
65.03930	2.3
67.05509	74.1
69.03439	4.3
69.06723	0.9
69.07074	13.9
69.70791	3.8
71.01349	1.3
71.04716	0.6
71.04998	6.6
73.02920	7.4
79.05499	30.3
79.05964	1.6
81.03418	10.6
81.07063	58.2
81.38551	0.7
83.04978	8.9
83.08152	0.9
83.08628	16.6
83.50575	0.6
85.02429	1.1
85.02912	20.6
85.06557	3.2
87.04456	2.5
91.03406	0.8
91.03960	10.4
91.05488	21.7
93.07049	34.4
95.04987	6.4
95.08614	18.9
97.02894	12.6
97.06538	8.4
97.09555	0.7
97.10178	11.0
98.21619	0.7
99.04454	2.1
99.08089	1.3
101.06012	0.7
103.03942	1.4
105.07036	11.2
107.04970	3.3
107.08601	22.9
109.02888	1.0
109.06489	2.4
109.10166	40.9
111.04451	1.0
111.08091	6.3
111.11683	0.9
116.04706	0.9
117.07026	7.6
119.08592	8.7
121.06501	2.9
121.10152	9.9
123.08068	2.0
123.11710	5.1
123.40898	0.6
125.09629	8.5
127.03905	3.8
129.05492	5.4
129.07013	1.5
131.08594	7.7
133.10146	11.2
135.08069	2.0
135.11700	9.1
137.09639	1.9
143.07086	1.2
143.10669	0.9
145.04985	5.2
145.10135	4.1
147.08041	1.0
147.11694	3.5
149.09654	1.4
149.13257	9.9
151.11208	1.8
153.09106	0.8
153.12711	2.3
155.10675	5.3
157.10139	1.2
159.11688	6.2
163.06026	6.0
163.11200	6.6
165.12750	2.5
173.09602	1.0
173.11749	10.2
175.11188	0.9
177.12772	3.9
181.12196	1.0
189.11215	0.8
191.10667	2.4
193.12262	3.2
195.13820	12.2
199.13312	4.7
209.11760	4.3
211.13274	2.1
213.14896	2.2
216.43980	0.8
217.14386	0.7
227.12781	7.7
229.14369	41.9
239.16472	1.8
257.13882	6.0
265.14404	1.1
267.15915	9.6
269.17490	59.7
283.15396	7.3
285.16968	1.8
297.16971	1.7
301.16464	14.8
339.21841	0.7
357.24277	1.7
393.26440	2.8
411.27188	6.6
422.26416	1.0
423.27423	45.9
431.27844	2.2
437.29163	1.3
449.28900	2.7
459.27441	1.1
463.30673	2.6
477.28592	5.2
495.29486	100.0
496.29831	2.4
513.30634	25.8
639.33252	1.0
799.10455	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.4
67.05509	43.5
69.03139	0.7
69.03432	9.2
69.07071	25.4
69.71002	1.8
69.71411	2.3
71.05013	3.3
79.05496	32.5
81.03426	8.5
81.07061	46.2
83.04987	8.4
83.08624	9.8
85.02890	1.1
85.06544	4.2
85.67004	0.7
89.80859	0.7
91.05486	42.1
93.07048	31.3
95.01292	1.1
95.04974	14.5
95.08612	15.7
97.02898	8.6
97.06525	6.7
97.10171	9.8
98.21526	0.8
99.04472	0.8
99.08092	0.9
103.05465	2.1
105.04487	1.6
105.07037	32.7
107.04964	12.1
107.07867	1.4
107.08599	27.5
109.06525	5.6
109.10164	26.6
111.04447	1.2
111.08078	3.0
113.06017	1.0
115.05488	1.6
116.06228	1.4
117.07016	10.7
119.04906	2.0
119.08576	16.2
121.06500	9.1
121.10164	7.7
122.94771	0.8
123.04393	1.9
123.08072	4.8
123.11702	5.0
125.05994	0.9
125.09627	6.5
128.06192	2.4
129.07010	6.1
130.07776	1.1
131.08586	13.3
133.06516	6.2
133.10143	37.9
134.07269	0.8
135.08073	9.2
135.11708	5.3
137.09608	2.3
139.07536	1.1
142.07751	1.2
143.08560	7.0
145.06487	1.3
145.10136	9.6
147.08038	9.9
147.11690	5.3
149.09637	7.0
149.13248	2.5
151.11200	14.9
153.09076	1.2
155.08542	1.9
157.10112	4.4
159.08022	2.6
159.11659	3.9
161.09595	6.7
161.13280	2.9
162.10445	1.1
163.07562	1.0
163.11171	2.6
165.09103	1.5
165.12663	0.9
167.08546	0.8
169.12189	3.4
171.08081	0.7
171.10378	1.0
171.11646	3.6
173.09573	1.0
173.13292	1.4
175.11205	5.3
177.09146	1.7
177.12737	1.7
179.10620	1.8
183.11667	0.8
185.09695	1.2
185.13211	2.1
187.11287	1.2
187.14767	1.0
189.11217	3.9
189.12704	1.5
193.12224	1.7
195.11719	1.9
195.13664	1.2
199.11205	1.0
203.10727	0.7
203.14276	1.1
205.12242	2.4
207.13762	0.8
211.13306	0.8
215.12802	2.1
217.15805	0.9
223.13283	14.5
227.12746	5.1
227.17824	1.9
231.13727	0.9
231.17317	0.9
237.16457	1.3
245.19020	5.0
249.14903	3.2
251.12674	1.7
253.14368	55.6
255.17621	3.3
263.20114	3.3
267.15878	1.3
271.15308	0.8
273.18506	34.0
275.20206	2.5
283.15369	1.0
291.19556	100.0
292.19968	1.2
309.20642	2.6
329.21161	1.4
347.22159	12.6
349.23669	1.5
365.23251	47.1
366.23462	1.1
423.24060	0.8
471.46942	0.8
517.31616	0.8
543.32568	4.0
557.34558	2.5
559.32538	1.6
561.34247	16.0
575.35986	1.5
623.42676	1.5
637.31598	1.2
637.41040	12.7
655.42163	37.0
656.41980	0.9
673.42908	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	852.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	2.8
67.05509	46.1
69.03438	11.0
69.07072	25.8
71.01344	0.8
71.05003	4.7
71.53682	0.8
77.03893	0.9
79.05499	33.8
81.03425	8.4
81.07063	47.1
83.04994	7.7
83.08623	10.1
85.02908	2.1
85.06547	5.0
91.05487	41.8
93.07052	30.7
95.04989	11.1
95.08614	17.5
97.02913	8.3
97.06533	6.0
97.10184	8.5
99.04447	1.3
99.08062	1.0
103.05479	2.0
105.04528	1.0
105.07039	33.6
107.04971	10.2
107.08605	29.0
109.02854	1.0
109.06511	6.9
109.10163	33.2
111.04449	1.5
111.08075	2.1
113.06014	1.3
115.05441	2.0
116.06239	1.3
117.07035	9.8
119.04951	1.6
119.08589	15.0
121.06528	8.3
121.10152	8.0
123.08076	6.4
123.11711	5.2
125.09640	6.4
128.06232	2.2
129.06999	5.2
130.08664	1.4
131.08577	13.4
133.06499	6.0
133.10139	43.5
134.07228	1.0
135.08054	6.6
135.11702	5.1
136.06154	1.3
137.09660	3.6
139.07500	1.4
142.07771	1.2
143.08566	6.4
145.06552	1.0
145.10136	8.4
147.08063	8.3
147.11734	4.9
149.09613	4.8
149.13297	1.8
151.11194	18.3
153.09065	1.3
155.08597	0.9
157.10136	3.1
159.08054	1.1
159.11665	4.3
161.09659	6.2
161.13243	1.9
162.10320	0.7
163.11142	3.5
165.09026	1.0
169.10117	1.2
169.12234	4.1
171.10307	0.9
171.11652	3.9
173.09628	0.9
175.11221	2.7
177.09137	1.2
177.12769	1.5
179.10654	1.9
181.10110	0.9
185.13303	1.1
187.11191	1.0
189.11157	2.2
189.12790	2.1
195.13908	0.8
197.11693	0.8
203.14305	0.7
205.12350	1.4
215.12785	2.2
223.13280	11.6
227.12711	4.0
227.17935	1.8
245.19049	3.8
249.14816	3.4
251.12888	1.4
253.14372	82.8
255.17610	3.2
256.24115	0.7
263.20108	2.3
267.15729	1.0
273.18512	31.5
291.19556	100.0
292.19913	1.0
309.20624	2.0
329.21045	1.4
347.22256	10.0
365.23257	48.4
423.23532	1.9
437.58826	0.8
526.69269	0.9
543.33478	4.2
557.34576	1.2
559.32507	1.5
561.34247	24.3
575.35718	1.4
637.41156	9.1
655.42084	34.3
656.41858	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	852.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
63.39562	0.7
65.03936	2.2
67.05508	43.7
69.03432	5.2
69.07075	11.0
71.04990	4.4
71.53483	0.8
73.06582	1.1
77.03926	0.9
78.35202	0.7
79.05499	29.7
81.03422	7.0
81.07063	45.3
83.04994	9.8
83.08620	4.7
85.02904	1.4
85.06535	3.8
86.89069	0.8
89.76816	0.8
91.05488	46.0
93.07053	33.1
93.07639	1.8
95.04979	7.8
95.08611	15.3
95.73782	0.8
97.02903	1.4
97.06551	4.3
97.10185	1.8
99.04469	2.4
99.08097	1.1
103.05502	2.0
105.04517	2.0
105.07041	39.8
107.04964	8.5
107.08604	28.9
109.06526	7.6
109.10164	37.0
111.04469	1.7
111.08089	2.7
113.06025	1.2
115.05443	1.3
117.07034	7.8
119.04912	1.5
119.08591	13.5
121.06504	9.9
121.10135	6.3
123.08076	5.2
123.11726	7.1
125.09600	1.5
126.17081	0.8
127.07577	2.6
128.06229	1.4
129.06996	2.8
131.08572	11.4
133.06534	4.1
133.10139	59.3
135.08076	9.0
135.11723	4.8
137.06000	1.0
137.09627	2.0
139.07536	1.6
139.11116	1.0
141.06999	1.0
142.07826	0.9
143.08560	5.3
145.06483	1.7
145.10147	6.3
146.07204	1.0
147.08023	4.1
147.11713	4.4
149.09621	7.2
149.13326	1.9
151.11197	28.7
153.12730	1.0
155.06023	0.9
155.08540	1.8
157.10117	3.7
159.08069	2.6
159.11697	3.2
161.09650	6.9
161.13255	1.5
163.07526	1.3
163.11214	1.3
165.12798	1.1
169.10127	1.8
169.12257	5.1
171.11699	3.2
173.09605	1.2
173.13277	1.2
175.11226	3.2
177.09119	2.5
179.10681	2.1
185.13266	2.6
187.11130	1.1
189.12761	1.5
195.11739	1.1
195.13766	1.0
197.11617	1.2
199.11075	0.9
205.01825	0.9
205.12086	1.0
213.12834	1.0
213.16408	0.8
215.12836	4.1
225.30132	0.8
227.17986	2.1
245.19011	4.4
251.12888	1.5
253.14368	100.0
255.17462	3.1
263.20056	3.8
271.15347	1.7
273.18515	30.4
291.19571	21.4
291.22455	0.9
309.20721	1.7
329.21136	1.9
347.22147	9.3
365.23230	28.1
366.23785	0.9
421.25958	1.7
449.25360	15.1
469.29495	1.5
511.99066	0.8
521.53741	0.9
525.32294	1.2
543.33240	9.6
550.71710	0.9
561.34308	10.2
637.40979	4.8
655.42035	20.2
743.30664	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	0.7
65.03926	1.1
67.05506	23.3
69.03428	7.5
69.07072	24.2
69.88293	2.5
71.04979	1.7
79.05495	20.3
79.05963	1.0
81.03416	4.7
81.07060	19.6
83.04984	5.6
83.08620	8.2
85.02892	1.2
85.06542	1.0
91.05482	15.1
92.06235	0.5
93.06481	1.0
93.07050	17.2
95.01321	0.6
95.04968	6.9
95.08057	0.8
95.08614	9.1
97.02901	8.1
97.06527	3.3
97.10174	11.6
98.20840	0.7
103.05471	0.9
105.03379	0.8
105.07034	14.1
107.04968	9.7
107.08601	12.0
109.02872	1.2
109.06529	3.1
109.10162	6.7
111.04434	1.7
111.08089	1.5
115.05443	1.3
116.06195	0.9
117.07008	7.0
119.04933	1.5
119.08578	12.6
121.06511	3.3
121.10147	5.1
123.04445	0.6
123.08060	2.8
123.11666	0.9
125.06003	0.8
125.09622	8.5
128.06252	1.0
129.05428	0.5
129.07011	3.6
130.07774	1.3
131.08571	9.0
133.06496	4.0
133.10132	5.6
134.07266	1.2
135.08063	4.0
135.11676	2.5
137.05922	0.6
137.09602	1.7
141.06987	0.9
143.08568	3.7
145.06485	2.0
145.10143	6.3
147.08058	5.1
147.11703	3.0
149.09618	2.7
149.13248	2.0
151.11244	0.7
153.09111	1.1
155.08533	0.9
157.10135	2.7
158.76054	0.5
159.08102	1.3
159.11714	2.8
161.09613	2.9
161.13231	1.3
162.10439	1.2
163.11176	2.1
165.09138	1.4
167.08600	0.5
169.10110	1.6
169.12216	1.2
171.10345	0.6
171.11667	2.4
173.09583	1.0
173.11807	0.6
173.13211	1.2
175.11226	3.0
177.12788	2.0
181.10074	0.6
183.11676	1.1
185.13293	0.9
187.11122	1.2
187.13138	0.6
187.14743	0.7
189.09656	0.5
189.11218	3.9
189.12688	0.9
193.12289	0.9
195.11768	0.7
195.13800	1.7
203.10724	0.5
205.12251	2.0
211.13356	0.8
213.12830	0.5
223.13287	15.4
227.12766	5.4
230.68054	0.5
231.17419	0.6
233.15321	1.6
245.19038	1.2
249.14880	3.3
255.17450	1.0
261.18484	1.2
263.20053	0.9
267.15805	0.9
273.18512	14.6
275.20020	1.9
279.16010	0.8
289.17947	2.9
291.19547	100.0
292.19791	1.4
297.13251	0.6
309.20590	1.0
318.02478	0.5
333.24252	0.7
347.22211	3.6
349.23959	0.6
353.87061	0.6
363.21576	2.2
365.23242	51.4
366.23431	0.9
486.50580	0.5
535.32666	1.2
557.34680	3.8
575.35748	2.2
621.41602	2.5
623.43018	0.7
637.40845	3.3
639.42584	0.6
655.42053	52.3
656.42096	2.0
673.42004	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	5.8
67.05488	1.2
68.05019	0.6
69.03404	1.0
69.07050	0.6
70.06595	20.4
71.08624	2.7
71.53571	0.3
72.08147	0.6
74.06078	0.3
79.01839	0.3
79.05470	0.9
81.03409	1.0
81.07038	1.5
83.08630	0.6
83.09123	0.3
84.08170	0.4
85.02890	0.6
85.10182	1.6
88.07633	25.1
91.05476	1.3
93.03369	0.6
93.07039	1.2
95.08622	0.6
97.02856	0.5
102.09187	19.4
103.01830	0.5
105.03403	0.7
105.06995	0.8
107.08582	0.5
109.10188	0.8
117.07028	0.5
119.08554	0.5
121.02873	2.0
121.10162	0.6
131.04924	0.5
133.02812	0.6
133.10132	0.4
139.03897	1.6
145.10103	0.5
147.04401	1.6
149.02356	79.8
149.03438	6.8
150.02707	0.6
175.03923	2.8
177.05510	1.6
191.07001	1.7
193.04970	44.0
212.23790	0.9
219.06554	2.9
225.05406	0.6
237.07582	9.6
256.26358	59.8
257.26663	0.4
269.04507	0.7
281.00266	0.4
297.03946	1.3
300.29083	1.0
313.07123	0.6
341.06616	3.6
343.08118	1.3
359.07828	2.2
385.09149	6.9
411.10669	0.4
429.11951	1.4
443.34158	0.4
533.11096	1.3
577.13428	8.2
613.79303	0.4
621.06494	0.7
621.16089	8.6
622.16083	0.4
640.35187	0.5
683.41663	0.4
733.83698	0.4
806.54431	0.5
832.39404	1.3
850.40070	100.0
851.40106	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	848.5
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04997	2.5
61.02926	11.9
65.03951	2.8
66.87661	0.6
67.05505	99.2
67.32529	0.6
69.03431	2.8
69.07068	9.3
69.74499	2.0
69.74892	1.2
71.05000	4.0
71.08614	0.7
73.02909	3.1
79.05492	23.2
79.33130	0.6
81.03416	1.4
81.07056	41.4
83.04984	1.0
83.08620	7.5
85.02905	14.6
85.03372	1.1
85.06546	3.5
91.03957	9.0
91.05476	15.3
93.07043	30.7
95.04956	1.4
95.08607	30.2
97.02895	8.6
97.06497	0.9
97.10173	1.8
99.04471	1.2
99.08086	1.2
105.04550	0.9
105.07029	8.8
107.08593	16.5
109.06523	1.1
109.10155	87.2
110.10520	0.7
111.08095	4.3
115.03943	0.6
115.36755	0.7
117.07019	3.4
119.07794	1.1
119.08580	13.1
121.10138	13.2
123.11708	3.2
125.09646	1.9
127.03915	4.2
131.08568	6.5
133.10126	6.1
135.11697	10.2
137.09595	3.9
137.13269	1.5
139.11253	0.6
145.04958	3.3
145.10124	4.9
147.11687	5.0
149.13246	6.0
155.10666	8.8
159.11725	4.7
161.13266	4.1
163.06007	4.5
163.14813	3.6
173.11754	16.1
173.13283	4.4
175.14868	1.3
177.16425	1.4
184.91972	0.6
187.14839	2.3
189.11168	1.0
201.16429	1.8
227.12779	6.2
229.14349	100.0
230.14801	1.1
243.21141	6.6
261.22147	25.7
261.28076	0.8
263.23538	0.7
317.24881	3.4
335.25793	81.9
336.26212	0.8
373.18530	0.9
379.29999	1.4
397.30908	1.3
415.32040	1.3
471.34750	3.0
489.35751	92.0
490.36148	1.9
507.36823	9.9
610.02563	0.9
633.39990	1.4
787.25806	0.6
848.51886	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05006	2.5
61.02927	10.4
65.03944	1.9
67.05508	82.3
69.03437	2.5
69.07074	7.4
71.05003	3.6
71.08627	0.7
73.02914	4.1
79.05496	16.1
81.03413	1.1
81.07062	32.5
83.04964	1.0
83.08620	7.2
85.02911	11.7
85.06546	2.0
91.03957	8.5
91.05484	11.8
93.07049	19.7
95.04980	2.0
95.08612	24.0
96.04516	0.4
97.02898	7.3
97.06548	1.4
97.10174	1.8
98.20796	0.8
99.04441	0.7
99.08091	1.0
103.04004	0.4
105.04510	0.6
105.07035	6.3
105.07689	0.6
107.07867	0.8
107.08601	13.6
109.02811	0.7
109.06531	1.0
109.10162	71.6
111.08096	3.6
115.03899	0.4
117.07018	2.5
119.08588	9.2
121.10153	10.0
123.08082	1.0
123.11712	3.5
125.09683	1.8
127.03925	3.1
128.54942	0.4
129.06966	0.4
131.08578	4.1
133.10153	4.1
135.11703	6.9
137.09628	3.5
137.13303	1.2
139.11156	0.4
145.04977	4.0
145.10126	3.8
147.11685	4.3
149.13295	4.8
155.10672	6.6
159.11703	3.4
161.13252	2.4
163.06026	5.7
163.14847	2.9
171.11710	0.5
173.11783	19.2
173.13284	3.4
175.14854	0.8
177.16402	1.0
179.14236	0.5
187.14845	1.6
189.11203	0.6
191.14139	0.5
227.12784	7.5
228.13310	0.4
229.14365	100.0
230.14757	1.2
233.22662	0.7
243.21129	5.2
259.20764	0.4
261.22168	17.3
263.23709	0.5
270.97479	0.4
279.23203	0.6
299.23618	0.6
301.26141	0.4
317.24652	3.0
323.31125	0.4
335.25815	64.7
336.26141	0.8
359.29785	0.4
373.18436	0.5
377.26816	0.7
379.29883	0.9
380.80688	0.4
397.30804	1.8
415.32056	1.5
433.33444	0.7
435.32156	0.6
449.32849	0.6
471.34958	2.5
489.35785	53.2
490.36047	1.4
507.36917	8.1
633.39453	0.9
848.50653	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	1.8
65.03939	1.5
67.05506	24.9
69.03446	1.3
69.07068	6.0
69.26875	4.6
71.04990	1.7
71.66142	0.4
73.02916	1.5
73.06538	1.3
77.03922	0.6
79.05495	39.2
81.03426	5.3
81.07059	22.2
83.04987	6.8
83.08627	4.0
85.02922	2.7
85.06539	1.3
91.03963	1.5
91.05486	30.6
93.07047	38.5
95.04968	11.6
95.08608	12.3
97.02872	1.8
97.06547	2.5
97.10172	2.3
103.05479	0.7
105.04535	1.7
105.07034	23.7
107.04948	3.8
107.08600	10.3
109.06541	3.9
109.10165	2.0
111.08106	0.9
117.07022	5.2
119.08577	15.6
121.06515	2.1
121.10120	2.7
123.08080	3.5
125.09692	0.6
128.06206	0.6
129.07002	11.7
129.07928	1.0
131.08571	1.5
133.06477	0.9
133.10139	6.7
135.11693	1.6
137.05995	1.0
143.08557	4.8
145.10117	6.5
147.08121	1.0
147.11691	22.8
161.09598	2.1
161.13261	7.8
163.11227	1.5
171.11697	17.4
178.14885	0.5
179.14285	0.6
189.12773	6.9
203.39574	0.5
204.85832	0.5
207.13812	13.3
207.16930	0.5
225.14836	1.3
263.16476	0.8
281.17480	37.5
334.23883	0.5
469.29214	2.5
487.30566	100.0
488.30573	2.5
531.50342	0.6
875.97253	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5025
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85300	0.5
59.76814	0.5
61.02787	3.4
61.03130	1.8
67.05357	4.2
67.05764	1.6
67.64235	0.5
69.03275	2.6
69.03682	1.0
69.06937	1.4
69.07316	0.9
69.36563	4.5
73.02766	2.8
73.03211	1.0
79.05326	5.6
79.05836	1.7
81.03295	1.0
81.06887	4.6
81.07397	1.1
83.04836	1.3
83.05264	0.5
83.08482	1.3
85.02728	4.4
85.03288	1.1
91.03777	2.1
91.05302	5.3
91.05920	1.1
93.06863	6.4
93.07498	1.2
93.18918	0.6
95.04845	1.0
95.05375	0.7
95.08414	3.1
97.02706	5.2
97.03375	1.0
97.06358	0.5
99.04303	0.8
101.02188	1.6
105.06841	3.9
105.07595	1.2
107.04793	0.7
107.08399	2.3
109.02708	1.2
109.06354	0.7
109.10005	1.0
117.06858	1.2
119.08377	3.7
121.09937	2.2
121.10751	1.0
127.03686	2.0
129.06882	1.1
131.08331	1.6
133.09903	2.7
135.11502	1.3
143.08409	1.0
145.09953	1.3
147.11430	2.8
159.11537	1.0
160.55653	0.5
161.13094	1.3
171.11465	1.6
185.03944	2.5
189.12605	0.7
201.03468	0.7
203.05040	1.0
243.08418	4.9
247.13110	3.5
260.16489	0.5
273.14441	0.8
281.17435	0.8
301.08725	1.9
303.15494	0.6
311.25641	1.1
313.08801	1.1
315.10168	1.2
317.20584	1.0
323.94672	0.6
355.13596	0.6
373.11160	1.4
397.18387	0.8
453.20901	0.8
465.21045	16.9
466.21326	0.6
481.20078	0.8
495.21988	0.8
533.26703	1.0
535.28833	14.9
537.23035	1.4
551.27771	2.4
597.37976	1.4
607.30353	1.5
621.32477	0.6
622.53156	0.6
677.35944	0.8
689.34515	3.0
690.36072	0.7
707.36108	1.4
729.41541	1.9
747.43066	3.9
757.44141	0.6
758.42310	0.8
759.42914	100.0
760.43213	4.0
827.49329	11.0
845.49835	33.2
846.50452	1.2
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
61.02934	3.8
67.05512	4.4
69.03436	2.6
69.07079	2.0
71.01361	0.5
71.04993	0.8
73.02922	2.9
75.04470	0.2
79.05495	4.8
81.03426	1.8
81.07064	4.7
83.04977	0.6
83.08630	0.8
85.02908	4.4
85.06550	0.3
91.03967	2.1
91.05490	4.0
93.07045	4.4
95.04974	0.9
95.08610	3.1
97.02885	3.5
97.06515	0.6
97.10189	0.4
98.21631	0.6
99.04457	0.6
101.02393	1.5
105.04550	0.3
105.07024	3.2
107.04987	0.4
107.08588	2.7
109.02898	0.7
109.06483	0.3
109.10176	0.9
115.03992	0.4
117.07030	0.9
119.08605	2.1
121.06527	0.3
121.10128	1.6
123.08106	0.4
123.11738	0.2
125.09709	0.3
127.03947	1.0
129.05481	0.4
129.07030	0.5
131.07748	0.3
131.08553	1.3
133.10127	2.3
135.08043	0.3
135.11703	1.5
143.08656	0.4
143.22928	0.3
145.10187	0.8
147.11707	1.5
149.09631	0.4
149.13307	0.6
157.10201	0.4
159.11739	0.7
161.13332	0.6
171.11703	0.4
173.13281	0.3
184.07434	0.6
185.04216	0.8
203.05382	0.6
221.11545	0.3
229.46962	0.4
243.08453	3.8
259.20654	0.4
269.17444	0.3
301.09036	1.2
313.08804	0.5
315.10620	0.8
317.20868	0.3
333.20389	3.6
355.13553	0.4
373.11343	0.8
373.23782	0.6
383.16562	0.3
385.18616	0.3
387.12924	0.3
389.22983	0.3
397.18234	0.3
409.95236	0.3
429.17468	0.4
431.24362	0.4
439.19427	1.0
453.21143	1.0
465.21265	1.1
469.20468	0.5
525.23535	0.3
535.28827	7.3
535.36670	0.4
541.22925	0.4
545.39948	0.3
551.28333	6.8
623.30078	1.4
637.31232	0.4
651.33624	0.4
683.44464	0.5
707.39294	0.3
845.50232	100.0
846.50421	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	843.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	4.4
65.03893	0.6
67.05502	7.0
69.03388	2.1
69.07073	4.3
73.02879	3.0
79.05496	7.5
81.03376	3.3
81.07051	7.3
83.04942	1.2
83.08585	1.5
85.02921	4.0
91.03925	1.7
91.05484	6.8
93.07038	5.9
95.04932	1.2
95.08593	4.6
97.02897	3.7
97.06474	1.9
98.20681	1.3
99.04456	0.8
99.08092	0.8
101.02332	1.7
105.07009	5.3
107.04928	1.9
107.08549	3.3
109.02828	1.4
109.10127	1.6
117.07058	0.9
119.08592	4.6
121.10104	1.3
127.03848	1.1
129.06966	0.8
131.08566	1.5
133.10083	1.8
135.11653	1.3
141.45389	0.7
145.10092	1.0
147.11703	3.5
159.11668	1.2
161.13234	1.7
163.11180	1.5
171.11642	2.3
179.14342	1.3
185.04228	1.0
187.11180	0.7
207.13802	0.8
229.62624	0.8
243.08423	4.2
247.12996	1.7
275.20032	1.6
277.21548	0.8
301.08826	1.1
315.19296	9.1
371.21832	2.2
391.25543	0.7
465.21054	18.1
533.27319	18.1
546.38971	0.9
551.28168	2.5
595.36456	1.3
628.45782	1.2
663.33337	0.8
677.35718	0.9
727.39941	2.4
745.41309	4.6
756.40698	1.2
757.41339	100.0
758.41010	4.1
825.47552	12.0
843.47980	34.6
844.48663	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76109	0.3
61.02925	3.2
67.05507	6.0
68.05850	0.5
69.03448	2.5
69.07068	2.5
71.01358	0.3
71.04990	0.7
73.02924	3.6
75.57605	0.4
79.05495	5.8
80.05861	0.3
81.03426	1.9
81.07056	5.4
83.04953	0.5
83.08620	1.1
85.02909	3.9
85.06536	0.5
87.04470	0.5
91.03989	2.3
91.05489	5.0
92.05801	0.6
93.07043	6.4
94.07388	0.5
95.04962	1.4
95.05601	0.3
95.08607	4.0
97.02892	4.0
97.06553	1.0
97.10210	0.5
98.45750	0.4
99.04458	0.8
101.02393	1.4
105.07043	3.8
106.07385	1.0
107.04935	0.4
107.08601	2.8
108.08969	0.4
109.02902	0.7
109.06531	0.5
109.10168	1.9
115.03963	0.5
117.07017	1.0
119.08578	3.4
120.08976	0.5
121.10155	1.9
127.03941	1.3
129.05534	0.6
129.07033	1.1
131.08578	1.8
132.08885	0.4
133.10129	3.6
135.08049	0.7
135.11748	1.3
143.08589	1.0
145.10133	1.2
147.11726	1.6
149.09737	0.4
151.11223	0.5
157.10168	0.7
159.11693	1.0
161.09673	0.4
161.13329	0.7
169.88805	0.4
171.11736	0.6
172.85869	0.4
173.13289	0.5
185.04221	0.9
193.12299	0.7
203.05226	0.4
228.77170	0.4
243.08423	3.7
255.17438	0.4
259.20551	0.5
288.36694	0.4
293.20685	0.4
301.09113	1.4
313.08954	0.5
313.17813	0.9
315.10602	1.5
317.21161	0.5
331.18735	3.4
369.15286	0.6
373.11075	0.5
373.23813	0.5
385.18411	0.5
397.18646	0.6
451.19424	1.2
465.21048	1.1
531.25751	1.9
535.28778	6.8
549.26746	2.9
603.27533	0.6
607.31183	1.1
612.45972	0.5
621.28931	0.6
745.41779	0.8
825.47565	6.3
843.48602	100.0
844.48981	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	843.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.5
62.99492	0.4
67.05502	5.4
69.03429	2.9
69.07069	4.0
69.16187	4.5
69.58881	0.4
71.05009	0.6
71.08643	0.6
73.02921	2.7
74.18186	0.4
77.40632	0.4
77.78118	0.4
79.05496	4.4
81.03420	1.5
81.07059	5.7
81.42122	0.4
82.42522	0.4
83.04984	1.3
83.08607	1.1
85.02912	3.9
86.09736	0.5
86.58341	0.4
91.03982	2.0
91.05483	4.6
93.07047	3.4
95.01331	0.6
95.04980	1.0
95.08610	2.9
96.91063	0.4
97.02912	3.2
97.06528	1.2
98.20742	1.1
101.02391	1.6
103.03952	0.6
105.07054	3.6
107.04977	1.3
107.08595	2.4
108.20416	0.4
109.02831	0.4
109.06545	0.7
109.10188	1.2
112.53774	0.4
114.30482	0.4
117.07059	1.1
119.08594	3.0
121.06565	0.6
121.10156	1.4
123.08089	0.6
123.11740	0.6
125.09588	0.7
125.37685	0.4
127.03915	0.9
131.08592	1.1
133.10107	2.5
135.11740	1.0
145.10152	1.6
147.11742	1.1
149.09668	0.6
159.11760	0.9
161.13283	0.6
163.35345	0.4
169.10115	0.4
177.12766	0.6
179.14307	1.0
180.24191	0.4
184.07426	1.6
243.08437	3.6
245.14073	0.6
275.20160	0.7
313.27652	0.5
315.19324	3.6
333.20444	1.5
371.22144	1.5
389.23044	0.5
439.19553	1.0
444.22726	0.4
453.21179	1.2
469.20346	0.6
484.37335	0.7
533.27155	9.7
551.28296	5.7
843.48627	100.0
844.48486	4.5
853.66949	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02940	3.1
63.68476	0.6
67.05512	7.8
69.03439	2.7
69.07076	4.2
69.87690	2.7
73.02935	3.5
79.05498	6.6
81.03426	1.9
81.07063	9.2
83.04998	0.9
83.08630	1.9
85.02922	3.6
86.09751	0.7
91.03982	2.4
91.05486	6.6
91.05965	0.8
93.07059	7.2
95.04995	1.2
95.08617	4.4
96.08923	0.7
97.02898	4.2
97.06543	1.9
97.10231	0.8
99.04461	0.7
101.02394	1.2
105.07048	4.9
107.04977	1.1
107.08604	4.1
108.08991	0.6
109.06550	0.9
109.10171	2.4
112.49747	0.7
117.07054	1.4
119.08557	3.2
121.10146	1.9
123.11726	1.0
125.09705	0.6
127.03909	0.8
131.08607	2.0
133.10144	2.4
135.11711	1.1
145.10176	1.6
147.11726	1.7
149.09715	0.9
149.13275	0.8
159.11725	1.7
184.07433	2.1
229.14577	0.8
243.08501	2.7
275.20126	1.3
276.20648	0.8
304.42395	0.7
308.46689	0.8
315.19388	5.3
333.20471	0.7
335.25891	2.5
336.26239	1.8
367.24829	0.7
439.19507	1.3
451.97281	0.7
453.21240	1.7
530.39563	1.6
533.27386	6.5
535.28497	0.7
551.28326	5.3
610.45459	1.7
620.37189	0.7
628.46997	0.7
655.20013	0.8
704.70172	0.7
745.42267	1.3
843.48657	100.0
844.48560	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	843.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49479	0.3
61.02928	3.0
63.98457	0.3
66.93058	0.3
67.05508	4.3
68.03442	0.3
69.03424	2.1
69.07071	3.4
71.01366	0.7
71.05004	0.5
73.02921	2.8
79.05503	3.5
81.03408	2.1
81.07063	4.8
83.05017	0.4
83.08648	0.7
85.02908	3.4
85.06569	0.3
86.09702	0.4
87.04488	0.4
91.03954	2.1
91.05492	3.6
93.07046	3.5
95.04967	1.0
95.08627	2.7
97.02898	3.4
97.06551	1.2
97.10181	0.3
99.04468	0.7
101.02385	1.3
103.03925	0.4
103.17972	0.3
105.07045	3.3
107.04991	0.7
107.08598	2.4
107.34158	0.3
109.02895	0.5
109.06548	0.6
109.10160	0.8
117.07025	1.7
119.08572	2.2
121.10199	1.0
123.08044	0.4
123.11685	0.4
125.09681	0.5
127.03939	1.1
129.07027	0.6
131.08545	1.5
133.10121	2.0
135.08084	0.3
135.11731	1.1
143.08662	0.4
145.10196	1.1
147.11694	0.8
149.09590	0.7
149.13330	0.3
155.08609	0.3
159.11757	0.8
161.13235	0.6
167.00923	0.3
175.11237	0.4
179.14339	0.5
184.07358	1.3
185.04271	0.8
203.05360	0.6
243.08391	3.0
275.20145	0.6
291.19461	0.4
301.09186	0.6
313.09421	0.5
315.10416	0.5
315.19257	2.5
331.18933	0.5
333.20435	0.7
371.22107	1.1
373.11029	0.5
439.19678	0.6
453.21295	0.9
533.27228	8.7
535.29034	1.7
549.26520	1.9
551.28296	2.5
843.48627	100.0
844.48914	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	842.5624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	1.0
61.02922	3.9
65.03941	3.7
65.97037	0.9
67.05508	87.2
67.42377	0.8
67.67437	0.9
69.03435	3.6
69.07071	22.2
70.68340	1.8
71.04990	4.1
71.08636	2.1
72.20296	0.8
73.02924	1.2
75.82114	0.8
77.03925	1.7
79.05495	45.3
81.03426	2.5
81.07059	74.3
83.05007	5.1
83.08625	16.5
85.02911	3.3
85.06533	2.8
91.05486	33.0
93.07048	53.6
95.04990	5.5
95.08611	46.3
97.02836	2.0
97.06523	8.3
97.10165	10.1
99.08090	3.0
105.04558	1.8
105.07029	25.6
107.04948	2.6
107.08597	34.8
109.06542	3.4
109.10161	40.1
110.15462	0.9
111.08083	4.2
113.09670	0.9
115.05483	1.0
117.07022	11.5
119.08594	20.8
121.06519	1.8
121.10155	22.2
123.08073	1.8
123.11729	7.1
125.09628	8.9
127.03940	1.6
129.07022	3.1
131.08586	14.7
133.10144	19.2
135.08060	3.0
135.11693	13.5
137.09630	3.4
137.13284	1.7
139.11227	1.4
143.08571	3.1
145.10124	12.0
147.11682	10.6
149.09618	3.2
149.13278	10.2
151.11186	1.4
155.08571	1.4
155.10683	2.9
157.10156	2.2
159.11691	11.4
161.13316	4.9
163.11208	3.4
163.14879	3.4
165.12877	1.2
169.10196	1.5
171.11690	3.0
173.11757	6.0
173.13309	6.0
175.14842	2.0
177.12813	1.5
177.16512	1.8
179.14363	1.4
183.11595	1.9
185.13144	1.6
187.14850	2.4
189.11206	4.5
195.11945	1.0
195.13791	2.5
197.13229	1.7
199.14941	1.5
204.08826	0.9
227.12767	12.3
229.14351	27.4
239.17949	1.7
241.19611	1.2
243.21103	4.1
245.13835	7.9
257.19016	3.6
259.20544	2.3
261.22134	13.8
269.17480	14.3
275.20090	17.9
293.21140	3.3
313.27469	4.5
316.36090	1.0
317.24771	3.1
317.35513	0.8
331.22696	1.1
333.24310	1.7
335.25812	100.0
336.26324	1.4
349.23776	14.8
351.25827	1.1
367.24808	11.8
367.29736	1.3
471.34805	1.4
483.36600	5.1
489.35748	31.4
505.34967	1.4
507.36832	2.7
529.38898	45.7
535.28558	1.0
547.39758	1.2
609.45148	29.7
610.45105	2.0
627.46222	18.9
842.46820	4.5
843.48871	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	841.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46056	0.1
66.92377	0.1
67.01864	0.2
68.99800	0.1
69.03422	0.5
71.04607	0.1
71.04996	2.2
71.18237	0.2
71.18556	0.2
75.04486	0.1
81.03412	0.5
83.04975	0.2
85.02909	3.7
85.05029	0.1
87.00820	0.4
87.04441	0.2
95.04978	0.1
97.02895	0.5
99.04456	0.3
105.01855	0.5
105.50845	0.1
109.02856	0.6
111.04464	0.2
123.04420	0.2
127.03925	1.2
129.05475	0.4
133.06491	0.7
135.04419	0.3
137.05986	0.2
145.04996	0.3
147.04379	0.4
147.90857	0.1
153.01834	1.2
159.02948	0.3
159.04414	0.3
171.02882	0.2
172.65131	0.1
174.16075	0.1
231.05055	0.3
242.05750	7.1
243.06245	0.1
270.02255	0.3
270.05237	8.1
285.07574	100.0
286.07910	1.6
447.12955	1.1
609.17822	0.4
669.12231	0.1
695.18188	5.5
695.30310	0.3
696.18225	0.2
723.34015	0.2
732.78119	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	841.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	3.0
67.05510	7.7
69.03429	3.7
69.07069	4.0
69.76842	2.3
71.01357	0.8
71.04997	1.2
73.02915	2.6
79.05496	6.1
81.03410	2.7
81.07062	9.2
82.07420	1.0
83.05000	1.8
83.08646	1.1
85.02914	4.1
91.03962	1.9
91.05487	6.6
92.05816	0.5
93.07044	6.1
94.07368	1.0
95.01344	0.8
95.04988	2.1
95.08608	6.2
96.08946	0.7
97.02894	4.2
97.06536	2.8
97.10194	0.6
99.04485	1.1
99.08131	0.4
101.02382	1.1
105.04546	0.7
105.07038	7.3
107.04993	1.9
107.08603	3.4
109.02911	0.9
109.06532	1.8
109.10161	2.4
111.08091	0.7
117.07041	2.7
119.08592	4.2
121.06576	0.8
121.10204	2.1
123.08115	0.9
127.03939	0.8
129.05486	0.5
129.07018	0.8
131.08598	2.3
133.10149	5.0
135.08076	1.0
135.11728	1.0
143.08571	0.7
145.10159	1.3
147.11726	1.6
149.09660	1.1
149.13258	0.7
151.11249	0.6
157.10135	0.7
159.11755	1.3
161.13303	0.7
171.11761	0.5
173.13321	0.5
177.12831	0.6
179.14578	0.5
185.04309	0.6
193.12341	0.9
195.11792	0.6
195.13582	0.5
195.89442	0.5
203.05331	0.8
243.08434	3.4
266.05951	0.5
273.18646	1.0
275.20074	0.8
291.19635	0.6
302.53705	0.5
315.19339	2.5
319.36603	0.6
323.10736	0.5
331.18713	2.1
334.24570	0.5
335.25815	1.4
336.26376	1.0
371.22089	1.1
387.21704	0.6
427.47449	0.5
451.19440	1.1
531.25751	2.2
533.27271	9.6
549.26813	2.6
605.29596	1.6
743.39868	2.0
772.40240	0.8
823.46136	7.1
841.47070	100.0
842.47198	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	840.546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04999	2.2
61.02932	4.7
65.03939	4.7
67.05505	100.0
69.03424	7.1
69.07069	58.9
71.05000	4.5
73.02899	2.8
79.05492	66.8
81.03424	7.0
81.07056	85.2
83.04985	7.4
83.08616	12.6
85.02895	6.7
85.06533	3.6
91.05482	56.4
93.07043	73.3
95.04974	14.2
95.08607	60.7
97.02883	6.1
97.06528	15.4
97.10163	8.1
98.84130	1.0
99.08068	2.6
103.05452	1.3
105.04527	2.2
105.07030	47.3
106.07302	1.0
107.04944	7.3
107.08601	33.5
109.02843	2.0
109.06514	4.9
109.10157	35.7
111.08072	5.4
113.09628	2.5
115.05439	1.6
116.04694	1.4
116.06219	0.9
117.07021	15.8
119.08585	32.0
121.06489	3.0
121.09328	1.8
121.10147	28.4
123.08110	5.1
123.11713	7.5
125.09630	6.8
126.00902	1.0
127.03901	1.7
127.07537	1.1
128.06200	1.3
129.05528	1.8
129.07011	7.4
130.07764	1.7
131.08574	22.6
132.07875	0.9
133.06488	1.5
133.10133	25.4
135.08017	2.9
135.11681	16.1
137.09628	11.2
139.07608	1.1
139.11183	1.2
141.06953	2.2
142.07741	1.7
143.08586	5.9
145.10124	15.2
147.08118	1.2
147.11693	14.0
149.09616	16.9
149.13261	7.0
151.11191	2.3
153.09108	1.1
155.08539	3.3
155.10609	2.2
157.10144	5.3
159.11690	13.8
161.09666	1.5
161.13261	9.5
163.11180	7.5
163.14810	2.0
165.09119	1.3
165.12640	1.7
169.10133	3.0
171.10112	2.5
171.11682	5.2
173.11726	5.0
173.13251	8.1
175.11192	1.4
175.14833	2.9
177.12726	2.5
177.16324	1.0
179.14272	3.5
183.11694	2.2
184.13290	1.0
185.13271	3.3
187.14859	3.2
189.11205	2.1
189.12799	1.6
195.13896	1.4
197.13234	3.0
199.14792	2.2
211.14854	1.3
213.16457	1.3
223.13095	1.3
227.12689	3.2
229.14374	5.4
229.19469	3.2
234.03860	1.0
237.16574	1.3
239.17957	1.4
243.20955	2.0
247.20491	2.1
257.18875	4.5
259.20563	3.2
261.22165	7.0
269.17325	1.2
273.18448	2.3
275.20059	27.5
277.21576	2.4
291.19501	6.4
293.21088	3.7
317.25012	1.3
321.24185	1.3
331.22922	1.0
333.24048	2.0
335.25806	64.3
336.26132	1.4
349.23727	42.3
350.23883	1.2
351.25439	1.5
365.23068	2.1
367.24985	1.4
383.24490	2.4
431.31488	6.3
439.35605	1.0
489.35663	22.6
513.39362	7.1
515.37097	4.5
529.38959	1.7
609.45148	47.2
610.45251	1.9
627.46069	8.8
643.46082	1.0
705.10187	1.2
840.53809	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	840.5471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	1.8
61.02936	1.5
61.22312	1.2
65.03937	2.8
67.05513	47.6
67.65378	1.3
69.03420	4.2
69.07069	19.1
70.11227	4.6
70.11609	2.8
71.04979	4.8
75.46313	1.1
76.17823	1.2
79.05501	51.6
81.03413	3.5
81.06587	2.4
81.07066	44.3
83.04974	5.0
83.08218	1.7
83.08628	21.1
85.02915	2.8
85.06557	2.9
91.03967	1.4
91.05492	46.5
93.06481	2.9
93.07051	46.7
95.04960	5.9
95.08617	27.2
97.02901	3.2
97.06555	6.6
97.10183	30.5
98.20781	1.3
98.52831	1.4
103.05466	1.8
105.07043	45.3
107.04951	3.6
107.07874	2.6
107.08604	48.2
108.06555	1.2
109.02959	1.3
109.06525	5.6
109.10160	22.1
111.08083	3.3
113.09570	1.4
115.05457	2.6
117.07027	19.4
119.08599	37.7
121.06484	2.2
121.10149	17.2
122.10252	1.2
123.08057	2.6
123.11740	11.5
125.00110	1.3
125.09641	22.0
127.03986	1.5
128.06239	3.5
129.07004	13.0
130.07835	1.7
131.08589	23.6
133.10150	30.5
135.08063	5.0
135.11737	11.1
141.07010	4.2
142.07834	2.3
143.08582	14.6
145.10155	23.1
147.08035	1.6
147.11687	19.0
149.09631	4.4
149.13277	3.7
151.11188	2.6
153.06973	1.6
155.08568	7.7
156.09229	1.7
156.58824	1.2
157.10150	15.7
159.11731	15.4
161.13303	13.7
163.11157	2.8
167.08513	3.0
169.10123	10.3
169.12088	1.2
171.10196	2.4
171.11630	11.1
173.13228	10.9
175.14850	6.2
179.08353	1.4
181.10120	3.4
183.11717	10.1
184.07291	3.5
185.13286	11.0
187.13264	4.4
187.14856	6.0
189.11276	12.0
189.12784	2.4
189.16431	1.5
193.10095	2.0
195.11655	4.5
197.13341	9.1
199.14886	7.1
201.16364	2.2
207.11700	2.1
209.13345	4.0
211.14909	6.3
213.16405	3.9
221.13298	2.3
221.15239	1.5
223.14853	3.5
225.16371	3.7
227.12788	22.2
227.17957	3.7
229.19482	1.8
231.17427	1.7
231.21022	1.6
235.14798	2.9
237.16402	3.6
239.17902	4.1
241.19563	5.5
243.15843	7.6
245.13844	1.8
249.16412	2.0
253.19525	2.2
257.19016	8.4
259.20612	14.5
273.22168	1.7
275.20111	13.1
281.22534	1.5
283.20590	1.6
295.20303	1.7
309.21982	1.6
315.23199	1.7
331.22787	2.1
333.24268	16.8
349.23889	12.7
351.25568	1.9
361.25223	1.7
363.26611	1.7
365.28439	12.8
381.31735	3.1
383.29456	5.5
403.30066	1.5
421.31079	3.1
439.31952	5.5
479.36218	1.7
503.33603	2.8
513.35846	11.3
515.38934	6.5
517.34662	2.9
533.39874	7.8
536.79572	1.5
543.36499	3.0
551.40924	2.9
555.37531	1.6
589.42438	2.5
607.43640	54.8
608.43799	2.0
625.44653	100.0
626.44666	3.4
787.49182	1.8
840.44995	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	840.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	5.2
65.03943	6.2
67.05510	98.0
69.03430	9.4
69.06730	3.0
69.07073	42.3
70.03899	6.3
71.04983	6.2
73.02901	2.6
75.48354	1.6
77.03902	1.5
79.05499	91.0
81.03432	13.6
81.07063	100.0
81.69389	1.6
83.04989	12.4
83.08630	23.0
85.02898	7.5
85.06554	4.0
91.05488	93.6
93.07050	95.6
95.04962	12.9
95.08613	61.9
97.02884	4.7
97.06535	15.9
97.10171	10.0
99.08125	4.4
103.05443	3.6
105.04522	2.8
105.07041	94.1
107.04948	6.3
107.08605	51.6
109.02907	2.3
109.06518	6.3
109.10172	24.7
111.08115	8.2
113.09652	2.5
115.05453	4.0
117.07024	37.0
118.97366	2.1
119.08590	67.5
121.06512	6.8
121.10149	32.5
121.29819	1.8
123.08064	4.9
123.11752	8.9
125.09615	5.5
127.03905	3.6
128.06224	7.6
128.29352	1.9
129.05525	2.8
129.07008	23.5
130.07811	3.4
131.08572	46.4
133.06517	3.5
133.10141	56.7
135.08054	5.9
135.11690	27.2
137.09631	3.9
138.90733	2.3
141.06989	5.7
142.07774	5.1
143.08592	23.7
145.06500	1.8
145.10126	43.3
146.10895	2.1
147.11697	33.0
149.09624	11.8
149.13300	17.7
151.11183	4.2
153.07037	2.8
154.07823	2.3
155.08580	12.7
156.09363	3.3
157.10129	25.2
159.11707	30.3
161.09569	3.1
161.13290	16.1
163.11166	7.3
163.14830	2.0
165.07022	2.6
165.12741	2.5
167.08569	6.2
169.10118	13.8
171.11702	20.2
173.04462	3.3
173.09669	2.6
173.13263	16.1
175.11211	2.9
175.14828	7.8
177.12733	4.2
179.08507	2.2
179.14288	3.4
181.10123	9.0
181.12250	1.7
183.11694	11.5
185.13249	13.6
187.14835	6.4
189.12737	2.2
189.16402	3.7
193.10172	2.0
195.11687	7.6
195.13568	3.4
197.13205	7.8
199.14792	8.9
201.16380	3.2
207.11702	3.5
209.13219	5.7
209.67273	2.3
211.14832	6.9
213.16455	5.1
215.14375	2.5
215.18053	2.7
219.13882	1.8
221.13298	4.6
223.14783	4.6
225.16385	2.3
227.12630	3.6
227.18100	2.4
229.19508	2.3
231.20973	2.4
235.14882	3.5
239.17921	3.7
241.19566	15.2
245.19057	2.6
251.17972	2.3
253.14349	5.0
255.15851	15.4
257.19055	5.3
259.20569	41.3
261.22150	2.0
267.15848	3.9
269.17410	19.2
275.20108	18.4
283.20566	3.2
285.22083	2.5
297.22018	2.7
315.23181	5.6
325.21857	2.8
333.24243	44.8
335.25964	4.1
337.38641	2.2
349.23871	14.4
351.25214	2.1
365.24142	2.0
367.25430	3.6
417.31461	2.4
421.31049	2.6
435.32556	6.5
439.31329	2.0
453.33649	2.9
471.34753	4.3
473.34109	2.0
501.35641	2.6
509.36145	6.2
513.35889	30.8
515.38086	7.3
527.37390	54.1
531.36591	3.8
533.39612	3.8
539.37390	2.6
543.36426	2.9
545.39063	8.6
551.40723	3.0
607.43652	32.7
625.44702	32.3
689.41736	2.7
733.46368	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	840.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02937	2.7
65.03938	7.2
67.05510	96.6
69.03438	11.9
69.06728	3.0
69.07075	40.8
71.04991	7.0
77.03938	1.8
79.05499	100.0
81.03416	9.3
81.07065	96.4
83.04984	10.3
83.08622	23.5
85.02909	7.6
85.06533	5.4
91.03960	2.9
91.05489	98.8
93.07052	96.2
95.04974	12.3
95.08616	67.6
97.02902	6.9
97.06546	14.1
97.10172	14.2
99.04412	1.8
99.08090	3.8
103.05481	4.8
105.04520	3.7
105.07041	98.8
107.04968	9.2
107.08606	62.4
107.38156	1.4
109.02911	2.0
109.06532	9.2
109.10170	30.5
109.69036	1.8
111.08073	7.4
113.09637	1.6
115.03951	1.4
115.05480	6.1
116.06295	1.5
117.07023	40.9
119.08595	76.2
121.06493	6.5
121.09325	2.6
121.10152	37.0
123.08089	4.1
123.11725	9.3
125.09648	12.6
127.03992	3.4
128.06224	7.1
129.07018	21.2
130.07834	3.3
131.08582	49.9
133.06525	3.0
133.10149	56.5
135.08043	7.6
135.11708	28.7
137.09569	4.0
141.07014	8.7
142.07791	4.3
143.08586	27.3
145.06509	1.6
145.10135	45.7
147.08025	4.0
147.11690	38.1
149.09622	11.5
149.13293	11.8
151.11183	4.6
153.07011	2.3
154.07805	1.7
155.08588	13.4
157.06505	1.5
157.10146	28.0
159.11691	30.8
161.09688	3.0
161.13268	20.5
163.11176	8.8
163.14870	2.8
165.12787	2.0
167.08580	6.3
168.09425	2.7
169.10117	18.6
171.10223	3.1
171.11685	22.5
173.11810	3.0
173.13245	17.9
175.11221	4.5
175.14871	8.4
177.12753	3.4
177.16457	1.8
179.14310	2.5
181.10098	8.1
182.11055	1.7
183.11694	15.5
184.07289	2.6
185.13260	17.0
187.14937	7.8
189.11201	4.4
189.12750	3.2
189.16379	2.4
191.14377	2.1
193.10190	3.5
195.11714	8.2
195.13635	2.9
197.13271	13.0
199.11249	1.7
199.13232	1.9
199.14828	9.4
201.16475	4.2
203.14297	1.8
207.11743	4.5
209.13220	4.8
211.11205	1.7
211.14841	7.3
213.16411	6.1
215.17987	2.3
217.15785	1.9
221.13298	3.4
223.14832	4.4
225.16423	5.3
227.12759	8.1
227.18082	3.4
229.14226	2.7
229.19455	3.6
231.21194	4.1
233.13251	1.8
235.14789	3.3
237.16408	5.9
239.17993	6.3
241.19489	15.9
247.20596	2.0
251.18073	2.3
255.15955	7.0
257.19003	8.4
259.20599	42.7
261.22150	2.0
267.15906	2.6
269.17349	12.9
273.18500	3.9
275.20132	29.7
276.20496	2.4
277.21564	3.9
281.18884	2.2
285.22150	2.1
293.21100	2.2
295.20618	2.7
297.22058	2.4
301.21637	2.7
311.23703	1.7
313.21667	2.2
315.23303	8.9
323.23468	1.9
333.24283	49.6
339.23218	2.5
347.22238	2.2
347.67731	1.7
349.23914	20.7
350.23886	2.2
351.25226	1.8
363.26654	2.7
365.23303	3.0
367.24814	5.3
403.24734	2.9
421.30899	5.1
435.32425	6.6
453.33466	5.0
495.35068	2.9
499.34250	2.1
513.35852	27.8
515.38147	5.9
517.39404	1.7
527.37292	33.8
531.36877	3.8
533.39783	3.7
537.35846	2.6
545.38147	6.6
551.40710	1.8
567.40430	2.4
597.45325	1.9
607.34106	2.5
607.43646	46.4
625.44604	49.2
652.26691	2.1
769.48553	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	840.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	5.3
65.03935	6.3
67.05508	99.1
69.03424	8.8
69.07072	35.2
71.04997	5.3
71.08643	1.4
73.02912	3.9
75.91283	0.9
77.03926	2.7
79.05497	89.5
80.30087	1.0
81.03413	11.3
81.07059	100.0
83.04982	12.0
83.08619	18.8
85.02913	8.3
85.06551	5.0
91.03931	2.7
91.05485	99.2
93.07048	91.4
93.26068	0.9
95.04971	12.8
95.08611	69.3
97.02911	8.1
97.06535	13.3
97.10159	8.0
99.04456	2.2
99.08097	6.8
103.05471	3.9
105.04493	2.7
105.07036	91.1
107.04973	5.9
107.08600	50.8
109.02905	1.9
109.06528	8.0
109.10162	28.4
111.04402	1.5
111.08099	7.2
111.11681	1.2
115.05473	7.4
116.06259	1.8
117.07021	41.9
117.07853	2.2
119.08588	69.4
121.06493	3.9
121.10146	35.7
123.08078	4.8
123.11693	6.6
125.09599	5.5
127.03920	4.3
128.06253	6.4
129.05472	4.5
129.07004	28.6
130.07790	3.8
131.03613	1.0
131.08574	57.0
133.06473	2.1
133.10138	51.9
135.08061	5.6
135.11707	21.2
137.09604	3.8
137.13203	2.3
139.11211	1.3
141.06996	10.1
141.09108	1.1
142.07777	4.3
143.08571	29.7
144.09317	2.5
145.04948	2.2
145.06502	1.9
145.10129	42.5
147.08057	2.8
147.10497	1.8
147.11693	35.1
148.12062	1.1
149.09599	8.6
149.13258	15.0
151.11176	2.9
153.06964	2.2
153.12683	1.4
154.07745	2.4
155.08549	15.3
156.09331	3.6
157.06549	1.5
157.10136	32.0
159.08031	1.8
159.11702	37.7
161.09659	2.7
161.13252	17.8
163.11189	5.2
163.14804	3.3
165.07033	2.1
165.12749	2.4
167.08554	6.7
168.09311	2.4
169.10124	17.8
171.08130	2.0
171.10246	1.9
171.11691	26.3
173.09573	1.4
173.11803	2.6
173.13249	21.2
175.11163	3.6
175.14809	7.8
177.12770	2.4
178.07803	1.2
179.08568	3.2
179.10699	1.4
179.14294	2.0
180.09213	1.0
181.10133	9.0
181.12234	1.1
182.10835	2.0
183.08260	1.5
183.10135	0.8
183.11694	18.5
185.09587	1.1
185.11642	1.3
185.13248	19.9
187.11171	2.9
187.13412	1.1
187.14839	7.7
189.11189	2.2
189.12834	2.0
189.16347	3.6
191.14276	1.4
193.02469	0.9
193.10101	5.3
194.10944	1.2
195.11713	9.5
195.13675	2.5
197.13275	14.6
199.11209	1.4
199.13243	2.4
199.14845	10.8
201.12756	1.7
201.16377	3.2
203.14311	1.6
205.10243	1.3
205.12015	1.2
205.71368	1.1
207.11711	3.3
209.13284	8.7
211.14790	8.6
213.12837	2.5
213.14612	1.4
213.16423	6.2
215.14418	1.8
215.17920	3.0
217.15863	1.1
219.11754	1.3
221.13263	2.9
223.14818	7.0
223.16681	1.2
225.16400	4.7
227.12625	1.4
227.18073	2.2
228.29735	1.0
229.14359	4.4
229.19466	2.4
230.69070	1.0
231.20998	2.5
233.15381	1.2
235.14783	2.1
237.16321	4.7
239.17992	5.3
241.19562	10.2
243.21059	1.6
247.20538	1.2
249.16536	1.6
251.18022	2.3
253.19688	1.7
257.19073	6.2
259.20575	25.9
261.22220	1.4
263.17889	1.2
265.19568	2.4
267.15869	2.4
269.17371	7.3
271.20584	3.0
273.18439	2.6
275.20074	7.3
277.21619	3.2
283.20554	2.7
285.22110	1.4
286.39941	1.0
289.21860	1.1
295.20709	1.7
297.22263	2.8
299.20209	1.4
299.23492	1.2
301.21811	1.8
309.22083	2.3
311.23639	2.7
313.21622	2.1
313.25052	1.1
315.23169	4.5
323.23712	1.8
325.21652	1.8
327.23172	1.7
331.22610	2.2
333.24295	20.5
335.25821	4.5
337.25134	2.3
341.24698	1.4
349.23953	5.3
351.26678	1.2
353.24634	1.3
355.26617	1.3
361.25174	1.1
365.28680	1.3
387.16571	1.0
403.29373	1.6
407.33182	1.4
409.31039	2.3
417.31003	1.7
435.32654	6.0
447.31857	1.4
453.33517	3.4
461.33536	1.1
471.34982	1.4
489.35645	1.3
497.36246	1.7
499.39447	1.2
501.35672	3.0
513.35590	4.0
515.38098	1.7
517.40289	6.6
525.35822	2.4
527.37280	18.1
533.39825	1.9
535.41583	2.4
539.37274	2.0
545.38184	2.3
567.40411	1.6
591.44153	4.6
607.43524	8.0
609.45129	45.2
625.44476	7.8
635.39417	1.1
729.66754	1.2
735.47620	1.1
782.53656	1.2
794.70459	1.0
836.79291	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	8.5
61.02930	41.3
66.85995	2.2
67.05513	100.0
67.25560	2.8
68.05830	4.4
69.03428	8.7
69.07088	20.6
71.04984	6.2
71.53864	2.8
73.02910	16.2
79.05497	47.4
79.08591	2.3
81.03424	18.8
81.07063	98.2
82.03786	2.5
83.04985	5.7
83.08621	14.6
85.02905	60.1
85.06577	3.3
87.04478	7.4
91.03965	43.1
91.05482	28.3
93.07056	63.2
95.04979	10.8
95.08620	70.9
97.02898	22.7
97.06526	7.4
97.10173	7.9
99.04445	3.2
103.03952	3.1
105.07053	25.6
107.08604	43.4
109.02889	3.5
109.06542	4.8
109.10167	57.5
110.10486	4.6
111.08109	6.3
113.09621	3.4
117.07030	13.7
119.08583	24.9
121.10158	36.7
123.11713	16.1
125.09631	5.3
127.03947	19.0
131.08569	19.9
133.10162	17.6
135.11714	31.8
137.09653	6.5
137.13283	7.9
145.04991	23.7
145.10162	16.5
147.11708	13.6
149.02350	2.7
149.13301	20.7
151.11212	3.3
159.11711	14.5
161.13231	14.2
163.06032	45.9
163.11078	3.6
163.14847	13.8
165.12730	3.4
173.11897	5.1
173.13289	13.5
175.14914	3.6
177.12761	2.6
177.16440	8.0
187.14865	8.3
191.14360	2.7
193.12231	3.4
201.16219	2.8
205.15607	3.0
220.39584	3.3
227.12944	4.6
229.14418	12.3
230.14734	3.5
243.21114	35.8
261.22162	91.1
263.23569	2.8
267.15979	12.7
268.16284	8.0
273.18497	3.4
275.20114	3.2
279.23273	3.7
313.99329	3.1
335.25793	34.8
349.23737	3.3
353.26868	62.3
422.26279	3.1
442.26385	2.9
479.29898	3.5
497.31064	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	838.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	5.5
67.05182	3.3
67.05508	52.4
69.07060	10.3
69.23746	11.0
69.24161	5.4
71.04984	3.5
79.05493	40.5
81.03412	2.2
81.07059	39.9
83.04977	3.5
83.08614	6.6
85.06543	11.9
91.05483	42.6
93.07049	39.8
95.04980	42.1
95.08607	25.0
97.06509	6.6
97.10170	4.1
105.04512	1.8
105.07037	30.5
107.04961	9.3
107.08598	26.6
109.06526	52.4
109.10184	9.9
111.08084	2.9
113.06011	31.6
114.41534	2.1
115.05479	2.2
117.07027	19.0
119.08591	30.4
119.54009	1.9
121.06499	6.6
121.10160	13.0
123.08078	5.3
125.09595	2.4
128.06206	4.6
129.07016	9.8
130.07787	2.2
131.08571	29.9
133.06506	3.1
133.10139	20.4
135.07111	3.5
135.08064	43.5
135.11708	9.6
141.07005	2.3
142.07700	1.8
143.08534	12.0
145.10109	20.0
147.04405	2.4
147.08025	6.4
147.11699	13.1
149.09596	6.7
149.13235	4.1
155.08537	2.9
157.10130	11.6
159.11694	12.9
161.09669	9.2
161.13242	6.0
163.11172	4.3
169.10170	4.2
171.11682	8.2
173.09596	2.2
173.13243	8.0
175.11230	2.2
175.14777	4.5
183.11720	4.6
184.07333	4.0
185.13254	6.1
187.11151	2.7
187.14828	3.4
189.12773	3.2
195.11719	3.5
199.14833	4.7
217.15927	10.8
225.10860	2.0
239.18173	2.1
241.19492	8.6
257.19086	3.4
259.20569	16.9
273.18549	18.3
275.20117	5.8
277.21713	2.4
279.15918	5.1
288.90994	2.0
291.19553	75.3
308.18646	2.3
315.23315	4.9
331.22678	2.2
333.24243	40.1
347.22086	5.7
349.23959	2.7
365.23242	23.1
381.46939	1.9
513.36249	2.9
527.37341	2.5
531.38214	2.9
548.97717	2.3
549.39264	2.6
565.38177	2.4
605.42169	14.5
623.43103	100.0
624.43225	5.6
635.80511	2.0
641.43750	4.7
838.53882	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	838.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44032	0.9
65.03934	3.6
67.05509	52.2
69.03439	5.1
69.07072	35.9
69.45586	7.2
71.04993	3.7
77.03939	1.4
79.05499	50.6
81.03422	11.3
81.07063	66.2
83.04985	11.6
83.08624	13.8
84.47741	0.8
85.02921	2.2
85.06543	4.0
87.04476	5.3
89.58519	0.9
91.05486	63.6
93.07050	53.9
95.01324	5.1
95.04973	11.4
95.08614	31.9
97.02895	4.0
97.06537	24.8
97.10181	9.9
99.08047	2.1
103.05491	2.3
105.04556	2.9
105.07037	75.0
107.04974	15.5
107.08599	30.7
107.09226	0.5
109.02876	1.6
109.06524	6.5
109.10158	15.0
111.04475	1.7
111.08102	3.3
113.09650	1.4
115.05456	2.7
116.18580	1.1
117.07025	20.0
119.05037	1.0
119.06020	1.2
119.08589	46.7
121.06508	5.5
121.10141	16.8
123.04469	1.7
123.08077	6.0
123.11718	3.9
125.09619	8.5
127.03920	1.6
128.06197	2.2
129.06995	8.7
130.07802	2.2
131.08580	26.7
133.06485	3.1
133.10136	44.5
135.08058	4.4
135.11702	14.7
137.09641	3.7
139.07545	1.2
141.07019	2.7
143.08559	7.3
145.06503	2.4
145.10133	23.6
147.08018	4.2
147.11700	21.7
149.09644	9.8
149.13251	9.2
151.11185	4.9
153.12831	1.1
155.08597	2.7
157.10146	7.0
159.08060	1.1
159.11699	16.2
161.09668	2.3
161.13261	10.0
163.11154	7.3
165.09149	2.3
165.12808	1.8
167.08633	1.2
169.10187	5.1
169.12201	1.1
171.10339	1.5
171.11668	7.5
173.13284	7.3
175.11218	2.9
175.14818	2.6
177.12747	3.6
179.14314	10.5
181.10095	1.5
181.12282	1.8
183.11697	4.3
185.09740	1.1
185.13274	3.7
187.11211	3.5
187.14786	2.3
189.11256	3.4
191.14432	1.1
195.11832	2.0
195.13831	3.1
197.13316	2.1
199.14769	2.0
201.12709	1.8
203.14391	1.2
205.12140	1.2
211.14998	1.2
213.16510	1.4
215.18051	1.8
219.17421	1.8
223.13280	5.5
227.12840	4.0
227.17909	1.2
229.19566	3.0
231.21069	1.2
233.18886	1.0
235.16934	1.2
239.17938	2.7
241.19514	6.4
247.20604	2.7
249.14948	1.4
251.16344	1.5
253.14375	3.2
255.15967	3.5
257.19073	7.7
259.20575	15.0
269.17462	18.1
273.18475	4.3
275.20081	63.0
276.20517	1.2
279.15991	1.9
291.19553	42.0
292.19769	1.2
293.21039	4.8
313.21588	1.8
315.23154	2.2
326.86136	1.4
331.22839	1.3
333.24249	14.1
349.23770	39.0
365.23239	16.7
367.24786	3.2
379.30136	1.3
413.21848	2.3
503.33496	2.4
511.34143	1.4
513.36932	1.2
519.33484	1.3
525.35748	5.2
529.35315	21.7
531.37714	1.0
543.36853	100.0
544.37189	4.3
549.39807	1.4
605.41943	4.3
623.43048	46.4
624.43024	1.4
641.44061	11.5
687.40485	2.7
785.47821	1.6
810.28607	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03952	3.9
67.05510	59.8
68.99792	1.0
69.03430	4.7
69.07072	40.1
69.18079	8.0
69.94759	0.7
71.04989	3.5
71.08630	1.7
77.03904	1.6
79.05498	52.2
79.13725	0.7
81.03422	12.0
81.07062	71.5
83.04986	11.3
83.08620	13.0
85.02906	2.5
85.06524	3.8
87.04475	2.2
91.05487	75.2
92.05795	1.3
93.07051	57.1
95.01339	11.4
95.04976	13.3
95.08611	43.5
95.09240	0.9
97.02885	1.8
97.06537	30.7
97.10178	5.0
98.20758	1.3
99.08098	2.9
101.97828	0.8
103.05492	2.7
104.06281	1.4
105.04522	1.8
105.07038	100.0
107.04295	1.5
107.04969	19.2
107.07876	1.6
107.08601	28.2
109.02888	1.4
109.06522	5.3
109.10155	11.2
111.04487	1.0
111.08100	4.3
113.09635	1.3
115.05462	3.1
116.06211	0.8
117.07024	23.4
119.04960	1.2
119.08588	55.5
121.06501	4.5
121.10152	15.6
123.04443	2.1
123.08099	5.8
123.11718	2.8
125.05991	0.9
125.09636	3.5
127.03939	1.5
128.06241	2.4
129.05528	1.5
129.07011	7.4
130.07793	0.9
131.04848	0.8
131.07591	1.8
131.08574	34.0
133.06529	2.2
133.10138	57.8
135.08038	5.5
135.11702	13.6
137.09657	3.0
139.07555	1.8
141.06992	2.9
142.07840	1.1
143.08559	7.5
144.29787	0.7
145.04984	0.7
145.06503	2.4
145.10130	27.5
147.08073	2.1
147.10519	1.2
147.11699	25.8
149.09621	11.6
149.13289	9.3
151.07549	1.4
151.11177	2.6
153.12862	0.9
154.07852	0.9
155.08595	3.1
157.10152	7.7
159.08109	1.3
159.11702	20.0
161.09654	1.7
161.13254	13.8
163.11191	7.3
163.14857	1.5
165.09125	2.1
165.12733	0.9
169.10120	4.3
170.81117	0.8
171.08112	0.8
171.10274	1.3
171.11650	6.1
172.81732	0.7
173.09622	1.3
173.13251	7.3
175.11183	1.4
175.14799	3.9
177.12738	6.7
179.10692	1.0
179.14336	14.2
183.11745	3.8
185.13322	4.3
187.11192	3.8
187.14857	2.3
189.11206	0.9
189.12770	1.1
195.12024	0.9
195.13739	4.0
197.13278	2.5
199.14906	1.8
201.12772	1.3
205.12285	0.9
207.13783	0.9
213.16443	1.0
215.14330	1.0
215.18030	1.3
219.13963	1.1
219.17484	3.8
227.12856	1.5
229.19563	2.7
231.21114	1.3
233.15471	1.0
239.17966	2.7
241.19585	7.0
247.20596	3.1
251.16425	1.4
257.18991	11.4
257.21506	1.0
259.20596	9.4
269.17502	14.8
275.20084	95.2
276.20523	1.2
277.21729	1.1
279.15976	2.2
279.21222	0.8
289.18100	0.9
291.19669	2.1
293.21143	6.3
315.23282	4.6
331.22708	3.3
333.24252	19.7
335.26007	1.8
349.23752	50.1
350.23828	0.9
351.25430	0.9
365.23447	1.3
397.24527	0.8
413.21902	1.0
437.34482	0.9
513.35583	1.1
515.38348	1.3
527.37451	1.5
543.36841	42.7
544.37152	1.8
555.36389	0.9
583.39880	0.9
607.43610	43.7
608.43939	1.1
623.43060	9.0
625.44830	6.1
641.44147	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	838.531
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	5.5
67.05508	87.3
69.03428	5.9
69.07072	28.0
71.04990	6.7
77.03889	1.7
79.05497	71.3
81.03419	6.7
81.07061	86.6
83.04987	14.5
83.08613	11.7
85.02910	3.1
85.06545	6.2
87.04476	2.1
91.05485	99.9
93.00092	1.4
93.07051	65.4
95.04976	16.5
95.08616	40.2
97.06530	9.1
97.10157	3.6
98.20577	2.5
99.08076	3.6
103.05461	3.2
105.04546	2.1
105.07035	100.0
107.04955	9.0
107.08599	56.8
107.09162	1.0
109.06519	11.7
109.10160	55.2
111.08076	7.3
115.05460	3.6
115.39293	1.6
117.07012	25.1
119.04952	1.4
119.08585	61.8
121.06512	6.4
121.10147	22.3
123.08080	5.0
123.11707	10.7
124.54839	1.6
125.09644	5.6
127.07560	3.0
128.06253	4.3
129.07011	14.0
131.07597	2.3
131.08574	36.8
133.06497	6.3
133.10138	89.9
135.08076	7.3
135.11697	17.1
137.09648	4.5
141.07008	2.8
142.07799	3.2
143.08553	16.5
145.06509	1.9
145.10132	26.6
147.08066	4.1
147.11694	31.8
149.09631	9.9
149.13240	7.4
151.11200	31.6
155.08557	6.4
157.10124	13.7
159.08098	2.3
159.11693	23.9
161.09671	8.2
161.13271	23.2
163.11176	3.9
163.14825	2.0
167.08528	2.0
169.10063	4.7
169.12299	5.6
171.08057	1.6
171.11690	16.3
173.09662	3.0
173.13290	11.5
175.11180	4.6
175.14827	8.5
177.09155	1.6
177.12753	2.8
181.10109	3.0
183.10181	1.8
183.11742	6.5
185.13255	10.7
187.14841	5.3
189.12694	3.4
195.11755	2.8
197.13344	2.2
199.14827	6.5
201.16412	2.0
203.14386	2.0
211.14847	2.4
213.16396	3.2
215.12758	3.2
223.14825	2.0
223.17084	1.8
227.17918	3.1
231.21159	5.1
237.16393	1.9
239.18060	2.7
241.19502	21.9
245.19139	3.0
253.14355	81.6
257.19131	4.2
259.20596	57.0
263.20160	4.3
271.15375	2.5
273.18552	18.9
275.19919	3.3
277.21747	1.8
289.18179	3.8
291.19559	16.8
297.22345	2.3
313.21719	2.3
315.23297	8.6
333.24240	54.5
335.25897	3.7
347.22321	5.2
347.98587	1.6
353.28284	3.8
363.21945	4.0
365.23248	34.7
409.31216	2.5
419.29401	3.9
437.30502	5.2
455.31665	3.3
487.34198	2.5
501.35727	3.7
503.38834	2.2
511.34323	19.1
513.36743	2.3
529.35278	29.1
531.38324	5.9
549.38983	6.0
595.43506	1.6
597.97314	1.9
598.50824	1.5
605.41888	11.8
623.43042	61.5
624.42383	1.6
641.44196	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	838.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04986	1.2
65.03936	3.4
67.05508	52.8
69.03431	8.6
69.07071	30.5
70.57800	0.9
71.04994	2.9
71.08616	0.9
77.03909	1.3
79.05495	47.0
81.03429	5.7
81.07059	48.1
83.04975	5.9
83.08624	14.8
85.02912	1.2
85.06535	1.6
87.04464	1.9
91.05486	51.4
91.93433	1.1
93.07045	44.9
95.04968	10.4
95.08607	27.6
95.09171	0.6
97.02899	8.8
97.06531	5.5
97.10178	18.8
98.20738	2.7
99.08118	1.4
103.05459	1.8
105.04523	1.1
105.07035	48.9
107.04965	7.2
107.07870	1.6
107.08601	31.3
109.02852	1.1
109.06525	4.7
109.10162	15.6
110.68929	1.1
111.08071	3.1
115.05452	2.2
116.06227	1.6
117.07014	21.3
119.04922	2.1
119.08587	39.4
121.06512	5.4
121.10157	14.9
123.04435	1.4
123.08054	3.7
123.11707	3.9
125.09654	12.7
128.06184	2.4
129.05502	1.7
129.07018	11.5
130.07794	2.2
131.08580	24.5
133.06477	3.4
133.09131	1.5
133.10138	28.5
134.10428	1.0
135.08064	6.6
135.11685	11.2
135.23889	1.2
137.09630	3.0
141.06987	3.1
141.50710	1.0
142.07785	1.6
142.83472	1.0
143.08566	11.0
144.09331	1.1
145.10127	21.3
147.08049	4.0
147.11691	23.1
149.09654	4.7
149.13280	6.3
151.11150	1.2
153.09119	1.6
155.08537	5.5
156.09377	1.4
157.10136	11.5
159.08168	1.9
159.11702	14.8
161.09613	2.4
161.13275	14.7
163.11177	3.0
163.14845	1.7
165.09131	1.5
167.08575	2.6
169.10095	4.6
171.08044	1.2
171.10243	1.9
171.11685	11.7
173.13258	8.4
175.11194	3.1
175.14833	8.3
177.12772	2.7
179.08530	1.3
181.10112	2.7
183.11703	5.5
185.13286	8.4
187.14828	2.8
189.11241	7.7
189.12712	1.6
191.10712	1.1
195.11679	2.9
195.13786	1.5
197.13271	3.8
199.14810	5.8
201.16409	2.5
205.12199	1.9
209.13281	1.8
211.14865	1.6
213.12839	1.0
213.16397	2.1
215.17908	1.8
221.13351	1.8
223.13261	21.9
227.12752	10.2
227.17859	2.6
231.21063	3.5
239.17992	4.0
241.19508	17.6
245.18893	1.6
249.14821	2.4
257.19046	3.5
259.20590	38.5
273.18500	10.3
275.20041	7.1
291.19556	100.0
299.23730	2.2
315.23209	5.8
333.24271	42.8
347.22131	1.4
349.23746	4.6
363.26788	1.3
365.23239	37.4
365.27896	1.8
379.29880	4.1
405.26703	1.1
433.31052	2.1
451.31845	1.3
511.34045	1.5
513.37439	2.1
525.35681	9.2
529.34985	2.1
531.38147	2.1
543.36853	15.9
549.39233	1.7
554.35968	1.1
605.41925	7.7
623.43036	53.4
624.42682	2.0
641.44073	6.9
785.47485	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	838.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	4.2
61.02925	2.1
65.03934	2.8
67.05508	92.4
69.03423	4.8
69.06718	1.7
69.07067	19.3
70.67696	2.8
71.01363	2.4
71.05010	6.5
73.02930	1.6
77.67136	1.1
79.05498	37.9
79.05965	2.0
81.03422	100.0
81.07063	38.9
83.01340	1.6
83.04984	14.3
83.08624	26.5
85.02913	11.8
85.06536	3.4
87.04447	3.3
91.03967	1.1
91.05488	36.1
92.05820	1.3
93.07041	25.8
95.04974	36.3
95.08612	18.0
95.92325	1.2
97.02910	6.5
97.06538	6.7
97.10172	20.2
99.04444	1.8
99.08094	2.5
103.42181	1.0
105.07030	23.2
107.04291	1.5
107.04958	16.9
107.08606	19.7
109.02860	1.5
109.06528	11.3
109.10159	69.0
111.04469	5.7
111.08080	13.2
115.05474	2.8
117.07043	8.4
117.81953	1.1
119.04881	1.5
119.08592	26.3
121.02852	1.9
121.06527	9.5
121.10132	15.4
123.04440	3.2
123.08073	5.0
123.11725	1.6
125.06003	1.2
125.09632	15.7
129.05479	3.7
129.06999	14.6
131.04945	2.3
131.08568	14.5
133.06490	6.1
133.10127	8.5
135.04478	1.4
135.08037	4.3
135.11720	8.7
137.06004	1.8
137.09633	5.7
139.11174	2.0
141.06908	1.2
142.07791	3.2
143.08553	3.3
143.10684	1.8
145.06479	3.3
145.10143	9.4
147.04422	5.9
147.08047	7.2
147.11670	10.5
149.06003	1.9
149.09648	8.6
150.03113	1.2
151.11176	1.4
153.09085	2.6
153.12733	7.2
155.08524	1.3
155.10638	6.0
157.10104	13.2
159.08040	2.5
159.11646	2.2
161.09633	5.7
163.11200	13.1
165.12733	3.7
169.10132	1.6
171.08031	1.9
171.10139	1.8
173.09581	3.5
173.11745	15.4
173.13187	2.6
175.11186	13.3
177.12733	1.4
181.10828	1.0
181.12173	6.5
184.07352	1.7
187.11157	2.0
189.11227	6.3
189.12758	1.8
191.10681	3.8
191.14317	2.2
193.12253	38.3
199.11212	1.6
199.13307	4.1
203.14363	2.2
205.12230	2.9
209.11720	9.8
211.11258	1.8
211.13239	11.1
213.12752	2.6
215.10751	1.5
215.14355	1.5
217.12363	2.3
217.14394	2.8
219.13841	6.6
221.11655	1.5
223.11275	1.4
223.13196	1.7
227.12779	19.7
229.14355	48.3
231.13797	3.5
232.14513	1.2
233.15401	1.6
235.13298	2.9
247.13275	2.7
249.14824	5.4
259.13159	5.7
265.14505	1.1
267.15930	99.1
268.16318	2.0
273.15115	1.7
273.18457	4.5
275.12726	1.7
277.14523	1.5
283.15359	12.7
287.16483	1.3
289.17990	2.6
292.19870	1.2
293.17419	1.6
301.16589	9.0
305.17532	1.1
317.21030	1.3
333.16718	2.2
347.22305	2.4
351.18085	1.5
355.22626	2.7
363.21494	2.1
365.20972	2.0
367.22626	5.7
373.23730	3.8
383.22296	7.8
385.23685	4.2
399.23822	14.9
401.23059	8.3
403.24713	3.6
409.26120	2.4
419.24100	2.4
421.25925	23.7
457.25809	3.0
458.26691	13.7
459.27454	7.9
475.27045	20.0
476.21494	1.6
476.27734	17.8
477.28442	3.4
479.78693	1.2
493.28030	15.7
511.28928	4.2
514.35999	1.1
518.32489	5.1
573.34216	1.9
574.07098	1.2
591.35272	9.1
687.36890	1.7
717.38232	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04989	1.3
65.03942	2.2
67.05511	30.6
69.03441	5.4
69.07075	28.9
70.13770	1.4
70.14188	2.4
77.03902	0.9
79.05499	23.6
81.03418	7.2
81.06591	1.9
81.07063	34.2
83.04981	3.9
83.08624	7.9
85.02867	0.9
85.06538	2.0
91.05489	33.7
93.06496	1.4
93.07050	23.9
95.01340	6.7
95.04979	8.2
95.08613	21.5
97.02895	6.6
97.06536	23.7
97.10181	9.1
98.21480	0.9
103.05420	1.0
105.07037	47.2
107.04960	12.3
107.08596	12.0
109.06509	2.7
109.10173	6.9
111.08128	1.2
117.07021	11.2
119.04922	1.1
119.08581	25.8
121.06503	3.7
121.10145	5.5
123.04414	1.4
123.08063	2.9
123.11666	1.6
125.08907	0.7
125.09644	5.6
127.12086	0.9
128.06226	0.9
129.06996	3.5
131.08589	16.2
133.06488	2.7
133.10135	20.2
135.08070	3.9
135.11681	5.1
136.83308	0.8
137.09573	1.9
139.07521	1.7
141.07042	1.4
143.08511	2.6
145.06407	1.4
145.10133	11.4
147.08029	3.3
147.11679	9.7
149.09636	4.9
149.13240	2.3
151.11188	1.6
157.10107	3.2
159.08038	1.0
159.11732	6.6
161.09636	2.0
161.13243	3.4
163.11212	3.1
165.09126	2.5
169.10146	2.1
171.11684	2.2
173.09683	1.1
173.13199	2.0
175.11230	1.6
177.12772	2.7
179.14323	6.6
183.11739	1.7
185.13228	1.4
187.11150	1.6
187.14833	1.0
189.11201	2.4
189.12708	1.0
197.13222	1.9
205.12277	2.0
222.47058	0.8
223.13293	9.7
227.12805	3.5
229.19640	1.0
239.17889	1.2
240.43849	0.8
243.94791	0.7
245.18817	0.9
247.20554	1.2
249.14886	1.3
257.18924	2.9
267.15906	1.4
269.79395	1.0
273.18561	7.8
275.20081	48.3
279.15897	1.0
291.19571	41.4
293.21054	2.9
347.22116	2.2
349.23752	23.6
349.26981	0.5
349.28085	0.9
350.23807	1.0
365.23242	34.2
541.34991	3.1
543.36981	1.4
621.41345	3.3
639.42590	100.0
640.42523	3.3
657.43530	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
62.24592	0.9
65.03929	3.3
67.05508	49.7
68.05855	1.2
68.99788	1.3
69.03423	4.4
69.07072	30.0
70.50997	0.9
71.01344	1.2
71.17772	2.3
77.03902	1.3
79.05495	37.7
81.03419	10.2
81.07058	66.9
82.07383	1.3
83.04990	11.3
83.08628	7.6
85.02911	1.8
85.06532	4.1
87.04446	1.0
91.05483	69.7
93.07046	42.3
95.01329	7.8
95.04976	13.5
95.08606	33.0
97.05910	2.0
97.06534	29.4
97.10168	2.8
98.17278	1.0
99.04446	1.4
101.81422	1.0
103.05535	1.8
103.41880	0.9
105.07035	83.1
107.04292	1.6
107.04961	17.5
107.08603	30.1
109.06529	6.2
109.10162	30.6
111.04426	2.2
111.08072	3.6
113.05990	1.2
113.09633	1.4
115.05393	1.2
117.07014	14.2
119.08581	39.3
121.06504	8.5
121.10155	10.6
123.04449	1.5
123.08088	4.6
123.11719	5.1
125.09618	1.8
127.07576	1.6
128.06186	2.2
129.06995	4.5
130.07828	1.0
131.08577	24.3
133.06476	4.7
133.10138	70.3
135.08029	6.0
135.11713	7.8
137.09596	4.2
139.07555	1.6
141.06989	3.1
143.08554	5.6
145.06459	1.5
145.10124	16.8
147.08061	3.3
147.11699	13.2
149.09631	9.9
149.13283	3.0
151.11192	14.3
155.08583	1.5
157.10115	4.8
157.52090	1.0
159.08058	2.5
159.11690	10.3
161.09572	5.5
161.13280	6.1
163.11188	4.3
165.09045	1.8
169.10141	1.2
171.11685	4.3
173.09668	1.4
173.13277	3.5
175.11131	2.2
177.09106	2.0
177.12685	4.0
179.14299	12.9
183.11691	2.6
185.13303	1.9
187.11195	3.0
189.12738	1.8
195.11685	1.2
197.13300	1.8
211.14661	1.2
215.12820	1.6
227.17841	1.4
229.19463	1.3
239.17911	1.8
245.19041	2.8
247.20508	2.4
251.12839	4.8
253.14369	63.5
255.17268	1.8
257.18991	4.9
258.08908	1.9
263.19998	1.8
273.18533	19.4
275.20074	74.2
276.20380	1.3
279.15704	1.2
291.19556	18.1
293.21136	5.0
313.27432	1.1
329.21191	1.7
347.22205	11.6
349.23734	38.0
350.24121	1.4
365.23239	34.2
414.06992	1.1
472.78448	1.0
527.33667	3.5
543.33215	3.3
545.34778	11.5
546.35315	1.3
559.36023	1.3
621.41614	17.6
639.42566	100.0
640.42773	2.2
657.43573	1.5
836.46069	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	835.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	3.4
65.03944	6.5
67.05508	100.0
69.03434	17.2
69.07072	34.6
71.01356	7.4
71.04993	7.1
71.08631	3.3
73.02927	4.3
79.05500	64.8
79.05945	2.6
81.03419	35.2
81.07061	85.8
83.05000	23.9
83.08619	15.9
85.02905	11.5
85.06541	7.7
91.05489	74.8
93.07046	65.0
95.04974	53.9
95.08619	44.4
97.02912	21.6
97.06525	23.6
97.10173	14.1
99.04485	6.9
105.07033	54.9
107.04956	40.5
107.08584	44.3
109.02890	7.0
109.06535	21.1
109.10146	27.1
111.04441	9.8
111.08061	6.6
113.06060	5.4
115.05441	7.0
117.07028	31.9
119.04974	5.6
119.08585	34.0
121.06571	17.4
121.10138	19.6
122.07300	7.4
123.04448	6.7
123.08076	14.6
123.11745	5.0
125.09631	12.4
127.03960	7.3
128.06192	4.8
129.05507	4.4
129.07004	12.6
130.07785	3.9
131.08583	29.8
133.06499	19.5
133.10150	27.1
135.08070	18.1
135.11710	16.2
137.06035	4.8
137.09665	8.1
141.06953	5.0
143.08557	17.2
145.06516	9.2
145.10129	24.3
147.08046	15.9
147.11700	14.0
149.09612	17.1
149.13269	11.6
155.08640	3.3
157.10153	6.9
159.08034	6.2
159.11685	22.3
161.09637	16.5
161.13263	5.7
163.11189	10.7
165.09145	5.9
169.10117	7.3
171.11713	9.0
173.04451	9.4
173.09616	6.2
173.11714	4.1
173.13228	7.4
175.11201	8.0
177.12718	9.2
179.14250	3.2
181.17464	3.0
183.11620	3.1
185.13292	5.8
187.11243	6.3
187.14795	5.7
197.13319	3.8
201.12886	3.4
203.14351	4.0
223.13228	6.0
227.12801	11.1
229.14325	10.4
230.45082	3.5
231.13797	4.4
233.15414	10.8
249.14848	7.7
255.04370	3.1
257.19037	6.3
261.14859	4.4
267.15820	5.3
269.17551	9.8
273.18521	25.8
274.18793	3.2
275.20126	30.5
279.15909	8.1
288.90460	3.8
289.17993	9.4
290.18796	8.5
291.19513	34.6
293.20999	5.2
303.19147	4.0
314.27740	3.9
323.18637	5.9
329.21628	3.9
331.22647	4.6
335.18408	3.9
347.22220	10.2
349.23730	23.2
363.21613	5.3
365.23309	9.3
381.22632	15.4
413.21881	5.0
503.33414	5.2
511.29031	3.9
517.31458	5.9
519.33466	7.7
551.34064	4.0
557.34613	6.0
575.35559	16.7
609.39520	3.6
637.40515	8.6
638.41608	3.8
639.43066	5.9
655.42303	17.8
719.39740	11.2
835.48407	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	829.507
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	3.6
67.05511	4.2
69.03430	2.5
69.07071	1.7
69.15539	0.5
69.15939	2.3
71.01364	0.3
71.05023	0.3
73.02921	3.4
75.31419	0.3
79.05495	4.5
81.03433	2.0
81.07065	3.5
82.22436	0.3
83.08630	1.1
85.02918	4.1
89.06055	0.4
91.03967	2.5
91.05485	4.9
93.07055	5.4
95.04986	0.9
95.08608	2.9
97.02892	4.1
97.10123	0.3
99.04465	0.8
101.02397	1.1
105.07037	4.0
107.08600	2.9
109.02914	0.9
109.10200	1.0
115.03918	0.3
117.07037	1.2
119.08577	3.5
121.10146	2.0
123.11785	0.4
127.03962	1.1
129.05487	0.6
129.07005	0.5
131.08607	1.6
133.10132	2.6
135.11729	1.1
143.08589	0.6
145.10185	1.2
147.11681	1.5
149.13307	0.7
157.10202	0.5
159.11757	0.9
161.13345	0.9
171.11676	0.7
173.13329	0.6
175.14822	0.4
185.04265	1.6
201.03804	0.3
203.05412	0.3
227.20280	0.3
241.06822	0.4
243.08383	3.8
259.20630	1.4
299.19806	0.4
301.08936	2.2
301.14441	0.3
313.09119	0.5
313.27484	0.4
315.10599	1.0
317.20984	1.5
327.10809	0.4
371.16718	0.4
373.23569	0.6
383.16931	0.5
385.18625	0.9
387.11914	0.3
397.18430	0.8
429.17273	0.6
465.20941	1.9
495.22101	0.7
525.23279	1.9
535.28827	14.7
536.29309	0.4
607.30878	2.5
621.31445	0.3
649.36121	0.5
677.39209	0.3
691.40546	0.5
717.41724	0.4
759.42340	0.5
829.50732	100.0
830.50995	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	833.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	2.6
67.05515	19.0
69.03436	3.5
69.07059	5.0
69.54794	6.9
71.04994	2.4
73.02954	1.3
78.64458	1.2
79.05502	18.0
81.02971	1.6
81.03420	13.0
81.07071	15.8
81.56567	1.1
83.04980	3.8
83.08625	11.2
85.02905	4.6
91.03971	1.8
91.05483	11.2
91.79884	1.2
93.07057	13.8
95.04982	12.4
95.08608	9.5
97.02926	2.3
97.06535	4.1
97.10188	19.2
98.21481	2.4
98.36526	1.3
105.07050	7.0
107.04967	14.1
107.08603	12.7
109.02884	1.9
109.06532	7.1
109.10149	6.3
111.04477	1.5
111.08121	1.8
117.07038	4.7
119.04983	1.8
119.08614	6.2
121.06518	11.1
121.10155	5.1
123.04475	2.0
123.08083	4.0
125.06068	1.6
125.09647	19.1
128.70860	1.2
129.07018	4.6
131.04935	3.0
131.08571	6.6
133.06541	3.6
133.10146	2.9
135.08084	5.3
135.11720	2.5
137.06013	1.9
137.09682	1.6
143.08537	3.1
145.04916	1.6
145.06525	7.8
145.10168	5.3
147.04472	1.4
147.08060	5.1
147.11700	4.8
149.09616	2.9
153.09117	3.8
153.12769	1.5
155.08568	3.0
157.06526	3.3
157.10162	2.6
159.08118	2.2
159.11688	3.8
161.06018	1.6
161.09644	1.9
163.11214	3.5
169.10098	2.4
171.08037	1.9
171.11668	2.0
173.09669	2.2
173.13278	2.9
175.11188	3.4
181.10254	1.2
187.11153	1.8
187.14815	2.1
189.11249	8.2
189.12799	2.3
193.12221	6.0
195.11842	1.3
197.13330	1.6
199.11232	1.4
201.12823	1.7
209.58769	1.2
215.14424	2.9
217.12410	2.2
219.13739	2.6
227.12750	2.3
233.15370	6.8
237.12744	1.9
255.13802	3.0
259.13208	1.9
267.15866	8.0
273.14944	7.5
293.17877	1.9
339.23282	2.3
349.21692	4.6
357.24258	2.6
367.22736	15.5
385.23816	28.1
403.24768	10.1
441.26297	8.8
459.27454	100.0
460.27856	2.9
477.28525	91.4
478.29236	1.6
491.30148	9.1
509.31314	4.3
584.97131	1.4
692.50415	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	829.507
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	4.3
61.97439	0.6
66.62840	0.5
67.05510	5.6
69.03433	3.6
69.07069	3.0
71.01342	0.5
71.53547	0.5
73.02898	3.9
79.05498	3.6
81.03429	1.7
81.07053	5.7
83.08624	1.0
85.02897	4.5
88.46228	0.5
91.03973	2.7
91.05479	3.1
91.37598	0.6
93.07056	5.2
95.05000	0.8
95.08602	4.0
97.02888	4.6
97.10196	1.2
99.04505	0.8
101.02408	1.7
104.54484	0.6
105.07039	1.6
107.08625	3.0
109.02888	0.6
109.10175	1.6
119.08617	1.8
121.10179	2.1
123.08079	0.9
127.03972	1.5
131.08583	1.8
133.10156	1.6
135.11690	0.7
143.26953	0.5
147.04417	1.0
147.11676	0.8
157.10283	0.7
160.35454	0.6
227.20111	0.7
243.08554	2.5
284.57809	0.6
301.09000	0.7
333.20496	2.5
484.24588	0.6
519.29425	6.9
551.28430	3.1
591.31458	0.7
765.31726	0.6
789.85590	0.8
829.50720	100.0
830.51068	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	829.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	5.1
64.72498	0.9
67.05505	7.9
69.03439	3.3
69.07071	2.7
69.09992	0.8
70.16184	1.5
71.01350	0.7
73.02922	4.3
79.05505	6.5
79.56347	0.8
81.03423	1.8
81.07062	6.6
83.04984	0.8
83.08611	2.2
85.02917	5.0
89.06055	1.8
91.03986	3.2
91.05480	2.6
93.07049	5.5
95.08629	6.1
97.02885	5.0
97.06491	0.9
97.10172	2.4
99.04450	1.3
101.02370	0.8
103.04026	1.0
105.07069	1.5
107.08616	3.0
109.02888	1.1
109.10173	1.9
111.08073	1.0
119.08631	1.5
121.10158	3.1
123.11765	1.2
125.00010	1.0
125.09635	1.5
127.03973	0.9
133.08664	1.0
133.10269	1.3
135.11732	2.3
135.25435	0.8
147.04427	3.1
147.11832	0.8
185.04306	1.5
227.20049	2.0
235.20753	1.7
243.08499	3.6
333.20389	9.3
397.93799	1.0
469.55420	1.1
487.41730	1.7
519.29230	6.9
551.28430	4.3
664.91394	1.0
829.50708	100.0
830.50909	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	829.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	7.6
62.18264	1.3
67.05512	9.3
69.03445	3.3
69.07054	2.7
73.02908	3.7
79.05509	8.9
79.05889	1.8
81.03422	2.5
81.07045	6.7
83.04950	1.4
85.00941	1.4
85.02903	5.8
90.16800	1.2
91.03930	5.2
91.05486	4.6
93.07059	8.1
95.08603	6.5
97.02895	5.9
101.02384	3.3
105.07027	2.8
107.08588	2.2
109.02821	1.6
109.10172	2.1
117.03706	1.6
119.08556	1.9
121.10154	2.8
123.11712	2.0
133.10158	2.1
150.67960	1.5
158.51953	1.7
161.09615	1.7
201.07472	1.4
243.08400	2.1
247.13033	2.2
252.05011	1.4
263.76633	1.3
415.20660	1.5
465.20804	10.4
519.29303	16.3
581.37994	2.0
593.28503	1.8
669.71753	1.5
731.42969	3.8
741.01300	1.5
742.42456	2.1
743.43414	100.0
744.42834	4.2
811.49634	9.2
829.50275	21.7
836.42786	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	829.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	0.7
65.03948	1.2
69.03431	1.3
69.27808	1.8
70.06622	0.2
71.01350	0.4
71.04998	1.1
73.02923	0.7
75.04473	0.9
81.03423	6.8
83.04983	0.7
85.02909	5.9
87.66592	0.2
91.03970	0.2
91.05487	8.3
93.05517	0.9
95.01328	1.0
95.33694	0.2
97.02905	3.2
99.04462	12.0
101.02390	0.3
103.03951	3.0
107.04990	0.3
109.02885	14.8
110.03672	0.4
113.02393	0.6
117.05502	14.0
119.04949	20.9
127.03925	48.7
128.04260	0.5
137.05942	0.4
138.02119	0.2
141.01840	1.6
145.04968	1.9
147.04416	100.0
148.04770	0.9
157.08652	0.4
159.02907	0.3
159.06543	3.0
165.05472	2.0
169.04955	0.3
183.06541	2.7
187.06026	0.4
191.07304	0.2
201.07596	9.0
211.05972	1.1
211.07697	0.2
219.08647	3.3
221.08102	5.0
225.07547	1.1
229.07051	0.8
232.99689	0.2
235.05974	0.3
243.08611	0.8
250.44882	0.2
253.07027	0.3
255.06593	0.5
261.09610	0.7
263.09119	2.4
271.08127	0.8
275.07391	0.3
283.06876	0.2
285.06000	0.3
291.08630	2.4
293.08600	0.9
309.09726	3.8
323.07687	1.6
327.10724	5.3
345.11786	4.2
347.11447	0.3
351.10733	0.7
352.07169	0.2
359.09781	1.5
363.12726	0.5
363.38959	0.2
365.12204	0.6
380.35056	0.2
393.11948	1.3
435.12665	0.4
473.14661	0.4
485.12582	0.4
491.15436	2.0
503.13748	0.6
509.16611	3.4
521.83655	0.2
527.17554	2.8
592.31842	0.3
703.19879	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	3.4
61.30380	0.5
67.05503	5.6
69.03429	1.7
69.07059	2.8
71.05006	0.6
73.02919	3.6
79.05486	3.3
81.03420	1.3
81.07061	4.1
83.04985	0.4
83.08624	1.2
85.02901	3.5
85.06528	0.4
87.04444	0.4
91.03947	2.6
91.05486	2.9
93.07044	4.8
95.04996	0.6
95.08604	3.4
97.02881	3.2
97.06561	0.7
99.04457	0.4
101.02386	1.0
105.04510	0.5
105.07036	3.8
107.04968	1.0
107.08627	1.8
109.10163	2.8
115.67769	0.4
117.07017	0.6
119.08624	2.1
121.10165	1.5
127.03925	1.0
129.05472	0.5
129.06961	0.6
131.08589	1.1
132.36603	0.4
133.10133	2.9
135.11681	1.0
143.08578	0.4
145.10150	1.5
147.11707	1.1
149.09598	0.5
157.10056	0.5
159.11708	0.7
161.13278	0.8
169.02606	0.8
171.11795	0.5
173.11830	0.4
179.14351	0.4
185.04234	1.1
197.13466	0.4
201.03680	0.5
217.83620	0.4
229.14401	2.1
230.14833	1.1
243.08418	2.9
259.20734	0.5
275.20258	0.4
301.08908	1.3
313.27454	1.5
314.27765	1.0
315.10623	0.6
315.19327	4.7
317.21051	0.4
371.22168	1.2
465.21268	1.1
468.37634	2.4
495.21979	0.8
533.27167	7.6
535.28693	6.3
605.29449	1.4
633.32471	0.5
827.49146	100.0
828.49609	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	826.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05010	2.6
61.02927	8.2
65.03941	0.8
67.05507	52.2
69.03428	2.2
69.07072	5.1
69.87040	0.8
69.87428	0.6
71.05000	2.0
71.08633	14.3
73.02920	3.2
78.53051	0.3
79.05067	0.3
79.05502	1.4
81.03413	0.6
81.07060	14.0
83.08619	8.7
83.09116	0.4
85.02905	11.4
85.06547	1.4
85.10182	7.9
85.10663	0.6
86.09712	0.3
87.04489	0.4
89.06046	0.8
91.03959	7.4
91.05482	3.8
93.07039	2.8
95.04948	0.4
95.08613	13.5
97.02895	5.3
97.10171	2.8
99.04435	0.4
99.11742	0.8
102.05600	0.3
103.07584	0.4
105.07018	0.6
107.08591	1.3
109.02892	0.5
109.10160	56.3
111.08076	2.0
111.11716	0.7
115.03941	0.5
119.08581	4.0
121.10194	0.5
123.11739	1.9
127.03947	2.8
137.09628	2.8
137.13251	1.1
145.04953	2.9
146.08095	0.6
155.10675	5.4
163.06018	3.8
173.11748	15.6
184.07355	1.0
221.22641	0.4
229.14357	100.0
230.14693	0.7
236.54434	0.3
239.23592	1.7
253.00494	0.3
257.24661	1.6
301.79257	0.3
313.27371	74.6
314.27737	1.3
447.26965	0.3
467.37354	66.6
468.37418	1.8
625.00000	0.3
665.75793	0.4
712.83087	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05007	1.1
60.63888	0.6
61.02924	2.1
61.48002	1.0
65.03944	3.4
67.05510	50.0
67.97798	0.6
69.03429	2.2
69.07074	17.5
69.15531	7.2
71.04992	2.9
71.08650	0.8
72.16280	0.6
73.02896	0.9
76.80013	0.7
78.07920	0.6
79.05499	46.2
80.05846	0.9
81.03429	2.5
81.07063	43.8
83.04982	2.6
83.08617	9.5
84.04517	1.4
84.90102	0.7
85.02900	2.9
85.06538	2.4
91.03960	1.6
91.05488	48.2
93.07050	45.0
95.04981	5.1
95.08611	35.6
95.09229	0.9
97.02911	2.0
97.06540	3.0
97.10184	4.2
97.10722	0.7
99.08117	1.2
103.05475	2.0
105.04549	1.6
105.07037	46.6
107.04293	0.7
107.04965	1.7
107.08601	24.4
109.06519	2.3
109.10170	14.2
111.08136	1.5
115.05436	3.3
116.06255	0.8
117.07032	22.8
119.08591	34.4
121.06524	0.8
121.10152	17.8
123.08088	1.6
123.11736	3.7
125.09645	1.3
128.06227	3.2
129.05508	1.2
129.07016	15.9
130.07825	2.0
131.08577	24.7
133.10146	24.6
133.10928	0.8
135.08073	1.5
135.11700	9.5
137.09619	1.4
137.13260	1.0
139.11137	0.7
141.07024	6.3
142.07800	4.0
143.08566	19.2
144.09328	1.1
145.06525	1.1
145.10129	24.0
145.50169	0.7
147.08113	1.1
147.11702	15.8
149.09656	1.7
149.13275	5.7
151.11119	0.9
154.07814	1.6
155.08557	10.0
156.09375	2.2
157.10141	15.3
159.11703	18.5
161.13249	7.3
163.11269	1.1
163.14778	1.7
166.07739	0.8
167.08566	4.5
168.09267	1.0
169.10133	12.4
170.10866	1.0
171.11705	13.5
173.09723	0.8
173.13264	8.9
175.14877	2.5
177.05519	1.6
177.12776	1.0
179.08591	2.4
180.09338	1.0
181.10139	6.5
182.10941	1.6
182.88881	0.7
183.11693	13.2
184.07370	0.8
185.13266	11.2
187.14832	5.5
189.16441	2.3
191.08679	0.9
193.10190	2.5
194.10988	0.7
195.11728	7.3
197.13283	10.8
199.14877	6.1
201.16458	2.3
207.11769	3.0
209.13266	6.4
210.14107	0.8
210.30458	0.9
211.14816	5.0
213.16429	4.1
215.17999	1.5
219.11743	1.1
221.13298	2.3
222.13980	0.9
223.14891	3.6
225.16422	4.2
227.18082	1.7
229.19647	1.6
231.21100	1.5
233.13028	0.9
235.14917	2.1
237.16371	4.5
239.17976	2.9
241.19608	3.1
249.16441	1.3
251.17891	1.2
253.19638	1.0
257.18973	5.0
259.20590	6.1
261.22263	1.2
263.17984	1.3
265.19556	2.0
267.21161	0.8
275.20175	1.8
281.22778	0.8
285.22150	0.8
297.22031	1.2
299.20239	1.0
299.23764	1.1
309.21985	1.1
311.23819	1.6
315.23444	0.9
321.22058	1.1
327.23260	1.5
331.22650	2.2
333.24307	6.6
335.25842	2.8
337.25266	1.5
339.23209	1.2
343.26376	1.1
349.24823	0.9
351.26837	2.8
365.24649	1.4
379.30276	1.0
381.27893	0.8
391.29880	1.0
393.31705	1.1
421.30914	1.0
425.30618	0.9
435.32489	1.1
447.32501	2.7
449.34500	1.1
461.33942	1.0
465.34348	0.9
483.34760	1.0
487.34457	1.4
497.36490	1.0
499.39655	1.7
501.35498	1.1
515.37659	2.3
517.40466	11.5
521.36285	1.5
527.37384	2.0
535.41711	5.6
539.37476	3.2
540.38275	0.8
541.38623	1.0
573.42786	0.8
577.45026	0.8
586.13477	0.8
591.44098	10.9
609.45172	100.0
610.45789	3.4
717.48120	0.9
735.47638	0.8
753.49365	1.6
771.50464	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	824.551
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	5.2
64.48447	1.1
65.03926	6.3
67.05508	100.0
68.05840	1.2
69.03430	9.0
69.07071	31.4
71.04977	5.9
71.08633	1.8
73.02905	1.6
77.03902	1.9
79.05495	80.0
81.03423	9.7
81.07059	98.5
82.07396	2.4
83.04987	10.9
83.08627	12.1
83.21735	1.2
85.02899	11.1
85.06537	4.0
91.03957	3.3
91.05489	80.0
92.05796	2.1
93.07047	84.9
94.07376	1.5
95.04974	11.7
95.08611	61.3
97.02894	8.9
97.06533	9.9
97.10153	4.9
97.91537	1.2
98.09631	1.6
98.20715	2.5
99.04459	2.3
99.08071	6.7
103.05485	2.6
105.04530	3.0
105.07036	63.7
107.04939	4.2
107.07878	2.9
107.08598	49.1
108.08894	1.2
109.02935	1.7
109.06548	6.8
109.09457	2.3
109.10159	26.9
110.10488	1.9
111.04459	2.0
111.08077	6.2
111.11748	1.6
112.82005	1.4
113.09624	1.3
115.05462	2.3
117.07026	22.5
119.06078	1.2
119.08588	45.3
121.06524	4.6
121.09318	2.5
121.10150	32.8
123.08107	7.1
123.11730	6.7
125.09657	3.2
127.03925	3.7
127.07581	1.2
128.06215	3.0
129.05493	4.4
129.07007	10.1
130.07875	1.3
131.08574	31.5
133.05595	1.1
133.10135	45.8
134.10510	2.2
135.08081	4.2
135.11697	23.8
137.09622	3.4
137.13277	2.0
141.06989	1.7
142.07811	2.3
143.08577	7.5
145.04927	2.3
145.06525	1.7
145.10136	25.2
147.08134	2.4
147.11691	27.4
149.09622	8.8
149.13263	18.2
151.11191	3.9
155.08574	2.7
157.10130	8.9
159.11696	28.7
161.13249	18.7
163.11220	5.8
163.14838	3.5
165.09172	1.2
169.10095	3.2
171.11691	10.7
173.13293	13.6
175.11241	1.4
175.14801	6.9
177.12788	3.2
177.16313	1.2
179.14320	2.8
183.11693	2.2
185.13206	6.4
187.14914	5.7
189.12834	1.9
189.16347	1.7
195.13832	5.4
197.13252	2.8
199.14825	4.2
201.16452	2.2
211.14899	1.6
215.17928	1.5
217.15862	1.5
219.13904	1.6
221.13390	1.3
229.19547	2.1
237.25938	1.2
239.17923	2.6
241.19542	12.3
243.12100	1.5
243.21089	4.4
247.20717	2.5
253.14301	5.9
254.14746	4.6
257.19003	5.7
259.20602	29.2
261.22110	10.3
269.17453	12.5
275.20114	16.1
277.21747	1.4
291.19553	2.7
315.23044	1.5
331.22974	1.5
333.24280	21.5
335.25793	73.0
336.26212	4.5
337.26749	2.7
349.23785	9.7
366.23624	1.9
367.22940	1.4
443.89096	1.4
496.77994	1.3
519.42224	1.8
529.38892	39.1
533.37219	2.3
541.38959	1.8
593.45569	4.8
609.45026	3.4
611.46588	25.8
627.45325	6.4
642.84204	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	1.5
61.02923	1.9
65.03933	2.8
67.05506	70.3
69.02499	1.0
69.03432	7.2
69.06722	1.5
69.07068	20.8
71.04994	3.6
71.08569	0.8
77.03911	0.8
79.05494	69.9
81.03411	6.2
81.07057	62.7
83.04989	5.0
83.08618	25.1
85.02895	3.8
85.06537	2.9
87.04459	1.1
91.04889	1.6
91.05481	36.3
93.07044	58.3
95.04964	4.9
95.08605	40.8
97.02897	2.8
97.06522	4.6
97.10172	43.1
99.08058	1.1
105.04564	1.3
105.06299	1.1
105.07028	35.5
107.04953	4.4
107.08598	76.8
109.02872	3.2
109.06527	4.1
109.10162	25.5
111.08080	3.6
111.11603	1.0
111.65624	0.9
113.09568	0.9
115.05457	1.2
117.07024	13.1
119.06098	1.1
119.08585	21.0
121.06491	1.0
121.10143	23.2
123.08095	2.2
123.11701	6.3
125.09628	37.4
127.03891	3.0
128.06149	1.2
129.07010	3.5
130.07698	1.1
131.08572	19.1
132.05707	0.9
133.10130	19.7
135.08046	4.0
135.11690	15.5
137.09610	1.4
137.13229	1.4
141.06923	1.0
143.08565	4.1
143.10614	1.4
145.10133	18.8
147.11688	13.9
149.09628	7.8
149.13229	6.8
153.09088	2.5
153.12759	1.1
155.08545	2.1
155.10507	1.0
157.10126	3.9
159.11684	10.8
161.13268	6.9
163.11243	2.6
163.14825	3.9
169.10094	3.0
171.10185	3.0
171.11691	3.5
173.13235	7.3
175.14792	2.3
177.12720	1.3
177.16402	1.2
181.12248	1.6
183.11742	3.3
185.13272	3.0
187.13316	1.2
187.14835	2.8
189.11227	20.0
189.12674	0.8
197.13205	2.4
199.14825	2.0
213.16533	1.4
215.17986	1.0
225.16541	0.9
227.12779	48.5
229.19547	1.3
236.35583	0.9
239.18033	2.9
241.19624	2.0
243.15894	2.0
243.21118	4.0
245.13763	4.4
257.18994	9.9
259.20651	4.4
261.22113	14.0
275.20074	36.8
277.21774	1.4
293.21198	1.1
313.21561	1.1
315.13647	1.0
317.24692	2.9
329.20920	1.2
331.22656	5.1
333.24142	3.8
335.25797	84.5
336.26123	1.9
349.23746	43.3
351.25287	2.5
367.29718	1.5
368.31006	1.0
389.17902	4.4
413.30246	1.2
487.33905	2.8
505.28067	1.4
505.35251	23.3
517.40527	1.5
535.41492	1.2
591.44006	2.1
609.45129	100.0
610.45386	4.0
627.46057	17.5
649.39648	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	824.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	1.2
61.02913	3.9
65.03935	4.1
67.05508	91.7
67.99614	0.8
69.03430	10.1
69.07071	33.5
69.15059	2.8
69.15464	6.5
71.04985	5.5
71.44050	0.8
73.02921	1.4
77.03932	1.3
79.05495	72.7
81.03414	10.9
81.07058	91.0
83.04989	9.4
83.08619	15.7
84.98479	0.7
85.02899	5.9
85.06548	3.5
85.47047	0.9
91.03945	2.0
91.05483	49.7
93.07047	77.1
95.04985	9.6
95.08610	54.7
97.02890	6.1
97.06542	13.1
97.10155	7.4
99.04439	1.6
99.08093	3.0
105.04528	2.0
105.06296	1.4
105.07030	40.1
107.04960	6.5
107.08598	44.6
109.02865	1.2
109.06525	4.8
109.10162	21.9
111.04379	1.2
111.08086	4.7
113.09645	2.1
115.05461	2.2
117.07008	17.3
119.08586	23.1
121.06508	3.7
121.09328	1.8
121.10148	29.1
123.08079	3.5
123.11731	7.1
125.09636	5.5
127.03923	2.8
128.06305	1.5
129.05519	2.0
129.07016	5.6
130.07774	1.0
131.08571	21.9
133.10135	24.9
135.08090	4.3
135.11696	18.0
137.09610	3.0
137.13229	2.5
141.06992	2.0
142.07784	1.3
143.08549	4.5
145.05038	1.0
145.06517	1.2
145.10126	18.7
147.08078	1.3
147.11684	12.5
149.09637	9.2
149.13258	13.3
151.11174	2.9
155.08575	2.5
157.10124	4.0
159.08044	1.4
159.11690	16.6
161.13243	7.2
163.11172	5.4
163.14871	1.6
165.12740	1.0
169.10101	2.2
171.10339	1.0
171.11732	4.9
173.04451	2.8
173.09648	1.6
173.13283	8.5
175.11230	1.3
175.14876	2.6
177.12779	4.0
179.14380	1.7
183.11653	3.1
185.13219	2.0
187.14847	2.5
189.11235	2.4
193.12317	1.1
195.13860	4.3
197.13283	1.4
199.14888	2.1
201.12643	1.0
201.16467	1.3
203.17815	1.2
213.14804	1.2
215.17851	1.4
227.12781	4.9
229.14258	1.0
229.19426	1.2
231.52731	0.9
239.17946	3.4
243.21063	3.0
247.20662	2.2
255.15884	7.3
257.18988	6.2
259.20688	2.1
261.22147	10.7
267.15887	1.6
269.17499	21.2
274.67996	0.9
275.20087	24.5
293.21100	3.4
317.24756	3.3
330.90417	1.0
331.22647	2.2
335.25809	100.0
336.26019	1.2
349.23740	21.5
367.24939	3.1
395.20911	1.2
410.08984	1.0
413.21640	2.5
437.33719	1.8
455.35403	1.1
505.35046	2.5
513.39746	1.3
515.37311	21.0
517.40228	1.1
527.37567	1.3
529.38928	72.7
530.39508	1.3
569.04242	1.0
569.41956	1.9
591.44373	1.4
609.45148	29.3
627.46179	8.7
673.42175	2.4
761.63031	1.0
771.50189	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	10.7
57.07061	3.5
61.02925	1.9
65.03934	3.9
67.05508	89.2
68.73884	0.9
69.03430	6.7
69.07072	27.4
70.24420	0.9
71.04996	6.6
71.08609	1.1
72.99951	0.9
73.02882	1.2
77.03914	1.4
79.05499	66.8
80.30499	0.9
81.03419	8.6
81.07061	96.9
83.01343	0.9
83.04991	14.0
83.08619	10.8
85.02897	3.6
85.06541	5.8
89.06012	1.2
91.05485	67.7
93.07048	73.4
95.04984	12.4
95.08612	43.4
95.09094	0.6
95.09249	1.3
97.02890	3.4
97.06121	0.7
97.06542	8.4
97.10164	3.8
98.21518	2.5
99.04450	1.7
99.08069	1.4
103.05439	2.0
105.04496	2.1
105.07036	58.6
107.04955	9.2
107.08600	56.5
109.02841	1.8
109.06522	9.5
109.10160	59.0
111.04472	1.6
111.08047	3.0
113.05964	1.9
117.07019	12.7
119.04932	1.0
119.07795	1.6
119.08586	20.4
121.06506	9.0
121.10153	22.4
123.04411	1.3
123.08086	5.9
123.11724	10.8
125.09661	2.2
127.03916	1.1
127.07533	2.3
128.06221	2.2
129.05426	1.0
129.07011	5.7
130.07751	1.6
131.08580	23.4
133.06491	6.1
133.10138	62.6
134.10516	1.1
135.08060	8.1
135.11703	15.9
137.05876	0.9
137.09610	4.2
137.25960	0.9
139.07516	1.7
139.11139	1.2
142.07753	1.6
143.08546	5.4
145.06535	1.6
145.10133	14.0
146.07153	1.0
147.08075	5.4
147.11690	9.1
149.09631	7.9
149.13290	7.3
151.09970	1.5
151.11180	28.1
151.12366	2.0
153.12706	0.9
157.10130	4.6
159.08151	2.3
159.11720	7.7
161.09612	9.6
161.13242	4.9
163.11182	3.4
163.14845	2.7
165.09096	1.4
165.12700	1.3
169.10091	3.1
169.12227	5.3
171.11658	4.4
173.09677	1.5
173.13283	3.4
175.11235	3.1
175.14885	1.8
177.09091	2.8
177.12694	1.8
179.10695	1.9
181.08545	1.1
181.10112	1.4
183.11475	1.4
185.13242	3.2
187.11232	1.4
187.14760	1.7
189.12776	1.9
193.12289	1.1
195.11658	1.0
199.11284	1.3
199.15009	1.2
203.14371	1.3
209.13509	1.1
213.12727	1.4
213.16400	1.2
215.12819	3.6
223.13251	2.1
227.18034	1.6
237.16347	1.8
238.09019	1.0
241.19328	1.1
243.21088	2.6
245.19070	7.8
249.14647	1.3
251.12747	3.6
253.14372	83.4
255.17456	3.2
259.20554	2.2
261.22137	13.0
263.20163	5.1
271.15433	3.9
273.18503	31.7
275.20120	2.8
277.21716	1.1
289.21872	1.1
291.19540	35.4
292.19998	1.1
309.20551	3.1
317.24606	2.3
329.20978	1.5
333.24213	1.5
335.25812	73.0
336.26080	1.5
347.22198	13.4
349.23868	1.2
365.23248	56.2
383.24185	2.0
439.32300	1.7
457.33380	2.0
487.34290	1.1
513.35712	7.8
515.37811	1.1
529.35248	2.9
531.36816	17.8
607.43652	9.5
625.44666	100.0
626.44489	3.4
643.45532	1.9
747.40131	1.1
788.80939	1.0
822.58893	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	12.7
57.07077	2.9
61.02924	3.3
65.03941	4.7
67.05510	89.2
69.03413	4.8
69.07073	23.5
70.34363	1.4
71.04993	7.5
79.05498	70.3
81.03404	6.6
81.07063	92.5
83.05003	10.7
83.08636	8.3
85.02897	3.7
85.06537	7.6
91.05487	63.3
93.07049	69.0
95.04978	10.8
95.08614	45.2
97.02859	1.9
97.06537	7.6
97.10168	5.7
99.04459	2.3
103.05474	1.9
105.04526	1.9
105.07037	55.1
107.04951	6.0
107.08601	55.6
109.06534	7.7
109.10160	68.8
110.10542	1.6
111.08056	4.3
113.06033	2.8
115.05477	1.6
117.07029	12.1
119.08590	20.5
121.06489	7.4
121.10147	19.9
123.08045	3.7
123.11729	11.0
125.09653	2.4
127.07540	2.3
128.06194	1.4
129.07014	3.2
131.08575	18.2
133.06500	4.5
133.10139	77.3
133.82077	2.0
135.08063	6.9
135.11702	14.0
136.66122	1.5
137.09601	3.0
143.08549	5.8
145.10114	13.1
147.08054	4.5
147.11678	5.5
149.09636	7.7
149.13245	6.0
151.11186	32.3
157.10194	3.4
159.08009	2.2
159.11700	5.9
161.09666	8.1
161.13222	3.9
163.11147	3.1
163.14873	2.4
167.10674	1.6
169.12254	5.3
171.11655	2.2
173.13280	5.5
175.11247	3.0
179.10608	1.5
185.13272	2.2
187.14816	3.3
189.12866	1.8
199.14880	1.8
215.12759	3.1
227.17902	1.8
233.22682	1.9
243.20996	3.4
245.19083	4.2
251.12778	2.1
253.14369	100.0
255.17433	1.7
259.20612	2.0
261.22122	12.1
263.20013	2.8
273.18518	23.1
282.51889	1.5
291.19519	19.6
309.20624	2.4
317.24924	3.1
335.25821	90.0
347.22205	7.8
365.23254	38.6
398.04956	1.8
513.35608	4.5
529.34937	5.5
531.36902	41.7
607.43689	8.5
625.44672	79.4
626.44702	2.2
643.45227	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	822.5363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	6.0
57.07062	1.7
65.03944	4.0
67.05509	43.8
69.03431	1.8
69.07072	31.6
71.04984	2.0
71.08610	0.9
77.03903	1.1
79.05496	45.0
81.03418	6.9
81.07061	54.3
83.04998	6.3
83.08623	9.3
85.06538	3.1
91.05485	70.4
93.07047	47.1
95.01321	7.7
95.04984	8.3
95.08607	35.1
97.06536	18.2
97.10168	3.4
99.08092	2.2
103.05470	2.5
105.04543	1.7
105.07036	97.7
106.07333	1.2
107.04294	1.3
107.04961	15.0
107.08603	22.7
109.06548	4.3
109.10168	10.6
111.04410	1.1
111.08063	2.2
112.56707	0.8
113.09638	1.4
115.05476	2.1
116.06257	1.0
116.30457	0.9
117.07024	18.5
117.23186	1.0
118.69518	0.9
119.08587	53.0
121.06490	2.4
121.10149	15.4
123.04424	2.4
123.08052	3.5
123.11721	2.3
125.09632	2.6
128.06233	2.4
129.05502	1.3
129.06999	7.7
130.07764	1.1
131.08577	27.6
133.06512	1.2
133.10135	50.6
135.08046	3.1
135.11717	13.5
137.09610	2.7
139.07620	1.2
141.06990	2.4
142.07808	1.2
143.08588	8.5
145.06499	2.4
145.10129	23.5
145.11292	1.2
147.08028	1.3
147.11696	29.4
149.09660	5.9
149.13264	6.7
151.11180	1.4
155.08525	1.0
156.09354	0.9
157.10132	8.4
159.11707	16.7
161.09526	1.1
161.13258	16.5
163.11168	4.0
163.14815	0.9
165.09082	1.2
165.12787	1.5
169.10100	2.6
171.11696	9.0
173.09479	0.8
173.13242	7.8
175.11186	1.0
175.14836	8.3
177.12772	3.1
179.14357	9.7
181.10069	1.2
183.11688	3.5
185.13261	4.1
187.11143	2.8
187.14842	2.3
189.12732	0.9
191.14359	1.0
197.13257	3.0
199.14751	2.6
207.11888	0.8
215.17966	1.4
219.17490	2.7
231.21010	2.3
239.17998	2.9
241.19504	15.6
247.16966	1.0
247.20639	1.3
257.19077	6.1
259.20584	28.3
275.20068	58.6
276.20508	1.3
277.21713	1.6
279.15982	1.3
293.21100	4.4
315.23175	7.4
331.22897	0.9
333.24237	50.8
334.24640	1.2
349.23749	49.8
351.25308	1.3
403.24796	1.0
437.33792	1.4
511.37756	1.7
513.35675	2.7
519.69012	0.9
527.36835	1.1
533.39728	1.4
551.40845	1.5
607.43585	100.0
608.43451	3.3
625.44568	13.8
773.29083	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03191	0.8
57.03443	9.0
57.07063	2.2
57.64275	0.7
59.04984	1.0
60.92024	0.8
61.02917	0.9
65.03934	2.1
67.05506	54.6
69.03429	7.9
69.07068	29.9
70.69006	1.8
70.69363	1.3
71.04978	1.9
77.03919	0.8
79.05013	1.1
79.05495	41.7
81.03433	4.5
81.07059	45.7
83.04984	3.9
83.08619	11.4
85.02895	2.0
85.04924	0.8
85.06538	1.8
91.05483	24.6
92.42169	0.9
93.07044	40.6
94.76880	0.8
95.04984	7.1
95.08610	32.9
97.02888	10.7
97.06521	4.5
97.10173	12.6
105.04526	1.3
105.07032	18.7
107.04952	4.6
107.08598	23.9
109.02905	0.9
109.06518	2.6
109.10160	16.1
111.04420	0.9
111.08089	2.2
115.05421	1.1
117.07024	7.4
119.04917	1.5
119.08586	16.6
121.06501	3.0
121.10146	14.9
123.08066	4.5
123.11700	3.8
125.09618	8.2
128.06154	1.5
129.06993	2.4
130.07765	1.3
131.08577	12.2
133.06473	2.5
133.10133	7.3
134.07240	1.0
135.08061	3.8
135.11694	7.7
137.09601	2.3
137.13297	0.9
138.98822	0.9
139.11136	1.0
143.08563	3.0
145.10121	8.3
147.08037	5.3
147.11668	4.6
149.09630	1.6
149.13257	5.3
151.11188	1.3
157.10132	3.0
159.08054	1.0
159.11703	4.8
161.09637	3.6
161.13271	2.4
163.11122	2.0
163.14813	1.7
165.09167	1.0
169.10136	0.9
169.12312	1.4
171.10168	1.1
171.11650	1.9
173.13293	1.8
175.11194	1.7
175.14919	1.0
177.12769	1.6
187.14801	1.3
189.11240	3.2
189.12776	1.1
195.13879	0.8
205.12256	1.7
211.13300	0.8
223.13277	20.6
227.12796	3.6
227.18048	1.5
231.17200	0.9
235.40216	0.8
237.16328	1.1
243.21021	2.7
249.14851	3.1
255.17397	0.9
261.22113	10.4
263.20181	1.1
267.15909	1.3
273.15817	1.2
273.18509	11.3
275.19809	0.8
291.19550	100.0
292.20001	1.6
317.24808	3.1
335.25809	88.8
336.26257	1.4
347.22137	2.5
365.23227	55.5
366.23923	1.0
527.37146	1.7
531.37610	0.8
545.38397	3.3
551.41199	1.0
607.43457	2.7
625.44623	89.9
626.44476	3.3
737.49982	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03191	1.4
57.03442	18.4
57.07058	1.5
59.05007	7.9
61.02905	4.2
65.03925	4.6
67.05506	100.0
68.05836	1.3
69.03439	10.7
69.07067	41.2
69.30683	6.9
69.31094	3.7
71.04993	12.3
71.08620	1.1
79.05493	56.4
80.05823	1.3
81.03419	87.8
81.07056	63.7
83.04984	12.6
83.08620	27.3
85.02899	6.5
85.06544	5.2
87.04455	5.1
91.05485	59.1
93.07043	51.2
95.01329	1.3
95.04367	2.3
95.04971	38.5
95.08611	38.2
97.02920	7.5
97.06522	15.6
97.10176	13.3
98.20711	1.3
99.04420	2.5
99.08066	2.8
105.04556	2.0
105.07030	42.0
107.04959	17.2
107.08591	27.4
109.02865	2.5
109.06520	7.3
109.10158	45.4
111.04411	5.0
111.08085	13.1
113.05963	1.8
115.05462	3.7
117.07037	11.3
118.71289	1.2
119.04955	2.0
119.08585	30.9
120.08926	1.3
121.06481	7.2
121.10148	23.7
123.04434	1.8
123.08070	8.5
123.11680	4.1
125.06020	1.7
125.09637	10.8
127.03880	2.2
128.06233	2.0
129.05482	2.2
129.06995	16.6
131.04909	1.5
131.08575	21.8
133.06468	5.5
133.10138	22.4
135.08057	6.6
135.11684	15.5
137.09619	14.1
139.11191	2.0
141.06943	1.9
142.07732	3.5
143.07181	1.4
143.08574	6.1
145.06462	3.6
145.10133	14.9
147.08063	8.2
147.11697	17.5
149.09628	25.4
149.13246	3.4
151.11179	4.8
153.09073	2.3
155.08517	3.2
155.10637	5.1
157.10136	15.7
159.08075	2.9
159.11684	8.9
161.09625	3.2
161.13280	3.4
163.11166	14.6
165.09077	1.9
165.12811	2.5
169.10104	3.9
171.10239	2.4
171.11699	3.5
173.09596	2.4
173.11719	12.8
173.13255	4.2
175.11203	10.4
177.12750	3.9
179.10829	1.5
179.14301	2.3
181.10077	1.3
181.12189	2.3
183.11607	2.9
185.09596	2.0
185.13200	2.8
187.11197	3.0
187.14882	2.0
189.11197	4.5
191.10678	2.5
193.12253	35.8
195.11670	1.7
195.13823	3.3
199.11316	1.7
199.13290	2.8
201.12735	1.9
203.14281	1.8
205.12216	2.4
207.13852	1.4
211.13274	7.2
217.12247	1.5
219.13930	2.1
223.13293	4.5
225.14841	5.7
227.12787	12.7
229.14336	52.3
231.13646	1.2
233.15381	1.9
235.13072	1.6
239.18143	1.4
241.14267	2.5
243.15846	5.0
247.20560	2.0
249.14923	4.0
253.14307	3.7
255.15898	4.5
257.19012	2.7
259.15451	2.4
267.15918	85.8
269.17465	5.0
273.14993	2.6
273.18484	4.7
275.20078	19.6
276.20404	2.1
283.15485	1.6
285.16962	2.2
291.19556	7.4
293.21042	1.7
297.16882	1.7
311.20081	2.4
315.17975	2.0
329.21121	5.7
347.22220	3.4
349.23795	18.9
350.24182	2.1
355.22714	2.0
363.21725	1.3
365.23187	4.5
383.24347	1.5
395.24072	2.0
403.24792	4.4
409.25797	1.9
421.25836	38.9
423.27417	4.9
429.26212	2.3
435.27673	6.6
445.29614	3.3
447.27512	28.5
449.30154	2.2
461.28882	4.1
467.30963	2.4
477.28375	2.2
489.28366	2.2
509.31213	2.1
541.35272	42.7
544.37305	1.5
557.34363	4.1
559.36511	11.6
566.35760	1.5
607.36938	1.7
642.43945	2.7
698.22980	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	822.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.9
57.07074	0.8
61.02927	4.0
65.03928	1.1
67.05510	23.1
69.03419	1.7
69.07075	9.0
69.32462	2.3
69.32882	1.8
71.04990	2.3
73.02908	1.5
79.05498	14.2
81.03420	5.8
81.07063	35.2
82.19788	0.5
83.05000	2.5
83.08627	8.3
85.02901	5.6
85.06538	1.9
91.03955	2.3
91.05483	12.1
93.07049	23.0
93.07636	1.2
95.04959	3.7
95.08619	9.5
96.04886	0.6
97.02891	3.2
97.06538	6.0
97.10169	1.3
99.08080	1.1
105.07030	7.9
107.04964	1.5
107.08596	12.0
109.06522	1.9
109.10174	3.0
111.08085	3.4
115.07623	0.6
117.07021	5.5
119.08576	4.8
121.06520	1.2
121.10149	7.4
121.10942	0.8
123.08077	1.0
123.11709	2.2
125.09634	1.5
127.03915	1.1
129.07024	2.9
131.08571	7.4
133.06503	0.7
133.10139	8.9
135.08070	2.2
135.11700	5.6
139.11238	0.6
141.06975	0.9
143.08598	2.1
143.58582	0.5
145.04941	1.1
145.10117	1.9
147.08105	0.8
147.11705	1.6
149.09636	1.3
149.13268	11.7
151.11153	0.9
155.08560	0.9
157.10167	2.4
159.11708	6.6
161.09647	0.7
163.06065	1.3
163.11215	0.8
169.10095	1.0
171.11659	1.0
173.04491	0.9
173.13396	0.6
175.11209	0.7
177.12753	2.6
187.11420	0.5
189.11143	0.6
191.75774	0.5
193.12294	1.1
195.13795	6.2
197.13351	0.9
199.14828	0.8
209.90154	0.5
213.14835	0.5
215.17924	0.5
227.12732	0.9
229.14293	1.2
251.16350	1.1
267.15958	2.9
269.17480	19.2
273.18262	0.7
287.14490	0.5
291.19540	0.6
292.19052	0.6
335.23715	0.6
339.18173	0.8
353.24863	1.3
371.26007	1.8
395.20581	0.7
413.21780	1.1
427.28574	0.8
435.30957	0.6
445.29605	15.4
447.27786	0.6
461.29095	0.9
463.30573	100.0
464.31210	2.4
481.31354	1.8
493.31482	0.8
515.54401	0.6
542.83551	0.6
557.34741	2.4
571.32428	0.9
575.35638	1.1
607.34851	12.1
660.39746	0.6
794.32556	0.6
822.49280	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03188	0.3
57.03443	3.9
57.07076	0.8
61.02646	0.4
61.02934	5.1
64.46632	0.2
65.03931	1.2
67.05509	25.2
69.03423	1.6
69.07074	7.8
71.01366	0.3
71.05001	2.1
71.08633	0.2
71.46001	0.3
71.53093	0.2
73.02917	1.9
79.05499	15.9
81.03427	3.1
81.07061	32.5
83.04990	2.6
83.08627	8.0
85.02908	5.8
85.06541	1.6
91.03961	4.0
91.04545	0.3
91.05486	11.4
93.07047	24.2
95.04992	2.5
95.08611	10.1
96.04558	0.3
97.02898	3.3
97.06537	4.7
97.10174	1.4
99.04472	0.7
99.08109	0.9
101.33330	0.2
105.04515	0.4
105.07034	6.0
107.04975	0.6
107.08600	14.1
109.02895	0.5
109.06508	1.1
109.10166	2.8
111.04441	0.5
111.08082	3.4
113.06007	0.3
113.09651	0.4
115.05450	0.3
117.07025	5.4
119.08590	3.3
121.06502	1.5
121.10154	7.7
123.08067	0.8
123.11720	2.2
125.09628	0.7
127.03900	1.5
127.07557	0.3
128.06183	0.4
129.05498	0.3
129.07040	1.7
131.08578	6.4
131.09526	0.4
133.06520	0.3
133.10136	7.5
134.10501	0.2
135.08031	1.4
135.11710	4.7
137.09685	0.4
139.11215	0.6
141.07040	0.6
143.08546	1.6
145.04950	1.3
145.06541	0.2
145.10150	1.7
147.07971	0.5
147.11665	1.2
149.09659	0.7
149.13266	12.0
150.13721	0.2
151.11189	0.8
153.09161	0.4
155.08589	0.9
157.10106	1.3
159.11703	5.6
161.13205	0.3
163.06030	1.4
163.07689	0.2
163.11285	0.4
165.12851	0.3
167.08589	0.3
167.14362	0.4
169.10115	0.5
171.11737	0.9
173.04428	0.3
173.13316	0.4
175.11240	0.4
177.12750	3.3
181.10196	0.6
183.11736	0.6
183.50952	0.2
185.13306	0.5
193.12308	0.4
195.11958	0.5
195.13802	6.5
195.15472	0.4
197.13333	0.6
199.14798	0.3
209.13373	0.3
213.14931	0.8
217.15938	0.3
227.12659	0.3
229.14182	0.3
249.14835	0.3
251.16399	1.7
267.15955	1.0
269.17484	22.3
270.17712	0.4
273.18582	0.4
292.19104	0.3
293.19565	0.3
297.16861	0.3
309.22632	0.3
327.90228	0.2
335.23605	0.6
339.18240	0.3
353.24741	1.5
371.25925	0.9
377.19940	0.3
389.26926	0.9
413.21838	0.7
427.28729	1.0
445.29556	12.8
463.30566	100.0
464.30917	2.6
481.31696	0.8
487.30991	0.3
557.34906	0.7
571.32257	0.3
575.36255	0.4
589.33588	0.8
607.34851	7.3
608.34332	0.3
625.35492	0.3
822.48315	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	12.0
57.07075	2.4
61.02921	3.9
61.24932	2.2
65.03923	4.6
67.05508	88.8
69.03425	11.5
69.07068	28.5
69.22038	2.1
71.04987	8.0
72.08157	2.5
79.05498	66.3
81.03417	21.1
81.07061	100.0
83.04989	12.9
83.08622	21.7
85.02911	7.0
85.06539	6.3
91.03955	2.4
91.05482	62.2
93.06475	4.1
93.07051	62.8
95.04961	14.0
95.08056	3.9
95.08616	44.5
97.02908	8.0
97.06536	23.0
97.10173	11.5
99.04455	2.3
99.08080	3.2
103.05438	2.4
105.07033	54.2
107.04954	15.4
107.08597	51.0
109.02866	3.5
109.06517	10.0
109.10155	29.0
111.04444	2.6
111.08098	7.6
117.07024	25.3
119.04935	2.1
119.08582	38.7
121.06499	6.7
121.10154	21.8
123.08073	8.5
123.11707	6.6
125.09650	14.4
127.03926	6.1
128.06210	2.6
129.07024	10.7
131.08578	33.2
133.06508	3.6
133.10136	37.8
133.24971	2.2
135.08052	8.6
135.11681	15.4
137.09633	5.6
141.06978	3.2
142.07809	3.5
143.08551	9.5
145.06508	6.2
145.10117	24.5
147.08003	4.1
147.11684	17.9
149.09605	12.9
149.13269	14.0
151.11198	6.2
153.17900	2.4
155.08490	5.4
157.10126	11.1
159.11679	22.4
161.09686	4.6
161.13316	8.2
163.11240	8.2
165.12759	4.0
169.10172	5.9
171.11700	9.0
173.04446	3.5
173.09602	3.7
173.11897	3.7
173.13295	9.0
175.11261	3.8
177.12830	5.6
183.11705	5.5
185.13252	5.0
187.14899	2.5
189.11230	4.7
195.13948	5.1
197.13275	4.4
199.14832	4.0
205.12094	2.7
209.13284	3.1
216.80832	2.5
227.12799	16.6
229.14372	8.3
229.19633	2.8
239.18027	5.1
244.27089	2.2
246.40045	2.5
247.20546	4.8
253.14301	2.7
257.19016	10.9
267.15884	5.6
269.17459	22.8
273.18414	2.7
275.20090	59.5
291.19592	3.9
293.21106	6.8
331.22632	4.5
349.23734	45.7
351.25204	2.9
367.24747	9.7
413.21771	4.7
445.29303	3.7
463.30545	6.7
525.35797	5.1
529.35266	4.4
543.36853	41.2
552.68903	3.1
561.37360	8.6
595.43384	3.4
623.43488	16.9
641.43762	20.2
647.36487	2.5
659.45172	4.9
687.40350	6.4
705.41913	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	821.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	17.8
57.07063	5.6
61.72912	1.9
65.03932	7.3
67.05511	76.4
69.03421	4.7
69.07067	17.1
69.15203	23.5
71.04991	2.3
71.47212	2.1
79.05495	53.4
80.05837	2.5
81.03440	12.9
81.07064	67.7
83.04984	18.5
83.08616	11.2
85.02896	2.5
85.06552	7.0
85.91222	2.4
91.05486	58.8
93.07049	53.7
95.04978	33.0
95.08616	45.6
97.02914	5.3
97.06525	8.1
97.10173	4.4
103.05460	3.4
105.04515	3.6
105.07037	47.1
107.04963	49.9
107.08604	24.4
108.05706	3.1
109.06508	21.1
109.10172	18.3
110.07304	3.7
111.04433	7.9
111.08090	2.9
112.05207	5.3
113.05997	4.7
115.05443	5.7
117.07034	23.2
119.04958	4.2
119.08598	27.9
120.05697	2.4
121.06490	11.0
121.10137	19.7
122.07249	10.5
123.04436	5.2
123.08071	7.9
123.11722	4.4
125.06007	5.3
128.06227	6.7
129.07001	9.1
131.04915	3.0
131.08583	19.0
133.06502	18.9
133.10135	13.4
135.04449	3.2
135.08043	15.7
135.11684	12.5
137.09619	4.3
141.07005	4.8
142.07823	2.6
143.08549	9.8
145.06488	9.1
145.10158	14.2
147.08061	26.4
147.11632	5.3
148.08783	2.7
149.09619	5.4
151.07469	2.5
155.08487	2.4
157.10104	6.1
159.08018	5.1
159.11696	8.5
161.09641	15.1
161.13255	6.2
163.11147	6.4
165.09102	3.4
169.10150	4.3
171.11720	5.2
173.13284	7.9
175.11195	5.3
177.12663	4.1
183.11777	3.0
185.13289	4.8
187.11111	3.4
187.14796	5.2
189.12732	3.0
197.13350	4.6
203.14400	3.5
205.15877	4.0
215.14423	4.5
217.15919	3.6
233.15364	12.6
243.13983	2.5
249.14832	2.7
261.14865	2.7
271.16907	3.6
273.18500	8.2
275.20108	3.9
289.17960	11.3
290.18723	14.4
291.19458	4.6
300.65729	2.2
307.19009	4.1
314.27734	4.3
325.19955	2.8
335.18585	4.1
335.25803	62.2
363.21600	3.9
381.22815	26.8
513.39691	2.7
567.40118	6.6
595.39502	8.6
595.48822	2.6
606.48267	2.8
607.43286	3.7
623.43207	5.2
624.43201	5.6
641.44122	100.0
642.43835	5.3
810.72882	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	820.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.1
57.07081	0.8
60.10122	0.7
65.03959	0.8
67.05508	21.3
67.05873	1.0
68.99795	0.7
69.03423	1.2
69.06728	1.2
69.07074	18.5
70.42415	0.6
70.63020	0.7
70.91284	0.7
71.05024	0.9
74.64798	0.6
79.05501	20.0
81.03432	5.2
81.07066	32.1
83.04978	3.7
83.08633	4.0
85.06546	1.4
91.05488	32.5
93.07050	19.2
95.01337	5.7
95.04975	6.1
95.08617	16.6
97.06540	34.7
97.10186	1.3
103.05482	1.6
105.07039	46.2
107.04955	10.8
107.08612	7.9
109.06551	1.7
109.10180	5.3
111.08100	1.5
115.05448	1.3
117.07040	8.1
118.30558	0.7
119.08584	24.9
121.06511	2.4
121.10152	4.6
123.04427	1.6
123.08060	2.4
123.11715	1.5
125.09627	1.4
129.07018	1.9
131.08574	11.2
133.06540	0.8
133.10143	24.8
135.08057	2.9
135.11678	5.1
137.09615	1.4
139.07561	1.6
141.06987	1.3
143.08588	2.0
145.06503	1.8
145.10138	9.7
147.11687	9.0
149.09653	5.4
149.13283	1.6
151.11180	1.6
155.08575	1.3
157.10167	1.9
159.11691	5.2
161.13342	3.1
163.11171	3.9
165.09190	0.7
165.70935	0.6
169.10135	2.1
171.11774	1.2
173.13297	2.4
175.11272	0.7
177.12799	2.8
179.14355	8.8
179.15857	1.1
183.11694	1.1
184.07384	1.3
187.11249	2.3
187.14787	0.8
191.39014	0.7
195.13954	0.8
213.16342	0.9
215.18140	0.8
219.17526	1.1
229.19626	0.8
239.18040	1.7
247.20638	1.8
255.23264	1.3
257.19083	3.6
257.41650	0.7
275.20084	58.1
293.21173	3.9
297.66980	0.7
325.17786	0.7
349.23752	41.3
350.24323	0.7
471.26077	0.9
555.05414	0.6
623.43091	100.0
624.43243	4.0
641.44238	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	819.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	23.0
57.07079	2.0
60.47324	1.5
65.03928	5.2
66.65752	1.7
67.05511	72.6
69.03437	11.9
69.07076	18.3
69.52512	5.0
69.52925	6.6
71.04990	5.9
76.35559	1.4
79.05077	3.0
79.05502	45.1
79.05962	2.6
79.64000	1.9
81.03429	19.8
81.07066	49.6
83.04990	8.8
83.08616	12.3
85.02901	6.7
85.06559	10.1
91.05492	48.8
91.06079	2.4
93.07054	46.0
94.48989	1.7
95.04979	61.6
95.08618	27.2
97.02872	6.3
97.06528	17.0
97.10145	4.4
99.04433	5.5
103.05463	2.0
105.04468	2.8
105.07035	39.3
105.81984	1.7
107.04973	15.1
107.08608	28.6
109.02885	3.0
109.05806	2.9
109.06531	58.2
109.10168	11.2
111.04414	3.9
111.08080	5.0
113.06017	30.2
115.05434	4.8
117.07018	17.2
119.04947	1.5
119.08601	23.8
121.06512	8.4
121.10136	13.6
123.04427	2.0
123.08086	8.1
123.11755	2.6
125.09610	2.7
127.03924	5.2
128.06183	3.0
129.07027	11.5
131.08586	27.2
133.06467	6.7
133.10153	19.5
135.08061	40.7
135.11676	9.4
137.05986	2.6
137.09561	2.3
141.06937	1.6
143.08569	13.4
145.06494	3.0
145.10138	18.4
147.08057	6.2
147.11682	9.3
149.09653	12.1
149.13232	7.6
151.11165	2.8
155.08447	2.0
157.10110	9.1
159.08028	5.1
159.11696	12.2
161.09656	8.2
161.13223	2.6
163.11174	7.5
169.10132	4.5
171.07936	2.0
171.11719	7.1
173.04437	5.4
173.09628	3.2
173.13287	4.2
175.11198	5.1
177.12756	4.0
183.11760	3.2
185.13300	2.5
187.11159	4.1
189.12796	3.6
195.11942	1.8
195.13840	2.5
197.13300	2.1
199.14861	3.2
201.12762	2.6
212.95570	1.9
217.15855	12.8
219.13820	1.9
221.15512	1.7
227.12772	2.2
233.15395	3.5
237.16504	2.6
239.18010	2.3
245.19096	2.8
247.20720	2.0
253.14267	1.8
255.17419	4.1
257.19064	4.8
269.17447	10.5
273.18509	41.7
275.20078	20.4
279.15909	2.5
291.19556	100.0
309.20746	2.6
347.22153	11.9
349.23898	17.3
365.23257	24.6
413.21594	6.8
519.32947	3.0
529.35529	2.1
541.35242	10.4
543.35931	2.1
559.36353	35.4
581.38190	2.5
621.41760	12.2
639.42712	29.0
657.43396	3.5
685.38928	2.7
703.40485	10.7
766.01605	1.8
783.45532	2.3
801.47241	2.9
819.48883	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	819.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	26.3
57.07073	4.1
61.02937	2.7
63.76484	1.6
65.03942	7.4
67.05511	100.0
69.03423	8.7
69.07072	27.3
70.87375	3.0
70.87686	2.3
71.04989	7.2
73.02902	1.8
79.05499	78.4
81.03424	23.3
81.07063	78.1
83.04980	19.8
83.08636	13.1
85.02910	8.6
85.06551	7.4
91.05486	93.0
91.47543	1.7
93.07050	73.1
95.04369	3.0
95.04978	56.7
95.08612	48.4
97.02903	9.6
97.06552	17.1
97.10165	11.1
99.04471	3.7
103.05499	5.3
105.04524	5.0
105.07039	84.4
107.04964	44.7
107.08609	41.2
108.05785	2.2
109.02911	3.6
109.06527	39.6
109.10176	20.1
111.04459	6.1
111.08092	5.5
112.05239	4.2
113.06030	14.8
115.05466	7.6
116.06208	2.3
117.07025	37.0
119.04966	5.2
119.08591	49.8
121.06528	17.1
121.10145	24.3
122.07301	7.5
123.04442	6.0
123.08109	11.4
123.11750	6.4
125.09633	10.8
127.03942	3.8
128.06212	6.6
129.04495	1.7
129.05499	3.5
129.07024	26.5
130.07800	2.5
131.05022	1.9
131.08575	44.6
133.06509	18.6
133.10141	36.3
135.08063	26.3
135.11694	16.6
137.09618	5.2
141.07008	10.2
142.07791	3.3
143.08574	20.9
145.06497	10.5
145.10138	29.2
147.04434	2.4
147.08058	22.6
147.11682	24.6
149.09584	10.4
149.13268	9.4
151.07460	2.2
151.11201	7.0
154.07835	3.0
155.08565	7.4
157.10146	17.4
159.08075	8.0
159.11705	24.8
161.09636	16.0
161.13290	16.0
162.10315	1.9
163.07513	2.1
163.11177	9.5
165.09117	4.5
165.12697	2.2
167.08594	2.5
169.10103	9.3
171.08061	2.3
171.11676	15.8
173.04477	3.2
173.13237	10.5
175.11156	9.1
175.14847	5.2
177.12776	7.7
179.08633	2.0
179.14359	3.5
181.10161	2.2
183.11690	5.9
185.13243	11.2
187.11182	6.6
187.14844	5.9
189.11285	4.3
189.12752	4.4
195.11801	4.4
195.13786	4.2
197.13283	5.7
199.11328	2.1
199.14832	5.2
203.14406	2.9
205.15863	2.2
211.11244	2.0
211.14880	2.7
213.12842	1.8
213.16467	2.6
215.14397	3.8
215.17831	2.1
217.15930	6.8
223.13326	3.1
227.12816	3.4
229.19467	2.8
233.15433	7.3
239.17957	2.8
241.19545	9.5
247.20618	2.1
251.16505	2.0
253.14357	2.2
255.17575	2.9
257.19055	7.2
259.20575	16.9
267.15860	2.1
271.16925	1.8
273.18463	24.0
275.20074	29.2
279.15915	9.3
281.10565	1.8
289.18079	2.9
290.18829	7.3
291.19543	50.1
297.21826	2.4
307.19037	3.5
313.21686	3.7
315.23184	5.4
333.24246	33.4
335.18716	3.7
347.22214	7.6
349.23773	18.0
365.23230	18.3
381.22723	20.7
468.25125	1.9
541.34967	5.3
559.36066	8.8
581.38422	3.5
583.39856	2.7
584.81879	2.0
593.38214	5.2
605.41553	5.2
621.41626	9.8
623.42621	7.8
639.42627	69.5
640.42932	2.5
657.43463	17.0
801.48059	2.1
837.48328	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	813.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.5
61.02927	5.8
67.05516	9.3
69.03416	3.4
73.02923	4.4
79.05497	5.3
81.07060	6.6
85.02911	6.0
91.03946	4.3
91.05499	4.6
92.84642	1.8
93.07061	6.7
95.08614	6.9
97.02911	6.4
98.20732	4.9
105.07039	3.7
107.08630	2.5
109.10182	2.0
115.07059	2.1
118.81570	1.7
119.08560	1.9
121.10157	2.1
127.03970	2.4
131.08562	3.4
133.10220	1.8
135.11746	1.9
168.96861	2.2
243.08441	3.6
461.49753	1.9
519.29004	8.5
535.28931	4.2
636.50653	1.8
813.51215	100.0
814.51459	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	819.489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	19.8
57.07069	5.9
59.04982	4.8
67.05177	7.2
67.05506	100.0
69.03431	27.2
69.07067	57.4
71.04987	10.1
71.52991	5.4
79.05501	77.3
81.02969	7.3
81.03416	61.1
81.07061	92.4
83.04966	18.3
83.08617	18.9
85.02892	20.3
85.06527	5.9
91.05488	97.2
93.07049	63.2
95.01324	6.4
95.04970	34.4
95.08608	61.8
97.02885	29.0
97.06525	49.5
97.10160	32.2
99.04447	5.4
99.08042	4.1
103.05444	5.9
105.07031	96.7
107.04946	26.9
107.08586	44.7
109.02882	9.2
109.06493	12.5
109.10172	40.7
111.04412	6.2
111.08092	5.1
115.05453	6.7
117.07027	37.5
119.08580	62.3
121.06525	8.8
121.10143	26.4
123.04404	7.0
123.08057	12.5
125.09632	27.7
127.03909	13.6
129.06996	22.2
131.08556	45.0
133.10149	40.6
135.08032	10.3
135.11726	20.8
137.09610	6.9
139.07607	5.2
141.06924	5.9
143.08582	19.3
145.06477	7.3
145.10149	28.6
147.08063	10.4
147.11723	31.6
149.09598	18.6
155.08575	7.3
157.10109	11.7
159.11697	28.3
161.09608	8.6
161.13293	8.6
163.11168	19.1
167.08591	5.8
169.10121	15.0
171.11705	13.6
173.04475	12.1
173.13274	9.8
175.14873	4.8
179.14314	8.7
181.10001	7.3
183.11682	12.8
185.13188	7.5
187.11115	8.2
189.11276	6.2
193.12221	10.1
195.08093	5.7
195.11615	5.2
197.09647	5.3
197.13274	5.8
209.11632	6.4
209.13309	7.8
211.13234	9.4
213.16364	5.0
223.13145	8.0
227.12764	16.1
229.14348	14.4
241.19534	6.3
257.18875	6.6
259.20624	5.5
267.15906	19.9
273.18597	13.3
275.20056	81.4
279.15967	10.7
291.19550	31.5
293.21307	6.6
313.21579	7.3
333.24048	6.4
347.22171	9.0
349.23889	32.9
365.23288	14.4
441.71597	4.6
452.37283	4.6
504.14142	4.5
527.94336	4.4
541.35089	49.6
559.36237	9.9
621.41455	18.6
639.42523	68.8
657.43304	7.1
703.40759	9.0
810.96063	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	811.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.8
59.04995	1.2
61.02932	4.6
65.03922	0.6
65.09253	0.5
67.05513	5.6
69.03439	3.0
69.07067	2.5
71.04997	2.1
71.53780	0.6
73.02916	3.6
73.70774	0.5
79.05502	6.2
81.03419	5.0
81.07063	6.6
83.04975	1.6
83.08608	1.4
85.02918	5.3
86.09715	0.9
87.04494	0.8
91.03968	2.8
91.05488	5.9
93.07062	5.7
95.04960	2.5
95.08621	2.9
97.02892	4.2
97.06557	1.2
97.10178	0.7
99.04484	1.2
101.02396	2.0
103.03971	0.6
103.05481	0.5
105.07034	5.4
107.04975	1.4
107.08601	2.4
109.02930	0.7
109.06522	1.3
109.10178	1.2
111.08084	1.2
117.07008	1.1
119.08597	2.3
121.06586	0.9
121.10178	2.0
123.04471	0.9
124.99988	1.0
127.03965	2.2
129.07028	1.4
131.08594	2.3
133.10147	1.8
135.11687	1.0
137.06036	1.2
137.13051	0.5
141.39325	0.6
143.08519	0.8
145.10107	0.6
147.08133	0.5
147.11713	3.1
149.09645	1.5
157.10165	1.0
161.13319	0.5
171.11682	0.9
173.04532	0.7
184.07372	4.1
185.07825	0.5
190.09578	0.5
193.12303	1.7
203.05315	0.6
207.13802	1.1
224.22415	0.5
225.14824	0.8
243.08415	3.2
267.16016	0.8
281.17566	1.4
283.15179	4.3
333.20505	2.2
339.17966	1.6
389.23392	0.6
413.17874	0.8
439.19504	0.7
453.21146	0.8
487.30627	1.9
501.23035	13.9
541.26471	0.6
551.28412	7.1
573.25250	0.8
713.36475	0.9
721.38306	1.7
735.96271	0.7
811.44476	100.0
812.45282	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	809.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.7
59.04995	0.8
61.02940	4.4
65.03963	0.7
67.05518	7.5
69.03452	3.3
69.04552	0.6
69.07074	2.5
69.34344	0.7
71.04244	1.2
71.04585	0.6
71.05003	1.8
73.02933	3.9
79.05499	5.0
81.03423	6.1
81.07063	7.4
82.07399	0.9
83.04996	1.1
83.08652	1.7
85.02899	5.7
85.06552	1.0
86.09683	0.7
87.04498	0.8
91.03981	2.2
91.05484	7.3
92.05865	0.7
93.07054	4.8
95.05003	2.8
95.08599	5.1
97.02898	3.9
97.06522	1.0
99.04494	1.3
101.02409	2.3
105.07040	4.2
107.04983	1.4
107.08611	2.8
109.02898	1.1
109.06557	1.6
109.10182	2.4
110.27634	0.6
111.08073	1.0
115.03939	0.7
117.07037	1.1
119.08619	2.9
121.06554	0.7
121.10161	2.8
123.08063	1.2
125.09630	0.9
127.03896	1.2
129.07025	1.4
131.08617	1.9
133.10149	4.2
143.08600	0.8
145.10191	1.0
147.11720	1.9
149.09702	1.6
157.10124	1.1
175.11217	1.1
184.07401	2.8
193.12373	2.4
195.13895	0.9
203.75615	0.7
225.14758	0.7
243.08421	4.6
267.16013	0.8
268.16336	0.9
276.20694	0.8
283.15265	2.2
289.82504	0.7
313.17889	1.0
331.19012	1.8
339.18005	0.9
369.20508	0.7
451.19550	1.8
469.20529	0.9
501.23074	14.0
501.30353	1.0
531.25879	2.7
549.26727	2.4
573.25201	2.1
639.29614	3.3
711.36066	1.7
756.24268	0.7
781.01617	0.6
791.42010	6.6
809.42908	100.0
810.42938	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	809.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.5
59.05013	0.7
61.02934	4.3
67.05508	7.6
69.03439	4.1
69.07076	3.4
70.06607	0.7
71.01370	1.0
71.05003	2.0
71.53796	0.8
73.02910	3.4
77.16820	0.5
79.05493	5.4
81.03412	5.4
81.07065	6.0
83.04989	1.5
83.08637	1.8
85.02905	4.1
86.09713	1.1
87.04465	0.7
91.03967	2.5
91.05499	4.3
93.07055	4.7
93.50414	0.6
95.04968	1.6
95.08611	2.4
97.02892	4.4
97.06529	1.3
97.10186	1.7
99.04501	0.9
101.02399	1.6
105.07033	3.4
107.04989	0.6
107.08618	2.4
109.02908	1.0
109.10182	2.3
109.59226	0.5
111.04463	0.7
111.08149	0.9
117.07091	0.6
119.08603	2.3
121.10201	2.1
125.09679	0.8
127.03957	1.4
129.07054	1.1
130.77191	0.5
131.08612	1.6
133.06145	1.1
133.10124	1.7
135.08142	0.5
135.11731	1.0
137.09596	0.6
145.10146	1.1
147.11746	2.4
148.94403	0.5
149.09666	2.0
151.11183	0.6
157.10170	1.6
159.11694	0.6
163.11150	0.8
175.11209	0.9
184.07443	1.2
185.04333	1.0
189.11320	0.7
193.12334	1.6
203.05437	0.7
213.14879	0.7
223.13379	1.1
227.12790	0.6
243.08424	4.1
259.08017	0.6
261.22287	0.5
267.16165	0.5
269.17407	0.6
275.20126	0.6
276.29181	0.6
283.15170	2.9
291.19620	1.4
304.14514	0.6
304.80045	0.7
308.48947	0.5
331.18924	1.2
339.17917	1.1
385.81644	0.6
451.19714	0.7
469.20630	0.7
501.23117	14.8
501.30386	0.8
549.26764	7.3
771.86255	0.6
809.42963	100.0
810.43127	3.6
814.79016	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	11.4
57.07082	5.1
61.02900	1.8
65.03933	5.9
66.16814	1.7
67.05511	100.0
69.03424	3.1
69.07079	28.5
69.30359	12.1
71.04974	5.1
71.08598	1.9
79.05499	82.0
81.03414	3.2
81.07063	88.6
83.04967	2.7
83.08621	12.2
85.02887	2.4
85.06525	3.4
91.05489	76.0
93.07053	89.0
95.04968	7.1
95.08614	63.8
97.06529	5.1
97.10163	5.6
99.08110	3.0
101.92344	1.7
103.85886	1.5
105.04556	1.7
105.07045	76.1
107.08602	52.6
109.06525	4.2
109.10155	25.9
111.08079	3.6
111.83988	1.7
115.05437	3.1
117.06358	1.9
117.07040	24.7
119.08593	63.5
121.10154	39.8
123.08034	3.0
123.11700	7.9
128.06245	3.1
129.07013	14.8
131.08583	36.5
133.10144	54.8
135.08038	3.2
135.11703	28.4
139.11223	2.1
141.06967	2.4
143.08553	12.7
145.10139	25.6
147.11700	45.6
149.09561	2.7
149.13252	15.6
151.11241	2.2
156.09442	2.1
157.10136	11.4
159.11710	33.5
161.09689	2.2
161.13266	27.2
163.14812	4.5
169.10147	4.1
171.11691	14.0
173.13257	15.4
175.11263	2.0
175.14856	11.9
177.12680	3.2
179.14424	2.7
183.11713	3.7
185.13301	11.9
187.14804	7.9
189.16321	3.4
191.14276	3.1
195.11594	1.8
197.13310	3.3
199.14828	4.6
201.16391	2.5
205.28835	1.8
213.16420	3.3
215.17990	2.3
217.04256	1.8
217.15820	2.1
227.17873	2.0
231.21059	7.2
239.17935	3.9
241.19527	27.7
243.21063	5.6
255.17308	2.1
257.18924	10.0
259.20593	65.2
261.22086	10.3
282.68671	1.8
315.23114	4.9
331.22675	4.0
333.24261	53.9
335.25827	77.4
336.26285	1.9
337.27335	5.0
519.41748	6.6
537.43060	3.2
593.45837	12.2
599.85443	2.0
611.46759	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	806.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.3
57.07047	0.8
61.02896	0.4
63.32048	0.3
65.03897	1.4
67.05508	31.5
67.05837	1.2
69.03404	0.5
69.07071	13.8
69.07416	0.5
71.04948	1.1
71.24573	0.9
73.06538	0.4
79.05495	20.2
81.03427	2.5
81.07060	32.3
83.04985	3.0
83.08617	4.3
85.06492	1.6
91.05484	25.2
93.07047	23.9
95.01331	3.1
95.04974	3.3
95.08608	24.2
97.06530	10.2
97.10122	1.4
99.08019	0.8
101.06046	0.4
103.05414	0.7
105.07034	32.3
107.04324	0.4
107.04958	5.9
107.08598	11.6
109.02825	0.5
109.06551	2.0
109.09486	0.6
109.10162	7.4
111.04400	0.5
111.08044	1.1
113.09617	0.5
117.07014	6.3
119.08583	17.3
121.06450	1.4
121.10142	8.9
123.04416	0.9
123.08025	1.5
123.11695	2.4
125.09584	0.7
129.06955	1.1
131.08582	9.8
133.10130	18.1
135.07991	1.1
135.11685	5.3
137.09575	1.0
139.07468	0.5
141.06955	0.7
143.08481	1.4
144.09308	0.5
145.06465	1.0
145.09090	0.4
145.10129	7.8
147.08037	0.5
147.11684	6.5
149.09616	2.2
149.13251	2.4
155.08565	0.5
157.10075	1.4
159.11673	4.3
161.13240	2.3
163.11160	1.2
165.09091	0.6
169.10046	1.0
171.11630	1.1
173.13226	2.0
175.14827	0.7
177.12715	1.3
179.14319	5.0
183.11604	0.9
185.13145	0.5
187.11118	1.0
195.13750	0.4
197.13297	0.6
219.17494	0.8
229.19499	0.7
239.17978	0.4
257.19058	1.8
261.22128	1.0
275.20068	26.7
289.76501	0.4
293.21078	1.5
335.25806	56.4
336.26117	1.1
349.23746	13.9
435.97986	0.4
497.31009	0.4
609.45142	100.0
610.45526	3.3
627.46368	1.3
642.49835	0.4
806.51019	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	806.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	19.4
57.07092	2.8
61.02912	1.7
65.03933	2.7
67.05509	68.2
67.33948	1.3
68.30424	1.6
69.03442	9.1
69.03754	2.0
69.07072	32.6
69.17450	2.9
69.17856	12.6
71.01384	1.7
71.04996	11.5
79.05498	64.0
81.03424	100.0
81.07065	71.2
83.04977	16.1
83.08625	34.1
85.02913	5.8
85.06545	5.2
91.05485	63.9
93.07051	54.3
95.04974	39.0
95.08609	31.0
96.00483	1.6
97.02895	7.8
97.06541	15.7
97.10186	25.4
98.20782	2.9
99.04420	2.4
99.08088	3.5
103.05441	2.0
105.07034	48.2
107.04960	18.5
107.07877	2.3
107.08598	42.0
109.02890	1.9
109.06533	8.2
109.10168	22.6
111.04446	4.1
111.08100	12.9
115.05472	4.3
117.07024	18.2
119.04962	2.6
119.08587	39.1
121.06500	12.4
121.10139	26.7
123.04481	2.4
123.08066	5.9
123.11734	5.0
125.09648	16.8
127.03968	2.2
129.07014	16.3
131.04907	2.2
131.08575	29.3
133.06499	6.3
133.10138	27.6
135.08081	8.6
135.11714	12.8
137.05988	2.1
137.09627	4.9
141.07005	4.4
142.07779	3.9
143.08618	8.4
145.06543	4.1
145.10120	16.6
147.08063	5.6
147.11699	19.3
149.09628	16.2
149.13271	7.1
151.11185	5.5
153.09154	2.6
155.08583	2.8
156.09326	1.8
157.10139	17.5
159.08093	3.0
159.11673	13.3
161.09563	2.5
161.13251	3.3
163.11224	11.2
165.12772	2.8
167.10741	1.7
169.10162	5.8
171.10260	2.2
171.11751	5.1
173.04459	1.9
173.09636	4.7
173.11795	2.3
173.13274	4.2
175.11201	11.8
177.12762	4.3
179.14328	2.1
181.10120	2.3
181.12221	1.7
183.11743	5.2
185.09592	1.6
185.13261	4.3
187.11188	2.8
187.14812	2.1
189.11198	9.7
189.12764	3.4
193.12256	29.2
195.11781	2.4
195.13837	3.1
197.13391	2.7
199.14844	2.6
201.12859	2.1
205.12320	2.3
209.11652	1.8
211.13284	3.9
217.15909	2.2
225.14774	2.0
227.12787	17.9
229.14351	6.7
235.13487	2.2
239.17998	2.5
249.14865	5.0
253.14391	2.7
255.15901	11.0
257.18936	4.2
267.15927	83.5
269.17523	17.7
273.18515	2.3
275.20102	22.6
283.15518	1.7
291.19485	7.3
293.20987	3.5
297.18680	1.7
297.22144	2.0
299.19885	2.1
301.14120	2.3
317.21057	1.8
322.20218	1.6
331.22809	2.4
349.23792	23.5
355.22794	2.3
365.23184	2.4
367.24731	4.4
369.24316	5.0
387.25220	2.7
390.31619	1.9
403.24698	1.7
419.24387	2.8
421.25681	6.3
429.26303	2.0
431.29340	2.1
435.27213	3.3
437.25381	4.6
443.27875	9.0
447.27469	33.6
449.30481	3.2
459.27304	4.6
461.29007	76.5
462.29376	2.0
467.31497	5.0
477.28058	3.1
493.31714	12.6
501.31979	2.0
519.33344	1.9
523.34589	3.4
529.35065	1.8
541.35266	74.7
542.34985	2.3
559.28412	2.5
559.36340	29.1
569.30579	2.0
573.37598	2.5
583.36292	1.9
591.38770	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	806.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05859	1.4
57.03185	2.2
57.03441	26.9
57.07078	3.9
59.05001	5.1
59.05941	1.4
59.38927	1.3
61.02917	4.4
65.03937	4.7
67.05507	100.0
68.05843	3.6
69.03433	12.3
69.06726	2.4
69.07071	32.5
71.01377	2.0
71.04996	16.3
71.08639	1.4
73.02928	2.8
77.03925	1.5
79.05495	78.2
80.05843	2.1
81.03422	93.4
81.07060	95.0
82.07394	2.8
82.93868	1.3
83.04983	17.8
83.08144	2.2
83.08624	30.1
85.02911	7.8
85.06553	7.4
87.04472	4.5
91.03970	1.9
91.05484	81.0
92.05791	3.3
93.07047	75.3
94.07372	1.8
95.04970	38.2
95.08610	45.1
97.02907	7.3
97.06541	14.7
97.10176	15.3
98.20711	3.0
99.04480	2.6
99.08096	4.5
103.05481	1.7
105.04516	2.7
105.07035	69.6
106.07362	1.8
107.04961	14.6
107.08596	41.9
108.08917	1.6
109.06501	12.2
109.10167	33.5
110.10483	1.9
111.04431	3.7
111.08104	10.0
113.09681	1.8
115.05466	4.3
116.06264	1.9
117.07010	29.2
119.04880	1.4
119.08588	50.5
121.06492	9.3
121.10147	33.6
123.08051	8.6
123.11708	5.8
125.09631	15.3
127.03875	4.1
128.06216	5.4
129.05486	3.6
129.07013	21.9
131.08574	40.2
132.08936	1.7
133.06480	7.0
133.09117	2.6
133.10138	39.3
134.10429	3.0
135.08067	7.1
135.11707	14.7
137.09618	8.2
139.11154	2.4
141.06982	6.6
142.07809	6.7
143.08565	13.2
143.10684	2.0
145.05060	1.4
145.06479	3.9
145.10120	26.3
147.08058	7.4
147.11688	27.1
149.09630	18.3
149.13275	9.6
150.09943	1.7
151.11177	6.0
153.09154	2.8
155.01727	1.4
155.08551	7.3
157.10146	24.1
158.10431	1.5
159.08087	3.4
159.11688	19.6
161.09608	5.2
161.13260	13.0
163.11194	8.1
165.12744	3.4
167.08589	2.4
168.09335	1.8
169.10135	7.7
171.11719	13.3
173.04509	1.8
173.09604	3.2
173.11777	4.9
173.13289	9.8
175.11188	11.1
175.14793	2.8
177.12752	3.6
179.14339	3.4
181.10101	4.8
183.11702	8.1
185.09682	1.8
185.13245	9.6
187.11180	1.6
187.14838	4.3
189.11218	9.3
189.12671	2.9
193.10359	2.5
193.12253	27.0
195.11705	4.1
195.13794	3.1
197.13280	6.5
199.11348	1.5
199.13222	1.9
199.14848	6.1
201.12830	3.7
207.11769	3.0
209.13318	3.8
211.13173	7.6
211.15050	2.0
213.12878	2.3
213.16484	2.2
217.15921	4.2
221.13338	2.8
221.15393	2.0
225.14787	3.3
227.12755	15.0
229.14252	11.5
233.15460	1.8
241.19414	5.8
247.17131	1.6
247.20322	1.4
249.14842	4.6
253.14427	4.6
254.14755	3.2
257.19055	4.4
259.20587	11.5
267.15912	66.0
268.16315	3.8
269.17462	14.7
273.18680	2.7
275.20065	17.3
283.20599	2.8
285.17172	1.4
291.19644	4.6
293.21213	9.6
295.20416	1.6
297.22220	3.4
299.23703	2.1
301.21555	2.3
313.21762	1.7
315.23392	1.9
321.21991	2.1
323.23685	1.7
331.22751	1.5
333.24515	7.2
334.24799	1.9
347.22385	1.6
349.23816	10.1
351.23212	4.6
366.23453	1.7
367.24710	3.0
369.24246	5.0
387.25217	2.9
403.24619	1.9
405.26627	3.2
407.24377	1.8
411.27298	1.5
417.26422	1.9
421.25787	11.7
431.28354	1.8
433.30957	5.0
435.27591	3.7
437.28854	2.7
439.26965	3.1
443.27893	6.5
447.27264	3.9
449.29932	2.4
451.32013	6.3
455.29849	2.2
461.28989	36.1
463.26700	1.5
465.27725	2.7
467.31458	3.4
469.33179	3.4
473.29044	2.8
475.30630	2.0
493.31601	9.2
499.34067	2.4
501.32361	2.2
507.34787	3.4
516.37817	2.1
517.35071	4.5
525.35767	31.6
526.35968	1.5
541.35309	13.2
543.36829	63.3
544.36884	3.0
557.39087	6.9
558.35236	2.3
559.35950	15.8
575.39636	10.4
576.39819	1.6
608.43463	2.5
626.44415	4.1
705.41333	1.5
801.07654	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	805.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	21.5
57.07068	2.4
65.03940	6.9
67.05510	79.8
69.03432	2.3
69.07069	15.0
71.04991	2.4
71.53809	1.3
76.56777	1.0
77.03882	1.1
79.05498	47.2
81.03438	5.1
81.07063	53.3
83.04967	3.9
83.08623	7.0
85.06554	14.1
89.18720	0.8
91.04903	1.4
91.05485	37.2
93.07049	45.3
95.04976	62.5
95.08612	34.8
97.06528	6.3
97.10159	2.5
105.04514	1.5
105.07035	27.6
107.04979	9.7
107.08598	28.5
109.06526	59.4
109.10168	12.9
111.08057	3.7
113.05235	1.9
113.06013	29.1
113.87502	1.0
115.05446	2.2
116.06194	1.3
117.07017	15.0
119.08596	14.1
121.06514	6.8
121.10149	15.8
123.08080	4.5
123.11707	3.5
128.06213	2.5
129.07008	7.0
131.08578	22.2
133.06465	3.3
133.10138	13.6
135.08063	45.3
135.11693	9.7
137.05983	1.3
137.09621	2.9
141.06996	1.9
143.08585	7.9
145.06505	1.3
145.10123	13.9
147.08026	8.1
147.11708	6.8
149.09648	5.9
149.13240	5.1
151.11218	1.2
155.08545	1.8
157.10161	7.4
159.08046	2.9
159.11719	8.0
161.09641	7.2
161.13257	2.8
163.11209	3.0
163.14827	1.1
165.09152	0.9
169.10143	2.3
171.11674	3.8
173.13211	4.6
175.11151	2.6
175.14900	1.3
177.12758	2.8
183.11725	1.7
185.09624	2.0
185.13196	2.8
187.11179	2.0
187.14819	0.9
189.16335	1.3
195.13683	1.8
197.13191	1.0
199.14796	4.2
201.12766	1.8
217.15900	11.9
227.17905	1.7
233.15453	1.8
243.20970	1.2
245.19012	1.6
255.17447	3.7
261.22171	1.3
273.18509	35.4
275.20206	2.4
279.16098	1.3
291.19550	100.0
292.19931	1.9
309.20493	3.3
335.25809	96.1
336.26025	1.4
347.22229	9.9
365.23190	17.7
567.40082	3.4
607.43585	16.9
625.44659	85.6
626.45044	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	805.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	20.0
57.07073	1.7
58.05659	0.6
62.76995	0.7
65.03952	4.7
67.05509	60.7
69.03413	2.6
69.06720	1.0
69.07067	9.7
71.04987	2.6
71.13647	1.2
76.62317	0.7
77.03927	0.8
77.94909	0.6
79.05497	32.1
81.03404	2.7
81.07060	40.1
83.04967	2.8
83.08617	5.4
85.06546	12.6
89.06009	0.9
91.05485	30.0
93.07047	34.3
95.04974	51.7
95.08608	24.0
96.05294	0.9
97.06531	4.8
97.10166	2.4
103.05463	1.2
105.04449	1.2
105.07034	22.3
107.04958	9.1
107.08603	22.0
109.06525	54.6
109.10164	8.8
111.08070	3.1
113.05239	1.6
113.06010	27.7
115.05449	2.0
116.06227	1.0
117.07034	11.1
117.12445	0.6
119.04961	1.1
119.08588	11.5
121.06485	4.5
121.10154	11.2
123.08054	3.2
123.11708	1.7
128.06183	1.7
129.07013	6.8
131.08574	18.9
133.06516	2.2
133.10144	9.4
135.08064	45.2
135.11681	7.8
137.05965	1.1
137.09613	1.3
141.06989	1.3
143.08562	7.5
145.06482	1.8
145.10120	11.5
147.08061	4.5
147.11662	4.0
149.09605	4.9
149.13231	2.8
151.11182	1.1
157.10132	5.7
159.08075	3.1
159.11702	6.8
161.09627	7.9
161.13251	1.8
163.07556	0.9
163.11157	2.4
169.10052	1.1
171.11694	3.1
173.09598	1.1
173.13266	3.1
175.11183	2.1
177.12759	2.7
183.11687	2.3
184.07336	0.9
185.13274	2.0
187.11253	1.8
187.14740	1.2
189.12621	1.0
189.16394	1.4
191.10561	0.8
195.11674	1.3
195.13763	1.6
199.14821	3.1
201.12733	1.8
217.15871	11.0
219.13829	1.2
227.17924	1.7
237.16316	1.6
245.19017	1.2
255.17473	2.0
261.22113	0.8
265.64154	0.8
273.18503	33.1
274.18820	0.7
275.20197	1.4
291.19550	100.0
292.19791	1.6
309.20483	2.3
326.93655	0.7
335.25812	48.6
336.26144	1.8
347.22253	8.8
365.23288	14.9
567.40393	3.3
607.43518	12.1
625.44678	66.6
626.44617	3.3
689.96478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	8.2
59.04992	0.8
65.03953	1.4
67.05511	27.3
67.05878	1.4
69.03429	7.5
69.07075	20.1
69.26381	5.8
71.04990	3.6
71.59467	0.7
73.02891	0.8
73.92484	0.6
79.05499	25.2
81.03423	60.0
81.07066	21.2
83.04991	6.1
83.08629	16.9
85.02914	1.7
85.06562	1.8
91.05486	25.8
93.07057	19.4
95.04973	21.1
95.08615	11.2
97.02899	10.0
97.06554	2.8
97.09557	0.8
97.10173	11.9
103.05499	1.4
105.04592	0.9
105.07036	19.6
107.04963	11.2
107.08602	15.0
109.02881	1.2
109.06518	4.6
109.10162	10.9
111.04444	2.5
111.08089	6.0
115.05466	2.4
117.07018	7.3
118.57507	0.6
119.04945	2.2
119.08591	17.0
121.06495	4.7
121.10152	8.8
123.04433	1.2
123.08070	4.0
123.11729	1.6
125.09636	10.1
128.06270	1.3
129.06995	8.1
131.08586	11.3
133.06544	4.1
133.10133	10.6
134.07234	0.8
135.08051	4.3
135.11719	2.9
137.06009	1.3
137.09644	2.7
141.06973	0.8
142.07857	1.6
143.08553	3.4
145.06493	1.3
145.10130	6.4
147.08058	6.1
147.11699	7.5
149.09602	4.3
149.13322	1.8
151.11218	2.8
153.09196	1.6
154.48523	0.8
155.08601	1.4
157.10152	8.8
159.08086	1.0
159.11679	3.4
161.09682	3.1
163.11235	2.9
165.09198	1.3
165.12770	1.3
169.10179	0.7
169.12273	1.0
171.10324	1.0
171.11726	1.7
173.09686	0.8
173.13274	1.0
175.11183	8.7
177.12822	1.5
183.11636	0.8
185.13281	1.0
189.11252	4.2
189.12793	1.0
191.10603	0.7
193.12245	12.6
195.13689	0.7
201.12891	0.8
205.12256	2.3
211.13354	1.8
217.12318	0.7
219.13776	3.4
223.13281	16.2
227.12781	7.6
231.13788	0.7
243.10815	0.7
245.18990	0.8
247.80157	0.7
249.14919	3.3
253.14273	4.6
263.20084	0.9
267.15939	65.4
268.16422	1.6
271.17004	0.8
273.15359	0.9
273.18500	8.8
285.16968	1.1
287.20114	0.9
291.19559	68.7
292.19934	1.4
309.17160	0.9
313.21741	2.8
347.22253	1.8
351.21103	0.9
365.23254	43.2
367.22726	0.7
371.21872	0.6
385.23923	1.0
419.24170	0.8
435.23547	0.8
437.25769	1.2
445.25693	4.8
459.27588	5.5
463.27042	1.7
465.30142	0.8
477.28348	4.3
483.31024	1.5
539.33722	5.5
557.34778	100.0
558.35162	4.3
575.35828	2.8
599.35767	1.6
698.65527	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	10.5
57.07092	1.2
59.26907	0.9
61.02918	1.0
65.03937	2.0
67.05509	55.2
68.05838	0.8
69.03430	8.0
69.07076	15.1
71.04374	2.5
71.04997	6.7
77.03963	0.9
79.05499	37.7
81.03423	68.4
81.07060	54.2
83.04989	12.1
83.08148	1.2
83.08625	15.5
85.02909	2.8
85.06549	6.9
91.05486	51.7
93.07046	37.0
95.04977	24.6
95.08611	20.4
97.02898	4.3
97.06546	6.0
97.10171	4.4
97.27615	0.9
99.04488	2.4
99.08061	1.3
101.06044	1.0
101.46714	1.0
105.04503	1.2
105.07036	43.0
107.04964	11.0
107.08598	32.3
107.09300	1.8
109.06519	7.6
109.10162	45.9
111.04456	3.0
111.08102	8.8
113.05979	2.6
115.05467	2.7
117.07016	8.9
119.04942	2.0
119.08587	22.0
121.06519	9.0
121.10159	12.6
123.04436	2.4
123.08046	4.8
123.11708	7.9
125.09615	2.6
127.07556	2.0
128.06213	2.1
129.07008	9.3
131.08568	16.3
133.06479	5.9
133.10136	58.1
135.08066	4.9
135.11694	8.6
137.09572	2.0
139.07562	1.6
142.07794	2.7
143.08614	6.4
145.06528	2.1
145.10146	10.8
147.08058	6.8
147.11700	8.9
149.09631	8.5
149.13280	1.8
151.07448	0.9
151.11180	25.9
153.12732	1.3
155.08495	1.5
157.06543	1.2
157.10133	9.8
159.08061	2.6
159.11734	3.0
161.06108	1.1
161.09630	7.4
161.13272	1.3
163.11205	7.1
165.12720	2.2
169.10117	2.3
169.12242	3.7
171.08041	1.7
171.11656	3.5
173.09663	1.9
173.13359	1.3
175.11168	8.4
177.09100	1.3
177.12671	1.1
179.10721	2.7
181.10104	1.4
181.12228	1.7
185.13202	2.5
187.11168	1.9
189.12773	2.4
193.12262	20.0
195.13864	1.2
199.11235	1.2
205.12297	1.6
211.13329	1.2
215.12762	2.0
217.12236	1.5
219.13979	1.7
221.90775	1.1
223.13234	1.5
227.12769	6.4
227.17792	1.7
229.14386	3.6
245.19028	3.7
249.14795	2.0
253.14369	100.0
257.19186	1.4
259.20657	1.5
263.20059	3.0
267.15927	57.1
273.18546	15.3
275.20227	2.3
283.15408	3.5
287.20010	8.6
291.19559	20.4
309.20615	2.6
325.21835	1.1
343.22635	1.9
347.22214	6.5
365.23291	30.9
367.23077	1.1
389.23358	1.8
421.25906	2.5
437.25177	2.8
445.25854	21.2
447.28955	2.5
461.25238	1.4
463.26889	22.6
465.30051	4.0
475.26633	1.2
483.31030	3.4
528.10193	1.2
539.33655	17.7
557.34760	89.3
558.35083	2.9
575.35675	4.3
624.43689	1.6
747.75354	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.2
57.07073	0.4
60.95137	0.4
61.02934	3.4
65.03931	1.0
67.05511	17.0
68.05851	0.5
69.03429	1.9
69.07072	7.2
71.04993	1.9
71.53928	0.6
73.02919	0.9
76.71106	0.4
79.05499	13.6
80.34444	0.4
81.03425	5.3
81.07062	15.4
82.07404	0.6
83.04975	2.1
83.08629	3.8
85.02917	4.3
85.06561	1.3
91.03968	2.0
91.05492	15.5
93.07053	13.3
94.07400	0.4
95.04996	2.5
95.08620	10.3
95.09232	0.5
97.02892	3.1
97.06528	2.7
97.10191	2.5
99.04453	0.7
99.08110	0.6
103.05459	0.7
105.07040	16.1
106.07369	0.5
107.04961	2.5
107.08607	8.1
109.02890	0.5
109.06516	1.8
109.10168	6.4
111.04457	0.5
111.08099	1.1
115.05476	1.1
117.07024	6.7
117.92647	0.4
119.08588	9.4
119.09364	0.7
120.08955	0.5
121.06548	1.9
121.10148	4.8
123.04411	0.5
123.08072	1.7
123.11742	1.0
125.09644	1.7
127.03952	1.2
128.06247	0.6
129.05557	0.4
129.07008	4.5
131.08580	11.2
131.09540	0.8
133.06541	1.2
133.10135	7.3
135.08102	1.6
135.11732	2.6
137.09659	1.5
139.11230	0.5
141.07014	1.2
142.07748	0.7
143.08559	4.5
145.04942	1.2
145.06511	0.7
145.10136	7.2
146.02255	0.4
147.08070	1.7
147.11693	3.0
149.09656	2.4
149.13329	0.9
151.11215	0.8
155.08594	2.7
157.10130	4.3
159.08070	0.8
159.11674	3.7
161.09634	1.1
161.13280	0.7
163.06064	1.4
163.11232	1.7
165.09003	0.5
165.12769	0.4
167.08595	0.9
169.10170	2.3
171.08041	0.6
171.11700	3.1
173.09685	0.7
173.11868	0.5
173.13283	1.6
175.11247	1.0
177.12698	0.5
181.10141	1.3
183.11681	1.5
185.13289	2.5
187.11229	0.5
187.14839	1.1
189.11287	0.4
193.10161	0.5
193.12265	0.9
195.11742	0.7
197.13298	1.5
199.11156	0.4
199.14824	0.7
201.12958	0.4
209.13332	0.8
211.11279	0.4
211.14912	1.3
213.12741	0.5
213.16466	0.9
215.14400	0.6
219.13907	0.5
223.13036	0.5
223.14923	1.2
225.16411	0.6
227.12840	1.2
229.14397	1.6
233.15379	0.9
237.16490	0.6
239.18007	0.4
241.15993	0.5
247.16972	0.9
253.14215	0.6
257.19135	0.5
261.18512	0.8
267.15924	2.9
273.18524	1.1
275.20126	2.7
276.20355	1.1
291.19559	2.1
299.14850	0.7
325.25375	0.5
335.23633	0.5
343.26465	1.3
347.22113	0.6
349.23798	1.6
353.24786	3.1
365.23279	1.4
371.25812	3.6
381.22388	0.4
389.26935	4.1
421.25793	1.2
427.28555	0.7
445.29541	100.0
446.29846	3.4
463.30585	21.6
464.30746	0.5
541.34937	1.0
544.37543	0.4
557.34668	2.0
558.23346	0.4
589.34100	1.0
607.35004	0.9
619.34747	0.4
623.43182	0.5
624.43152	1.4
642.44409	1.2
767.31860	0.5
786.48083	0.5
804.50311	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.3
61.02932	3.8
64.73304	0.4
65.03915	0.8
67.05507	19.2
68.05830	0.4
69.03426	3.0
69.06728	0.6
69.07072	7.5
71.05001	2.4
71.54430	0.7
73.02913	1.3
77.12440	0.4
79.05068	0.8
79.05495	11.8
80.05816	0.7
81.03423	6.1
81.07059	17.3
83.04989	2.2
83.08619	4.5
85.02905	5.0
85.06551	1.2
91.03948	3.1
91.05483	15.4
93.03319	0.4
93.07048	14.6
94.07385	0.6
95.04951	3.4
95.08604	12.0
97.02888	3.2
97.06546	3.2
97.10164	3.3
99.04449	0.7
99.08098	0.7
103.05455	0.8
105.07034	16.6
107.04952	2.9
107.08588	8.6
108.08909	0.6
109.06513	2.5
109.10159	7.6
111.04496	0.6
111.08085	1.8
115.05455	0.9
116.06230	0.6
117.07015	8.5
119.08585	13.1
121.06521	2.3
121.10142	6.1
123.08048	1.0
123.11684	1.2
125.09618	1.5
127.03926	2.0
128.06233	1.1
129.07007	5.1
131.08580	14.2
133.06491	1.3
133.10132	8.6
134.10454	0.8
135.08066	2.4
135.11726	2.6
137.09615	1.4
139.11154	0.7
141.06990	2.0
143.08595	6.1
145.04926	1.0
145.06541	0.9
145.10109	8.4
145.11148	0.7
147.08066	1.8
147.11697	3.0
149.09604	3.1
149.13269	1.0
151.11198	1.5
154.07671	0.6
155.08539	3.2
157.06483	0.7
157.10165	4.4
159.08023	0.8
159.11693	4.0
161.09538	1.0
161.13232	1.4
163.06047	1.4
163.11215	1.7
165.12671	1.0
167.08530	0.9
169.10120	2.8
171.08122	0.6
171.10368	0.5
171.11673	2.7
173.09531	0.9
173.11879	0.7
173.13219	2.2
175.11191	1.4
175.14815	0.5
177.12776	0.6
181.10271	1.2
183.11647	3.0
185.09583	0.7
185.13283	2.4
187.11273	0.7
187.14937	0.8
189.11247	0.8
189.16542	0.6
193.12285	1.7
195.11710	1.2
197.13301	1.9
199.14809	1.4
201.12906	0.6
201.16391	0.7
202.11394	0.5
203.14465	0.8
205.12527	0.5
207.11758	0.5
209.13277	1.1
211.14871	1.3
213.16432	0.7
215.14333	1.1
217.15955	0.5
223.14917	1.1
225.16422	1.4
227.12758	1.3
227.14627	0.7
227.17906	0.5
229.14320	1.8
233.15363	1.0
241.15930	0.9
247.16945	0.7
253.14375	1.1
259.16959	0.7
261.18619	0.5
267.15872	3.8
273.18469	1.6
275.20169	3.6
276.20450	1.4
291.19553	1.9
325.25336	1.4
335.23636	1.4
343.26361	1.7
349.23804	1.6
350.24164	1.0
353.24634	3.8
365.23151	1.7
371.25906	3.4
389.26819	3.6
421.25952	1.7
427.28510	1.1
445.29507	100.0
446.29813	2.7
463.30524	21.9
464.31226	0.6
506.81439	0.5
539.33624	0.6
541.35376	1.3
544.37195	0.9
557.34650	2.7
589.33655	0.8
606.42743	0.6
607.34875	0.8
624.43433	1.3
642.44592	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	9.8
57.07061	2.3
58.26986	1.5
59.04980	3.1
61.02942	3.0
65.03938	4.9
67.05510	69.5
69.03435	17.0
69.07071	37.3
71.04989	5.9
72.59826	1.4
73.02918	2.9
74.05671	1.7
77.03938	1.9
79.05497	57.8
79.06577	1.5
81.03423	32.7
81.07063	89.8
83.04989	15.5
83.08627	18.5
85.02912	9.5
85.06522	2.2
91.05486	79.8
93.07050	63.4
95.01340	5.4
95.04977	21.4
95.08613	45.4
97.02892	11.4
97.06537	44.6
97.10184	9.4
99.04451	4.5
99.08083	4.2
103.05438	4.0
105.07037	86.3
107.04954	24.7
107.08604	37.0
109.02873	6.0
109.06530	10.8
109.10162	20.5
111.04488	2.7
111.08086	5.3
115.05450	3.0
116.06239	2.2
117.07008	25.9
118.89565	1.7
119.08587	49.1
121.06509	4.9
121.10161	20.1
123.04367	3.0
123.08057	8.8
123.11694	6.3
125.09636	7.1
127.03921	7.3
128.06189	2.8
129.05501	3.1
129.07002	10.3
130.07782	2.1
131.08574	35.8
133.06502	4.8
133.10139	49.6
135.08058	10.1
135.11713	12.8
137.09648	6.5
141.06982	5.6
142.07761	2.1
143.08568	12.1
144.09273	1.7
145.06477	3.4
145.10133	27.3
147.08054	4.2
147.11690	24.2
149.09628	17.0
149.13252	8.0
151.11182	6.2
155.08569	7.1
157.10156	9.9
159.08011	2.5
159.11710	23.8
161.09674	3.3
161.13252	6.1
163.11183	9.2
165.09175	2.1
165.12732	3.1
168.12968	1.7
169.10117	7.0
171.11687	8.6
173.04453	10.7
173.09698	1.9
173.11908	1.7
173.13316	9.5
175.11191	4.7
177.12779	6.0
179.14296	9.6
181.10120	2.4
183.11687	6.9
185.13136	4.1
187.11160	4.2
189.11273	2.1
195.11783	3.5
195.13637	2.2
197.13254	6.8
199.11089	1.8
199.14897	2.8
200.98914	1.6
209.13245	3.1
211.14938	2.4
227.12798	9.6
229.14236	2.3
229.19574	3.9
239.18001	3.7
247.20610	5.6
257.19104	15.1
259.20660	2.8
267.15698	2.8
269.17493	5.4
273.18570	3.2
275.20087	100.0
279.15744	2.5
293.21063	7.9
299.19919	2.7
331.22595	4.7
339.22998	1.8
341.24786	1.8
349.23752	56.8
367.24646	2.9
403.67453	2.0
413.21472	7.0
445.29355	2.7
469.33426	2.0
493.27637	2.4
503.33545	6.7
511.28641	2.7
525.21375	1.9
525.35925	3.3
527.36975	3.7
543.36835	38.3
561.37939	2.2
595.43134	3.8
605.41718	4.3
623.33167	3.1
623.42969	43.7
624.44000	2.0
641.44421	12.9
665.43683	3.0
687.41003	20.0
705.41071	2.3
749.45459	3.3
785.47662	7.4
803.48950	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	803.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	9.5
57.07068	3.3
65.03945	3.5
65.81062	3.5
67.05508	46.2
69.03433	10.3
69.06788	3.3
69.07076	40.1
71.04992	5.2
71.54416	4.1
79.05496	47.0
81.03410	25.3
81.07059	75.3
83.04973	10.8
83.08645	8.5
85.02905	8.5
85.06535	3.9
91.05493	65.2
93.07059	44.1
95.01341	5.5
95.04976	16.6
95.08610	39.3
97.02876	7.8
97.06530	45.7
97.10165	7.6
105.07037	74.5
107.04958	21.8
107.08606	24.4
109.06499	4.3
109.10152	13.1
111.04438	3.7
117.07027	18.3
119.08599	37.4
121.06473	5.6
121.10130	6.9
123.04439	4.3
123.08043	7.3
125.09633	5.1
131.08586	30.8
133.10139	44.6
135.08060	8.4
135.11687	10.4
137.09625	5.0
139.07541	4.8
141.06998	5.4
143.08539	6.2
145.06487	3.5
145.10156	20.1
147.11681	12.5
149.09628	12.2
149.13242	5.4
151.11270	3.8
155.08681	3.7
157.10141	6.7
159.11685	11.9
161.13245	4.9
163.11150	7.8
165.12766	3.2
173.04459	5.9
173.09537	4.4
173.13303	5.5
177.12666	4.0
179.14291	11.3
183.11778	3.9
184.07339	9.6
192.09904	3.4
227.12808	4.1
247.20531	3.9
257.19000	11.4
269.17493	6.7
275.20078	100.0
276.20682	3.5
282.24039	3.1
289.18109	3.5
293.21140	9.0
295.19058	3.2
302.77039	3.5
331.22931	4.3
335.25684	6.1
349.19739	5.8
349.23743	60.4
349.98318	3.3
397.58298	4.2
413.21695	7.1
433.23788	3.3
527.36853	6.8
543.36890	48.7
565.38470	4.1
605.41736	4.9
623.43091	41.0
641.44049	8.3
659.66107	3.5
661.49390	3.2
687.40900	20.4
708.76666	3.5
767.46466	4.8
796.08673	3.2
803.50067	4.5
835.58063	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	803.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	21.6
61.02929	6.8
64.90498	2.4
65.03947	8.9
66.77766	2.3
67.05510	87.9
69.03429	22.2
69.07072	46.8
70.98329	5.4
71.04999	9.4
73.02905	4.5
78.27589	2.2
79.05066	4.6
79.05499	70.2
81.03420	34.4
81.06581	5.2
81.07060	100.0
82.76600	2.9
83.05004	20.5
83.08627	20.2
85.02895	19.4
85.06550	7.3
88.01767	2.6
88.38406	3.0
91.05486	75.0
93.07050	76.5
95.04983	19.0
95.08611	59.0
96.36906	2.4
97.02902	16.6
97.06540	25.8
97.10194	9.3
97.44813	2.4
98.07899	2.9
99.04456	6.5
99.08099	6.1
105.07040	78.9
107.04966	18.7
107.08604	50.1
109.02909	9.8
109.06522	9.1
109.10162	37.1
111.04514	2.9
111.08116	7.6
115.05458	4.9
117.07020	31.4
119.08596	51.4
121.06522	8.7
121.10152	29.8
123.08060	12.2
123.11726	8.1
125.09641	7.7
127.03938	8.3
127.07561	3.2
128.06212	7.0
129.05489	6.0
129.07004	21.6
131.08585	44.3
133.06503	7.3
133.10143	56.1
135.08070	14.4
135.11693	19.0
137.09630	6.5
141.06995	9.4
142.07838	3.2
143.08578	25.4
145.06488	4.8
145.10132	35.4
147.08084	8.9
147.11716	25.5
149.09654	16.9
149.13255	8.0
151.11186	9.1
155.08537	10.3
157.10146	22.5
159.11671	22.6
161.09642	8.6
161.13271	11.9
163.11189	9.6
165.09148	2.8
165.12724	2.6
167.08557	6.4
169.10126	16.7
169.12262	3.3
171.08054	3.1
171.11673	19.6
173.04521	6.9
173.09627	5.3
173.13297	15.9
175.11247	4.4
175.14879	4.7
177.12770	5.4
179.10603	3.3
179.14313	3.2
181.10107	7.1
183.08105	2.9
183.10309	3.4
183.11627	15.8
185.09702	4.6
185.13268	11.5
187.11270	4.0
187.14832	7.5
189.11281	3.8
195.11726	8.3
197.13277	8.8
199.11249	5.1
199.14810	9.5
201.12828	4.7
207.11751	4.8
209.13333	4.5
211.14876	5.9
213.16464	3.9
217.15974	3.6
221.13301	4.5
223.14966	4.3
227.12808	3.4
227.17903	2.8
229.14354	4.0
237.16473	3.5
239.17993	3.3
241.19481	5.0
253.14438	8.3
257.19016	9.9
259.20535	9.2
269.17557	7.3
273.18484	8.6
275.20081	36.2
285.22220	3.2
289.18027	5.7
291.19653	14.6
293.21027	4.9
296.18176	3.1
299.20142	3.5
301.21664	2.6
313.21902	2.7
315.22986	3.7
317.21082	2.8
333.24255	10.1
335.26135	4.1
349.23849	21.4
365.23328	8.8
409.31250	4.1
433.31186	3.4
451.32330	4.7
455.31525	2.9
483.34299	4.0
487.34210	17.8
501.35690	11.5
511.34177	6.4
513.35822	6.2
515.37299	2.9
525.35492	9.7
527.37231	3.5
529.35010	6.2
531.38110	3.7
543.36993	28.9
549.39215	3.6
561.37903	4.7
595.43176	3.4
605.41669	12.0
623.43115	52.3
641.44153	30.1
687.40729	6.9
731.44946	3.8
749.45526	5.1
767.47052	5.0
785.47833	9.2
803.48541	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	803.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	15.1
57.07063	6.6
61.02923	5.1
64.22972	2.1
65.03953	5.6
66.77308	2.0
67.05508	100.0
69.03442	22.5
69.07070	45.0
69.56084	14.2
71.01348	2.9
71.04998	10.5
73.02892	3.1
79.05499	76.8
79.62424	1.9
79.63841	2.2
81.02986	2.9
81.03426	41.1
81.07062	99.7
83.04992	20.3
83.08617	22.1
85.02899	14.9
85.06530	6.3
91.03926	3.0
91.05488	74.7
93.06480	4.1
93.07049	70.8
95.01325	3.6
95.04984	18.7
95.08613	60.1
97.02913	17.6
97.06534	40.8
97.10160	14.9
99.04447	6.0
103.05438	3.7
105.07036	75.4
107.04382	2.4
107.04973	23.4
107.08599	46.3
109.02863	7.1
109.06524	16.5
109.10158	36.0
111.04372	4.9
111.08080	9.3
115.05446	4.7
117.07027	32.8
119.08580	56.0
121.06496	9.6
121.10137	27.2
123.08105	10.5
123.11702	4.7
125.09623	9.7
127.03926	11.8
128.06206	5.8
129.05498	2.8
129.07005	16.3
131.08586	38.5
133.06465	6.1
133.10129	41.6
135.08072	10.6
135.11699	13.9
137.06026	3.0
137.09598	8.5
141.06967	5.9
142.07797	3.6
143.08534	17.1
145.06480	5.2
145.10120	28.4
147.04346	2.8
147.08017	5.0
147.11707	32.7
149.09616	24.1
149.13223	12.0
151.11180	4.7
155.08574	10.1
157.06500	2.4
157.08960	2.1
157.10104	15.0
159.08049	6.1
159.11705	21.5
161.09595	6.4
161.13249	10.7
163.11183	11.9
165.09077	2.9
167.08554	3.9
169.10147	10.8
171.11713	12.9
173.04507	10.7
173.09525	2.7
173.11783	5.1
173.13268	15.1
175.11159	6.6
175.14822	4.1
177.12762	9.7
179.08617	2.2
179.14255	4.8
181.10086	4.1
183.11700	10.1
185.09685	2.1
185.13264	4.8
187.11206	5.6
187.14871	3.3
189.11198	6.1
193.10291	2.7
195.11807	3.8
195.13763	2.9
197.13229	9.2
199.11263	2.5
199.14864	5.9
201.12909	3.2
203.14279	2.2
209.13174	3.7
211.14622	3.0
213.12843	2.2
215.17975	2.4
219.17406	4.2
221.13324	3.6
225.16299	2.3
227.12651	12.5
229.12279	3.1
229.14349	8.3
229.19467	3.7
233.15410	2.8
239.17943	6.0
247.20628	4.9
257.19064	16.2
259.20520	5.2
269.17361	9.7
273.18524	3.6
275.20084	86.8
276.20590	2.6
291.19617	3.0
293.21170	9.9
299.19925	3.6
323.20145	2.0
331.22614	3.9
349.19772	4.1
349.23752	56.9
365.22183	2.3
367.24969	2.3
413.21857	2.6
487.33542	2.6
503.33618	5.6
511.34619	3.2
519.32794	3.2
525.35663	4.3
527.37390	4.2
529.34912	4.0
533.34650	2.5
543.36896	26.7
595.43237	2.9
605.41656	9.2
623.43005	51.8
641.44287	30.3
687.40906	7.5
749.46686	3.0
767.46796	5.0
785.47479	7.7
803.50140	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	803.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	18.2
57.07088	3.9
61.02922	5.7
65.03926	3.9
67.05510	87.1
69.03440	21.5
69.07072	40.0
69.28578	9.7
69.29002	15.3
71.04993	11.5
79.05497	73.6
81.03424	35.8
81.06580	4.9
81.07059	78.5
83.04999	20.7
83.08621	35.1
85.02905	12.7
85.06542	6.1
91.05490	67.8
93.07049	66.3
94.71519	3.1
95.04980	24.3
95.08613	50.7
97.02886	15.3
97.06557	15.3
97.10178	32.6
99.04430	3.6
99.69767	2.6
103.05442	2.7
105.07041	66.0
107.04975	15.6
107.08601	44.5
109.02885	3.4
109.06544	8.4
109.10164	32.4
111.04471	3.4
111.08068	9.5
113.06022	2.7
115.05463	5.2
117.07035	35.3
119.07797	4.4
119.08597	59.3
121.06525	8.5
121.10157	27.0
123.08066	11.7
123.11711	9.0
125.09649	30.7
127.03945	6.7
128.06230	7.4
129.05478	6.3
129.07005	24.9
130.07776	3.0
131.08583	51.8
133.06442	6.1
133.10132	32.0
135.08083	13.5
135.11690	16.0
137.09581	4.1
141.07002	12.1
142.07790	6.8
143.08580	25.5
145.06552	4.4
145.10126	35.0
147.08034	10.7
147.11702	31.2
149.09621	10.6
149.13258	9.8
151.11107	3.8
153.06958	3.2
153.09123	4.2
154.07788	3.4
155.08591	15.9
157.10162	26.1
159.08127	6.8
159.11719	26.3
161.09604	6.2
161.13315	14.3
163.11171	7.6
165.06979	3.4
167.08562	6.3
169.10127	17.6
171.08093	4.3
171.10312	5.1
171.11697	20.1
173.09622	5.9
173.13152	16.9
175.07512	3.0
175.11133	8.4
175.14859	7.2
179.08531	3.9
181.10188	7.4
183.11707	17.1
185.13248	15.1
187.11185	4.9
187.13248	3.4
187.14822	7.8
189.11215	11.3
189.12721	4.1
191.10786	3.6
193.10364	4.0
193.12247	11.6
195.11700	12.2
195.13463	2.7
197.13231	14.7
199.11229	3.5
199.14801	7.9
201.16338	3.4
205.12131	3.5
207.11673	6.0
209.13272	10.7
211.13211	6.8
211.14920	6.8
213.16553	5.0
215.18033	3.8
221.13336	6.7
223.13165	5.0
223.15030	5.8
225.16388	5.8
227.12762	29.1
235.14923	3.5
237.16544	4.5
241.19533	8.4
245.13707	4.5
245.18956	3.4
257.19083	6.4
259.20624	22.2
267.15787	14.6
268.16431	3.9
271.20490	4.2
273.18558	12.3
273.21924	2.9
275.20129	16.1
285.22006	4.1
289.17914	4.5
291.19592	51.6
299.23346	3.6
301.21582	4.9
315.23004	3.0
325.21582	3.2
333.24417	17.5
335.25745	6.0
336.26309	3.2
339.22861	4.4
347.22488	3.2
349.24115	3.9
365.23242	19.4
367.22507	6.2
379.29874	3.8
393.91348	3.1
429.20520	2.9
433.30951	3.0
451.32043	3.8
511.33527	4.4
513.36285	6.2
525.35828	22.0
529.34827	8.3
531.38135	5.3
543.37067	36.8
546.38812	5.0
549.39197	3.9
605.42212	22.2
623.43048	100.0
641.44293	32.4
651.39294	3.3
687.40948	8.5
749.45959	8.9
785.47998	11.3
803.49243	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	803.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	23.7
57.07078	2.5
61.02935	6.1
65.03941	7.0
67.05509	77.3
69.03442	5.7
69.06721	1.7
69.07071	20.4
70.97449	1.3
70.97762	1.7
71.04998	5.5
71.08638	1.0
73.02933	2.3
79.05499	55.8
81.03423	10.6
81.07060	56.1
83.04983	6.2
83.08625	9.7
85.02906	4.2
85.06548	13.2
91.03983	1.6
91.05488	61.8
93.07050	56.4
95.01352	2.3
95.04975	60.0
95.08614	38.8
95.09113	0.6
95.09241	1.2
97.02893	4.7
97.06532	10.5
97.10165	5.6
99.04469	2.3
99.08110	2.0
103.05470	2.7
105.04542	2.4
105.07040	55.7
107.04959	18.1
107.08603	34.0
109.06525	64.6
109.10170	13.7
111.08091	4.1
113.06019	36.9
115.05465	4.0
117.07029	27.4
119.04946	3.0
119.08591	36.7
119.52531	1.2
121.06532	5.8
121.10155	16.2
123.08083	10.2
123.11696	3.0
124.89796	0.9
125.09624	2.8
128.06242	5.6
129.05501	1.6
129.07016	15.9
130.07755	1.7
131.04948	1.1
131.07590	2.1
131.08582	42.8
133.06482	4.5
133.09120	1.3
133.10141	31.3
135.08067	45.6
135.11697	16.2
137.06068	2.0
137.09607	1.9
138.63493	1.0
139.68712	0.9
141.06995	5.5
141.09048	1.1
142.07747	3.3
143.08572	18.8
144.09334	1.3
145.06496	5.8
145.09055	1.8
145.10138	28.0
147.08020	6.2
147.11703	17.7
147.48753	0.9
149.09627	6.4
149.13257	7.5
151.11198	1.9
153.09189	1.0
154.07726	1.5
155.08539	7.0
156.09299	1.2
157.06436	1.2
157.10136	16.0
159.08055	4.6
159.11691	23.2
161.09642	9.1
161.13245	12.0
163.11169	4.6
163.14806	1.9
164.13148	1.0
165.12729	1.9
167.08557	1.6
169.10144	7.9
171.11722	12.0
173.09604	1.5
173.13275	11.6
175.11185	4.3
175.14848	3.5
177.12784	6.4
179.14317	2.7
180.09158	1.3
181.10129	3.6
183.11719	6.6
185.09636	1.7
185.13231	7.9
187.11198	7.1
187.14790	3.9
189.12785	3.4
189.16394	1.3
193.10184	2.0
195.11739	3.9
195.13818	3.4
197.13254	4.4
199.11218	2.2
199.14838	5.5
201.12788	2.6
201.16377	2.8
203.14247	1.6
203.17967	1.5
209.13298	2.8
211.11174	1.4
211.14825	3.0
213.16379	3.2
215.18005	1.5
217.15897	15.1
219.13959	1.5
221.13416	2.1
221.15445	1.6
223.13078	1.2
223.14951	1.3
225.16438	1.6
227.17934	1.7
229.19540	1.2
231.21150	2.4
233.15353	1.6
237.16472	1.8
239.18059	2.2
241.14276	1.8
241.19585	8.3
243.21124	1.5
245.18990	2.0
255.17432	3.6
257.19025	5.3
259.20599	16.8
260.21207	1.2
261.18622	1.2
271.17010	1.8
271.20596	1.0
273.18518	26.1
275.20123	7.0
277.21716	1.1
279.15970	15.8
283.20554	1.1
291.19571	69.7
292.19897	1.1
295.19113	1.1
297.16940	2.9
309.20523	1.1
313.21738	1.7
315.23175	7.0
325.25204	1.5
327.26566	5.6
331.22681	1.8
333.24240	39.4
347.22095	8.5
349.23904	3.4
365.23260	20.8
365.27676	0.8
503.38837	1.3
513.36548	3.5
525.35321	1.2
531.38208	3.0
543.36987	5.7
549.39380	4.0
551.37323	1.7
565.38861	3.3
567.40320	1.4
595.44061	1.9
605.42084	17.1
623.43097	100.0
624.43115	3.2
641.44171	28.0
656.88281	1.2
713.44641	1.1
732.86127	1.4
785.48334	1.3
803.48596	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.5
61.02926	5.3
67.05513	4.8
69.03440	3.5
69.07081	1.2
71.53010	0.9
71.53402	1.0
72.08160	1.0
72.08958	0.8
73.02918	4.9
74.09728	1.4
79.05485	4.5
81.03435	1.3
81.07069	7.3
85.02919	4.6
86.83311	0.7
91.03981	2.9
91.05497	3.0
93.07064	4.3
95.08607	4.1
97.02896	5.6
101.02402	2.0
105.07040	1.8
107.08626	1.8
109.10136	1.4
119.08626	1.3
121.10178	2.4
127.03922	1.2
131.08598	1.0
135.11755	1.4
150.57321	1.0
161.06332	0.7
189.01234	0.8
232.45441	0.7
243.08539	1.7
258.35846	0.7
315.11832	0.8
335.26001	1.0
519.29395	11.2
589.62665	0.9
760.08569	0.8
773.27734	0.9
797.51794	100.0
798.52173	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	801.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95415	0.1
57.03437	0.5
59.03011	0.1
67.01878	0.1
67.16219	0.1
69.03417	0.2
69.59326	0.5
69.59750	0.2
71.01340	0.1
71.04997	3.2
73.02908	0.1
75.04477	0.2
81.03465	0.1
83.04977	0.3
85.02910	4.5
87.04498	0.1
95.01321	0.3
96.05653	0.2
97.02896	0.3
98.21527	0.1
103.03979	0.1
105.03390	0.3
105.54004	0.1
105.69470	0.1
111.00858	0.1
111.04424	0.2
122.03645	0.3
127.03902	0.2
129.05486	0.7
133.02863	3.5
137.05988	1.0
141.01846	0.9
145.04941	0.3
147.06564	0.2
150.03159	0.8
153.01837	11.8
159.03033	0.2
165.05479	4.7
167.03406	0.4
171.02943	0.2
179.03413	0.6
203.03346	0.1
204.04132	0.1
205.04984	0.1
232.03709	0.8
233.04398	0.2
274.04800	1.4
275.05130	0.1
276.72421	0.1
285.04016	0.3
297.07803	0.1
302.04230	19.1
303.04736	0.3
317.06567	100.0
318.06934	1.5
359.07568	0.3
415.16501	0.1
447.58459	0.1
479.11780	1.7
593.31720	0.1
655.15082	10.5
656.15369	0.4
801.20215	0.4
801.38879	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	801.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.5
57.03730	0.1
61.37783	0.1
67.01884	0.1
68.91167	0.1
69.03423	0.3
71.04993	2.5
71.52648	0.1
75.04463	0.2
80.78930	0.1
83.04977	0.2
85.02910	3.6
85.95305	0.1
87.04462	0.2
95.01346	0.2
97.02889	0.4
99.50874	0.1
111.04449	0.1
113.02383	0.2
127.03892	0.1
127.78369	0.1
129.05521	0.7
131.05106	0.1
141.01849	0.7
141.02757	0.1
145.04959	0.2
150.03131	3.2
150.77536	0.1
152.00832	0.1
153.01833	9.0
154.02119	0.1
159.02954	0.2
165.05489	2.4
167.03436	0.5
167.07057	0.1
171.02882	0.2
203.03412	0.2
217.05040	0.2
229.04926	0.2
232.03543	0.1
245.04500	0.1
256.03860	0.1
274.04703	0.5
285.03864	0.7
299.05798	0.1
301.03433	0.5
301.07132	0.6
302.04224	26.7
303.04523	0.5
315.05026	0.4
317.06567	100.0
318.06952	1.8
331.08206	1.4
359.07632	0.3
463.11835	0.1
479.11856	1.5
493.13690	0.2
655.15094	10.5
656.15576	0.3
801.20404	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	3.1
57.07074	2.4
58.77340	1.7
61.02916	6.5
67.05511	19.0
69.03422	6.6
69.07075	13.0
71.04990	2.2
73.02913	5.5
79.05501	9.1
81.03413	4.1
81.07060	37.6
83.04960	2.1
83.08619	6.2
85.02909	40.5
91.03960	5.0
91.05476	6.4
93.07047	28.8
95.01333	29.1
95.08614	67.6
97.02898	15.5
97.10164	3.5
99.00781	3.0
99.08096	2.3
101.02380	2.6
103.03938	5.6
105.07039	23.7
107.08597	38.7
109.10161	48.6
111.08082	12.3
113.02370	4.5
117.07026	4.0
119.07806	2.8
119.08594	36.3
121.10142	37.4
123.11705	18.3
125.09652	2.9
127.03957	11.0
127.04730	2.0
129.07091	1.9
131.03409	2.3
131.08549	8.7
133.10149	33.1
135.11719	28.0
137.13239	5.3
139.11177	6.3
141.01840	85.4
143.08566	3.5
145.04945	13.0
145.10121	16.8
147.11699	23.0
149.13268	20.9
151.11238	3.0
151.14915	2.0
155.03386	2.0
157.10124	4.2
159.02899	16.0
159.11731	15.3
161.13293	27.0
163.06044	5.7
163.11180	3.2
163.14865	22.4
165.12744	3.0
171.11702	2.4
173.13289	9.2
175.14856	19.7
177.03897	2.2
177.12712	2.5
177.16383	17.2
184.07390	2.0
185.13223	3.6
187.14867	13.3
189.16426	16.8
191.17992	9.7
193.15933	4.8
195.17444	6.6
199.14862	2.8
201.16432	16.4
203.16075	2.3
203.17973	33.5
205.15878	5.5
205.19528	3.4
207.17448	9.4
213.16351	4.1
214.21883	1.9
215.17943	14.4
217.19537	20.1
219.17412	12.5
221.19037	11.2
227.17953	7.1
229.19551	19.2
231.17221	2.7
231.21141	2.4
233.19006	10.3
239.18060	2.7
241.19559	3.9
243.21132	3.4
245.19151	4.3
245.22496	2.1
247.20634	11.3
255.21063	5.1
257.22714	6.1
261.22171	3.9
269.22656	4.5
271.24228	4.0
273.22141	3.1
275.23615	2.4
297.25803	3.5
301.25278	3.6
315.26929	4.7
329.28275	2.8
365.32230	4.8
381.95947	2.0
383.33029	7.7
389.59857	2.3
405.35294	13.1
411.36188	5.6
423.36234	100.0
441.37302	77.0
581.38184	5.9
599.39496	16.1
797.42242	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	794.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90155	1.0
56.34092	1.1
57.03418	1.0
57.07083	6.5
58.06601	1.9
60.08161	1.5
65.03941	5.8
67.05506	3.3
68.05042	1.1
69.03427	1.4
69.07072	1.1
70.06596	24.4
71.08622	5.1
71.53855	1.2
72.08142	1.2
74.06109	1.0
77.17524	1.0
81.07072	2.1
86.09707	8.7
88.07094	1.8
88.07635	32.7
91.05482	1.7
93.07048	2.0
95.04993	1.0
97.02899	1.6
102.09182	22.3
107.05042	1.1
119.08595	1.3
121.02910	2.6
121.10169	1.7
125.00005	4.6
128.68271	1.1
139.03917	1.9
147.04436	2.3
149.02365	94.5
149.03470	8.8
175.03973	2.8
177.05527	2.8
184.07361	21.4
191.07089	1.6
193.04980	53.3
193.63617	1.0
200.20113	71.1
219.06628	1.5
237.07564	9.2
244.22617	1.5
297.04095	1.6
341.06592	3.6
343.07932	1.2
351.16144	1.1
359.07654	2.6
385.09128	7.5
429.11685	2.1
432.55762	1.0
470.32639	1.0
546.06244	1.2
577.13562	8.7
621.15930	12.8
776.32898	2.0
782.33191	1.2
794.33691	100.0
795.33765	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	794.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33408	0.6
57.03443	3.7
57.07067	1.5
65.03938	3.0
67.05510	33.3
69.07072	15.6
71.04977	1.7
71.08633	0.9
71.53513	0.8
71.53886	0.7
79.05495	15.1
80.23258	0.6
81.03408	0.9
81.07062	35.9
83.04978	1.0
83.08622	11.4
85.06541	1.7
87.04460	0.8
91.05489	17.6
93.07049	18.2
95.08615	34.4
96.21929	0.6
97.06537	4.1
97.10172	6.6
98.55398	0.6
105.07028	6.5
107.08600	11.3
109.06538	0.8
109.10158	15.1
111.08088	2.8
111.11755	1.6
113.09606	0.9
117.07047	1.6
119.04947	20.5
119.08573	5.7
121.10164	13.2
123.08076	1.4
123.11722	5.3
125.09639	1.3
126.68658	0.6
131.08559	3.9
133.10133	8.2
133.80173	0.7
135.11708	10.2
135.47069	0.5
137.09575	1.6
137.13264	1.4
139.11238	1.0
145.10129	2.6
147.04420	100.0
147.11737	3.2
149.13255	2.6
151.11194	2.2
153.12744	1.0
159.11751	2.1
161.13330	1.1
165.05481	2.1
165.12750	1.0
170.81396	0.7
173.13266	1.0
175.14745	0.8
184.07317	0.7
215.18033	2.9
217.19513	1.4
233.19112	2.7
235.20552	1.6
247.98209	0.6
251.20058	2.9
307.22684	9.0
309.24255	16.2
325.23749	27.3
327.25281	11.8
342.77484	0.7
343.24927	1.2
345.26385	1.1
386.16855	0.9
453.26617	0.7
471.27322	1.8
473.29190	3.5
473.35471	0.7
485.39828	1.1
489.28629	3.6
541.42438	1.4
559.43634	17.7
560.44177	1.0
577.44635	33.7
578.44623	1.2
595.45532	2.6
705.47339	1.3
723.48328	12.2
741.49597	5.8
759.50366	1.7
794.42303	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	792.5618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
55.05516	16.2
57.03203	0.7
57.03445	9.9
57.07063	1.9
59.11284	0.6
61.02906	2.6
65.03930	2.2
67.05508	63.5
69.03426	1.0
69.06730	0.8
69.07072	14.6
70.64912	1.0
71.04980	2.4
71.08624	0.7
74.09698	1.4
77.03896	1.0
79.05498	38.9
81.03408	0.8
81.07059	59.7
82.07355	0.6
83.04981	2.0
83.08618	7.5
85.02911	3.2
85.06535	1.7
89.73318	0.6
91.03957	0.9
91.05486	23.8
93.07047	46.1
95.04955	3.0
95.08610	46.1
97.02885	1.3
97.06554	3.1
97.10168	3.3
97.81695	0.5
99.08080	1.2
105.04507	1.0
105.07034	19.0
107.08601	24.2
109.06523	1.3
109.10165	21.9
111.08078	1.1
111.11685	0.6
114.72769	0.5
117.07025	6.8
119.08583	15.3
121.10146	22.0
123.08075	1.3
123.11725	8.6
129.07004	2.0
131.08578	11.3
133.10127	14.2
133.85674	0.6
135.11696	15.0
137.09602	1.3
137.13286	3.4
143.08600	1.4
145.09056	0.8
145.10136	10.0
147.11681	8.3
149.09537	0.7
149.13264	8.6
151.11214	0.6
151.14787	0.8
157.10095	1.8
159.11699	8.8
161.13281	6.8
163.11166	0.8
163.14810	3.7
171.11705	1.8
173.13266	6.6
175.14784	3.3
177.16391	1.6
179.14320	0.5
183.11670	0.7
185.13264	2.4
187.14835	3.7
189.16335	1.3
191.14334	1.0
199.14882	1.0
201.16373	2.2
215.17981	1.4
231.21126	1.1
241.19629	3.0
243.21150	5.1
259.20605	8.9
261.22159	18.1
263.23706	1.6
279.23428	0.9
287.23706	0.6
299.23740	0.8
317.24918	3.5
333.24207	6.5
335.25806	100.0
336.26041	1.6
337.27359	9.2
349.97256	0.6
461.37430	0.6
521.43372	2.6
563.25568	0.6
595.38458	1.1
595.47278	14.0
596.47028	0.8
613.48248	12.8
614.48578	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	11.1
55.05516	42.9
56.07526	3.6
57.03444	20.9
57.03677	3.6
61.02937	6.7
65.03929	5.6
66.60193	4.3
67.05508	83.2
69.03430	13.0
69.07078	39.6
69.23417	21.8
69.23846	19.5
71.04990	7.1
73.02935	8.2
76.47515	3.9
79.05492	73.0
81.03422	100.0
81.07065	90.4
83.04980	18.1
83.08620	49.5
85.02911	9.0
85.06547	8.4
86.09701	12.8
86.88982	4.3
91.05479	74.9
93.07039	73.0
95.04975	44.3
95.08608	30.6
97.02879	7.8
97.06551	21.7
97.10170	25.5
103.05447	5.0
105.07040	60.4
106.47369	4.4
107.04958	17.6
107.08604	48.9
109.06528	14.4
109.10152	29.9
111.08102	12.5
113.36483	5.2
116.76797	4.3
117.07027	22.6
119.05003	4.2
119.08595	51.6
121.06517	13.4
121.10130	28.4
123.04510	5.0
123.08101	10.0
123.11662	5.0
124.99943	8.5
125.09650	20.2
129.07016	20.7
131.08591	41.6
133.06531	7.4
133.10135	33.4
135.08029	7.6
135.11720	17.9
137.09608	7.8
139.11168	4.6
141.07010	5.5
143.08571	13.5
145.06480	5.8
145.09029	4.1
145.10059	24.0
147.08072	10.2
147.11714	24.7
149.09569	20.8
149.13249	10.0
151.11188	5.2
155.08594	6.4
157.10106	21.1
159.11694	17.8
163.11188	11.7
169.10188	6.0
171.11731	6.8
173.04485	5.6
173.09483	5.0
175.11160	11.5
184.07361	65.0
185.13243	4.5
189.11227	11.9
193.12244	28.4
199.14847	5.7
227.12773	23.5
229.14272	5.3
243.42931	4.6
253.14078	5.0
255.16054	12.8
257.19040	8.4
267.15942	97.4
269.17484	36.7
275.20108	31.4
285.16815	4.7
304.11938	5.1
349.23740	26.9
366.13080	4.8
367.24774	9.6
421.25684	7.1
443.27997	8.6
447.27396	38.9
449.30551	5.4
459.27078	6.5
461.22513	6.4
461.29041	94.7
479.29968	19.0
503.29959	6.8
532.87604	4.9
541.35242	75.0
559.36133	35.4
577.36963	10.6
769.36749	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	790.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.6
55.05515	24.4
57.03443	9.6
57.07077	2.4
59.04990	1.9
61.02943	1.9
63.15264	0.8
65.03938	3.2
67.05511	51.4
69.03429	5.6
69.07073	19.0
70.88266	2.3
71.01337	0.9
71.04998	11.9
73.02926	1.8
73.06544	1.0
77.03903	1.2
79.05499	46.8
81.03423	37.1
81.07062	51.0
83.04990	7.3
83.08624	15.3
85.02919	4.4
85.06538	5.1
91.03956	1.2
91.05489	49.9
92.71912	0.8
93.07050	48.1
95.04977	18.0
95.08614	28.8
97.02898	3.7
97.06543	6.9
97.10175	10.1
99.08111	4.1
103.05499	1.2
104.62504	0.8
105.04525	2.0
105.07038	41.0
107.04971	5.7
107.08602	27.7
109.06566	5.7
109.10162	14.6
111.04474	1.0
111.08059	4.6
111.22823	0.8
113.09686	1.1
115.05467	3.0
117.07037	15.6
119.08592	30.2
121.06509	4.0
121.10154	21.5
122.73489	0.8
123.08074	5.6
123.11707	5.8
125.05959	0.9
125.09626	8.3
127.03922	1.5
128.06259	2.8
129.05542	1.0
129.07016	11.8
131.08580	23.6
133.06497	3.4
133.10149	24.2
135.08051	4.4
135.11678	10.1
137.09618	3.9
141.06990	3.1
142.07780	2.7
143.08583	8.8
145.06509	2.4
145.10136	20.1
145.11273	1.0
147.08107	2.7
147.11699	19.2
149.09657	6.3
149.13290	6.2
151.11206	3.5
153.09077	1.1
153.12743	1.0
155.08556	5.2
156.09344	1.1
157.10144	13.7
159.08067	1.5
159.11691	14.2
161.09628	2.6
161.13243	7.0
163.11212	3.9
165.12718	1.6
167.08563	2.2
169.10114	5.4
171.08138	0.8
171.11674	10.8
173.09586	2.3
173.11836	1.4
173.13228	8.1
175.11200	4.8
175.14856	2.5
177.12814	2.6
181.10097	2.6
182.55774	0.8
183.11679	5.4
185.09628	1.1
185.13278	6.9
187.11263	2.0
187.13283	1.2
187.14830	3.4
189.11252	3.1
189.12746	1.2
189.16498	1.1
191.10796	1.1
193.12256	5.5
195.11725	3.8
195.13828	2.3
197.13300	4.0
199.11220	1.5
199.14906	4.5
201.12746	1.4
201.16328	1.3
203.14407	1.1
207.11723	1.4
209.13306	2.5
211.14861	2.5
213.16458	1.3
217.15872	1.4
219.17345	0.9
221.13356	1.1
223.14926	2.1
227.12769	10.1
227.14561	0.9
229.14357	3.6
231.13847	1.2
233.15511	1.4
235.17007	1.1
241.19563	4.5
243.15912	0.9
253.14313	1.0
255.16002	1.3
257.19034	1.9
259.20560	13.2
267.15918	17.4
269.17517	4.4
271.20605	1.3
273.18509	2.4
275.20062	6.9
283.15515	1.3
283.20471	1.9
285.17023	1.3
287.20416	1.2
291.19669	3.4
297.22162	1.6
299.20346	1.8
299.23764	4.8
301.16678	2.1
301.20245	4.7
315.23074	1.9
325.21823	1.2
331.22620	1.3
333.21024	0.9
333.24365	8.8
339.23203	1.2
343.22754	1.8
349.23868	4.3
357.24341	1.6
365.23862	1.0
376.52383	1.0
403.24408	1.7
407.24237	2.1
415.29691	2.6
421.25629	7.7
423.27530	2.6
433.30927	7.1
435.27512	6.3
437.29184	4.8
443.27740	1.1
449.29156	3.3
451.31958	9.9
455.36862	0.9
461.29300	2.1
463.30515	3.3
469.32910	4.8
477.28067	1.3
495.32849	4.3
499.34393	2.1
507.34683	5.3
517.35370	11.8
525.35785	48.1
526.36017	2.3
539.36969	1.5
541.35138	1.7
543.36859	100.0
544.37067	3.5
557.38336	9.3
567.36615	1.2
575.39526	18.7
633.38165	1.4
651.38446	1.6
669.39728	1.9
687.41235	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	790.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.1
55.05264	1.6
55.05514	19.0
57.03441	13.1
57.07077	2.2
59.04987	1.9
61.02924	4.9
65.03510	0.7
65.03939	3.1
67.05508	74.5
69.03426	7.0
69.07072	21.9
71.01347	1.2
71.04997	35.7
71.08637	1.3
73.02908	2.4
73.06545	0.9
77.03971	0.9
79.05495	43.9
80.05859	1.1
81.03423	8.4
81.07060	100.0
82.07384	2.0
83.04981	9.9
83.08626	14.7
85.02899	6.3
85.06548	9.5
87.04481	1.4
91.03945	2.3
91.05482	55.4
92.05822	1.4
93.07048	47.7
95.04987	7.5
95.08610	26.8
97.02900	6.2
97.06541	10.5
97.10165	2.7
98.09641	1.2
99.04440	1.1
99.08096	4.0
103.05455	1.3
105.04517	1.2
105.07034	41.5
106.07380	1.3
107.04949	4.2
107.08596	29.6
108.08943	1.1
109.06524	3.5
109.10159	17.8
111.08086	6.1
113.09680	1.0
115.05469	1.6
117.07022	15.2
119.08586	24.3
121.06546	2.9
121.10149	13.3
123.08077	2.8
123.11720	11.9
125.09644	3.4
127.03909	2.5
129.05498	2.0
129.07033	5.5
130.07776	1.3
131.08572	21.1
132.08919	1.0
133.06482	1.2
133.10141	36.7
134.10495	1.5
135.08063	2.7
135.11708	11.8
137.09624	1.9
139.11189	1.8
141.06984	1.2
143.08629	4.9
143.09547	0.9
144.09317	1.0
145.06488	1.0
145.10115	11.5
147.08009	1.4
147.11702	13.9
149.09647	5.8
149.13248	10.5
151.11195	9.9
152.11537	0.9
155.08549	1.4
157.10150	5.8
159.11702	16.5
161.13272	5.8
163.11198	2.7
163.14824	1.1
165.09259	1.0
165.12735	1.0
169.10159	2.9
169.12279	1.2
171.11716	7.2
173.04414	1.2
173.11859	1.7
173.13255	6.0
175.11209	0.9
175.14876	2.0
177.12718	5.6
179.14377	1.9
181.10098	1.1
183.11707	3.3
183.13786	4.8
185.13283	4.5
187.11594	0.7
187.13301	4.6
187.14748	2.0
193.12215	1.3
195.13878	4.9
197.13243	1.9
199.13223	1.1
199.14868	2.2
201.14856	1.8
207.13579	0.8
211.14859	1.8
213.14786	1.1
213.16588	1.1
225.14763	1.6
227.12743	0.8
227.16370	1.2
229.14359	2.6
229.19659	1.3
231.21043	1.0
239.17987	1.2
241.19531	3.1
243.15788	4.1
253.14307	3.9
254.14664	1.8
255.15005	1.0
257.17081	4.8
259.20624	11.2
267.15833	1.3
269.17499	14.4
270.33154	0.9
275.20099	8.4
289.21774	0.8
291.19458	1.3
292.19476	1.0
293.21091	3.3
295.70718	0.8
297.16913	0.9
297.22198	1.0
301.16800	1.0
301.20044	18.7
302.20462	1.0
307.33841	0.8
313.21558	1.0
315.23053	2.0
333.24240	10.0
335.26025	1.7
349.23755	4.6
363.25595	0.9
409.30615	1.1
419.27982	1.2
421.29709	0.9
423.27188	2.6
437.28976	15.0
449.29019	2.7
451.30612	5.5
452.14261	1.0
455.29150	2.1
463.30719	4.0
475.30350	1.8
483.34875	2.3
495.33316	17.4
501.35794	29.2
509.36243	0.9
517.35187	10.1
527.37274	13.1
528.37695	1.1
531.36310	1.1
533.38831	1.9
534.35413	1.6
535.35425	4.2
543.36725	1.9
545.38452	4.3
549.37042	1.1
559.40112	9.8
560.36530	1.2
561.36896	2.5
575.39044	3.0
591.37994	1.2
593.39136	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	790.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.6
55.05267	2.2
55.05516	36.7
57.03443	18.0
57.06818	1.3
57.07079	2.2
57.96275	1.4
59.05005	32.0
61.02914	2.4
65.03925	2.8
67.05509	100.0
69.03429	5.8
69.07071	14.9
70.06558	1.6
71.04999	12.6
71.08644	1.9
71.53706	2.4
73.02924	2.6
79.05496	42.2
81.03422	7.2
81.07063	55.9
83.04990	6.7
83.08643	11.7
85.02924	6.6
85.06542	4.7
87.04475	47.3
89.06058	2.8
91.03958	1.6
91.05481	27.8
93.07050	41.7
95.04971	5.4
95.08619	36.9
97.02887	5.2
97.06554	3.4
97.10186	16.8
99.04457	16.3
99.08096	1.7
105.04504	2.0
105.07043	15.1
107.04965	2.5
107.08602	27.5
109.06551	1.5
109.10165	49.6
111.04436	2.2
111.07341	1.2
111.08047	2.8
117.07056	7.4
119.08582	17.6
121.06515	1.4
121.10148	20.0
123.08135	2.9
123.11701	4.2
125.09624	16.4
127.03940	2.5
129.06935	2.5
131.08586	13.5
133.10165	8.6
135.08055	2.4
135.11693	10.8
137.09604	3.0
137.13283	2.1
143.10640	1.7
145.10139	9.0
147.11688	5.9
149.09651	2.0
149.13261	5.6
153.12764	1.7
155.10655	3.0
157.10159	2.1
159.11700	8.9
161.13254	2.7
163.11191	4.4
163.14819	2.1
171.11641	2.1
173.11751	13.6
173.13255	4.5
187.14835	2.6
189.11229	3.5
191.10680	2.8
193.12228	3.1
199.13283	11.8
209.11801	2.1
217.14368	1.9
227.12779	6.6
229.14365	39.1
235.37593	1.5
241.14330	3.2
243.21056	3.9
259.20609	3.4
261.22195	14.1
267.15921	4.9
275.20016	2.4
277.21582	2.2
283.15375	2.0
289.21790	1.5
315.18051	8.7
317.24603	1.7
333.19089	2.4
335.25827	62.6
336.26099	2.3
363.25250	4.9
381.00427	1.4
459.34946	3.2
477.35916	22.8
489.35849	45.6
543.36511	3.2
561.37701	2.3
575.39337	4.4
593.40204	5.1
609.45593	1.7
610.45154	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	790.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.4
55.05515	33.7
57.03156	1.2
57.03440	23.7
57.07071	3.1
58.70001	1.0
59.05005	32.5
61.02928	5.3
62.91595	1.2
65.03925	4.2
67.05508	100.0
68.05838	1.6
69.03443	5.0
69.07074	20.3
71.04992	11.3
71.08612	1.8
73.02911	2.0
75.15649	1.1
77.03949	1.2
79.05497	47.2
80.05830	1.6
81.03431	9.7
81.07063	59.4
83.04974	6.2
83.08624	14.9
85.02893	8.3
85.06541	3.1
87.04475	53.8
89.06034	3.3
91.03983	1.1
91.05485	28.2
92.05785	1.5
93.07050	41.7
93.07639	2.3
94.07384	2.4
95.04995	6.6
95.08612	44.1
96.08907	1.0
97.02892	4.3
97.06586	4.9
97.10177	16.6
99.04459	14.6
99.08104	2.0
105.04515	1.9
105.07034	16.4
107.04973	4.2
107.08604	24.7
109.02866	1.1
109.06517	2.9
109.10160	56.1
110.10543	1.2
111.04447	2.8
111.08099	3.4
115.03940	1.2
115.05519	1.2
117.07010	7.1
119.08588	17.2
121.06503	2.3
121.10153	21.2
123.04372	1.1
123.08086	2.5
123.11690	5.3
125.05943	1.0
125.09641	13.6
127.03978	2.0
129.07013	3.0
130.07819	1.0
131.08583	14.1
132.08884	1.0
133.10143	10.7
135.08061	1.5
135.11707	12.7
137.09639	2.7
143.10677	1.5
145.10147	10.1
147.11694	9.8
149.09659	2.5
149.13254	6.7
151.11221	1.3
155.08582	1.9
155.10693	3.3
157.10124	2.9
159.11713	6.3
161.13271	4.7
163.11162	5.3
163.14865	2.3
165.12817	1.4
166.36595	1.1
171.11745	1.5
172.26541	1.1
173.04572	1.2
173.11754	16.5
173.13281	3.9
175.14839	2.0
177.12740	1.3
181.12271	1.7
183.11716	2.0
184.07375	2.1
187.14880	2.3
189.11252	2.6
191.10693	2.5
193.12251	2.1
195.11513	1.2
199.13322	8.5
199.14883	1.5
209.11647	1.7
223.13257	1.6
227.12814	6.9
229.14351	39.6
241.14363	5.0
241.19562	1.6
243.21083	3.6
257.13919	3.8
257.18982	1.9
259.20685	1.8
261.22174	12.1
267.15915	6.9
275.20203	2.7
276.20459	2.3
277.21573	1.9
283.15506	2.3
289.21426	2.0
291.19449	1.3
315.18005	6.0
317.24933	3.0
327.23349	1.5
333.24149	1.4
335.25809	62.2
336.26108	3.6
349.23688	1.8
350.24100	1.6
351.25519	1.4
363.25143	2.6
459.35175	2.0
463.31189	1.2
477.35736	18.0
489.35770	50.7
490.35892	1.7
543.36646	2.8
561.37366	1.8
575.40009	1.9
593.40253	1.7
610.45551	5.3
628.45575	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	790.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01638	1.6
55.01875	22.9
55.05512	45.4
57.03443	26.8
57.07067	4.4
59.05010	1.6
61.02919	4.6
65.03941	6.0
67.05508	100.0
69.03429	13.0
69.07073	40.2
69.29591	5.5
69.30006	7.6
70.06602	3.0
71.01345	3.7
71.04996	11.7
73.02907	7.0
77.03924	1.6
79.05499	90.0
80.05841	2.1
80.06287	1.7
81.03426	55.3
81.07061	97.6
81.11825	1.4
82.07361	1.6
83.04986	26.1
83.08146	2.3
83.08617	31.7
85.02902	13.2
85.06548	7.7
86.09702	2.5
87.04465	2.4
91.03928	2.2
91.04902	2.2
91.05486	78.7
93.07048	81.8
95.04379	2.5
95.04968	34.0
95.08613	43.9
96.08900	1.7
97.02895	14.4
97.06533	23.1
97.10181	22.5
98.07312	3.1
99.04458	4.6
99.08093	2.6
103.05505	3.6
105.04531	3.2
105.07034	57.6
107.04963	25.6
107.08600	52.4
109.02866	4.9
109.06523	12.1
109.10152	29.9
111.04449	5.8
111.08099	11.4
113.06018	2.1
115.05444	3.6
116.04672	3.9
116.06253	1.9
116.07066	2.8
117.07030	25.4
119.08588	40.3
121.06490	11.2
121.10152	23.9
123.04430	2.2
123.08064	8.5
123.11701	7.0
124.99965	2.5
125.06052	2.1
125.09630	22.0
127.03915	4.5
127.07569	3.3
128.06227	3.0
129.05490	13.4
129.06993	13.8
130.07773	3.5
131.04974	3.0
131.08568	29.5
133.06503	5.3
133.10138	37.3
135.08063	9.2
135.11700	26.2
137.09578	5.5
139.07521	2.1
141.07014	2.7
142.07819	2.6
143.07011	2.5
143.08574	6.6
145.06427	2.6
145.10124	23.4
147.08063	8.2
147.11697	17.0
149.09625	17.2
149.13297	11.1
151.11186	4.9
153.09116	2.4
153.12738	6.7
155.08566	4.6
157.08603	4.8
157.10107	12.3
159.11688	14.3
161.09618	5.1
161.13257	6.4
163.11183	29.3
165.12720	4.1
169.10107	4.2
171.08064	2.4
171.10130	2.6
171.11685	4.0
173.04503	3.4
173.09663	3.7
173.11742	5.7
173.13277	4.6
175.11227	6.4
177.12775	4.8
179.14264	2.5
181.10591	1.4
181.12219	8.9
183.11668	2.0
184.07405	8.8
185.13226	4.7
187.11183	2.0
189.11163	8.0
191.10654	6.6
191.14432	2.2
193.12259	20.0
195.13812	6.6
197.13260	2.6
199.13228	8.5
203.52284	1.9
209.10022	1.7
209.11664	9.0
211.13243	15.8
211.14787	1.8
219.13760	2.3
227.12752	22.2
229.14340	7.3
239.17995	2.6
243.15839	1.7
249.14902	1.6
253.14342	7.2
255.15839	13.9
257.19064	5.4
259.20529	2.0
261.14822	1.7
265.14352	6.6
267.15912	23.9
269.17484	25.4
273.18451	5.9
275.20044	23.4
283.15393	17.7
285.16983	11.5
291.19583	8.1
293.20932	1.9
299.14926	2.6
301.16492	27.9
309.20712	1.8
329.20862	2.0
331.23001	2.0
333.24207	2.8
349.23840	17.4
365.23276	3.6
367.24655	2.0
409.25751	2.9
411.27545	2.3
419.24127	1.8
421.25900	3.6
423.27322	7.3
447.27408	6.0
453.28421	2.0
461.28775	3.1
463.26907	3.9
465.28329	2.5
477.28458	12.7
481.27896	5.1
483.31262	2.4
495.29459	21.6
539.33069	3.1
541.35315	5.3
557.34668	12.6
559.36145	3.0
575.35571	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	790.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	20.5
55.05512	38.4
57.03188	2.3
57.03439	27.4
57.07067	4.4
59.04993	3.2
61.02925	7.1
62.44057	1.2
65.03937	5.9
67.05507	100.0
69.03431	15.9
69.07070	56.5
69.07391	0.8
69.07459	1.9
70.65023	2.9
71.01370	2.6
71.05000	9.7
71.08665	1.5
73.02911	4.6
79.05498	76.0
81.03422	61.0
81.07059	88.9
82.04208	2.1
83.04980	24.0
83.08143	2.0
83.08622	30.7
85.02424	2.0
85.02910	22.9
85.03400	0.9
85.06542	6.1
87.04454	1.6
91.03974	2.5
91.05483	88.0
93.07045	66.9
94.07848	1.9
95.04964	33.4
95.08609	52.0
96.09882	1.3
97.02891	12.5
97.06530	26.9
97.10172	20.3
98.07325	3.7
98.21442	1.2
99.04459	2.3
99.08109	3.9
103.04005	1.3
103.05517	1.8
105.04546	2.9
105.07031	60.0
107.04955	18.1
107.08601	39.4
109.02872	3.8
109.06532	12.3
109.10157	37.5
109.10908	1.3
111.04437	4.9
111.08086	15.8
113.05967	2.6
113.09641	2.8
115.05444	2.1
115.96861	1.4
116.04712	5.7
117.07022	19.6
119.04991	1.5
119.08586	48.8
121.06500	9.0
121.10151	23.0
123.04473	1.5
123.08067	10.3
123.11697	5.9
125.09641	18.9
127.03899	3.3
128.06210	1.4
129.05513	12.6
129.06993	15.3
130.07784	2.6
131.04948	1.4
131.08572	31.6
133.06468	4.7
133.10132	43.5
135.08061	8.8
135.11699	15.6
137.09634	14.4
139.11212	2.6
141.06920	1.5
142.07805	3.9
143.07048	3.4
143.08566	6.1
145.06413	2.3
145.10121	22.3
147.08110	6.1
147.11699	26.6
149.09627	26.6
149.13243	9.4
151.07663	1.4
151.11177	4.9
153.09148	2.7
153.12740	2.6
155.08563	2.9
155.10684	2.7
157.08603	7.2
157.10127	18.1
159.08086	2.0
159.11703	15.4
161.09630	4.4
161.13245	7.5
163.11185	16.8
165.12794	3.5
169.10110	3.3
171.06616	1.5
171.10170	3.9
171.11725	4.8
173.04510	3.2
173.09659	3.7
173.11737	7.1
173.13321	6.9
175.11191	16.5
175.14827	2.6
177.12741	5.0
179.14354	4.3
181.12221	1.6
183.11664	2.3
185.13179	3.0
187.11279	2.0
189.11229	7.9
189.12735	2.3
191.10669	2.7
193.12234	42.3
195.13788	4.7
197.13330	3.2
199.11450	1.5
199.13321	5.2
200.14091	1.6
203.14197	1.5
205.12242	1.8
209.11772	4.5
211.13297	39.0
223.13217	2.7
227.12787	17.0
229.14337	10.9
235.13203	1.4
239.17932	3.4
243.16025	1.7
245.19240	1.4
247.20560	2.3
249.14737	1.9
253.14436	8.2
253.18019	1.5
255.15892	7.8
257.19022	8.3
259.20569	5.4
265.14221	1.6
267.15887	26.8
269.17532	13.5
273.15189	1.6
273.18472	5.7
275.20065	45.7
283.15268	6.3
285.16937	31.1
291.19461	8.4
293.20947	4.7
299.14932	5.1
301.16476	34.8
321.17218	1.5
321.24261	2.0
331.22726	2.9
333.24228	2.8
349.23724	49.5
365.23129	4.9
367.25015	1.4
381.22672	2.8
383.24515	2.5
393.26199	1.6
421.25629	4.6
423.27478	1.9
439.27005	12.2
447.27554	2.7
463.30261	4.5
464.10065	1.5
471.26056	1.8
477.28601	2.8
479.29675	1.8
481.27869	6.2
495.29568	11.3
539.33911	2.4
541.35327	11.9
557.34680	9.6
559.36359	28.0
575.35718	23.7
577.37195	3.3
593.36591	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	789.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.3
55.05514	12.3
57.03445	5.7
57.07064	2.3
65.03938	2.4
65.80549	0.8
67.05506	38.4
69.03429	1.2
69.07069	21.9
70.32822	0.7
71.04998	1.8
71.17792	1.4
79.05495	27.3
81.03423	4.1
81.07058	44.8
83.04969	4.3
83.08627	5.9
85.06556	1.0
91.05485	35.3
93.07048	31.9
93.07637	1.7
95.01337	5.2
95.04969	6.4
95.08611	28.8
97.06528	16.1
97.10168	2.1
99.08077	1.1
103.05499	0.9
105.04485	0.9
105.07036	44.7
107.04957	8.9
107.08600	16.1
109.06525	3.0
109.10164	9.3
110.85163	0.7
111.04461	0.9
111.08077	1.2
113.09652	1.2
115.05524	1.2
117.07018	9.1
117.30616	0.6
119.08582	22.1
121.06514	0.9
121.10136	9.7
122.63197	0.7
123.04390	0.9
123.08086	1.9
123.11709	2.5
125.09610	0.9
129.06981	1.7
131.08574	13.0
133.10136	24.2
135.08084	2.1
135.11690	5.7
137.09622	1.7
139.07523	1.0
139.49652	0.7
143.08574	2.6
145.06500	1.0
145.10132	8.3
147.08133	0.8
147.11688	8.8
149.09608	2.3
149.13269	3.4
151.11198	1.1
155.08578	1.0
157.10152	1.5
159.08041	1.1
159.11705	6.7
161.13274	3.4
163.11156	2.0
165.09164	1.1
169.10208	1.3
171.11676	1.9
173.13306	2.7
177.12794	1.7
179.14331	8.0
183.11745	1.1
184.07277	0.8
187.11127	1.2
191.28581	0.8
219.17493	3.8
239.18100	0.8
247.20662	1.4
253.01147	0.9
257.19089	3.1
261.22156	0.9
275.20081	44.3
276.20490	0.9
277.21777	0.7
293.21198	3.6
328.64737	0.8
335.25815	58.2
336.26266	1.0
349.23755	18.2
563.39215	2.8
609.45142	100.0
610.45996	3.5
627.45966	1.1
677.48132	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01630	2.2
55.01877	32.3
55.05268	2.9
55.05516	41.9
57.03439	14.7
57.07068	3.1
59.04990	1.9
59.32987	1.4
61.02926	13.7
65.03934	5.6
67.05509	100.0
69.03435	12.8
69.07071	39.4
69.69186	3.0
69.69594	6.6
71.05002	8.1
71.08681	1.6
72.61067	1.5
73.02919	4.0
78.13836	1.8
79.05495	90.7
80.05820	1.9
81.03423	12.0
81.07060	96.3
83.04991	11.7
83.08614	22.4
85.02913	13.9
85.06543	4.7
87.04431	2.2
91.03961	3.2
91.05484	74.6
93.07049	81.9
95.01345	2.3
95.04984	15.8
95.08611	63.8
97.02917	12.6
97.06538	47.8
97.10177	18.7
98.21452	2.9
99.04450	2.4
99.08045	2.7
103.05448	2.3
105.04539	3.2
105.06313	3.4
105.07030	59.9
107.04957	22.4
107.07870	3.1
107.08598	61.7
109.02898	2.4
109.06541	9.5
109.10162	27.5
111.04459	2.1
111.08086	5.4
114.21237	1.3
115.05437	3.6
117.07021	24.0
119.08585	44.3
121.06515	7.4
121.10147	31.7
123.04446	1.9
123.08076	5.0
123.11698	10.8
125.09638	15.1
127.03890	5.9
128.06223	1.8
129.07005	8.3
130.07819	1.4
131.07597	1.7
131.08575	28.8
133.06493	2.7
133.10132	40.9
135.08057	7.9
135.11705	20.3
137.09615	5.0
137.13240	3.3
141.06966	3.2
142.07785	2.2
143.08528	9.5
145.05003	1.6
145.06441	2.5
145.10123	31.3
147.08041	2.3
147.11688	24.7
149.09624	22.4
149.13237	10.9
151.11192	4.4
153.09024	3.1
155.08534	4.8
157.10136	6.8
159.08035	1.7
159.11688	23.0
159.12888	2.3
161.09653	2.2
161.13287	10.6
163.11160	10.0
163.14821	2.9
163.75233	1.5
165.09178	2.6
165.12712	1.7
169.10126	5.7
171.08200	2.3
171.10214	2.8
171.11681	8.1
173.04398	2.0
173.09508	2.1
173.11769	2.9
173.13197	13.5
175.11163	2.2
175.14792	4.3
177.12782	4.0
177.16342	2.0
179.10669	1.5
179.14317	3.9
181.10069	1.5
183.11725	4.1
185.13222	4.0
187.11148	3.3
187.14864	5.5
189.11211	10.8
189.12724	2.4
197.13275	4.2
199.14853	3.4
201.16425	2.8
205.12297	1.5
207.13837	1.5
209.13339	1.9
213.16403	3.3
215.17921	2.3
227.12778	33.0
229.14415	4.4
229.19547	4.8
233.15492	1.7
239.18007	3.0
241.19449	2.3
247.20647	2.9
257.19058	8.5
259.20630	4.7
261.22171	11.5
273.18509	2.1
275.20074	74.4
277.21533	2.3
293.21082	6.9
313.21793	2.1
317.24951	2.5
331.22583	4.0
333.24350	3.3
335.25803	92.2
336.26212	2.8
349.23721	55.8
350.23810	2.0
367.24832	3.3
390.14322	1.4
431.31531	7.1
487.34570	1.9
489.35443	4.0
499.71387	1.4
505.35422	12.2
506.36874	1.6
513.39783	8.6
515.37262	4.5
581.82593	1.9
609.45111	79.8
610.45251	3.2
627.46118	30.5
651.46381	3.2
735.48267	1.7
753.49200	2.3
771.50854	2.4
789.51630	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	788.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.7
55.05272	1.4
55.05516	25.8
57.03442	7.8
57.07066	2.7
59.05000	2.3
61.02921	3.3
65.03938	2.7
67.05510	67.9
68.05830	2.5
69.03136	1.1
69.03436	12.7
69.07076	37.4
69.59431	6.5
71.05000	24.9
73.02904	1.1
73.06557	1.0
75.48363	0.8
79.05501	34.8
80.05824	1.8
81.03436	7.8
81.07064	91.4
82.07409	1.8
83.04984	7.5
83.08624	14.0
85.02910	3.8
85.06543	6.8
91.03928	1.3
91.05489	38.9
92.05801	1.6
93.06477	1.8
93.07052	34.1
94.07375	2.7
95.04978	9.7
95.08061	1.5
95.08619	20.4
96.08128	1.4
97.02903	12.2
97.06545	9.0
97.10183	14.4
98.21481	1.8
99.04426	1.1
99.08092	1.7
105.04572	1.0
105.07039	26.2
106.07368	2.2
107.04968	6.7
107.08607	24.5
108.08931	1.2
109.02869	1.4
109.06506	4.0
109.10162	17.7
111.04430	1.3
111.08113	4.9
115.05455	1.1
117.07025	11.7
118.06506	1.0
119.08600	15.0
121.06516	3.1
121.10152	10.1
123.08081	4.1
123.11726	12.8
125.09642	9.1
127.03921	1.0
128.06215	1.1
129.07037	4.4
131.08572	12.7
133.06480	2.9
133.10144	19.5
135.08058	3.7
135.11685	5.5
137.09613	1.8
143.08560	5.4
145.06470	1.5
145.10139	7.2
147.08046	5.4
147.11708	6.4
149.09615	2.9
149.13268	8.4
151.11195	7.1
157.10127	5.0
159.08078	2.1
159.11696	6.1
161.09653	2.7
161.13258	1.9
162.09126	2.4
163.11201	3.1
169.10150	1.7
169.12199	1.4
171.10301	1.1
171.11697	3.0
173.13293	1.3
175.11221	2.7
177.12756	4.0
183.13847	1.4
185.13226	1.5
187.13304	3.3
189.11263	2.2
189.12834	1.6
193.12306	2.7
195.12048	1.2
195.13788	3.9
197.13268	1.2
205.12311	2.3
207.13864	1.7
223.13307	20.6
225.14713	4.8
227.12793	4.2
229.14322	0.9
230.15376	3.2
243.15994	1.4
245.18910	1.2
249.14856	3.0
253.14383	2.5
257.17340	2.1
267.15781	2.4
269.17490	8.5
273.18509	13.9
275.20087	2.4
281.17761	1.0
282.17694	0.9
291.19553	94.0
292.19186	8.9
301.16830	1.7
301.20148	23.8
302.83994	0.9
311.49637	1.0
333.24112	1.1
335.25964	1.0
347.22263	1.7
349.23871	1.0
365.23242	24.6
427.26642	1.0
435.27557	1.3
453.28131	1.1
461.29175	1.7
510.26883	2.2
511.32877	1.4
514.36096	1.1
515.33636	4.0
533.34784	100.0
534.34802	2.7
541.35339	4.1
547.36267	18.3
559.36316	60.6
560.36609	2.9
573.37592	1.4
577.37488	1.2
591.39001	37.8
592.39227	1.4
608.43884	1.9
623.34546	1.1
626.44922	4.6
654.40625	1.0
788.49243	14.2
790.97961	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	11.0
55.05516	19.9
57.03235	0.9
57.03447	9.5
57.07072	1.7
58.81915	0.8
59.05008	1.3
61.02924	1.8
65.03925	2.5
67.05511	51.7
69.03442	7.1
69.07073	37.0
70.11496	3.4
71.04984	4.7
73.02911	1.9
77.03923	2.5
79.05500	46.2
79.05970	2.3
81.03430	9.8
81.07063	47.6
81.44350	0.9
83.04990	8.4
83.08627	12.9
85.02912	2.8
85.06545	2.6
91.05486	34.3
93.07051	57.2
95.04980	13.5
95.08614	49.9
96.94363	1.0
97.02901	8.0
97.06537	16.1
97.10166	4.2
99.04469	4.2
99.08101	1.0
103.05455	1.9
105.04484	1.7
105.07041	27.1
107.04297	1.4
107.04972	17.3
107.08601	40.7
108.08914	0.9
109.02856	1.4
109.06515	5.5
109.10158	16.7
111.04443	3.4
111.08096	4.1
113.06046	1.4
113.09685	1.1
115.05480	1.6
117.07027	14.5
119.04990	1.1
119.08587	24.0
121.06514	10.0
121.10149	17.4
123.04480	1.1
123.08076	4.6
123.11713	1.1
125.05991	2.7
125.09625	4.3
126.22517	0.9
127.03899	1.4
129.05482	3.3
129.07018	4.9
130.07780	3.4
131.08572	11.6
133.06502	1.5
133.10141	16.7
135.08096	6.1
135.11700	55.3
137.09628	11.2
139.07564	2.2
141.07002	1.0
143.08554	3.6
145.06459	1.4
145.10139	37.7
145.11319	1.8
146.01439	0.9
147.08046	1.8
147.11678	6.9
149.02350	1.5
149.09619	11.1
149.13286	2.2
151.11195	2.7
153.12756	1.5
155.08598	2.2
155.10588	1.1
157.10149	2.5
159.11655	5.0
161.09636	2.6
161.13243	3.6
163.11194	63.9
164.11684	1.1
169.10191	1.8
171.10081	0.8
171.11662	2.2
173.09625	2.3
173.11722	2.7
173.13286	3.7
177.12691	1.7
179.14307	2.6
181.12239	11.6
183.11691	1.8
189.11234	1.5
189.12747	1.4
191.10687	1.1
209.11678	1.2
211.13243	1.6
223.13303	0.9
227.12798	100.0
228.13106	1.2
229.14478	5.2
229.19485	1.6
230.98111	1.0
231.82481	1.0
236.51636	0.9
239.17886	1.9
243.16035	1.1
253.14459	4.5
255.15993	2.5
257.19107	5.7
263.20135	1.2
267.16013	2.2
273.18552	2.7
275.20078	17.5
283.15411	47.5
285.17041	1.2
291.19598	9.5
292.19299	1.4
293.21088	2.1
299.14810	1.2
329.06073	0.9
331.22900	2.0
347.22079	1.7
349.23721	28.3
365.23196	5.7
379.21143	4.2
383.24048	1.5
437.25430	16.6
451.26611	2.8
451.43228	1.0
461.28821	4.1
463.27081	2.0
477.28607	1.6
505.27615	1.3
541.35632	1.4
557.34753	36.7
558.35266	2.3
559.35760	2.1
573.34167	5.1
575.35638	3.5
591.35291	2.2
788.48456	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.3
55.05269	2.5
55.05514	33.3
57.03439	11.9
57.07072	2.6
61.02921	5.5
63.25032	1.1
65.03938	5.7
67.05508	68.8
69.03442	8.3
69.07069	23.1
69.48425	9.4
70.09986	1.4
71.04985	3.7
73.02917	3.2
74.68970	1.3
76.11961	1.3
77.03891	1.4
79.05499	55.9
81.03416	8.5
81.07063	72.7
83.04983	7.3
83.08630	14.6
85.02917	8.2
85.06545	3.6
91.03952	2.7
91.05487	66.8
91.37098	1.2
93.07050	57.3
93.07637	3.0
95.04977	13.3
95.08611	48.8
97.02885	7.8
97.06542	8.1
97.10173	9.1
99.04440	2.1
99.08058	2.0
101.02324	1.7
103.05486	3.1
105.03388	1.3
105.04504	2.7
105.07039	45.4
107.04974	6.3
107.08608	28.9
109.02914	2.2
109.06512	9.3
109.10169	19.3
111.04413	1.7
111.08084	4.5
115.05451	7.1
116.06246	2.6
117.07029	33.9
119.04961	3.7
119.08589	28.4
121.06508	5.5
121.10154	23.0
123.08087	8.0
123.11726	4.9
125.09631	5.3
127.03928	3.2
128.06209	13.0
129.05536	1.6
129.07018	18.0
130.07799	5.5
131.07585	2.7
131.08577	52.7
133.06496	7.7
133.10141	19.9
135.08049	6.6
135.11714	11.1
137.09645	4.0
139.11194	2.1
141.07004	7.2
142.07773	3.9
143.08574	46.2
144.09358	1.8
145.06488	3.4
145.10133	49.5
147.04396	6.9
147.08096	6.4
147.11693	11.5
149.09613	5.0
149.13255	5.1
151.11220	1.7
155.08592	8.3
156.09415	1.7
157.10141	19.9
159.08064	4.3
159.11703	16.0
161.09624	11.4
161.13234	6.7
163.11179	5.6
165.06990	1.8
167.08533	4.1
169.10153	11.8
171.07896	1.9
171.11668	10.6
173.04445	1.5
173.09584	3.4
173.13254	6.2
175.11191	5.1
175.14880	1.8
177.12794	2.0
180.09346	1.8
181.10179	7.9
181.52400	1.2
183.11736	6.6
185.13242	5.1
187.11130	2.4
187.14832	1.5
189.11269	2.8
189.12845	2.3
195.11749	10.4
197.13354	1.9
199.11224	2.3
199.14804	3.2
199.41057	1.5
209.13300	3.1
211.14864	1.7
213.12817	2.0
213.56136	1.5
227.12762	2.4
227.17969	3.1
237.16380	11.2
245.18994	4.5
255.17453	15.0
261.22128	4.1
273.18512	56.6
275.20139	3.8
291.19504	9.3
303.19534	1.5
329.21109	6.0
333.24316	2.1
335.25812	100.0
336.26096	2.2
347.22186	30.0
357.62735	1.8
365.22900	2.4
389.22711	1.6
393.86987	1.6
555.91150	1.4
589.03998	1.4
589.42651	2.0
597.85583	1.5
607.43524	42.7
625.44769	14.8
711.78650	1.5
769.47839	2.3
787.49188	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	787.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01630	1.7
55.01877	20.3
55.05514	31.7
57.03442	14.7
57.07067	3.0
59.04995	1.2
61.02925	3.5
65.03953	6.7
67.05508	85.5
68.05827	4.3
69.03427	5.9
69.07073	44.8
71.04674	2.0
71.05005	6.1
79.05498	62.4
79.60743	1.2
80.05833	2.8
81.03423	12.6
81.07061	79.9
82.07388	2.9
83.04982	10.2
83.08621	12.1
85.02916	5.8
85.06557	4.6
87.55984	1.5
91.05486	82.7
92.05813	2.1
93.07050	63.7
94.07401	3.0
95.01337	9.3
95.04985	14.5
95.08613	50.1
96.08935	3.2
97.02890	2.7
97.06535	30.0
97.10177	5.8
99.08084	2.5
103.05476	3.1
105.04556	3.2
105.07039	100.0
106.07401	2.4
107.04954	17.2
107.08602	34.2
109.06567	8.1
109.10159	35.8
110.10480	5.9
111.04462	2.0
111.08090	4.2
115.05456	3.5
117.07017	27.6
118.06561	1.2
119.06175	1.2
119.08588	58.4
120.08941	1.7
121.06512	4.1
121.10146	21.5
122.10480	1.4
123.04468	2.2
123.08057	6.0
123.11720	4.6
125.09615	3.9
127.03893	1.4
128.06212	3.0
129.05519	1.8
129.07013	10.1
131.08585	34.9
133.06497	2.2
133.10141	53.6
134.10410	1.5
135.08067	5.4
135.11700	17.4
137.09622	4.7
139.07603	1.7
139.11195	1.4
141.07021	3.9
142.07764	1.6
143.08597	10.2
145.06499	3.2
145.10136	25.8
147.08046	1.9
147.11699	31.2
149.09631	7.3
149.13274	8.3
151.11183	2.2
154.07750	1.5
155.08548	5.8
155.10672	2.0
156.09351	1.2
157.10170	10.0
159.08110	1.4
159.11707	19.9
161.09622	2.9
161.13269	19.7
163.11191	5.6
163.14862	2.3
165.09135	2.3
169.10155	5.0
171.11719	11.9
173.11755	5.4
173.13272	12.1
175.11160	1.9
175.14813	8.6
177.12756	3.8
179.14346	12.8
181.10074	2.2
183.11655	3.6
185.13304	6.4
187.11186	5.4
187.14839	3.8
189.11198	1.7
189.12749	2.1
195.11778	2.1
197.13315	3.3
199.14796	3.8
201.12830	1.6
205.12253	1.6
209.13229	2.6
211.14844	1.5
213.16370	2.0
217.19501	1.9
223.13264	5.3
227.12692	2.7
228.13112	1.4
229.14333	22.8
229.19434	2.2
230.14674	8.2
231.20963	2.3
239.17906	2.1
241.14209	1.9
241.19518	17.0
241.83144	1.4
243.13580	1.4
243.21217	1.4
247.20526	1.8
257.18918	7.1
259.20605	22.2
261.22180	4.3
262.22412	2.3
273.18509	2.0
275.20068	67.8
279.15863	3.1
285.22125	1.6
293.21130	4.2
297.16965	6.3
297.22272	1.4
298.17261	4.2
315.23230	9.2
333.24249	43.6
334.24454	1.4
335.25876	18.8
336.26184	17.7
349.23773	39.6
351.25681	1.8
376.01230	1.3
489.35632	5.5
490.36148	10.7
511.37485	2.8
513.35632	2.7
533.39752	2.6
540.37177	2.5
557.38348	1.4
558.38470	5.5
576.39606	2.0
607.43610	62.4
608.43555	1.9
625.44653	19.0
715.45551	1.7
787.49152	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	787.499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	14.7
55.05270	2.4
55.05517	36.8
57.03440	16.9
57.07072	3.0
57.69513	1.3
59.04986	1.4
61.02934	15.7
65.03938	5.4
67.05511	88.6
69.03439	21.0
69.06723	2.5
69.07072	33.2
69.15776	7.0
69.16207	6.8
71.01339	1.4
71.05000	8.2
73.02925	9.2
77.03935	2.1
78.90873	1.2
79.05500	58.0
81.03432	23.5
81.07065	75.9
83.04984	12.7
83.08626	18.6
85.02905	14.7
85.06536	5.7
91.03949	6.4
91.05486	58.5
93.07052	58.4
95.04971	12.8
95.08615	47.0
96.41203	1.4
97.02905	17.4
97.06537	15.6
97.10177	12.2
99.04447	4.3
99.08086	4.7
101.02415	2.1
103.05492	1.8
105.04544	1.8
105.07037	57.4
107.04962	9.2
107.08600	35.9
109.02885	6.2
109.06548	6.7
109.09477	1.9
109.10174	33.3
110.06039	1.3
111.04443	3.1
111.08080	5.2
113.06033	1.5
113.09645	2.3
115.03912	1.6
115.05461	4.6
117.07026	28.9
119.08585	45.0
121.06489	4.5
121.10150	22.7
123.08070	5.8
123.11741	7.2
125.09653	7.8
127.03950	8.3
128.06218	7.8
129.05493	2.7
129.07011	24.1
130.07765	2.1
131.08577	42.7
133.06483	3.5
133.10147	33.2
135.08080	5.5
135.11703	12.0
137.09601	5.9
139.11208	2.7
141.06966	8.0
142.07773	6.5
143.08571	23.8
145.05022	2.4
145.06494	2.8
145.10132	33.9
147.08044	3.9
147.11697	21.4
149.09619	7.7
149.13289	8.7
151.11176	3.1
153.06978	1.6
154.07805	1.6
155.08556	15.9
156.09384	1.7
157.06528	1.9
157.10146	24.8
159.08075	3.0
159.11713	24.4
161.09607	3.2
161.13272	11.1
163.11131	3.8
163.14787	2.5
164.21054	1.5
165.07007	3.0
165.12714	2.5
166.07779	2.2
167.08592	8.8
168.09319	3.4
169.10155	22.4
171.08012	3.2
171.11685	20.3
173.04460	4.9
173.09683	2.5
173.11755	3.6
173.13263	14.8
175.11174	3.1
175.14833	5.7
176.31854	1.3
177.12788	2.9
179.08575	3.8
179.14294	2.0
181.10110	12.1
182.10944	1.6
183.11702	22.1
185.09695	2.7
185.13281	17.9
187.11163	4.1
187.14786	6.1
189.11142	2.0
189.12785	2.5
189.16348	3.1
193.10130	4.3
195.11781	11.7
195.13554	2.3
197.13264	14.3
199.11153	2.4
199.14865	8.3
201.12686	2.3
201.16409	4.5
205.10199	3.0
205.12056	1.4
207.11707	5.1
209.13342	9.0
211.11102	2.0
211.14828	8.8
213.12933	2.1
213.16438	5.5
215.14352	1.9
215.17961	2.1
217.15900	2.6
219.11786	1.9
221.13277	5.4
223.14920	6.8
225.16432	5.9
227.12808	4.7
227.18007	3.1
229.14244	9.9
229.19536	2.1
233.13208	1.8
235.14864	3.4
237.16365	4.8
239.17938	4.0
241.19473	5.0
243.21222	1.7
247.14873	2.1
249.16402	1.8
251.17990	2.9
257.18973	5.3
259.20596	11.6
261.16473	1.9
261.22260	2.3
273.18478	2.8
273.22119	1.6
275.17810	1.3
275.20160	13.8
277.21774	1.9
283.20538	2.6
285.22000	2.2
291.19547	4.1
297.22250	1.9
299.20120	2.3
301.21683	3.1
309.22137	4.4
311.23502	1.6
321.21582	1.7
331.22717	3.0
333.24463	8.8
335.25867	3.7
339.26755	2.2
349.23965	7.1
355.26251	2.0
379.30118	2.4
385.23648	2.6
401.27579	1.7
403.29663	1.8
421.31012	2.9
435.32614	1.8
439.31915	2.0
453.33411	2.8
477.33176	1.8
487.33865	1.9
489.35611	2.2
495.34949	2.5
501.34882	1.9
509.36191	2.2
513.35779	22.1
515.38727	7.4
527.37415	20.6
528.37787	1.6
529.38574	1.7
533.39545	4.5
545.38544	3.1
551.40350	5.4
555.36694	3.1
567.40393	3.1
589.42072	3.4
597.45020	2.7
607.43591	66.3
608.44592	3.4
623.42950	2.3
625.44672	100.0
626.44751	4.4
635.39532	2.9
653.40051	3.3
667.45538	1.7
671.41431	2.1
689.42145	5.8
733.46454	5.1
751.47253	3.7
769.49054	10.8
787.49884	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	787.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	15.2
55.05263	2.3
55.05514	29.2
57.03440	14.3
57.07058	2.9
61.02927	12.8
61.75609	1.2
65.03939	4.5
67.05505	64.9
69.03430	11.2
69.07068	29.0
70.66022	3.3
71.01356	1.8
71.05002	8.4
71.08640	1.6
73.02915	5.3
77.03897	1.6
77.96225	1.1
79.05015	1.2
79.05496	50.8
81.03426	21.3
81.07055	62.7
83.04989	8.4
83.08617	15.8
84.61411	1.2
85.02913	16.7
85.06548	4.4
87.04494	1.6
91.03962	3.9
91.04896	1.7
91.05480	47.3
93.07047	51.1
94.28934	1.2
95.04965	8.3
95.08610	41.5
97.02884	13.6
97.06532	15.1
97.10173	12.7
97.73408	1.1
99.04451	4.4
99.08115	2.8
101.02355	1.7
103.05448	3.8
103.74147	1.2
105.04530	2.3
105.07032	47.0
107.04967	7.9
107.08599	33.1
109.02877	5.1
109.06516	3.8
109.10153	24.0
111.04430	1.5
111.08092	5.0
115.05453	3.8
116.06199	1.4
117.07021	26.7
119.08579	38.9
121.06534	3.5
121.10149	19.4
123.08072	3.8
123.11700	8.9
125.09607	7.8
127.03940	4.9
128.06184	6.7
129.07011	19.8
130.07841	1.6
131.08572	29.9
133.06516	3.1
133.10132	28.1
135.08066	5.3
135.11693	11.1
137.09644	3.1
139.11165	2.5
141.06952	8.7
142.07816	4.8
143.08563	24.9
144.09337	1.4
145.06458	2.0
145.10127	26.4
147.08037	2.5
147.11693	17.9
149.02344	2.9
149.09610	7.1
149.13251	7.1
151.11194	3.3
153.07027	2.0
153.09155	1.3
154.07762	2.0
155.08585	14.1
156.09360	2.3
157.10141	20.5
158.10826	1.3
159.08055	2.3
159.11694	22.2
160.11929	1.5
161.09575	1.8
161.13249	10.2
163.11208	4.4
163.14821	2.9
165.06970	2.0
165.12762	1.4
166.49361	1.3
167.08560	7.6
168.09340	2.6
169.06227	1.1
169.10121	19.4
170.10965	1.4
171.11685	17.8
173.04533	6.9
173.05803	1.4
173.09618	3.0
173.13243	12.2
175.11197	3.6
175.14824	3.5
177.08904	1.1
177.12827	2.2
179.08597	3.4
179.14311	1.5
180.09357	1.5
181.10115	10.2
183.11694	19.4
185.09656	3.1
185.13260	14.4
187.13391	1.4
187.14752	6.5
189.11235	4.8
189.12723	2.6
189.16400	1.5
191.14313	1.4
193.04863	2.4
193.10136	5.0
195.11676	10.4
196.12401	1.7
197.13249	12.7
199.11156	2.2
199.14873	9.1
201.12772	2.2
201.16449	2.2
207.11690	4.7
209.13289	9.2
211.11317	1.4
211.14859	7.7
213.12875	2.0
213.16388	5.4
215.14215	1.5
215.18077	1.9
217.19447	1.5
221.13272	3.8
223.14827	7.5
223.16708	1.3
225.16370	6.5
227.12756	5.6
227.17952	2.7
229.14319	4.6
229.19644	2.1
233.13269	2.8
235.14787	3.7
235.16939	2.2
237.16377	4.3
239.18022	4.4
241.19618	5.9
243.15813	1.9
243.21019	2.0
249.16449	3.8
251.18033	2.8
253.19571	1.4
257.19092	5.6
259.20566	8.1
263.17871	1.8
265.19498	2.5
267.15976	1.8
269.17813	1.6
271.20654	1.8
273.18527	3.1
275.20053	14.7
291.19437	1.4
295.20627	2.0
297.22083	1.7
301.21567	2.2
309.22128	1.4
313.21695	2.9
321.22308	1.8
323.23553	1.5
325.21680	2.2
329.25015	1.5
333.24414	7.9
335.26013	3.4
339.23334	1.8
341.24762	1.5
349.23947	7.1
365.28366	4.5
379.25854	1.7
379.30161	2.3
381.31763	1.7
383.29489	1.6
413.21890	1.5
421.31107	3.3
435.32590	2.3
463.32208	1.9
469.33295	1.6
495.34653	2.8
499.34671	1.7
513.35803	30.3
515.38507	8.4
517.35126	1.9
525.35406	2.3
527.37305	9.8
533.39990	8.7
537.35400	2.3
551.40698	5.3
553.39264	1.7
555.36823	1.8
567.40131	2.2
589.42163	2.8
597.44788	2.1
607.43549	51.8
608.43091	2.2
625.44629	100.0
626.45306	4.7
635.38568	1.6
649.44281	1.7
653.40381	1.3
667.45251	1.7
671.41418	3.2
675.41547	1.8
689.42175	4.9
733.45978	4.3
751.46936	3.9
769.49518	6.1
787.50006	16.1
788.49878	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	787.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	15.8
55.05512	32.2
57.03444	10.4
57.07071	5.3
59.04990	2.4
61.02935	12.4
65.03931	2.9
67.05506	71.3
68.05833	1.5
69.03432	14.3
69.07067	26.6
71.04978	7.0
71.17892	3.0
73.02911	6.6
77.03897	2.3
77.35570	1.5
79.05495	57.6
81.03420	17.8
81.07061	64.7
83.04980	8.5
83.08621	17.1
85.02907	14.9
85.06539	3.8
91.03952	7.4
91.05480	45.7
93.06477	3.0
93.07047	47.8
95.04993	11.1
95.07980	2.1
95.08606	39.3
97.02895	10.7
97.06530	15.3
97.10172	10.1
99.04477	5.2
99.08084	1.9
103.05497	2.3
104.81072	1.6
105.04475	2.4
105.07037	46.5
107.04970	8.4
107.08601	29.4
109.02873	4.9
109.06516	6.9
109.10167	21.4
111.04449	2.8
111.08068	5.5
115.05435	4.1
117.07015	22.1
119.07797	3.1
119.08583	34.1
121.06525	2.8
121.10157	20.8
123.08064	5.7
123.11729	8.3
125.05952	1.9
125.09642	6.7
127.03937	5.7
128.06218	5.3
129.07004	20.2
130.07741	2.1
131.08583	31.8
133.06491	2.5
133.10141	26.9
135.08049	6.3
135.11694	9.6
137.09630	2.3
141.07005	8.9
142.07784	2.7
143.08560	24.0
145.06468	3.3
145.10127	26.9
146.53574	1.6
147.08080	3.2
147.11710	19.6
149.02370	2.5
149.09576	4.2
149.13266	5.3
151.11192	2.3
151.65405	1.6
153.07027	2.0
154.07693	1.9
155.08545	16.4
155.10683	1.9
156.09375	2.5
157.10132	21.3
159.08003	3.5
159.11696	23.4
161.09587	3.2
161.13315	9.1
163.11227	3.7
165.07004	3.1
165.12819	2.0
166.07758	2.1
167.08528	8.2
169.10098	17.0
171.08034	2.9
171.10216	2.5
171.11670	20.4
173.04459	2.9
173.09647	2.9
173.11887	2.9
173.13237	11.6
175.11205	2.3
175.14842	4.8
177.12787	2.5
179.08559	3.3
181.10097	10.5
183.11728	17.0
185.09601	2.3
185.13289	13.0
187.14806	6.2
189.11133	4.0
189.12674	2.1
189.16388	2.4
193.05098	1.9
193.10115	5.1
195.11743	11.3
197.13268	12.9
199.11209	2.4
199.14819	9.2
201.12793	3.5
201.16364	4.5
207.11673	5.7
209.13231	8.8
211.11160	1.8
211.14824	8.3
213.16440	5.5
215.17857	2.0
217.10239	1.8
219.11638	2.8
221.13249	4.2
223.14827	7.1
225.12840	1.8
225.16374	3.5
227.12727	4.5
227.18045	2.2
227.20055	7.1
228.20380	3.2
229.14378	4.3
233.13318	2.5
235.14830	3.5
237.16382	4.5
239.17982	4.7
241.19528	6.7
243.15923	1.9
247.14709	3.0
249.16362	2.4
251.17984	2.4
253.19547	2.2
257.18973	4.9
259.20483	8.4
261.22015	2.1
265.19547	2.5
273.18497	3.5
275.20129	12.2
275.26627	1.8
277.19284	2.2
285.21970	1.8
291.19736	2.5
297.22095	1.7
309.21948	1.9
313.21591	2.7
315.23065	3.5
325.21677	1.9
331.22928	1.8
333.24509	7.6
335.25815	3.8
341.24774	3.0
346.48926	1.8
347.22308	2.6
349.23825	7.4
363.26526	1.9
365.28262	1.8
367.22717	3.5
421.31094	4.5
439.32358	2.5
495.34418	4.3
497.37164	2.0
501.35498	2.8
513.35779	34.9
515.38220	6.8
527.37213	7.4
528.39172	1.7
533.39624	5.4
539.36951	2.2
551.41022	5.2
555.36896	2.5
567.40564	3.6
589.42499	4.0
597.44720	2.1
607.43591	56.0
625.44629	100.0
626.44696	5.6
649.44171	2.0
675.41650	2.1
733.46448	3.7
751.47888	2.6
769.48737	8.5
787.49969	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	787.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01677	1.8
55.01880	20.9
55.05273	2.2
55.05515	33.4
57.03451	14.1
57.07073	6.7
61.02907	5.4
65.03941	5.3
67.05511	89.5
69.03435	22.6
69.06740	3.1
69.07075	38.8
69.15680	20.3
69.31870	1.8
69.53825	1.8
71.04996	10.8
73.02889	2.2
77.03899	2.6
79.05499	68.5
81.03426	50.6
81.07063	100.0
83.04992	14.7
83.08623	14.7
85.02896	11.4
85.06544	6.9
86.41998	1.9
91.05490	85.4
91.53845	2.0
93.06487	4.1
93.07055	69.9
95.01311	2.6
95.04990	16.1
95.08613	61.0
97.02888	17.2
97.06531	24.8
97.10161	7.3
99.04462	6.6
103.05490	4.3
105.07037	85.3
107.04935	11.9
107.08601	44.8
109.02852	6.6
109.06525	8.8
109.10175	19.1
111.04464	4.2
111.08067	3.7
112.23589	1.8
115.05433	4.3
117.07024	32.4
119.08595	56.6
119.09462	2.7
121.06511	7.9
121.10160	22.4
123.08083	9.7
123.11700	6.8
125.09624	4.9
127.03912	7.3
128.06235	4.9
129.05533	3.7
129.07016	19.8
131.08571	44.2
133.06488	6.5
133.10146	49.0
135.08063	7.4
135.11688	20.2
137.09604	3.8
139.11194	3.0
141.06969	9.9
142.07758	3.3
143.08582	21.8
144.09297	2.2
145.06473	3.6
145.09065	2.6
145.10135	32.1
146.10413	2.1
147.08084	4.8
147.11707	30.7
149.09610	7.4
149.13257	10.4
151.11142	4.6
152.07103	2.0
153.06956	2.6
154.07759	3.7
155.08565	13.7
157.10115	22.1
159.08054	5.1
159.11700	31.1
161.09578	3.2
161.13272	15.8
163.11163	6.7
163.14839	3.5
165.12743	2.6
167.08601	6.4
168.09392	2.7
169.10153	12.1
171.08095	3.7
171.11700	22.0
173.04457	15.5
173.09621	3.8
173.13261	17.4
175.11191	4.2
175.14827	9.0
177.12727	5.2
179.08507	3.9
179.14268	4.7
179.55800	2.0
181.10181	10.5
182.10866	2.4
183.08090	2.7
183.11699	14.1
185.13235	13.9
187.11259	2.8
187.14818	6.5
189.12764	2.8
195.11691	8.2
195.13716	4.5
197.13237	11.5
199.05931	2.6
199.11151	5.5
199.14819	7.7
201.12744	4.1
201.16370	3.4
207.11723	5.6
209.09637	2.3
209.13303	10.0
211.14807	6.6
213.12862	2.4
215.17873	4.0
217.15950	2.1
219.11841	2.4
221.13260	4.8
223.14729	5.3
225.12807	3.1
225.16313	3.7
227.18044	2.5
229.14249	2.8
231.21060	2.2
233.09329	2.3
237.12675	2.7
237.16425	3.8
239.17969	4.8
241.19507	11.3
249.16396	2.0
257.19003	8.2
258.19272	2.1
259.20581	21.9
261.22171	5.1
267.15912	5.7
269.17484	4.7
271.20538	4.0
273.18494	2.7
275.20108	39.2
277.21533	3.0
301.21686	2.9
309.21951	2.9
313.21399	2.6
315.23196	8.7
325.21655	4.0
333.24277	25.9
335.25803	7.3
345.24753	2.4
349.23981	21.1
367.22479	2.4
392.50687	2.0
413.21860	2.1
435.32651	5.1
459.27527	2.1
501.35895	2.2
509.36057	2.9
513.35590	6.6
515.37787	4.8
525.36047	3.8
527.30176	2.5
527.37354	28.6
533.39813	5.1
545.38165	4.2
551.40753	3.3
597.45563	3.5
607.43561	55.3
617.38092	2.4
623.40320	2.0
625.44653	49.1
635.39172	7.8
653.40753	4.6
671.41113	6.6
689.42352	15.5
733.45764	3.9
751.47290	3.7
769.49164	9.2
787.49176	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	787.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.2
55.05516	19.0
57.03437	8.3
58.93707	1.9
65.03939	4.8
67.05510	58.4
67.05875	3.1
69.03433	20.6
69.07072	20.9
71.05001	11.0
71.54408	2.6
73.02911	3.1
75.36006	1.8
79.05067	3.1
79.05502	40.7
81.03429	55.2
81.07064	78.3
83.04644	1.6
83.05000	17.0
83.08623	16.0
85.02905	10.4
85.06571	4.6
91.03965	3.2
91.05488	39.2
93.07056	56.0
95.04967	9.2
95.08614	23.4
97.02907	11.1
97.06522	11.2
97.10171	2.9
99.04486	6.3
105.07051	20.5
107.04959	4.8
107.08597	28.9
109.02867	9.4
109.06510	3.3
109.10168	9.7
111.04490	6.9
111.08089	8.8
117.07036	14.7
119.08595	9.1
121.02845	2.0
121.06510	6.5
121.10151	15.7
123.11729	4.9
125.09593	3.2
127.03914	10.0
128.06232	2.1
128.44362	2.2
129.05504	3.2
129.07014	5.4
131.08583	19.3
133.10138	15.6
135.08055	4.1
135.11711	7.5
138.17665	1.8
141.07042	2.3
141.46716	2.0
143.08551	4.1
145.06494	3.3
145.10162	9.3
147.04398	2.2
147.11682	7.8
149.13268	19.6
155.27335	2.1
157.10120	4.3
159.11729	10.3
165.12776	2.7
171.11674	2.7
173.04485	24.3
173.13353	2.9
175.11224	2.0
177.12758	5.9
181.10143	2.5
185.13283	2.8
193.12206	2.2
195.13887	12.7
213.14897	2.5
219.13768	2.5
232.10831	2.2
251.16466	3.8
261.14874	2.1
267.15991	5.5
269.17462	37.8
275.16217	2.1
339.18073	6.2
353.24585	2.2
389.27008	2.2
395.20572	6.7
413.21741	17.1
427.28195	2.9
445.29532	30.4
463.30594	86.8
487.30222	3.0
523.42780	2.1
571.32489	4.6
589.33405	10.1
607.34796	100.0
608.35187	3.8
625.35919	2.3
751.38873	4.8
787.37262	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	787.2285
Annotation	Isorhamnetin 3-(4Rha-galactosylrobinobioside)
Peak:m/z	Relative Intensity
55.05483	0.3
57.03439	1.6
61.02926	1.5
66.19872	0.2
69.03384	0.6
71.04994	9.8
71.12120	0.3
73.02875	0.6
73.87358	0.2
75.04427	0.5
76.02190	0.2
81.03374	0.5
83.04926	0.6
85.02905	13.1
86.82742	0.2
87.04417	0.2
87.83604	0.2
91.03971	0.9
92.02597	0.3
93.03358	0.4
97.02893	1.1
99.04414	0.2
111.04420	0.5
119.03461	0.2
121.02822	0.4
127.03827	0.6
129.04665	0.2
129.05493	3.3
133.02835	0.5
139.03857	0.6
141.01782	0.2
145.04936	0.5
147.04349	0.3
147.06511	0.9
151.03923	1.7
153.01831	8.3
158.02722	0.2
163.03815	0.3
165.01793	0.4
168.86600	0.2
177.05559	0.3
193.06401	0.6
201.05405	0.2
217.04991	0.2
218.05713	0.2
228.04158	0.5
229.04906	1.6
245.04410	0.4
246.05212	1.0
257.04468	2.0
261.07568	0.3
271.06070	0.2
273.03946	1.0
274.04715	3.2
284.03214	0.3
285.03915	3.6
287.05511	1.4
302.04218	11.3
303.04987	24.8
304.05298	0.5
317.06555	100.0
318.06863	1.9
322.10696	0.7
323.11038	0.3
359.07568	0.5
449.10831	0.4
465.10501	0.3
479.11884	28.8
480.11957	0.6
532.74695	0.2
641.13470	2.6
772.20959	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	787.2291
Annotation	Isorhamnetin 3-(4Rha-galactosylrobinobioside)
Peak:m/z	Relative Intensity
55.01870	0.2
55.05518	0.2
57.03442	1.9
61.02939	0.9
65.03939	0.1
69.03439	1.5
70.06600	0.2
71.01331	0.2
71.04997	9.5
71.52456	0.2
73.02915	0.5
75.04515	0.7
75.04842	0.2
76.79341	0.1
81.03408	0.6
83.04971	1.4
85.02910	17.0
86.03234	0.2
86.90503	0.1
87.04467	0.4
87.58535	0.1
91.03965	0.4
92.02618	0.4
93.03394	0.4
93.91479	0.1
97.02888	1.9
99.04488	0.4
105.25797	0.2
109.02892	0.7
110.17435	0.1
111.04476	0.8
112.25835	0.1
121.02881	0.5
126.03127	0.2
127.03927	1.7
129.05490	4.6
133.02901	0.2
135.43477	0.1
137.05983	0.3
139.03894	0.9
145.04962	1.9
147.04433	0.2
147.06531	2.3
151.03922	0.4
153.01840	4.5
163.06018	0.3
165.01872	0.5
165.05453	0.2
201.05505	0.3
203.03392	0.2
218.05733	0.4
228.04242	0.8
229.04977	2.1
231.02831	0.2
239.03342	0.1
245.04535	0.3
246.05284	0.9
257.04495	1.7
258.05133	0.4
259.05548	0.3
260.03275	0.2
260.05994	0.2
261.07562	0.2
271.06039	0.4
273.03992	1.1
274.04730	3.2
275.05118	0.2
284.03271	0.4
285.03937	3.1
286.04715	1.5
287.02338	0.2
287.05209	1.0
288.05316	0.7
301.03690	0.1
301.07053	4.0
302.04291	11.4
302.07443	2.5
303.04593	0.3
303.07660	2.3
311.15320	0.1
316.25711	0.1
317.06573	100.0
318.06915	1.9
329.06290	0.3
331.08188	0.2
347.07562	0.3
359.07648	0.7
383.07343	0.2
479.11749	2.3
639.14844	0.2
641.16461	1.3
723.46667	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	786.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.2
55.05512	17.8
57.03440	15.8
57.07071	3.2
59.05016	4.1
61.02926	2.7
65.03940	3.8
67.05507	100.0
69.03441	4.7
69.07071	15.2
69.15859	3.8
69.16286	3.3
71.04999	4.5
71.08650	0.9
73.02899	1.5
79.05495	40.9
80.39234	0.6
81.03416	10.7
81.07058	52.0
83.04983	4.3
83.08619	9.7
85.02905	7.7
85.06550	4.0
87.04472	2.3
88.19720	0.8
91.03976	1.1
91.04896	1.3
91.05040	0.5
91.05483	34.3
93.07044	44.2
95.04974	9.5
95.05553	0.8
95.08608	37.0
96.08997	0.9
97.02867	3.8
97.06526	5.4
97.10157	4.1
99.08092	1.2
101.06043	0.9
103.03926	0.8
103.05499	1.0
105.04551	1.2
105.07030	20.3
107.04967	8.5
107.08595	22.3
107.09299	1.4
109.06524	7.4
109.10156	60.3
110.10500	0.8
111.04462	2.1
111.08085	5.5
113.06007	1.0
115.05484	0.8
117.07025	12.3
119.08583	19.9
121.06507	7.8
121.10144	14.5
123.04464	1.1
123.08089	2.7
123.11694	4.7
125.09666	3.2
127.03899	0.7
128.06248	0.9
129.07028	2.8
130.07828	0.9
131.04953	0.8
131.08571	15.7
133.10129	12.4
135.08035	1.9
135.11684	10.2
137.09589	3.7
137.13316	1.8
141.07011	2.2
143.08588	4.1
145.06525	1.3
145.10126	9.8
147.08089	1.1
147.11691	6.1
149.09648	1.7
149.13257	6.8
151.11171	0.7
155.08617	1.3
155.10706	3.5
157.10152	2.6
159.08122	1.5
159.11710	9.8
161.13249	5.0
162.09935	0.6
163.14873	2.6
165.12729	0.9
167.14288	0.9
169.10185	3.3
171.11739	2.2
173.11790	15.3
173.13319	6.1
175.10974	0.7
175.14940	2.4
177.12787	2.2
177.16414	0.9
179.10747	1.4
183.11751	2.3
185.13324	0.9
187.11240	3.4
187.14891	2.9
189.11252	1.6
189.12778	0.8
199.14833	0.9
201.16425	0.7
205.12302	2.9
223.13293	11.9
227.12764	4.2
229.14357	63.1
230.15004	0.7
237.15022	1.2
241.19591	1.3
243.21130	4.7
257.19250	0.8
259.20709	2.1
261.22128	16.7
261.24777	0.9
275.20047	3.8
279.16132	2.3
281.17685	0.8
297.16953	19.2
297.20059	1.2
313.25540	0.9
317.24921	2.9
333.24255	2.9
335.25809	77.3
336.26303	2.7
349.23837	2.7
397.31357	0.8
415.32355	1.0
421.93726	0.7
451.28906	0.8
465.33685	0.9
471.34979	1.1
483.35056	1.7
489.35764	35.0
490.36249	1.7
507.36948	2.1
517.10974	0.9
539.37579	3.6
557.38354	14.4
575.39722	3.0
607.43536	3.1
625.44727	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	18.6
55.05269	2.4
55.05518	32.9
56.32652	1.5
57.03439	12.7
57.07076	2.0
59.28697	1.4
61.60984	1.7
65.03941	4.8
65.23251	1.6
67.05511	100.0
69.03430	5.7
69.07072	46.4
71.05001	7.4
71.53391	1.6
73.02943	2.1
73.06560	1.8
74.95466	1.6
77.25729	1.5
79.05501	91.0
81.03424	18.6
81.07063	78.4
83.04987	21.3
83.08617	14.6
85.02909	5.7
85.06557	5.1
87.04472	2.0
89.06036	2.2
91.05491	89.4
93.07053	91.9
95.04379	1.9
95.04982	30.3
95.08613	56.1
95.26256	1.8
97.02887	4.0
97.06541	24.8
97.10159	7.9
99.08094	3.9
103.05475	2.9
105.04524	3.8
105.07040	65.6
107.04973	19.3
107.08602	29.5
109.02875	2.4
109.06532	8.3
109.10167	32.0
111.08091	5.2
115.05479	2.3
117.07021	17.2
118.06554	1.7
119.08585	45.1
121.06522	7.2
121.10164	9.8
123.08083	12.7
123.11713	1.7
125.09647	3.8
127.03990	3.9
128.06226	5.1
129.05489	1.9
129.07010	22.6
131.08556	14.8
133.06548	3.3
133.10138	25.8
135.08063	6.9
135.11685	8.6
137.09618	15.8
141.07013	3.9
143.08556	11.5
145.06558	2.4
145.10139	20.6
147.08046	4.2
147.10530	2.2
147.11705	44.7
149.09636	18.8
149.13246	3.1
151.11179	3.8
155.08569	2.5
155.10680	2.3
157.10182	3.7
159.11720	8.4
161.09669	5.8
161.13272	14.6
163.11208	10.6
165.09143	1.5
169.10130	2.4
171.10280	1.9
171.11687	31.5
173.04469	1.8
173.11765	6.9
173.13269	4.1
175.11142	3.3
177.12709	3.2
179.14311	4.6
183.11705	2.1
185.13306	1.7
187.11147	3.2
189.11234	2.6
189.12730	12.5
193.12300	1.8
195.13780	1.5
197.13283	2.6
198.37157	1.5
207.13823	29.3
213.16287	1.7
223.13269	3.6
225.14932	2.2
227.12784	2.4
227.20059	2.7
229.14314	13.9
229.19577	1.8
247.20593	2.4
257.19031	8.1
267.15967	2.4
272.92398	2.0
273.18506	3.1
275.20126	28.2
281.17496	55.0
284.14816	1.8
291.19598	9.0
293.20932	2.9
331.22519	2.2
349.23709	21.3
365.23169	4.7
377.23282	3.5
435.27426	46.9
449.29022	3.5
459.31064	5.8
475.30704	2.6
537.35559	3.5
555.36859	54.7
557.34772	1.9
562.52106	1.7
571.36224	3.4
573.37933	4.5
750.70453	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	786.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.3
55.05505	2.3
55.37869	0.5
57.03425	2.2
57.64280	0.5
57.98806	0.7
58.99590	6.9
61.02914	1.9
61.22258	0.5
65.03953	0.6
67.05518	3.6
69.03426	1.9
69.07066	0.8
70.06606	1.2
70.82156	1.2
70.82505	0.7
71.04999	1.3
72.04516	2.6
73.02927	1.2
76.02234	31.3
79.05498	4.9
81.03425	45.9
81.07060	4.2
83.04974	1.8
83.08625	11.7
84.04044	0.8
84.04512	10.6
85.02920	3.1
86.00620	0.7
86.99061	1.1
88.02208	1.7
88.89993	0.6
90.05564	22.1
91.03937	0.8
91.05487	6.5
93.07029	3.4
95.04979	14.1
95.08607	0.9
97.02881	2.4
97.06525	0.6
97.10165	1.0
100.02200	0.7
103.05416	0.6
104.01710	4.4
105.07044	4.2
107.04962	3.1
107.08594	1.9
109.06511	0.8
111.04450	1.1
111.08093	5.7
114.03855	0.6
116.01688	10.0
119.04980	0.6
119.08600	5.2
121.06509	1.2
121.10172	2.6
123.04418	1.3
126.05508	2.1
127.04017	0.6
127.05025	1.9
129.07031	4.4
130.03232	1.7
130.05009	6.6
131.08572	3.6
133.06488	1.6
133.10136	1.5
137.05901	0.7
137.09633	1.0
141.04802	0.7
142.03227	5.1
142.07750	1.5
144.06538	0.9
145.06194	0.5
146.02718	0.6
147.04442	1.2
147.08067	1.8
147.11682	4.2
149.09627	3.2
153.01926	0.5
154.12218	0.4
157.10147	5.7
158.02725	47.0
159.07700	0.8
165.12724	0.9
170.02740	1.8
175.05391	7.0
175.11188	6.5
176.03778	18.7
177.05435	0.7
185.03716	1.3
187.05368	3.1
191.04791	4.1
193.06441	73.9
193.12250	30.8
211.13280	2.7
215.04892	3.6
233.05930	10.4
235.13315	0.7
241.06462	1.9
250.12526	0.8
259.07578	1.3
267.15939	18.8
276.16022	0.7
285.16989	23.5
286.04761	2.4
287.05289	2.0
297.07562	1.9
298.07986	1.4
301.07080	6.8
302.04144	0.8
302.07416	6.8
304.09647	1.6
305.07950	1.1
309.17026	3.2
317.06635	2.9
318.79132	0.5
320.08881	0.6
322.10690	100.0
323.10861	1.0
429.21771	0.6
477.22687	1.3
484.15952	1.1
588.25793	1.3
606.26556	3.8
640.15375	0.9
669.62726	0.6
768.31940	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	785.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	9.1
55.05513	36.2
57.03436	7.8
57.07058	3.4
59.04979	2.2
61.02925	8.9
65.03922	3.4
67.05508	60.2
69.03432	12.7
69.07078	17.1
71.04999	7.2
71.08614	1.4
71.53364	1.4
73.02911	4.5
79.05497	42.5
81.03413	11.8
81.07061	41.0
83.05003	6.9
83.08620	18.3
84.70325	1.1
85.02899	11.0
85.06522	2.8
87.04440	1.4
89.06030	1.4
91.03956	4.6
91.05483	34.3
93.06482	2.1
93.07047	36.6
95.04971	8.0
95.08613	33.9
97.02889	8.2
97.06514	5.5
97.10173	24.2
99.04424	2.8
99.08057	2.4
101.02421	1.6
103.05470	1.3
105.04536	1.8
105.07040	26.7
107.04949	5.8
107.08600	25.1
109.02879	3.0
109.06511	4.5
109.10164	19.1
109.48432	1.1
111.04420	1.9
111.08057	3.9
115.05450	2.5
116.06194	1.1
117.07025	18.5
119.08585	20.3
121.06493	4.8
121.10144	9.0
123.08063	3.8
123.11721	3.8
125.09631	19.6
127.03891	4.3
128.06233	6.7
129.05469	1.6
129.07010	17.6
131.04910	2.0
131.08572	21.9
133.06483	3.4
133.10138	13.1
135.08072	5.7
135.11726	6.4
137.09619	3.3
141.06993	12.0
142.07753	3.9
143.08566	16.5
145.06522	2.9
145.10126	19.3
147.08029	4.0
147.11671	6.4
149.08446	1.4
149.09615	4.1
149.13257	2.0
151.07497	2.0
152.78816	1.2
153.06987	3.9
153.09099	3.5
153.12883	1.1
154.07671	3.1
155.08563	16.1
156.09331	1.8
157.06461	3.1
157.10130	18.7
159.08006	3.3
159.11696	11.7
161.09569	3.9
161.13234	3.6
163.11191	2.4
163.14760	1.2
165.07033	3.3
166.07796	2.4
167.08578	10.6
168.09315	3.9
169.10138	17.0
171.08015	3.6
171.10229	2.5
171.11659	13.7
173.04439	2.0
173.09633	2.2
173.11775	2.7
173.13268	6.6
175.11249	2.8
175.14833	2.7
179.08563	5.1
180.09236	1.8
181.10104	10.5
182.11005	3.0
183.08017	1.9
183.11699	15.0
185.09633	3.2
185.13261	8.8
187.11218	2.6
187.14786	3.0
189.11234	13.9
189.12778	2.3
189.75087	1.2
192.09337	2.3
193.10152	6.0
193.11943	1.4
195.11678	10.5
197.09650	2.4
197.13255	10.6
199.11147	2.9
199.14822	5.1
201.12755	2.3
201.16371	2.2
205.10143	3.2
207.11667	6.9
209.13200	8.7
211.11165	1.9
211.13101	1.4
211.14874	7.0
213.12766	3.0
213.16423	4.0
219.11603	1.5
221.13260	4.9
223.14839	5.2
225.12721	2.5
225.16394	5.2
225.61284	1.4
227.12733	13.5
227.17957	2.9
227.20018	2.3
233.13258	3.3
235.14824	3.5
237.12799	1.5
237.16324	3.2
239.17906	4.8
241.19563	1.8
245.13516	2.4
247.14767	2.2
249.16432	2.5
253.19754	2.0
255.17479	2.6
257.19009	3.8
259.20511	3.2
263.18048	1.6
265.19214	1.6
267.21164	1.3
271.16919	2.5
273.18427	4.3
275.20093	4.0
283.20499	1.8
291.19498	8.9
297.22125	2.4
309.22177	1.8
313.21805	1.3
321.22357	1.6
339.23184	1.7
347.22614	1.8
365.23682	2.1
367.22549	2.9
377.28311	1.6
379.30096	7.7
381.56198	1.2
382.34055	1.3
433.31583	1.6
435.32584	1.4
437.30237	1.6
461.29745	1.8
487.31876	1.6
511.34012	2.1
513.36456	5.1
515.33881	1.8
529.35284	2.6
531.38196	7.8
541.34882	3.4
549.39032	4.7
553.35254	3.2
554.35760	5.4
555.36261	1.4
605.33044	2.0
605.42053	30.2
621.40491	2.1
623.43073	100.0
624.42987	3.8
731.44855	1.8
749.45563	3.2
767.47168	4.8
785.48431	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	785.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82713	0.5
55.01867	2.6
55.05519	9.6
57.03441	5.2
59.04995	0.7
61.02931	17.8
65.03931	1.7
66.10606	0.6
67.05509	20.6
68.81844	0.5
69.03119	0.7
69.03434	6.0
69.07076	6.0
69.42900	4.4
71.01346	0.7
71.04985	2.6
73.02927	5.5
79.05066	1.1
79.05499	16.2
81.03413	4.8
81.07063	19.6
83.04969	2.2
83.08627	6.0
85.02912	21.4
85.06535	1.7
87.04491	0.7
91.03964	10.1
91.05489	21.8
93.07053	16.8
95.04987	3.2
95.08619	12.6
97.02898	12.0
97.06548	3.4
97.10178	2.9
98.20809	1.2
99.04450	2.1
101.02364	0.9
103.05498	0.7
105.04486	0.8
105.07040	16.7
107.04974	3.2
107.08598	7.5
107.50663	0.5
109.02881	1.9
109.06519	3.7
109.10155	4.9
111.08105	1.8
115.03931	1.0
115.05495	1.5
116.06233	1.3
117.05635	0.6
117.07034	14.3
119.04973	1.6
119.08582	10.0
121.06493	3.4
121.10159	6.2
123.04429	1.1
123.08038	2.7
123.11694	0.7
125.09609	1.7
127.03922	4.5
127.07499	0.7
128.06274	3.3
129.07021	17.4
131.04919	1.5
131.08582	21.2
133.06512	3.3
133.10150	8.2
135.08047	2.4
135.11723	2.9
137.06033	0.9
137.09625	2.0
137.24348	0.6
139.11154	0.8
141.06992	8.0
142.07745	1.7
143.08571	15.9
144.09328	0.8
145.04967	3.8
145.06509	4.6
145.10129	9.7
147.08029	3.6
147.11703	3.1
149.05962	0.6
149.09654	2.7
149.13269	1.0
151.11143	1.1
153.07011	1.5
154.07773	1.4
155.08563	11.9
156.09372	1.1
157.06491	2.0
157.10129	9.0
159.08063	3.1
159.11699	6.8
161.09645	1.9
161.13388	0.8
163.06056	2.6
163.11172	1.6
165.07033	1.2
166.07697	1.1
167.08591	5.1
168.09425	1.4
169.06366	0.7
169.10159	7.9
171.08092	2.3
171.11710	5.0
173.09627	2.0
173.13263	2.5
175.11147	2.7
175.14838	0.7
177.12793	2.1
178.07741	1.1
179.08557	3.0
181.10124	5.5
183.08107	0.9
183.11693	6.2
185.09636	1.6
185.13205	3.8
187.11237	1.5
187.14856	1.8
189.12833	0.7
191.10841	0.6
193.10258	2.8
193.11911	0.5
195.11679	6.7
197.09654	1.4
197.13266	3.8
199.11234	1.3
199.14824	2.3
201.12799	1.5
203.14357	1.4
205.10243	1.0
205.12125	0.8
207.11708	3.3
209.13251	4.5
211.11217	1.4
211.14729	2.8
213.12782	1.8
213.16472	1.2
215.14348	2.6
221.13345	4.6
223.14876	3.6
225.12778	1.1
225.16467	1.3
227.12613	0.8
227.14522	1.3
229.16042	1.1
231.17378	0.8
233.13414	1.1
235.14890	2.6
237.12877	0.8
237.16399	0.9
239.14337	3.7
241.15984	1.6
243.13802	1.0
243.17691	0.9
245.15408	1.1
249.16582	1.3
251.14386	0.9
253.16060	2.3
257.15399	1.6
259.17050	0.9
267.17535	1.0
269.15439	1.2
271.16968	2.8
275.16187	0.9
285.07709	0.7
285.18518	1.0
295.24356	0.6
301.07050	2.4
305.22806	0.9
313.18094	0.8
315.21112	0.7
323.20264	0.6
323.23563	2.7
333.22198	6.7
341.24768	3.8
350.21960	0.6
351.23215	19.9
369.24265	17.2
387.25363	8.3
389.24789	1.1
407.25754	1.3
415.28320	0.8
417.25772	0.7
425.26904	5.9
433.29251	1.4
443.27985	100.0
444.28336	2.0
461.29028	60.6
462.29282	1.9
473.28625	0.8
485.28928	2.0
503.30057	2.8
551.30133	0.8
553.34961	0.7
569.31024	2.1
587.31873	3.0
605.33051	3.6
623.34436	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	785.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.2
55.05499	0.3
57.03442	0.7
69.03408	0.2
70.80731	0.2
71.04994	3.5
73.02911	0.1
75.04451	0.1
79.05463	0.1
81.07046	0.3
83.04971	0.4
85.02906	5.4
87.04469	0.1
89.65630	0.1
93.07026	0.1
95.01308	0.3
95.08587	0.4
96.80450	0.1
97.02874	0.5
107.08562	0.4
109.02887	0.1
109.10152	0.2
117.77848	0.1
121.10139	0.3
127.03883	0.2
129.05482	0.9
141.01820	0.8
145.04922	0.3
149.05945	0.1
150.03566	0.1
151.03833	0.1
153.01811	0.8
153.40578	0.1
175.03911	0.2
177.16405	0.8
195.17439	0.3
213.18440	0.3
229.05009	0.1
231.19450	0.3
258.05246	8.4
286.04712	29.6
287.05103	0.4
301.07056	100.0
302.07358	1.6
326.33813	0.1
343.07996	0.2
357.45251	0.1
463.12247	1.6
485.13818	0.1
513.03223	0.1
639.15570	10.7
640.15747	0.3
684.80798	0.1
785.21252	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.8
55.05273	0.7
55.05518	10.2
57.03446	4.2
57.07080	0.6
58.77156	0.6
61.02932	18.0
65.03932	1.5
67.05510	20.5
69.03432	4.7
69.07075	8.8
69.39038	1.1
69.39444	2.9
71.04990	2.4
73.02926	4.9
79.05496	16.6
81.03435	3.7
81.07063	20.1
83.04968	2.4
83.08631	6.8
85.02908	18.2
85.06558	1.9
91.03960	10.4
91.04895	1.2
91.05484	23.9
93.06480	1.1
93.07051	17.1
95.04983	3.9
95.08611	12.1
97.02899	11.7
97.06553	3.7
97.10168	2.2
99.04462	1.7
99.08102	0.8
103.05467	1.5
105.04556	0.7
105.07036	20.5
107.04960	3.5
107.08601	8.3
109.02870	1.0
109.06508	3.3
109.10163	5.3
111.08115	2.1
113.06000	0.6
115.03979	0.6
115.05444	2.8
116.06239	0.9
117.07022	15.6
119.04974	0.8
119.08588	11.0
121.06510	5.1
121.10159	5.7
123.04428	0.7
123.08076	2.9
123.11703	0.9
125.05955	0.5
125.09641	1.9
127.03928	4.1
127.07573	0.6
128.06233	3.6
129.05536	0.9
129.07010	19.0
129.62370	0.5
130.07831	1.0
131.04904	0.9
131.08571	24.2
131.42517	0.5
133.06522	3.8
133.10143	8.3
135.08067	3.3
135.11685	2.7
137.06061	0.8
137.09663	1.7
139.11221	0.8
141.01706	0.5
141.07004	7.1
142.07771	1.9
143.08568	16.7
145.04991	3.2
145.06488	5.1
145.10127	12.6
147.08052	4.2
147.11717	3.5
149.09596	3.1
149.13274	1.1
151.07544	0.7
151.11235	0.9
153.07018	1.5
154.07765	1.5
155.06050	0.7
155.08562	13.7
156.09274	0.9
157.06505	1.9
157.10144	10.0
159.08057	3.3
159.11703	5.8
161.06024	0.8
161.09648	2.4
161.13281	0.9
163.06071	2.5
163.11215	2.1
165.07019	1.4
166.07788	1.1
167.08571	5.7
168.09398	0.8
169.10121	9.2
171.08044	2.5
171.11710	6.8
173.09619	2.5
173.11899	0.8
173.13196	2.7
175.09698	0.6
175.11205	2.4
177.09113	0.6
177.12747	1.7
178.07838	0.7
179.08557	2.7
180.09410	0.7
181.10144	6.9
182.10947	1.2
183.08112	0.9
183.11708	7.2
185.09663	1.7
185.13257	5.7
187.07506	0.5
187.11197	2.2
187.14828	1.8
189.12840	0.8
191.08548	0.5
191.10634	0.5
193.10056	2.9
193.12094	0.5
195.11720	7.7
195.13490	0.9
197.09634	1.2
197.13277	4.0
199.11205	1.5
199.14851	2.0
201.12755	1.3
203.14325	1.5
204.90088	0.6
205.10164	1.3
207.11656	3.0
209.09564	0.7
209.13298	5.2
211.11165	1.8
211.14789	3.0
213.12834	3.0
213.16399	1.3
215.14359	2.1
217.15834	1.0
219.11720	0.8
221.13316	4.5
223.11299	0.7
223.14903	3.5
225.12778	1.9
225.16364	1.5
227.14407	1.4
229.15961	1.0
231.13837	0.7
231.17416	1.1
233.13374	0.8
233.15460	0.9
235.14861	4.0
237.16444	1.3
239.14323	3.5
239.18152	0.8
245.15495	1.1
247.14850	0.8
247.17099	0.9
249.16528	1.1
251.14420	1.0
253.15918	2.3
255.14012	0.6
255.17450	0.7
257.15341	1.7
259.16919	1.2
271.17084	2.6
285.18512	1.5
286.04666	0.6
301.07062	2.0
303.19519	0.6
305.22598	1.3
315.20941	0.6
323.23459	3.1
333.22089	6.1
341.24734	4.0
351.23190	21.8
359.26108	0.6
369.24268	19.2
387.25342	11.0
389.24487	0.9
415.28479	1.1
425.26846	7.4
433.29550	1.8
443.27957	100.0
444.28247	2.6
453.28769	0.6
461.29004	69.1
462.29431	1.5
485.28894	2.5
503.30136	2.9
527.30469	0.7
551.30170	1.1
569.31079	2.0
587.32855	2.8
605.33026	2.9
623.34357	2.6
672.07739	0.6
741.95215	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
59.04997	0.1
61.02935	0.1
68.33162	0.1
68.99831	0.1
69.03418	0.2
69.19409	0.3
69.19830	0.4
71.04997	3.0
73.02885	0.1
75.04485	0.2
83.04987	0.3
85.02906	4.7
87.04428	0.2
95.01310	0.3
97.02892	0.3
99.00819	0.1
101.02291	0.1
103.03922	0.1
111.04438	0.2
113.02362	0.1
124.67852	0.1
125.46007	0.1
127.03902	0.2
129.05479	0.8
140.85367	0.1
141.01842	1.0
142.41330	0.1
145.04947	0.3
147.06532	0.2
149.06009	0.1
151.03874	0.2
153.01802	0.7
159.02914	0.1
163.06110	0.1
175.03897	0.1
185.50906	0.1
229.04939	0.2
255.06505	0.1
258.05243	7.7
259.05807	0.1
263.56345	0.1
278.78351	0.1
286.04718	29.1
287.05035	0.4
301.07062	100.0
302.07376	1.6
343.08157	0.3
355.99191	0.1
447.12735	0.1
463.12363	1.6
639.15558	9.5
640.15833	0.3
785.21210	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	779.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
55.05513	1.1
57.03447	1.7
58.00171	0.3
59.05003	0.6
61.02931	5.3
67.05515	4.5
67.71684	0.3
69.03439	3.0
69.07082	1.3
70.01492	1.0
71.01364	0.6
71.05012	0.9
73.02923	3.7
79.05498	3.0
81.03413	2.1
81.07063	5.1
83.05010	0.6
83.08620	0.9
85.02908	5.0
85.03374	0.4
85.06552	0.4
87.04497	0.6
91.03957	3.8
91.05476	3.0
93.07052	4.0
93.97354	0.3
95.04971	0.7
95.08609	3.5
97.02910	4.9
97.06516	0.4
97.10189	0.6
99.04483	0.8
101.02382	1.4
103.03955	0.4
105.07037	1.6
107.05012	0.3
107.08575	2.1
109.02927	0.5
109.06555	0.4
109.10180	1.3
117.07002	0.6
119.08588	1.5
121.10161	2.0
123.11710	0.5
126.85391	0.3
127.03901	1.7
129.07036	0.6
131.08601	1.0
133.10135	1.4
135.11740	1.1
145.10132	0.6
147.11737	1.1
148.12149	0.3
149.09669	1.2
161.13281	0.3
168.19812	0.3
175.11302	0.5
184.07390	1.0
185.04240	0.7
193.12271	0.5
203.05338	0.4
233.11563	0.4
243.08476	2.2
267.16119	0.6
274.41614	0.3
283.15192	5.5
335.25876	0.7
339.17862	0.6
385.79407	0.4
405.38110	0.3
469.20706	0.4
501.23135	6.8
519.29376	8.5
779.45551	100.0
780.45581	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	776.479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.8
55.05518	39.4
57.03443	15.2
57.07085	2.6
59.04988	3.7
61.02926	4.0
65.03953	3.7
67.05511	100.0
68.41274	1.4
69.03436	4.9
69.07072	17.7
71.04990	3.8
71.55148	1.3
73.02901	1.7
76.67848	1.4
79.05501	49.2
81.03416	8.5
81.07064	63.1
82.59025	1.4
83.04993	6.6
83.08629	15.8
85.02909	16.2
85.06551	3.2
87.04482	6.7
91.03959	2.5
91.05489	34.0
93.07052	40.3
94.43842	1.3
95.04975	5.7
95.08614	44.6
96.08952	1.6
97.02912	7.9
97.06528	5.2
97.10184	18.2
98.20736	3.4
99.08128	1.4
105.04518	2.4
105.07035	19.2
107.04958	2.1
107.08605	26.7
109.10166	52.4
111.08116	3.3
117.07022	9.3
119.06005	1.5
119.08596	15.6
121.10152	22.1
123.08084	2.6
123.11706	5.9
125.09637	22.8
129.07060	2.3
131.08582	10.4
133.10146	10.4
135.08037	1.5
135.11711	14.8
137.09651	4.1
137.13264	1.5
139.11183	3.2
143.08546	2.8
143.10725	2.6
145.10158	9.6
146.10606	1.4
147.08044	2.0
147.11691	7.8
149.09621	3.1
149.13249	4.3
151.11166	2.6
155.10687	2.8
157.10168	2.5
159.11722	5.6
161.13266	6.1
163.11188	4.5
163.14832	2.1
165.12747	1.9
171.11679	2.8
173.09552	1.3
173.11751	12.9
173.13297	3.7
175.14772	2.3
183.11690	1.7
187.14896	3.8
191.10776	2.6
193.12352	2.1
199.13306	11.5
199.14926	2.4
201.16438	1.6
209.11777	4.3
217.14244	2.1
227.12744	7.9
229.12183	3.3
229.14369	41.4
243.21149	4.8
245.13863	2.8
247.13329	1.5
259.20630	2.1
261.22131	16.5
267.15842	4.2
277.21686	1.9
283.15479	3.2
299.23804	1.7
301.16498	21.4
315.23291	1.8
317.24750	2.8
319.17496	1.8
335.25821	75.2
336.26038	3.7
451.32678	1.6
465.21005	6.1
466.21307	6.3
477.35901	8.4
489.35876	14.2
525.35846	2.0
543.37097	6.5
561.37793	12.5
579.38898	3.4
599.18707	1.4
642.25195	1.7
678.35358	1.7
689.34882	5.5
690.35461	35.1
758.41205	5.4
776.42511	12.1
800.22925	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	776.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.3
55.05513	19.9
56.05013	1.4
56.27011	1.3
57.03442	11.8
57.07078	2.3
58.84919	1.2
59.04996	2.7
60.08159	3.3
61.02932	2.9
65.03955	2.4
67.05507	100.0
69.03440	9.1
69.07069	29.9
71.04995	41.1
71.07373	1.4
71.54171	1.3
71.54665	1.3
73.02911	2.2
79.05496	49.5
79.83633	1.4
80.57285	1.2
81.03430	13.3
81.07062	56.7
82.07399	2.2
83.04975	11.5
83.08617	12.0
85.02908	7.0
85.06549	4.9
86.09719	11.1
91.04906	1.6
91.05482	45.8
93.07046	52.0
93.07636	3.0
94.07376	1.5
95.04974	9.9
95.08613	30.9
97.02893	7.1
97.06541	16.4
97.10171	10.0
98.98429	1.8
99.04475	1.5
99.08085	3.2
102.00237	1.3
104.10751	1.5
105.07033	28.4
107.04953	7.5
107.08600	32.6
109.02888	2.6
109.06518	5.9
109.10159	67.7
110.10546	1.4
111.08094	6.6
113.09641	1.9
117.07027	11.9
119.08592	28.6
121.06492	4.4
121.10147	19.6
122.32536	1.2
123.08089	3.6
123.11715	3.0
124.99951	7.1
125.09639	6.2
126.20244	1.6
127.03899	3.0
129.05473	1.7
129.07005	4.9
130.07825	1.6
131.08574	14.6
133.06500	1.7
133.10133	21.9
135.08058	5.1
135.11705	25.2
135.47078	1.2
137.09631	15.3
141.07027	1.4
143.08569	4.3
145.06509	1.3
145.10127	17.6
147.11685	9.6
149.09605	8.4
149.13252	6.7
151.11172	2.4
153.09145	2.7
155.08577	2.5
155.10680	4.1
157.10133	3.5
159.11652	8.9
161.09587	2.6
161.13255	4.4
163.11188	10.2
165.12714	1.9
169.10074	2.3
169.12311	2.4
171.11687	5.0
173.04436	2.3
173.11763	8.3
173.13217	3.1
175.11282	1.5
177.12741	2.2
179.14299	2.5
181.12212	3.5
183.11722	1.7
184.07352	38.0
189.11212	5.2
193.12167	1.8
195.13863	3.2
197.13293	1.7
207.13843	1.4
211.13248	4.8
227.12785	16.8
229.14265	3.9
243.15945	4.3
253.14276	2.2
255.15897	7.1
257.18958	4.5
259.20575	2.8
267.15887	4.0
269.17435	7.6
275.20029	22.6
285.16965	3.8
287.18524	27.0
293.20969	2.3
331.22775	1.4
349.23697	18.0
367.24527	2.2
389.17816	1.5
403.28915	1.8
405.26694	1.9
409.25903	5.7
413.25439	4.1
413.41464	1.4
423.27524	18.5
431.27820	1.5
435.27332	18.5
437.29065	5.2
441.28186	2.6
449.28918	13.5
463.30597	2.9
465.56290	1.4
467.29999	4.9
470.11478	1.4
478.99039	1.6
481.31665	36.0
485.32529	5.9
503.33685	48.6
511.34100	1.9
517.35272	5.4
521.34528	2.3
525.35339	2.3
529.35284	25.2
535.36115	2.2
543.36804	8.3
547.36566	2.5
561.37787	26.8
579.30682	1.7
579.38623	4.1
593.33270	2.7
625.35504	1.5
726.43091	5.8
776.41046	2.1
777.39917	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	776.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48493	1.2
55.01868	5.3
55.05513	18.7
57.03230	1.2
57.03448	12.3
59.04991	2.4
60.08161	4.8
61.02920	3.7
65.03936	3.7
67.05508	100.0
69.03428	9.3
69.07069	27.7
71.04999	30.7
71.07359	4.1
71.53330	1.7
73.02906	1.5
79.05498	47.9
81.03411	11.3
81.06581	2.5
81.07063	50.7
83.04999	8.8
83.08629	14.8
85.02911	5.5
85.06551	3.3
86.09711	28.4
91.05484	41.2
93.07048	45.5
95.04978	10.4
95.08605	28.8
97.02897	5.3
97.06536	13.7
97.10161	10.2
98.98455	2.6
99.04448	1.5
99.08108	3.4
104.10777	2.3
105.07040	24.7
107.04964	6.5
107.08594	31.7
109.02901	2.5
109.06509	3.8
109.10163	60.9
111.08082	5.8
113.02465	1.1
113.09653	2.0
115.05375	1.3
117.07011	14.8
119.07800	2.0
119.08590	26.7
121.06519	4.9
121.10146	13.7
123.08069	3.2
123.11707	4.0
125.00005	18.9
125.09636	9.1
127.03935	4.1
129.07019	3.7
131.08545	10.8
133.10138	18.5
135.08072	3.3
135.11705	20.8
137.09604	15.9
138.02094	1.3
141.07019	2.0
143.08597	3.9
145.10121	14.2
147.07970	1.4
147.11678	8.1
149.09630	11.4
149.13268	6.3
151.11206	3.0
153.12766	1.4
155.08536	1.9
155.10658	4.2
157.10147	4.1
159.11687	8.6
161.09634	2.3
161.13272	3.5
163.11174	10.4
165.12715	2.1
169.10117	1.8
169.12202	2.5
171.11649	3.4
173.04474	2.5
173.11748	6.5
173.13274	4.5
173.81068	1.3
175.11136	1.8
177.12773	2.8
179.14311	2.3
181.12283	3.2
183.11789	2.1
184.07344	79.8
185.13188	2.8
187.11261	1.8
187.13272	1.6
189.11305	3.6
193.12123	2.0
195.12137	1.2
195.13873	3.7
197.13313	1.4
201.12975	1.3
211.13287	3.4
227.12779	12.1
229.14417	4.9
233.15118	1.4
239.18069	2.2
243.15862	2.5
253.14423	2.3
255.15866	10.1
257.19040	4.6
259.20563	2.7
267.15866	4.3
269.17520	6.7
271.15543	1.5
275.20074	18.6
282.53210	1.2
285.17032	2.3
287.18536	21.1
291.19540	1.7
293.21194	1.8
331.22690	2.6
333.24344	1.3
349.23685	15.1
351.25134	1.8
405.26431	1.7
407.28021	1.6
409.25827	6.5
413.25638	3.4
423.27399	20.4
425.25504	1.1
431.28244	2.0
435.27512	15.9
437.29059	4.4
441.27747	1.4
449.28979	16.8
463.30670	2.2
467.30103	4.9
481.31650	32.8
485.33051	6.2
503.33722	42.1
517.35583	6.3
521.34735	2.2
529.35309	23.3
535.35992	2.4
543.28687	1.5
543.36420	5.9
547.36414	2.3
561.37976	22.0
562.38007	1.7
567.31494	1.7
579.38654	4.5
593.33246	2.8
725.54498	1.4
726.43457	12.5
777.40521	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	775.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
55.05513	3.9
57.03441	3.0
61.02929	4.2
65.03944	0.7
67.05508	10.8
68.05826	0.8
69.03434	3.4
69.07073	3.8
70.07394	0.5
71.01364	0.7
71.04995	1.2
71.54525	0.6
73.02917	3.2
79.05499	8.9
80.05832	1.0
81.03415	3.3
81.07058	10.7
82.07395	1.0
83.04968	2.0
83.08627	1.5
85.02908	5.0
85.06559	0.9
91.03965	1.7
91.05480	7.2
92.05815	0.6
93.07045	8.3
94.07378	0.7
95.04958	2.7
95.08604	4.5
96.08977	0.5
97.02887	3.3
97.06523	1.3
97.10174	1.2
99.04462	1.0
101.02400	1.6
105.04494	0.5
105.07031	4.5
107.04966	1.1
107.08605	4.6
109.02911	0.9
109.06517	0.9
109.10142	2.1
111.08111	0.4
117.07017	1.8
119.08595	3.6
121.10172	1.8
123.08088	1.2
125.09672	0.8
127.03940	1.5
127.07549	0.4
128.06238	0.4
129.05455	0.7
129.07045	0.9
131.08591	1.6
133.06544	0.6
133.10124	3.0
135.08136	0.7
135.11714	2.0
137.09630	0.7
145.04915	0.6
145.10132	1.1
147.11687	2.7
149.09680	0.8
149.13293	1.2
149.40770	0.4
150.09828	0.4
157.10135	0.7
159.11606	0.9
159.21881	0.4
161.13301	1.3
171.11690	1.1
177.12729	0.5
185.04291	0.5
195.13846	1.0
202.42564	0.4
203.05273	0.4
229.14362	0.4
243.08498	2.7
247.13120	1.3
255.15999	0.5
259.08044	0.4
269.17493	1.9
270.17929	1.5
275.20221	0.8
281.17508	0.8
291.19595	0.6
333.20419	1.5
349.24084	0.6
389.22873	0.5
420.35767	0.4
423.27591	0.5
424.27768	0.7
427.48123	0.5
439.19623	0.9
453.21201	1.5
465.21011	8.3
469.20779	0.7
499.73260	0.5
544.37579	1.3
551.28265	5.2
677.35358	1.0
775.42371	100.0
776.42706	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	775.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
55.05521	4.3
57.03446	3.0
61.02934	4.9
67.05511	11.4
69.03421	3.3
69.07079	2.4
69.30397	4.2
71.01336	1.0
71.04974	1.3
73.02925	3.4
79.05078	0.8
79.05499	11.5
81.03417	2.8
81.07063	10.1
83.04975	2.4
83.08591	1.8
85.02910	4.8
85.06554	0.5
87.04462	0.6
91.03960	3.1
91.05478	8.6
93.06503	0.6
93.07050	11.1
94.07327	0.6
95.04963	2.8
95.08615	6.4
97.02908	5.2
97.06527	1.2
97.10157	1.0
98.20802	1.1
99.04429	0.9
101.02394	2.4
105.07035	6.3
106.07330	0.7
107.04938	1.1
107.08594	4.2
109.02850	1.2
109.06469	0.7
109.10149	4.3
111.08069	0.9
115.03927	0.6
117.07000	1.4
119.08598	4.5
121.10143	2.1
123.08064	0.6
125.09603	0.9
127.03880	1.9
129.06995	2.1
131.08614	2.3
133.10138	2.6
135.11682	1.4
137.09671	0.6
143.08545	1.5
145.04897	0.5
145.10078	1.4
147.11722	3.7
150.01176	0.5
159.11737	1.1
160.84428	0.4
161.13277	2.3
171.11679	3.4
173.13148	0.8
185.04222	1.3
189.12730	0.8
203.05331	0.7
207.13797	1.4
229.14423	1.5
243.08409	3.3
247.13075	5.0
261.22070	0.5
262.22672	0.6
273.14548	0.7
281.17557	1.3
287.16223	1.2
299.14981	3.4
300.15292	1.7
301.16449	0.9
303.15668	2.0
335.25797	5.0
336.26141	2.2
465.21024	33.5
466.21490	1.4
472.88263	0.6
509.29041	0.6
527.29834	2.0
533.27386	0.9
537.23492	0.8
551.28186	1.9
555.29510	0.8
560.36920	2.6
659.33978	2.4
677.35260	3.7
688.35455	1.1
689.35132	100.0
690.35822	4.5
757.41180	10.0
775.42139	30.6
776.42041	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
55.05512	2.5
57.03439	2.1
61.02934	4.0
65.03944	0.7
67.05511	6.5
67.05837	0.6
68.05856	0.4
69.03432	2.8
69.07076	3.5
70.01673	0.3
71.01360	0.4
71.05009	1.0
73.02921	3.1
78.81388	0.3
79.05505	7.1
80.05820	0.5
81.03424	3.4
81.07061	7.5
83.04995	1.4
83.08635	1.9
83.63495	0.3
85.02910	5.3
85.06567	0.5
87.04504	0.7
91.03974	2.0
91.04967	0.7
91.05483	6.0
93.07053	6.2
93.07623	0.3
94.07445	0.4
95.04975	2.5
95.08622	3.3
97.02895	4.0
97.06557	1.4
97.10190	0.4
99.04474	1.0
99.08152	0.4
101.02383	1.6
105.07042	4.4
107.04984	1.0
107.08614	3.2
108.08952	0.4
109.02895	0.8
109.06556	0.8
109.10177	1.4
111.08091	0.6
117.07044	1.1
119.08611	3.5
120.08939	0.3
121.06564	0.4
121.10180	1.3
123.08105	1.0
127.03967	1.7
129.07036	1.4
131.08609	1.2
133.10149	2.3
135.08171	0.3
135.11719	1.2
143.08592	0.7
145.10184	1.4
147.11702	2.8
149.09647	0.4
149.13239	0.4
157.10210	0.5
159.11708	0.9
161.13289	0.8
163.11252	0.7
171.11760	1.3
175.11256	0.4
180.73109	0.3
185.04314	0.5
193.12358	0.7
194.12727	0.5
201.10219	0.3
207.13953	0.6
211.13443	0.9
243.08443	2.6
247.13106	1.8
259.08167	0.4
267.16098	0.4
269.17584	0.4
276.20709	0.4
285.17032	0.6
301.09158	0.4
303.15878	0.7
303.19522	0.4
333.20535	2.1
389.22949	0.7
439.19528	1.0
440.98816	0.4
453.21243	0.9
465.21045	10.0
466.20996	0.4
481.80078	0.4
544.37683	0.6
551.28430	5.4
578.37524	0.5
613.36896	0.6
748.42505	0.4
749.60272	0.4
775.42426	100.0
776.42920	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	774.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.0
55.05270	1.6
55.05516	22.1
56.92570	1.0
57.03442	16.7
57.07069	2.0
61.02904	0.9
65.03930	1.4
67.05508	62.3
69.03417	3.2
69.06782	1.2
69.07076	13.2
69.29774	9.0
71.04987	3.5
74.62059	1.1
77.03921	1.9
79.05498	42.4
81.03422	81.0
81.07060	57.1
83.05015	5.3
83.08625	21.7
85.02890	2.6
85.06532	1.8
86.77079	1.0
91.05481	32.1
93.07049	46.6
95.04971	27.3
95.08613	44.9
97.02897	2.9
97.06515	3.3
97.10173	6.7
105.07041	24.6
107.04975	5.8
107.08604	26.3
109.06519	4.0
109.10160	22.5
111.04471	2.5
111.08105	7.9
113.09652	1.2
115.05470	2.1
117.07026	6.6
119.07794	1.7
119.08587	21.2
121.06507	4.9
121.10149	22.4
123.04446	2.3
123.08060	3.0
123.11713	7.9
125.09640	4.0
128.06247	1.2
129.06995	10.3
131.08578	19.6
133.06500	3.0
133.10136	16.7
135.08041	2.1
135.11713	13.6
137.05983	1.2
137.09666	2.2
137.13239	1.9
142.07805	2.4
143.08574	3.0
145.10118	11.6
147.08043	3.5
147.11691	14.8
149.09584	5.4
149.13237	7.4
151.11150	1.0
157.10124	11.7
159.11671	7.5
161.13266	5.6
163.11255	2.2
163.14818	3.0
165.12700	2.2
171.11729	2.9
173.13249	8.7
175.11220	9.4
175.14857	2.9
177.12682	1.5
185.13315	2.7
187.14828	3.9
189.11223	3.5
193.12257	25.6
199.14818	1.4
201.16435	1.1
211.13196	1.9
227.12810	5.9
233.15666	1.2
235.13341	1.6
243.21127	4.4
247.16953	1.1
249.14885	1.5
259.20673	1.1
261.22159	19.9
264.25385	1.1
267.15927	100.0
267.63184	1.1
268.16193	1.7
279.23172	1.8
301.14471	1.4
301.25223	5.8
309.16962	2.5
317.24786	2.8
317.28534	1.1
335.25806	88.8
336.26108	1.7
359.25812	1.5
373.26962	1.1
384.39923	1.1
421.25812	2.0
435.27121	2.2
435.32474	3.7
453.33585	7.2
471.34479	2.6
475.30429	1.7
498.15814	1.1
501.35794	1.3
527.37372	71.9
528.37830	2.4
545.38409	53.7
545.46826	2.7
559.39868	2.0
569.38275	2.9
577.39819	1.3
631.19049	1.4
635.38879	1.7
638.09528	1.3
653.40680	1.3
671.41852	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	774.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.2
55.05266	1.6
55.05511	23.5
56.76860	1.0
57.03442	12.4
57.07074	2.6
61.02920	3.7
65.03938	3.6
67.05509	81.4
69.03437	5.7
69.07075	20.0
69.40565	1.1
71.01359	1.3
71.05001	39.8
73.02918	1.9
77.03918	1.4
79.05499	54.0
79.36878	1.1
80.05807	1.8
81.03426	7.1
81.07063	100.0
83.04997	6.0
83.08627	14.5
85.02905	5.7
85.06544	10.2
86.09711	1.1
87.04436	1.5
91.05487	69.2
93.07052	56.1
95.04987	7.3
95.08614	36.6
96.08907	1.1
97.02885	3.3
97.06552	9.5
97.10165	5.4
99.04488	2.2
99.08074	2.8
103.05466	2.1
105.04522	2.4
105.07037	59.7
107.04967	3.1
107.08604	33.3
107.40427	1.2
109.06503	4.8
109.10168	16.5
111.08099	5.6
113.38277	1.2
115.05466	1.8
116.06239	1.4
117.07024	23.2
119.08586	44.7
121.06464	1.4
121.10147	19.0
123.08062	3.2
123.11717	13.9
125.09612	5.1
127.07508	1.4
128.06252	2.0
129.05496	1.8
129.07008	9.8
131.08580	30.0
133.10143	52.7
134.10437	1.1
135.08083	2.8
135.11703	18.7
137.09503	1.9
137.13196	1.2
139.11195	2.5
141.06993	2.0
142.07721	1.6
143.08575	12.0
144.09306	1.6
145.09056	1.8
145.10132	20.8
147.11699	26.6
149.09641	4.0
149.13264	10.4
151.11215	7.8
155.08571	3.9
156.09444	1.1
157.10138	10.0
159.11702	24.4
160.12495	1.1
160.81378	1.0
161.09587	1.3
161.13264	14.3
163.11163	2.3
165.12778	1.4
167.08540	1.5
169.10190	5.5
169.12219	1.6
171.11736	10.2
173.04523	1.4
173.13274	12.2
175.11203	2.3
175.14832	5.9
177.12682	3.0
181.10080	2.1
183.11707	4.4
183.13773	3.7
185.13255	9.3
187.11266	1.5
187.13292	4.9
187.14850	3.4
189.12813	1.7
193.12206	2.3
195.11798	1.7
195.13838	2.5
197.13229	2.3
199.14815	5.3
201.14880	3.8
201.16548	1.6
207.11777	1.3
209.13344	1.7
211.14816	2.5
213.16501	2.0
223.14941	2.4
227.16383	1.8
229.14383	1.6
231.17570	1.2
231.21111	2.9
237.16386	1.3
239.18057	1.7
241.19623	9.8
243.15939	4.3
257.17462	4.7
257.19574	1.6
259.20645	31.6
259.23383	1.5
260.20789	1.3
261.22263	1.8
269.14941	1.2
269.17392	8.1
271.20691	1.7
275.19998	3.5
285.16971	2.9
285.22021	2.4
301.20047	22.5
315.23251	7.0
333.24265	32.2
335.25769	3.6
339.22961	1.2
341.24878	2.0
345.23892	1.1
377.26968	1.6
409.31085	6.7
417.31464	1.8
435.32455	5.2
453.33640	2.4
466.21152	1.3
479.30035	1.6
483.34500	7.7
501.35757	78.5
502.35986	2.2
503.37204	4.5
509.36212	6.2
515.37018	1.4
527.37408	55.6
528.37646	2.3
533.38477	7.6
545.38361	10.2
559.40045	24.7
560.39777	1.5
671.41547	2.5
689.41986	2.8
703.45081	1.3
762.50641	1.2
774.27075	1.8
774.41052	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	774.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	8.0
55.05522	23.7
55.11109	1.9
57.03433	16.2
57.07054	3.2
61.02924	5.2
65.03942	3.5
67.05511	80.1
69.03432	12.4
69.06726	3.8
69.07073	47.0
70.06569	2.2
71.04989	8.5
71.08624	2.3
71.53604	2.8
73.02912	3.3
73.63934	2.2
75.04503	2.2
79.05499	59.7
80.76070	2.0
81.03427	18.4
81.07063	100.0
83.04981	11.7
83.08630	18.4
85.02903	9.5
85.06533	5.7
91.03977	2.2
91.05490	56.2
93.07053	64.2
95.04993	14.6
95.08611	39.7
97.02900	9.8
97.06532	14.6
97.10175	7.5
98.00040	2.7
99.08086	5.3
100.97758	1.9
105.06389	3.5
105.07040	43.2
107.04929	3.2
107.08603	34.0
109.02892	3.2
109.06522	9.3
109.10155	21.3
111.04391	2.3
111.08064	8.1
117.06997	12.7
119.08582	30.5
121.06504	7.1
121.10145	21.6
123.08073	7.4
123.11702	9.6
125.09610	4.8
127.03948	2.7
129.05481	5.5
129.06990	5.8
131.08569	17.0
133.10144	29.0
135.08060	3.3
135.11720	15.4
137.09613	8.2
143.08578	4.0
145.10123	9.6
147.08102	3.1
147.11700	25.5
149.09624	13.7
149.13260	12.8
151.11211	5.8
152.12854	2.7
157.10132	5.3
159.11716	12.3
161.13231	4.3
163.11148	3.9
165.12740	8.9
173.11775	3.5
173.13235	2.9
175.11220	3.4
177.12701	6.5
184.11011	2.2
185.13269	2.9
193.12294	3.8
195.13821	16.3
211.13197	2.7
227.12762	2.9
229.14314	6.7
241.19612	2.5
243.15935	3.4
253.14355	2.9
255.15758	4.3
259.20490	7.7
267.15903	19.3
269.17505	35.4
275.20123	11.8
285.16940	19.2
291.19495	5.5
333.24384	10.1
349.23682	15.8
365.23206	6.4
373.18439	2.5
423.27591	15.2
437.29028	4.5
447.31058	4.1
449.29047	2.9
479.30148	10.2
491.29263	2.2
543.36859	24.5
559.35901	4.0
561.38348	2.6
774.41388	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	774.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	11.4
55.05514	37.2
57.03187	1.9
57.03444	21.8
57.07070	2.0
61.02917	4.9
65.03948	5.6
67.05508	77.5
69.03430	11.7
69.07072	42.6
71.04998	10.5
73.02932	2.9
77.03914	2.0
79.05498	80.9
80.05689	1.3
81.03423	81.4
81.07061	100.0
83.04982	31.2
83.08623	37.3
83.33813	1.4
85.02909	35.3
85.06551	5.2
91.05483	85.1
93.07052	70.2
93.07536	1.1
95.04976	42.2
95.08611	43.2
97.02899	10.3
97.06533	23.1
97.10171	14.0
99.04449	2.5
99.08105	5.4
103.05446	3.1
105.04491	1.8
105.07036	62.1
107.04966	19.1
107.08606	45.0
108.08845	1.6
109.02906	3.4
109.06526	12.4
109.10169	16.6
111.04478	3.0
111.08109	17.5
113.06024	3.5
113.09686	2.6
115.05441	2.5
116.06270	1.5
117.07023	19.5
119.08595	45.0
121.06479	7.1
121.10159	29.0
123.08075	9.2
123.11718	5.5
125.09632	9.6
127.03920	5.3
128.06204	2.3
129.07014	21.7
131.08582	36.5
133.06487	4.7
133.09111	2.4
133.10135	45.2
135.08069	5.5
135.11717	14.2
137.09671	7.1
139.07568	1.7
141.06969	1.7
142.07768	4.2
143.08559	6.7
145.05064	1.6
145.10129	22.0
147.08049	4.2
147.11699	30.9
149.09634	28.6
149.13281	10.3
151.11200	4.0
153.09111	1.9
155.08440	1.8
157.10144	24.0
159.08034	1.6
159.11688	14.7
161.09714	2.0
161.13287	6.7
161.92857	1.3
163.11180	14.5
165.12733	6.3
169.10144	3.3
171.11665	3.2
173.04562	2.2
173.09541	1.9
173.13242	7.3
175.11166	17.0
175.14827	1.4
177.12735	4.5
179.14323	2.8
181.10204	1.5
183.11703	1.4
184.07364	2.2
187.11131	2.2
189.11203	7.0
191.14334	1.5
193.12254	52.5
195.13808	6.1
197.13293	2.2
211.13289	80.0
213.12788	1.2
213.14789	1.6
227.12756	15.4
229.14267	2.9
229.19518	2.2
231.13918	1.5
239.17885	6.4
249.14838	2.3
251.16351	1.6
255.15872	18.3
257.19052	13.8
267.15924	43.9
269.17490	40.3
275.20059	47.0
285.16980	77.0
289.18216	1.4
291.19415	1.6
293.21219	4.9
331.22440	3.1
349.23746	51.1
367.24750	4.7
377.19876	1.7
378.54993	1.5
387.25473	1.6
413.21820	2.6
421.25797	2.9
437.25436	4.2
439.26877	2.5
443.28076	3.8
447.27426	10.7
455.26016	3.6
461.28976	42.4
463.30740	3.1
465.28497	29.1
467.31293	3.5
479.30066	84.3
480.30429	2.6
501.31567	1.9
523.34113	3.4
531.36743	1.6
541.35181	23.8
559.36340	61.3
560.36169	2.5
577.37457	13.0
623.33801	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	774.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73087	1.4
55.01875	10.2
55.05266	2.3
55.05519	36.0
57.03442	26.0
57.07090	2.2
61.02921	4.0
65.03934	3.7
67.05513	84.9
69.03431	13.2
69.07073	38.6
70.91960	1.9
70.92299	1.9
71.04998	9.3
73.02933	2.8
79.05502	75.3
81.03426	87.7
81.07065	100.0
83.04988	26.7
83.08631	36.3
85.02913	30.7
85.06550	4.8
86.09698	2.2
87.04460	1.4
91.05494	76.9
93.07055	76.5
95.04985	36.4
95.08620	38.9
97.02899	9.3
97.06544	19.6
97.10170	11.4
99.04474	1.7
99.08110	4.1
103.05505	2.3
105.04520	2.9
105.07045	56.4
107.04980	15.9
107.08607	42.8
109.06537	10.1
109.10165	13.9
111.04450	4.7
111.08096	17.2
113.06020	2.2
115.05464	3.7
117.07031	20.3
119.08595	45.4
121.06493	7.6
121.10161	27.2
123.08078	8.0
123.11720	6.2
125.09685	8.2
127.03926	3.3
127.07574	1.9
128.06239	1.7
129.05521	2.3
129.07019	19.8
131.08589	35.7
133.06506	4.5
133.10146	34.0
135.08083	5.5
135.11711	14.9
137.09642	5.6
141.07059	2.1
142.07765	5.7
143.08611	5.1
145.06488	3.1
145.10120	20.1
147.08043	6.0
147.11699	28.8
149.09639	21.4
149.13283	12.6
151.11198	4.3
155.08551	2.9
157.06558	2.6
157.10153	21.5
159.08118	1.4
159.11722	13.5
161.09677	3.7
161.13272	3.9
163.11215	14.1
165.12755	5.1
169.10104	2.7
171.11708	4.9
173.04399	1.5
173.09610	2.2
173.13219	3.4
175.11195	18.6
177.12764	6.7
181.12244	2.3
183.02722	1.4
183.11769	2.6
184.07355	3.4
185.13284	2.5
187.11092	1.9
189.11273	2.4
193.12263	49.2
195.13837	8.6
195.84744	1.3
197.13287	2.2
199.14961	1.7
211.13303	59.6
227.12881	7.0
229.14397	1.8
229.19604	2.6
231.13976	1.3
239.17973	2.4
249.15038	1.6
255.15916	13.5
257.19058	8.1
267.15927	44.6
269.17511	41.5
275.20065	30.7
285.16998	61.7
291.19748	2.4
293.21097	2.7
301.14270	2.1
331.22748	1.7
334.63974	1.5
341.24829	1.6
349.23782	27.8
367.24756	6.0
369.24213	2.1
387.25278	1.8
413.21707	2.8
443.28134	4.4
447.27573	17.9
461.22433	2.7
461.29016	47.1
462.29364	2.1
465.28519	15.0
479.30063	96.2
480.30771	2.3
501.32074	2.0
503.29141	1.6
541.35278	25.2
543.36621	1.6
548.87415	1.6
559.36359	31.6
577.37616	6.9
587.40320	1.5
623.33820	1.9
805.05530	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	773.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.3
55.05265	2.1
55.05518	25.0
57.03188	1.6
57.03439	14.0
57.07067	4.2
61.02934	11.9
64.15581	1.2
65.03932	6.3
67.05508	80.6
69.03434	6.3
69.06723	2.1
69.07072	25.8
70.77786	2.5
71.04996	4.8
71.08638	2.3
73.02917	4.6
75.47735	1.5
77.03941	1.7
79.05499	70.1
81.03436	6.4
81.07063	86.5
83.04980	4.6
83.08642	11.4
83.75823	1.5
85.02901	11.6
85.06541	3.8
91.03957	5.2
91.05485	60.9
93.01694	1.3
93.07050	79.9
95.04976	7.1
95.08611	62.7
97.02888	9.4
97.06534	6.5
97.10173	5.7
99.04456	1.9
99.08087	2.7
101.02381	1.3
102.94074	1.2
103.05463	1.6
104.06258	1.7
105.04564	2.3
105.07039	61.9
107.04977	1.8
107.07872	2.2
107.08604	43.1
109.06532	5.0
109.10168	25.9
109.10912	1.7
111.08070	2.0
115.05468	4.7
117.07023	26.9
119.08590	60.3
119.09461	3.3
121.06512	1.5
121.10149	34.7
123.08052	3.9
123.11691	7.5
125.09711	1.4
127.03918	1.8
128.06230	4.3
129.07027	15.9
130.07761	1.7
131.08580	34.7
133.10143	41.1
135.08032	3.9
135.11693	26.7
137.09647	2.8
137.13313	2.2
141.06998	4.5
142.07845	2.9
143.08577	13.8
145.06425	1.7
145.10130	31.7
147.07980	1.8
147.11702	36.9
148.11934	1.4
149.09544	2.7
149.13264	14.2
151.11186	1.9
155.08574	7.9
157.10150	16.3
159.08025	2.0
159.11702	27.9
161.09679	2.4
161.13254	25.9
163.11166	2.2
163.14839	6.8
167.08595	3.1
169.10147	6.0
171.11711	23.1
173.09657	1.8
173.13284	18.8
175.14850	14.9
177.12740	2.0
179.14316	1.6
181.10170	4.3
183.11650	8.8
185.13277	16.0
186.52798	1.3
187.14796	7.0
189.12775	2.5
189.16399	3.2
195.08086	1.5
195.11729	3.2
197.13286	6.3
199.14867	8.3
201.12862	1.9
201.16414	5.3
209.13268	3.9
211.11205	2.3
211.14870	2.8
213.16412	4.9
215.18008	3.5
217.19444	1.6
225.16344	1.7
229.19508	3.5
231.21104	5.6
239.17915	3.7
241.19563	24.0
243.21129	4.2
251.17926	1.4
253.19481	1.7
257.19067	6.4
259.20596	49.4
261.22104	12.1
271.20547	2.1
275.20074	2.4
285.22147	2.4
301.21594	2.9
311.23581	1.5
315.23209	2.8
325.21426	2.2
331.22733	2.8
333.24240	34.2
335.25821	69.9
337.27496	3.0
339.23126	1.9
345.24115	1.8
349.21344	2.0
351.25320	1.6
367.22699	5.9
385.23569	3.4
403.24799	1.9
495.29547	1.5
519.42065	5.8
529.38904	3.0
537.42773	4.0
593.45795	11.0
609.44513	2.9
611.46729	100.0
612.46399	2.6
623.46484	1.7
635.46649	3.2
689.47510	1.8
701.47357	3.1
719.48212	5.0
737.49261	3.7
755.49988	4.2
773.52032	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	773.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.2
55.05275	1.7
55.05513	23.9
56.30924	1.5
57.03437	12.0
57.07056	4.7
61.02935	11.4
65.03934	3.3
67.05508	77.3
69.03439	7.5
69.06741	1.7
69.07080	20.7
69.59525	7.1
69.59936	2.5
71.01337	1.9
71.04993	5.3
72.16518	1.4
73.02898	5.0
79.05498	65.5
80.05800	1.8
81.03413	7.0
81.07063	73.4
83.04963	4.6
83.08633	10.7
85.02914	9.0
85.06530	5.1
89.45362	1.4
91.03945	4.2
91.04917	1.9
91.05489	57.2
93.07052	73.2
94.07372	2.5
95.04963	8.4
95.08617	59.6
97.02897	7.8
97.06505	5.8
97.10176	5.3
99.04465	1.8
99.08082	2.8
101.02396	2.3
103.05472	2.3
105.07040	48.9
106.07316	1.8
107.04967	2.1
107.08608	40.4
109.02890	4.0
109.06509	2.6
109.10175	25.0
111.08077	2.4
115.05492	1.6
117.07033	22.0
119.08594	47.3
121.09344	2.0
121.10149	24.7
123.08117	3.2
123.11697	6.6
125.09657	2.3
128.06230	2.5
128.22444	1.8
129.07002	10.6
131.08580	29.7
132.08910	2.8
133.10149	36.6
135.08035	3.2
135.11707	21.0
137.09599	2.2
137.13280	1.8
139.11197	1.5
139.85118	1.8
141.07013	1.9
142.07796	2.1
143.08559	15.1
145.10130	26.5
147.11702	29.9
149.13286	10.4
151.11278	1.7
155.08565	6.3
157.10147	15.5
159.08057	2.2
159.11719	23.0
161.09631	2.8
161.13272	23.2
163.11163	2.9
163.14813	6.2
167.08565	3.3
169.10147	8.4
171.08051	1.6
171.11658	14.0
173.13249	20.2
175.11270	3.1
175.14861	12.3
177.12701	2.3
177.16478	1.7
179.14226	3.0
181.10130	4.0
183.11702	6.9
185.09676	1.8
185.13287	11.1
187.11078	1.8
187.14836	5.6
189.12798	1.7
189.70889	1.5
191.14375	2.0
194.10942	1.6
195.11780	2.0
197.13269	4.6
199.11609	1.6
199.14857	8.6
201.16318	2.5
209.13255	3.2
211.14803	4.7
213.16376	3.8
215.18033	2.0
217.15948	2.0
225.16310	1.9
231.21091	5.5
239.18127	1.6
241.19577	18.6
243.21132	3.5
257.19046	7.1
259.20596	41.2
261.22241	7.7
271.20529	4.1
273.21906	2.6
275.20020	3.6
277.21628	2.4
283.20209	2.2
289.21518	1.7
301.21478	3.7
313.21539	1.8
315.23206	3.3
325.21609	3.8
331.22607	2.9
333.24280	34.9
335.25818	78.3
337.27042	2.6
344.68069	1.5
351.25543	1.8
353.28467	2.2
367.22672	4.5
385.23721	2.2
403.24539	2.1
441.26318	2.1
459.28043	2.2
477.28329	2.0
519.41565	4.5
542.39722	2.1
553.06085	1.7
593.45453	10.9
609.44775	5.4
611.46729	100.0
612.46875	3.3
623.46149	3.3
647.46179	2.9
671.48004	1.7
677.47455	2.6
689.48486	2.2
701.47327	7.0
719.48438	5.1
737.49622	5.2
755.50555	5.9
773.52496	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	773.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
55.05532	2.9
57.03450	2.9
57.07048	0.7
61.02935	4.5
65.03946	0.7
67.05508	10.9
68.05836	0.8
69.03426	2.3
69.07079	3.8
69.37252	1.1
69.37647	3.6
71.01355	0.7
71.04998	1.8
73.02918	2.7
79.05500	9.4
80.05818	0.8
81.03419	3.2
81.07064	8.3
82.07416	1.3
83.04999	2.5
83.08623	1.7
83.99433	0.6
85.02909	3.9
88.18516	0.5
91.03959	1.7
91.05492	8.7
92.05850	1.1
93.07050	8.2
94.07413	0.8
95.04973	2.6
95.08615	6.1
97.02910	3.5
97.06557	1.2
97.10183	0.6
97.62841	0.6
99.04480	0.7
101.02392	1.2
101.28989	0.7
105.03520	0.5
105.04485	0.6
105.07028	6.6
106.07362	1.2
107.04971	1.5
107.08598	4.4
109.02917	0.9
109.06503	1.5
109.10183	2.5
117.07030	2.3
119.08593	4.3
120.08931	1.1
121.06536	0.8
121.10152	1.3
122.44125	0.6
122.54482	0.7
123.08054	1.0
123.08876	0.6
123.11796	0.6
127.03953	1.4
129.05495	0.7
129.07021	2.5
131.08632	1.8
133.10133	2.9
135.11708	1.5
143.08650	1.1
145.10153	2.5
147.11682	3.3
148.12044	0.7
151.11171	1.0
159.11656	1.4
161.13260	1.2
171.11740	1.9
180.59570	0.6
193.12289	1.4
207.13889	1.1
208.14236	0.9
235.84065	0.7
243.08527	2.1
247.13206	1.7
261.21777	0.6
269.17685	0.6
275.20090	1.2
276.20456	1.0
281.17462	1.5
299.15009	1.7
313.17746	0.9
331.18942	1.8
335.25894	1.7
451.19534	1.1
465.21039	9.5
473.44528	0.6
477.31552	0.6
531.25885	2.0
540.38232	0.9
544.37170	2.3
545.38812	0.8
549.26874	2.1
555.88293	0.7
576.39319	0.9
611.44879	0.9
675.33582	2.3
755.39612	7.5
773.40747	100.0
774.41437	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	11.4
55.05513	37.3
57.03440	17.5
61.02920	4.6
65.03945	6.8
67.05508	84.1
69.03423	11.9
69.07076	31.2
69.30219	29.2
70.06570	4.5
71.04977	13.3
72.84663	4.6
79.05497	69.4
81.03426	75.0
81.07060	90.3
83.04987	23.2
83.08626	32.6
85.02897	13.9
85.06527	7.6
91.05485	85.2
93.07047	67.5
95.04967	37.8
95.08610	36.2
97.02892	10.0
97.06525	11.3
97.10160	17.0
100.63860	3.4
105.06384	6.4
105.07041	67.1
107.04961	24.0
107.07959	5.5
107.08607	51.7
109.02888	4.7
109.06516	15.1
109.10163	38.7
110.66724	3.2
111.04444	5.2
111.08088	11.3
113.06020	4.1
117.07026	13.6
119.08588	42.8
121.06498	12.5
121.10171	23.7
123.08085	7.5
123.11698	8.1
124.12106	3.5
124.22691	3.2
125.09618	11.5
129.07034	22.2
131.08588	25.1
133.06522	7.8
133.10139	56.4
135.08046	14.6
135.11694	12.1
137.09641	6.2
138.54819	3.2
142.07841	3.2
143.08585	5.7
145.06459	6.0
145.10109	16.5
147.08072	11.3
147.11693	23.7
149.09625	14.1
149.13226	5.4
151.11209	16.6
157.10173	22.3
159.11702	11.5
161.09676	6.2
161.13307	5.3
163.11191	10.9
165.12712	4.3
173.09760	3.3
175.11206	14.2
184.07288	4.5
185.13315	6.6
189.11223	7.3
193.12225	29.4
196.34993	3.2
198.14825	6.5
211.13295	27.9
219.13922	3.5
223.13344	8.9
227.12813	12.0
245.19008	6.5
253.14325	32.1
255.10188	3.2
263.20282	3.5
267.15952	53.8
269.17441	6.4
273.18527	19.3
275.20032	10.0
283.15405	14.2
285.16956	35.4
287.05493	6.7
288.05853	6.8
290.19696	3.5
291.19550	84.6
309.20374	5.1
313.21600	4.3
347.22290	8.3
349.23569	8.9
365.23260	51.3
371.73572	3.7
376.64154	3.7
389.21777	3.7
445.25528	6.3
459.27295	6.4
463.26883	16.4
477.28580	14.6
481.27826	10.1
496.27759	3.5
539.33600	10.7
557.34741	100.0
575.27423	5.0
575.35852	68.5
610.43237	7.8
753.15265	3.6
772.48834	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	772.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31557	0.7
55.01878	7.9
55.05510	19.6
57.03226	0.8
57.03445	8.3
60.07463	0.8
61.02921	1.1
65.03943	2.2
67.05507	41.6
68.05838	0.8
69.03435	4.6
69.07071	25.1
69.07458	1.2
71.04986	4.7
71.54031	1.3
73.02911	1.8
77.03920	1.1
77.24593	0.8
79.05495	47.4
79.94500	0.7
80.18036	0.8
81.03423	7.7
81.07059	40.3
83.04992	6.9
83.08624	15.5
84.05506	0.9
85.02908	2.5
85.06541	1.3
91.04910	1.0
91.05486	29.5
93.07047	60.9
95.04974	11.8
95.08611	51.0
95.09241	1.5
96.08957	0.9
97.02886	6.2
97.06541	11.9
97.10173	8.3
99.04469	3.3
99.08093	1.6
103.05447	1.0
105.04587	1.3
105.07035	25.7
107.04965	13.3
107.08595	43.4
109.02888	1.0
109.06533	4.8
109.10162	10.2
111.04473	2.5
111.08086	4.4
113.06030	0.8
113.09638	1.1
115.05488	1.6
117.07018	16.7
119.08587	22.6
120.05731	0.7
121.06510	9.9
121.10136	18.6
123.08073	3.2
123.11698	2.5
123.63925	0.8
125.05976	2.4
125.09626	7.8
127.03934	1.5
128.06207	1.1
129.06999	3.1
130.07799	3.2
131.08562	10.8
133.06468	1.0
133.10129	15.4
135.08060	5.0
135.11696	54.1
137.09636	1.6
137.13228	1.0
139.07553	2.5
141.06993	1.2
143.08572	3.2
143.68617	0.9
145.06516	0.8
145.10132	40.5
147.11679	6.3
149.09616	9.5
149.13243	3.7
149.76398	0.7
151.11171	0.9
155.08568	1.3
157.10165	2.8
159.08138	0.9
159.11716	6.8
161.09731	1.0
161.13297	2.7
163.11186	68.9
169.10127	1.7
170.26321	0.9
171.10155	1.3
171.11650	2.2
173.09634	2.1
173.11932	1.1
173.13275	4.1
175.11198	1.1
177.12778	2.3
177.88516	0.7
179.14369	2.2
181.12219	11.5
183.11717	1.4
185.13214	1.6
187.11131	1.2
187.14839	0.9
189.11160	3.7
195.13922	1.3
209.11783	3.0
211.69301	0.8
227.12788	100.0
228.13148	1.0
229.14282	0.9
229.19528	1.3
239.18036	1.6
247.20850	1.1
247.81819	0.9
253.14238	1.2
255.15816	5.4
257.18985	7.5
267.15790	3.7
269.17474	14.3
275.20093	24.2
283.15411	65.1
284.15732	1.1
287.05463	2.2
288.06107	1.7
291.19507	2.3
293.21140	1.9
298.05319	1.0
321.24533	1.1
331.22690	3.1
349.23752	36.9
353.16104	1.1
365.23196	1.2
367.24765	2.2
379.21158	1.7
389.18106	1.0
413.21698	0.8
437.25406	2.8
453.24582	5.4
459.26981	1.1
461.29047	2.1
463.26962	13.8
477.28500	52.3
478.28867	1.5
517.31506	1.1
539.33563	1.4
557.34753	59.0
558.34552	1.7
575.35852	9.9
621.32166	1.8
780.31104	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	9.7
55.05515	31.3
57.03437	21.8
59.05003	28.1
61.02918	2.7
65.47330	2.1
67.05508	83.7
69.03421	7.7
69.07072	14.7
69.35452	4.8
69.35867	11.2
71.01335	2.0
71.04993	20.6
74.27381	1.9
79.05063	3.8
79.05492	45.3
81.03421	100.0
81.07059	51.5
83.04988	17.8
83.08626	32.3
85.02897	10.5
85.06523	7.2
87.04467	28.7
91.05486	46.7
93.07049	34.8
95.04977	35.7
95.08617	24.7
97.02885	8.0
97.06524	10.7
97.10164	19.7
99.04467	10.2
105.06385	2.9
105.07037	33.9
107.04967	20.4
107.08604	23.8
109.02895	2.6
109.06520	11.6
109.09468	3.7
109.10162	48.0
111.04438	11.3
111.08094	14.4
117.07044	10.1
119.04906	2.3
119.08577	29.8
121.02894	2.6
121.06533	10.3
121.10152	24.9
123.04433	6.4
123.08058	5.3
125.05991	3.2
125.09633	17.1
127.03941	3.6
128.06258	2.9
129.07004	21.3
130.76283	2.1
131.04855	4.1
131.08583	21.8
133.06482	9.2
133.10136	14.6
135.04414	6.0
135.08032	6.7
135.11685	9.5
137.05954	6.0
137.09613	5.5
139.11142	2.6
141.06941	3.3
142.07806	3.2
143.08572	5.7
145.06444	2.5
145.10115	12.0
147.08047	5.7
147.11707	18.7
149.05984	3.4
149.09663	17.4
151.11234	2.6
153.09077	4.5
153.12781	9.8
155.08594	3.3
155.10687	3.1
157.10110	17.0
159.08060	2.7
159.11761	4.2
161.05959	6.8
161.09656	3.3
163.11195	14.5
165.12749	3.7
167.10616	3.2
173.09621	3.4
173.11743	8.4
175.11174	17.3
181.12251	9.5
185.13275	3.6
187.11253	3.2
189.09566	1.9
189.11165	10.1
189.12708	2.2
191.10646	8.2
193.12253	56.6
199.13297	7.0
201.12799	2.6
203.14337	3.3
209.11749	11.7
211.13286	51.5
213.12674	3.1
219.13777	2.4
225.14832	11.7
227.12791	16.7
229.12126	3.3
229.14319	38.2
231.13780	6.4
235.13188	4.7
247.13283	8.0
249.14886	17.5
267.15930	63.8
273.14697	3.3
283.15350	15.3
285.17120	2.1
287.05487	8.9
288.05652	5.5
299.18338	2.3
301.14117	2.3
315.18008	5.6
333.19104	2.2
337.21634	5.5
347.20132	2.6
355.22617	6.6
365.21054	12.2
373.23779	4.9
383.22165	24.8
397.23248	1.9
401.23196	21.6
415.24905	6.1
421.25992	27.5
433.25790	10.0
447.27286	6.2
449.26135	2.1
457.25861	9.8
475.26990	24.2
489.28345	4.7
493.28104	11.4
507.29575	28.7
525.30707	13.1
565.28986	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	771.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	10.0
55.05511	31.0
55.09284	3.3
57.03427	12.9
57.07077	3.7
60.12733	2.8
61.02920	7.5
65.03945	6.3
65.16111	3.3
67.05505	100.0
69.03432	30.7
69.07069	35.7
71.04987	12.3
71.53778	3.3
73.02924	4.1
79.05491	84.0
81.03416	49.2
81.07056	92.1
83.04973	13.3
83.08624	16.8
85.02901	16.9
85.06524	5.7
91.05480	75.9
91.06021	6.2
93.07047	90.6
95.04963	14.0
95.08604	65.3
95.13042	3.4
97.02890	17.0
97.06522	11.8
97.10179	8.3
99.04470	6.8
99.08096	4.1
99.58635	3.2
105.07026	57.6
107.04944	10.5
107.08599	51.1
109.02879	11.5
109.06509	11.3
109.10171	33.4
111.04457	5.1
111.08085	9.0
115.05415	4.7
117.07018	27.7
119.08578	51.3
121.06470	7.4
121.10144	42.4
123.08080	13.1
123.11712	7.6
125.09611	8.5
127.03931	13.0
128.06218	5.7
129.05484	8.3
129.07004	19.8
131.08586	43.9
133.10133	38.5
135.08093	9.5
135.11690	22.2
137.09676	3.7
141.06953	7.0
143.08574	15.8
145.06548	5.0
145.09024	4.9
145.10107	39.9
147.08054	8.4
147.11703	22.8
149.09633	9.3
149.13213	11.3
151.11218	4.2
155.08556	8.6
157.10147	18.0
159.08080	3.6
159.11699	29.5
161.09692	4.0
161.13242	14.6
163.11211	6.6
165.09238	4.5
165.12790	3.1
167.08641	4.9
169.10161	8.0
171.11690	17.3
173.04411	17.1
173.09589	4.7
173.11909	4.0
173.13304	13.9
175.11256	3.6
175.14871	4.8
177.12794	3.3
179.14330	5.9
183.11717	12.5
185.13237	7.6
187.11264	5.7
187.14824	5.8
189.11249	3.4
195.11667	5.6
197.13235	9.2
199.11438	4.3
199.14880	6.6
211.14954	5.2
213.12769	3.4
229.19508	10.3
235.14914	3.2
239.18083	8.1
241.10748	7.0
247.20561	8.6
257.19009	24.3
261.22037	4.8
275.20059	67.6
293.21021	3.4
313.21738	4.6
331.22583	5.3
335.25775	50.0
349.23773	30.0
369.24380	4.0
383.22369	4.6
419.24240	6.8
475.27463	3.8
489.35788	4.6
515.37872	3.7
529.39343	5.2
591.43713	3.5
609.45068	79.6
627.46484	6.9
651.45459	5.1
657.14478	3.7
735.48206	7.7
753.48724	10.9
771.50287	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	771.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91891	0.4
55.01801	1.4
55.02039	0.5
55.05441	9.2
55.05739	1.4
57.03364	3.7
57.03662	1.0
57.06999	1.4
57.07268	0.5
61.02851	13.2
61.03197	1.6
65.03871	1.3
67.05422	19.1
67.06009	0.7
68.05766	0.5
69.03346	6.7
69.06985	8.1
71.01290	0.8
71.04907	1.8
71.05245	0.5
73.02832	6.9
74.37235	0.4
77.03864	0.5
79.05405	13.1
79.05905	0.8
81.03415	4.4
81.06967	19.0
81.07497	1.6
83.04883	2.0
83.08531	4.9
85.02901	10.3
85.06498	1.0
91.03951	5.6
91.05475	12.0
93.07040	14.2
93.07579	0.5
95.04872	1.7
95.08605	16.0
95.09155	0.9
97.02892	9.7
97.06422	1.6
97.10166	2.3
98.20753	1.6
99.04342	1.1
99.08020	1.0
101.02276	1.5
103.05383	0.7
105.07026	12.4
107.04837	1.4
107.08591	10.1
109.02790	0.9
109.06420	1.3
109.10150	7.0
111.04405	0.5
111.08024	1.0
115.03882	1.1
115.05401	1.1
116.06205	0.7
117.07017	7.7
119.08584	12.3
119.09388	0.4
121.06429	0.7
121.10127	5.6
123.07952	1.7
123.11710	2.1
125.09575	0.9
127.03889	2.1
128.06245	2.2
129.05385	0.6
129.06999	9.3
130.07744	0.9
131.08560	12.5
133.10130	8.1
135.07948	1.3
135.11684	4.5
136.92960	0.4
137.09489	0.9
137.13184	0.6
141.06995	5.2
142.07773	2.6
143.08546	12.3
144.09076	0.5
145.04915	0.7
145.10110	11.8
146.10516	0.5
147.07967	0.7
147.11682	4.3
149.09497	0.6
149.13245	2.2
153.06952	1.1
154.07729	0.9
155.08540	9.2
156.09233	1.9
157.10121	10.7
158.10655	0.6
159.11690	8.1
161.13242	2.5
163.11096	0.6
163.14742	0.7
165.06897	1.3
166.07663	0.7
167.08543	4.4
168.09210	1.3
169.08794	0.7
169.10129	10.6
170.10808	0.8
171.11679	9.8
172.12180	0.6
173.13246	4.9
175.11119	0.7
175.14684	1.9
177.16214	0.5
178.07632	0.5
179.08545	2.2
180.09198	0.9
181.10109	6.9
182.10847	1.1
183.11676	11.4
184.12181	0.5
185.09615	0.5
185.11624	0.5
185.13240	7.4
187.14821	2.8
189.16284	1.2
191.08481	1.0
192.09299	0.5
193.10083	2.3
194.10741	1.1
195.11668	6.9
196.12329	0.8
197.11510	0.6
197.13261	9.2
199.13182	0.6
199.14789	4.1
201.12596	0.5
201.16277	1.6
203.17838	0.8
205.10031	1.1
207.11702	4.1
209.13268	5.9
211.14833	6.1
213.12733	0.5
213.16455	2.9
215.17903	0.9
217.15784	0.6
219.11581	1.2
221.13234	3.3
223.14844	4.8
225.16441	3.9
227.17848	1.9
233.13136	1.4
235.14851	2.2
237.16402	3.6
239.17894	2.4
241.19441	1.4
247.14767	0.8
249.16283	1.7
251.17911	2.3
253.19452	1.4
255.17323	0.7
255.21082	1.0
261.16339	1.0
263.17862	0.9
265.19531	0.8
271.20496	0.6
277.19604	0.5
279.20941	0.7
283.20630	0.5
285.22037	0.6
287.05496	1.4
293.22339	0.7
297.21970	0.7
299.20029	0.5
307.20264	0.7
309.22037	1.0
313.21658	0.7
321.22018	0.9
323.23441	0.8
325.21634	0.5
325.25174	0.7
337.25150	1.5
339.23141	0.8
349.25183	1.2
351.26855	1.1
353.24533	0.6
363.26682	0.6
365.24460	0.8
365.28503	0.7
377.28259	0.7
393.27332	0.7
400.26846	0.5
405.31641	0.6
409.31146	0.8
419.29022	0.6
421.30930	0.6
447.32388	1.0
461.33582	0.8
473.32614	0.5
475.35101	1.1
485.32632	0.7
487.34134	0.5
499.39279	1.5
501.35461	0.8
511.34317	0.5
513.35602	0.6
517.40454	6.3
521.36200	0.7
525.35760	0.9
527.37598	1.1
535.41626	3.7
539.37537	1.5
540.38251	0.6
541.38989	1.1
553.40875	0.6
555.41010	0.7
565.41400	0.8
573.43286	0.8
591.43903	7.5
607.43549	1.9
609.45087	100.0
610.45355	5.3
611.46899	0.6
621.45233	1.3
633.45099	0.9
651.46063	1.4
675.46277	0.9
699.46234	1.5
717.47394	2.1
735.48230	2.1
742.46771	0.5
753.49054	2.4
771.36041	1.1
771.50311	21.6
772.50427	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
67.01850	0.2
68.99490	0.1
68.99810	0.3
69.03432	0.3
70.83479	0.1
70.83795	0.2
71.01360	0.1
71.04993	3.4
73.02930	0.1
75.04475	0.1
83.04966	0.3
85.02907	4.3
85.03429	0.2
86.45299	0.1
95.01309	0.3
97.02885	0.3
111.00830	0.1
111.04433	0.3
113.02412	0.1
117.03398	0.1
127.03909	0.3
129.05467	0.7
135.04413	1.0
137.02353	0.4
141.01833	0.9
145.04924	0.2
147.06517	0.2
153.01831	3.6
159.02945	0.2
161.02394	0.4
163.06010	0.2
171.02895	0.3
179.03410	0.3
203.03418	0.1
219.06615	0.1
231.06699	0.1
241.04921	0.5
245.04463	0.2
250.99062	0.1
259.06049	0.1
263.05539	0.1
269.04434	0.3
287.05496	100.0
288.05850	1.6
329.06604	0.1
375.88089	0.1
431.10336	0.1
433.11264	0.1
449.10889	1.4
491.50977	0.1
625.13977	8.8
626.14105	0.2
771.19153	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2347
Annotation	Kaempferol 4'-methyl ether 3-(2Glc-glucosylrutinoside)
Peak:m/z	Relative Intensity
55.01870	0.2
57.03440	0.8
61.02909	0.2
67.01878	0.1
67.05500	0.1
68.99802	0.1
69.03414	0.4
69.26812	0.4
69.27240	0.4
71.04997	4.0
73.02894	0.1
75.04475	0.2
81.03434	0.2
81.07043	0.2
83.04954	0.3
84.33821	0.1
85.02910	6.0
87.04458	0.1
97.01085	0.1
97.02901	0.7
99.04417	0.2
103.03939	0.2
107.08552	0.1
109.02888	0.2
111.04442	0.3
117.03366	0.3
127.03077	0.1
127.03934	1.4
129.05489	1.3
142.03307	0.1
145.02875	0.6
145.04977	0.5
147.06514	0.3
149.06000	0.2
153.01836	0.8
158.02660	0.3
171.02875	0.1
175.03902	0.2
176.03766	0.1
177.05464	1.3
192.89221	0.1
193.06468	0.2
219.10164	0.2
229.04907	0.1
236.01329	0.1
255.06425	0.1
258.05246	7.7
259.05872	0.1
269.17267	0.1
286.04730	30.5
287.05368	1.5
288.16650	0.1
301.07068	100.0
302.04504	0.1
302.07446	1.9
302.10880	0.1
315.05286	0.1
317.06497	0.2
321.09833	0.1
331.08185	0.5
343.08212	0.4
367.08075	0.1
411.10916	0.2
445.11264	0.1
447.13095	0.1
461.23196	0.2
462.23456	0.3
463.12375	4.0
483.14896	0.2
486.18069	0.1
573.26929	0.1
609.18152	0.2
609.28137	0.2
625.17651	5.7
626.18158	0.3
671.37628	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	771.504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01816	0.9
55.02064	0.6
55.05437	7.6
55.05735	1.3
55.09007	0.4
57.03358	3.6
57.03664	0.7
57.06994	1.2
59.04943	0.5
61.02848	12.7
61.03196	1.9
65.03868	1.1
66.61063	0.3
67.05419	17.9
67.05817	2.2
69.03342	6.5
69.06981	8.7
69.07399	1.0
69.15223	3.1
71.01295	0.8
71.01656	0.4
71.04931	1.0
71.05270	0.4
71.08575	0.4
73.02831	7.0
77.03874	0.4
79.02298	0.3
79.05402	11.0
79.05901	0.8
81.03317	2.6
81.06966	16.0
81.07494	1.3
83.04895	1.1
83.08530	4.4
83.09066	0.8
84.49212	0.4
85.02811	10.3
85.03362	0.8
85.06445	1.1
87.04389	0.5
91.03861	5.9
91.05385	11.5
93.07049	12.4
93.07587	0.7
95.04882	1.4
95.08610	15.0
95.09158	0.9
97.02900	9.6
97.03475	0.7
97.06515	1.8
97.10182	2.4
99.04362	1.2
99.08041	0.7
101.02393	2.0
103.05402	0.4
105.04438	0.6
105.07037	11.2
107.04900	0.9
107.08599	9.3
109.02753	1.3
109.06448	0.6
109.10160	6.2
111.08022	0.9
115.03822	0.8
115.05338	1.1
117.07027	7.2
118.31775	0.4
119.08588	10.3
119.09365	0.4
121.10159	5.5
123.07974	1.0
123.11732	1.9
125.09586	0.8
127.03928	2.0
127.07509	0.4
128.06224	2.1
129.05426	0.6
129.07011	8.1
130.07739	0.8
131.08580	10.0
133.10149	8.9
133.11090	0.7
135.07974	0.5
135.11694	4.3
137.09544	0.6
137.13197	0.7
141.07010	4.0
142.07805	2.0
143.08572	10.2
144.09209	0.4
145.04865	0.8
145.10126	10.6
147.11702	4.8
149.09508	0.7
149.13283	1.9
151.11102	0.6
153.06865	1.5
154.07715	1.0
155.05931	0.4
155.08554	8.9
156.09190	0.8
157.10141	10.9
158.10751	0.4
159.11694	7.3
161.13257	2.9
163.10957	0.4
163.14793	0.7
165.06903	1.0
166.07733	0.5
167.08577	3.5
168.09235	1.2
169.10138	11.4
170.10759	0.6
171.11700	9.4
172.12294	0.4
173.09517	0.5
173.13290	4.7
175.11107	0.8
175.14851	2.4
177.12685	0.5
177.16324	0.3
179.08595	1.8
180.09305	0.4
181.08742	0.5
181.10115	6.9
182.10774	1.1
183.11705	11.2
184.12439	0.5
185.13274	6.8
187.14778	2.2
189.16341	1.2
191.08565	0.6
193.10161	1.8
193.25415	0.4
194.10796	0.6
195.07835	0.4
195.11697	6.0
196.12428	0.9
197.13261	8.8
199.14833	4.5
201.16296	1.3
203.17926	0.4
205.09987	0.7
207.11739	3.3
207.20900	0.3
208.12428	0.7
209.13281	5.4
211.11333	0.4
211.13057	0.5
211.14812	5.8
213.16422	2.7
215.17819	0.8
217.10048	0.5
219.11642	0.8
220.12419	0.4
221.13342	2.0
223.14807	4.5
225.16441	3.9
226.16646	0.4
227.18127	2.1
229.19458	0.6
233.13235	0.9
235.14746	1.7
237.16364	2.6
239.18027	2.1
241.19470	1.0
245.13080	0.4
245.19147	0.4
247.14832	0.9
249.16386	1.8
251.17908	1.9
253.19467	1.3
257.18918	0.6
259.20401	0.4
261.16162	0.4
263.17886	0.9
265.19482	1.4
267.21082	0.8
269.18970	0.4
271.16913	0.4
271.20251	0.4
273.22122	0.4
275.20093	0.5
279.21082	0.5
283.20480	0.9
285.21988	0.5
291.20895	0.6
295.20432	0.6
297.22058	0.9
305.22629	0.8
307.20282	0.5
309.22034	0.7
311.20197	0.4
311.23563	0.4
313.25165	0.5
321.22046	0.9
323.23569	0.7
325.25229	0.7
335.23526	1.3
337.25183	1.1
339.23090	0.7
339.26639	0.5
349.24948	0.5
351.26797	1.5
355.26453	0.4
361.25357	0.5
363.26938	0.5
365.24380	0.5
365.28302	1.0
367.26324	0.4
375.26718	0.4
377.28378	1.0
379.30139	0.8
391.29880	0.6
393.27521	0.7
393.31888	0.6
407.28961	0.5
429.31061	0.5
431.33121	0.5
433.30664	0.4
447.32361	1.0
449.33981	0.5
461.33649	0.5
471.31039	0.6
473.33966	0.4
475.34616	0.8
487.34363	0.5
495.34393	0.7
499.33377	0.5
499.39685	1.1
501.35806	1.0
511.34378	0.5
513.35712	0.7
515.37048	0.6
517.40417	5.4
521.36371	0.4
523.38251	0.4
527.37274	0.8
535.41650	3.0
539.37628	1.7
541.38971	1.0
553.39185	0.6
573.42627	0.8
591.44006	6.8
607.43616	1.5
609.45172	100.0
610.45398	3.6
611.46515	1.0
621.45776	0.8
633.44604	0.5
651.46069	1.0
699.46283	0.7
717.46655	0.7
735.48645	1.5
753.49445	1.6
771.50439	21.0
772.50861	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.1
57.03441	0.5
67.01859	0.3
68.99493	0.1
68.99815	0.3
69.03426	0.2
69.88207	0.4
71.01334	0.1
71.05000	3.2
73.02898	0.1
75.04467	0.2
83.04995	0.2
83.45304	0.1
85.02911	4.6
87.04462	0.1
89.03947	0.1
95.01325	0.3
97.02879	0.2
98.21476	0.1
109.02892	0.1
111.04423	0.3
113.02409	0.1
117.03340	0.1
127.03903	0.2
129.05473	0.7
135.04425	0.9
137.02345	0.4
141.01822	1.0
145.04947	0.3
147.06473	0.2
153.01840	3.3
159.02861	0.1
161.02359	0.6
166.30138	0.1
171.02881	0.3
179.03342	0.3
219.06528	0.1
241.04956	0.4
245.04393	0.1
263.05505	0.2
269.04431	0.3
287.05508	100.0
288.05862	1.8
329.06531	0.3
381.19226	0.1
433.11679	0.1
449.10767	1.3
463.08868	0.1
625.14044	8.9
626.14301	0.2
771.19348	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.7
55.05519	15.1
57.03440	7.7
57.07075	1.8
65.03950	2.6
67.05510	47.5
69.03425	3.5
69.07076	16.1
70.78521	1.7
71.05009	4.1
77.03946	1.2
79.05500	59.5
79.16392	0.8
81.03423	8.7
81.07063	53.3
83.04980	10.6
83.08623	8.7
85.02909	2.0
85.06550	3.2
88.54266	0.9
91.05488	43.6
93.07048	58.1
95.04980	15.5
95.08611	25.8
97.02868	2.4
97.06541	10.2
97.10168	2.9
99.08111	1.5
103.05476	1.6
105.04510	2.0
105.07039	34.9
107.04971	5.9
107.08597	23.7
109.02880	1.0
109.06532	4.9
109.10162	7.9
111.04456	1.2
111.08108	2.5
115.05441	1.5
117.07034	11.5
119.08588	22.7
121.06512	2.4
121.10144	9.8
123.08039	4.5
123.11688	2.1
125.09660	1.1
128.06235	2.3
129.07011	11.7
130.07816	0.9
131.08583	9.8
133.06598	0.9
133.10132	15.1
133.34259	0.9
135.08061	1.4
135.11696	7.5
137.09607	2.3
143.08563	6.6
145.10136	12.0
147.08015	1.6
147.10515	1.3
147.11690	23.7
149.09621	5.5
149.13246	6.9
151.11136	0.9
155.08566	1.1
157.10139	2.5
159.11711	7.0
161.09653	1.8
161.13283	7.0
163.11269	4.3
169.10162	2.2
171.11691	15.4
173.04460	1.7
173.13232	2.3
177.12784	2.2
179.14282	2.2
181.12186	1.0
183.11647	1.7
189.12770	4.8
195.13863	2.4
197.13300	1.1
207.13823	15.4
225.14891	1.3
227.12727	1.1
233.20976	0.8
239.17970	1.4
247.20554	1.0
251.16335	1.4
253.14211	1.1
255.15976	4.8
257.19153	2.5
267.15945	1.2
269.14786	1.8
269.17496	13.9
275.20065	13.1
279.15805	1.0
281.17499	37.0
285.07452	1.5
287.05554	1.3
331.22620	1.5
349.23706	9.2
367.24719	2.7
435.27457	1.5
457.29367	1.3
461.29071	19.2
475.30591	100.0
476.30933	3.0
515.33691	1.6
535.46277	0.9
537.35529	2.1
555.36743	21.5
556.37482	1.5
573.38385	5.3
619.34369	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	770.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	9.7
55.05512	20.8
57.03433	11.4
57.07071	1.1
58.54036	1.0
59.57840	1.0
61.02911	1.7
65.03941	3.6
67.05507	60.4
69.03429	4.7
69.07072	25.3
69.58548	1.0
70.04453	2.0
70.04841	2.6
71.04988	2.8
73.06557	1.8
77.03920	2.0
79.05495	73.5
81.03426	13.7
81.07062	60.1
83.04987	16.2
83.08622	10.1
85.02900	3.6
85.06535	3.8
89.78931	1.0
91.05484	60.8
93.07047	74.4
95.04970	18.3
95.08611	31.6
97.02895	3.3
97.06535	15.8
97.10159	7.2
98.21453	1.9
99.04472	1.7
99.08086	1.2
105.04526	2.1
105.07034	50.4
106.07362	1.1
107.04956	12.1
107.08601	28.8
108.08993	1.0
109.02873	2.3
109.06511	7.1
109.10155	7.8
111.08087	3.9
113.09690	1.4
115.05435	2.6
117.07020	14.7
119.08581	30.2
121.06518	4.4
121.10147	10.7
123.08073	6.2
123.11726	1.8
125.09634	5.6
126.72041	1.0
127.03923	2.4
127.07548	1.1
128.06233	2.7
129.07016	15.2
131.08572	12.3
132.26195	1.0
133.10133	19.5
135.08067	4.2
135.11700	10.5
137.09619	3.3
139.11192	1.6
141.06993	2.6
143.08572	9.7
145.10106	17.0
147.08078	2.6
147.11699	32.1
149.09627	10.9
149.13260	5.8
149.55997	1.1
151.11188	1.8
155.08627	1.1
157.10147	2.8
159.11691	9.0
161.09630	4.3
161.13232	9.9
163.11212	6.9
163.12367	1.1
167.08638	1.1
168.50323	1.0
169.10127	2.6
171.11705	22.6
173.04539	2.4
173.13306	4.0
177.12729	3.1
179.14362	2.3
180.07867	0.9
181.12242	1.2
183.11667	1.9
185.13213	1.6
187.14827	1.3
189.11229	1.9
189.12775	8.9
195.13786	2.5
197.13376	1.6
204.31165	1.2
207.13809	24.3
225.14902	2.3
227.12846	10.6
229.19527	2.2
239.17999	2.6
247.20580	2.3
255.15952	4.6
257.19052	8.1
267.15948	1.4
269.17456	12.7
275.20074	29.9
279.15894	1.8
281.17496	55.6
282.17789	1.2
286.07703	1.2
287.05539	1.6
293.21158	2.2
296.47482	1.1
331.22720	3.1
349.19739	1.9
349.23758	22.0
367.24915	2.4
413.21790	1.7
433.03482	1.4
435.27295	4.2
438.44458	1.2
451.27313	1.8
459.31091	2.5
461.28970	28.0
475.30566	100.0
476.30890	4.7
515.33270	1.5
537.35620	3.0
555.36847	51.8
556.36987	2.0
573.37939	8.8
619.34521	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	770.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72264	1.3
55.01875	7.2
55.05268	1.9
55.05514	24.9
57.03445	13.4
57.07057	1.2
61.02917	1.7
64.65119	1.1
65.03941	6.4
67.05508	78.1
69.03423	4.6
69.07072	26.1
69.81001	6.6
71.04985	4.3
73.02908	2.1
77.03934	3.2
79.05497	97.7
81.03419	11.9
81.07062	79.4
83.04985	16.0
83.08624	11.9
85.02887	5.6
85.06532	5.0
91.05486	87.5
92.05814	1.4
93.07047	100.0
95.04975	23.3
95.08611	44.1
97.02889	3.9
97.06545	10.7
97.10159	5.1
99.04488	1.5
99.08099	3.6
103.05491	2.1
105.04548	3.4
105.07035	80.9
107.04961	10.7
107.08601	35.1
109.02893	1.6
109.06514	8.3
109.10148	11.7
110.10402	1.2
111.04456	1.4
111.08073	5.0
115.05470	2.1
117.07027	24.3
119.08588	49.9
121.06501	4.5
121.10146	15.4
123.08085	8.1
123.11720	2.0
125.09634	3.0
127.03909	3.4
128.06218	4.5
129.05489	2.3
129.07008	21.8
130.07729	2.0
131.08575	16.5
133.10130	33.2
135.08034	2.9
135.11679	14.2
137.06012	1.4
137.09628	3.2
141.06966	2.3
143.08559	11.3
145.06511	1.3
145.10132	22.7
147.08031	4.8
147.11694	56.6
149.09583	6.5
149.13254	12.5
151.11147	1.7
155.08572	2.5
156.09332	2.0
157.10092	5.5
158.63115	1.2
159.11702	16.5
161.09685	7.4
161.13264	26.5
163.11182	5.0
169.10123	2.8
171.11688	36.7
173.13239	6.6
175.14809	5.4
177.09050	1.5
177.12791	3.2
179.14352	2.5
185.13287	5.7
187.14842	1.3
189.12759	12.9
189.16469	1.6
195.13864	2.9
197.13342	1.8
199.14798	3.7
207.13821	32.7
208.14078	1.6
211.14772	1.3
213.16449	1.5
225.14856	2.7
231.21025	2.5
233.15524	1.5
239.18060	1.5
241.19528	10.6
247.20798	1.5
251.16315	1.4
253.14369	2.2
254.14748	1.5
257.19070	6.4
259.20587	24.8
261.22076	1.4
269.17505	15.2
275.20068	14.6
279.15866	7.8
281.17477	66.9
282.17996	1.9
291.19406	1.8
293.20901	1.8
315.23065	2.5
331.22650	2.4
333.24219	17.7
349.23975	7.5
413.22003	1.5
447.32358	2.8
465.33804	2.1
475.30588	56.4
475.37427	2.9
483.34915	2.1
497.32141	1.7
539.29498	2.3
539.37366	32.9
555.36981	8.7
557.38281	11.6
572.37396	1.6
573.37146	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	770.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	7.9
55.05516	32.9
57.03444	13.8
57.07080	2.5
59.05027	1.9
59.90549	1.6
61.02932	6.9
65.03938	4.8
67.05511	87.9
69.03432	10.9
69.07072	34.5
69.65005	7.9
71.04995	5.7
73.02920	2.5
73.06573	1.7
77.03914	1.7
79.05499	100.0
80.05779	1.5
81.03429	25.4
81.07062	76.4
82.07358	2.4
83.04984	18.9
83.08620	21.2
85.02916	6.8
85.06545	5.8
86.15967	1.9
91.03964	2.2
91.05490	87.0
93.07050	90.0
94.07354	2.4
95.04968	25.0
95.08611	46.6
97.02904	8.7
97.06535	18.0
97.10175	12.9
98.20838	3.3
99.04465	2.0
99.08092	2.0
103.05460	2.2
105.04530	3.6
105.06317	3.5
105.07034	66.7
106.07447	2.0
107.04970	15.8
107.07877	2.8
107.08601	48.0
108.08904	2.0
109.02892	4.8
109.06532	11.0
109.10165	19.9
111.04469	2.8
111.08077	5.8
113.06030	1.7
117.07021	27.4
119.08589	47.4
119.94630	1.6
121.06520	5.6
121.10158	17.8
123.08078	9.3
123.11739	3.9
125.09624	10.7
126.85845	1.5
127.03921	5.6
128.06258	2.5
129.07013	21.9
131.08578	20.7
133.06432	2.4
133.10146	34.1
135.08055	4.8
135.11699	13.3
137.09673	2.0
141.06999	3.4
143.08580	16.6
144.27898	1.8
145.10130	27.7
147.08087	4.2
147.11697	47.1
149.09615	13.0
149.13278	5.9
151.11203	4.5
155.08556	6.1
157.10103	4.6
159.11699	14.0
161.09668	5.8
161.13245	13.4
163.11165	10.9
165.12675	3.0
169.10144	7.7
171.11690	30.8
173.04454	2.2
173.13312	6.4
177.12807	3.3
179.14220	2.8
181.09984	2.8
183.11700	6.8
185.13364	2.8
187.11185	1.7
189.11281	1.8
189.12822	9.2
193.12361	2.0
195.11777	3.7
195.13719	3.0
197.13342	2.9
198.13818	2.0
198.39679	2.0
207.13834	27.5
219.13551	1.6
221.13284	2.1
225.14825	2.5
227.12755	11.9
229.14375	3.0
229.19489	3.8
239.17993	6.0
247.20639	2.1
255.15916	5.1
257.19037	13.5
267.15900	6.0
269.17581	9.6
275.20105	43.2
281.17484	88.1
282.17703	2.6
283.15369	3.6
285.07681	5.9
286.07996	5.7
287.05563	8.0
291.19556	4.7
293.21143	3.9
331.22623	4.6
333.24493	2.2
349.23740	31.4
360.24802	2.0
377.22641	1.9
435.27670	3.3
451.26898	6.5
459.31265	3.2
461.28967	26.8
475.30591	65.1
476.30869	2.2
497.32050	2.0
497.40155	1.7
527.37811	1.9
537.35822	7.4
541.35474	9.1
555.36884	73.7
556.37006	2.4
573.38177	9.6
607.43359	4.8
608.43909	19.3
699.40985	2.1
743.02203	2.0
770.49353	8.9
778.65210	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	770.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.7
55.05515	24.2
57.03442	6.0
59.05003	1.0
61.02922	1.5
65.03941	1.6
65.72160	0.9
67.05510	39.6
67.63010	0.8
69.03436	6.8
69.06731	1.3
69.07076	22.6
71.04990	2.8
71.53810	1.0
73.02911	1.8
74.81034	0.8
79.05500	48.8
81.03426	7.9
81.07064	34.5
83.04984	7.9
83.08631	13.9
85.02921	1.0
85.06528	1.5
86.35690	0.8
90.56130	0.9
91.05488	28.8
93.07053	46.4
94.07388	0.9
95.01305	1.0
95.04974	14.0
95.08618	33.7
97.02898	10.1
97.06548	7.1
97.09554	1.0
97.10176	14.4
99.00822	0.8
99.04439	3.5
103.03936	1.0
103.05477	1.5
105.07043	22.2
107.04957	14.3
107.07870	2.1
107.08601	37.4
109.02863	1.3
109.06524	4.7
109.10159	10.3
111.04439	2.2
111.08080	2.1
115.05435	1.2
117.07015	12.1
119.08598	18.2
121.06508	7.0
121.10161	13.4
123.08067	4.3
123.11723	1.5
125.05964	2.1
125.09640	11.8
127.03963	1.1
127.07525	1.2
129.07054	5.6
130.07773	1.7
131.08568	7.2
133.06503	3.2
133.10146	10.1
134.07251	1.5
134.10405	0.8
135.08064	5.4
135.11700	33.0
137.09671	1.6
139.07581	0.9
143.08562	5.5
145.10139	26.7
147.08046	4.6
147.11707	10.8
149.09637	4.4
149.13304	1.7
151.11191	1.7
155.08542	1.2
157.10112	2.6
159.11685	2.6
160.54100	0.9
161.09625	2.6
161.13306	4.1
163.11192	42.5
171.10321	1.7
171.11705	6.4
173.09624	1.2
173.11731	0.8
173.13135	1.2
177.12709	1.3
181.12233	7.1
185.13278	1.5
187.11139	1.0
189.11240	5.1
189.12790	2.4
193.12415	1.4
205.12239	2.4
207.13815	5.5
209.11690	1.8
223.13313	10.7
227.12799	66.0
228.13203	1.0
249.14780	2.2
257.19000	2.5
267.15848	1.6
273.18500	11.2
275.20068	14.3
281.17477	18.6
283.15417	52.0
284.15643	1.6
285.07574	4.1
286.07999	3.0
287.05508	4.0
291.19565	54.8
299.14920	2.1
331.22610	2.0
347.22131	3.4
349.23730	9.4
365.23245	48.0
378.25705	1.0
406.75894	1.0
451.26849	8.5
493.28043	2.9
537.35535	2.9
555.37006	31.1
573.34204	100.0
574.34375	3.6
644.37805	1.0
694.50964	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	7.5
55.05276	1.9
55.05516	29.2
57.03445	10.9
57.07075	3.7
61.02937	11.0
65.03936	3.1
67.05506	60.7
69.03440	28.4
69.07069	27.4
71.04985	8.8
71.08595	2.2
73.02907	9.4
77.46183	2.1
79.05499	52.1
81.03428	31.4
81.07062	59.1
83.04990	11.8
83.08621	13.5
85.02914	21.3
85.06532	5.9
87.04478	2.9
87.17460	2.1
91.03914	5.1
91.05488	48.1
93.07050	49.2
95.04958	7.9
95.08057	3.6
95.08612	42.1
97.02906	17.8
97.06541	5.6
97.10169	9.2
99.04454	6.2
99.08082	2.4
105.07039	50.3
107.04953	8.1
107.08596	34.3
109.02863	8.3
109.06523	6.4
109.10168	21.7
111.04448	3.3
111.08076	5.1
112.67100	2.3
115.03951	2.5
115.05454	5.9
117.07004	23.2
119.08589	34.1
121.06527	3.2
121.10146	17.8
123.04417	2.3
123.08113	3.0
123.11690	3.7
125.09608	4.1
127.03885	8.1
128.06195	5.9
129.05463	3.2
129.07014	15.3
131.08586	28.5
133.06494	2.8
133.10143	24.4
135.08047	6.0
135.11731	13.2
137.09573	3.7
141.06950	6.9
142.07759	6.0
143.08575	19.0
145.06528	3.8
145.10147	28.5
147.08046	3.0
147.11687	16.5
149.02351	6.5
149.09618	5.4
149.13263	6.8
153.07004	4.1
155.08549	19.4
156.09303	2.5
157.10153	26.3
159.08107	3.3
159.11696	18.6
161.09651	5.3
161.13271	6.6
163.11179	2.9
165.06979	3.0
167.08542	11.2
169.10136	20.5
171.08043	2.7
171.11719	15.6
173.04471	10.7
173.13266	9.4
175.14812	3.3
177.12712	2.3
178.07855	3.1
179.08563	8.7
180.09343	3.4
181.10136	15.5
182.10931	2.7
183.11708	17.1
185.09622	2.8
185.13252	12.9
187.14830	5.3
189.71115	2.1
193.04985	4.9
193.10120	8.8
195.11685	17.7
197.13260	15.7
199.11188	3.8
199.14828	8.5
201.16391	2.9
205.10161	3.7
207.11694	8.9
208.12465	2.6
209.13257	11.8
211.14832	10.0
213.16403	4.5
219.11630	5.2
221.13242	8.6
223.14818	11.3
225.16423	5.5
231.11670	2.4
233.13329	3.1
235.14810	5.7
237.16402	5.3
239.18076	3.6
241.19623	2.6
249.16505	3.8
257.19028	6.2
263.17853	4.1
275.20132	10.9
283.20435	2.6
285.07578	26.0
295.20615	3.8
335.23712	2.3
349.24161	3.9
351.23239	4.0
367.22455	3.9
372.68842	2.2
385.23633	2.1
441.26285	3.1
447.31772	3.1
497.38129	2.8
513.35999	6.4
515.38336	7.6
524.79462	2.2
527.37109	4.0
529.97260	2.3
533.39789	4.4
537.35144	3.4
551.40692	2.8
567.38629	3.0
589.42151	6.3
605.41565	3.1
607.43628	100.0
608.43634	4.2
609.45667	2.4
625.44104	3.8
733.46307	5.3
751.47998	10.2
769.48877	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	769.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	7.8
55.05516	30.9
57.03446	15.2
57.07070	4.3
59.04989	1.9
61.02934	12.1
65.03941	11.4
67.05512	68.1
69.03437	29.0
69.03815	1.6
69.06725	2.4
69.07076	29.3
71.01359	1.9
71.05007	9.0
73.02927	7.8
79.05501	56.4
81.03426	46.0
81.07063	67.3
83.04987	12.8
83.08627	14.1
84.68689	1.0
85.02910	18.6
85.06557	3.4
91.03963	4.9
91.05491	57.9
93.07050	53.1
95.04993	12.6
95.08618	48.3
97.02908	19.7
97.06523	9.6
97.10178	9.5
99.04478	8.0
99.08109	3.0
101.02399	2.5
103.05500	2.5
105.04546	2.4
105.07041	49.8
107.04957	7.0
107.08604	34.3
109.02903	11.2
109.06518	6.1
109.10165	21.5
110.25665	1.1
111.04456	4.4
111.08096	4.7
113.06022	1.4
115.05446	5.7
117.07032	28.5
119.04967	1.5
119.08593	35.1
121.02892	1.9
121.06538	5.1
121.10152	20.7
123.04451	1.7
123.08093	8.0
123.11716	5.6
125.09676	7.9
127.03939	8.3
128.06247	8.5
129.05577	6.2
129.07013	23.9
130.07780	2.3
131.04997	1.4
131.08585	34.8
133.06503	4.1
133.10143	30.0
133.11087	1.8
134.31821	1.0
135.08066	6.7
135.11702	9.2
137.06010	1.3
137.09657	3.3
137.13264	1.6
139.03886	1.6
139.07538	2.3
139.11220	1.6
141.07007	9.3
142.07829	5.0
143.08572	23.0
144.09367	2.0
145.04996	1.2
145.06532	3.3
145.10132	32.6
147.08086	4.6
147.11711	19.3
149.02362	49.6
149.03452	3.2
149.09682	5.4
149.13255	6.5
150.02716	2.3
151.11208	2.1
153.07043	5.1
153.09102	1.7
154.07813	3.4
155.08565	21.0
156.09381	4.2
157.06563	2.3
157.10139	24.0
157.11455	1.2
159.08069	3.6
159.11713	21.4
161.09702	3.5
161.13284	8.5
163.07625	1.4
163.11224	3.4
163.14854	2.9
165.07086	4.4
165.09123	1.3
165.12805	1.5
166.07761	2.7
167.08575	14.8
168.09381	4.7
169.10135	24.1
171.08125	3.0
171.11722	18.9
173.04465	17.6
173.09662	2.5
173.11853	1.5
173.13260	13.0
175.03938	1.6
175.11243	2.2
175.14890	4.2
177.05499	1.4
177.12831	2.3
179.08578	5.7
180.09384	2.8
181.10114	13.1
182.11032	3.0
183.08206	1.6
183.11705	20.1
184.12497	1.4
185.09705	3.4
185.13295	10.2
187.11179	2.7
187.14893	5.0
189.11282	2.5
189.12828	3.3
189.16483	1.6
191.08716	2.2
192.09474	1.6
193.04985	47.6
193.06723	2.4
193.10106	10.8
194.05334	2.6
194.11038	2.0
195.08202	1.4
195.11743	16.0
197.09663	1.9
197.11650	2.4
197.13263	14.6
197.14815	1.4
199.11230	3.1
199.14828	8.3
201.12798	2.0
201.16446	2.6
205.10179	3.6
205.15857	1.7
206.11002	2.4
207.11795	8.3
208.12529	2.1
208.87367	1.2
209.09834	1.3
209.13246	16.6
209.22958	1.2
210.13875	1.3
211.11337	2.4
211.14867	8.2
213.09319	1.2
213.12874	2.5
213.16490	4.1
217.15926	1.8
219.11774	4.4
221.13347	10.5
223.14925	11.6
225.12866	2.7
225.16426	7.2
227.14534	2.5
227.18102	2.0
229.14285	1.8
229.19492	1.8
231.11768	2.6
231.17542	1.8
233.13309	4.1
235.14917	6.3
237.12708	1.5
237.16437	7.6
239.14342	2.4
239.18036	5.5
241.19614	3.7
245.13391	2.0
245.15640	1.5
247.14905	1.9
247.20767	1.5
249.12646	1.7
249.16533	2.5
251.14400	1.6
251.18019	3.6
255.17397	2.6
257.19098	5.3
259.20499	5.9
261.16498	1.6
263.17929	2.5
265.19644	1.6
271.20532	2.2
273.18637	3.7
275.20071	13.6
277.19434	2.6
279.21054	1.5
283.17288	1.1
283.20639	2.1
285.07617	5.8
291.19684	1.3
295.20508	2.2
297.22183	1.4
305.22211	1.1
307.20682	2.0
309.22205	1.4
311.20071	2.0
311.23828	1.6
313.21689	2.9
315.23407	1.9
319.20755	1.6
321.22244	1.4
325.21823	3.0
333.24805	2.5
333.74438	1.3
337.21652	1.7
337.25305	1.3
339.23285	2.6
341.06577	1.7
349.21326	1.5
349.24600	2.4
351.23343	1.8
363.27216	2.6
365.28577	1.6
367.23022	3.6
369.24457	2.2
375.26862	1.5
379.30457	1.3
381.31918	1.8
385.09277	1.6
385.23895	2.6
387.25839	1.1
389.28754	1.6
391.30350	1.7
395.29608	1.6
407.29916	1.2
433.30988	1.5
441.26093	2.3
459.27457	2.5
463.32080	1.4
471.33203	1.3
475.34457	1.3
499.33627	1.4
501.35645	1.6
513.36127	2.8
515.39087	7.6
523.34058	1.3
525.35876	1.9
527.37512	3.5
533.39746	3.3
537.36078	3.8
539.37476	1.6
551.41351	1.7
565.38702	1.5
589.42487	4.0
597.45728	1.9
605.42230	3.4
607.43628	100.0
608.43903	7.2
609.45477	2.7
619.43121	2.0
625.44910	4.9
635.40393	1.5
641.42023	1.5
653.40808	2.0
661.45081	1.8
671.41772	3.7
673.44464	1.5
679.45264	1.3
697.44666	2.6
715.45361	4.0
733.46515	8.8
751.47760	11.8
762.15045	1.3
769.18854	6.6
769.48883	64.5
770.49268	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	769.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19844	0.1
57.03444	0.7
67.01891	0.2
68.53730	0.1
68.99809	0.1
69.03416	0.1
70.64025	0.2
70.64365	0.2
71.01325	0.1
71.04600	0.1
71.04994	2.9
73.02889	0.1
75.04469	0.1
79.90165	0.1
82.19180	0.1
83.04965	0.4
85.02906	3.9
87.04478	0.2
89.01443	0.1
95.01324	0.4
97.02892	0.3
99.04465	0.1
111.04451	0.2
113.02332	0.1
114.14748	0.1
127.03920	0.2
129.05475	0.6
133.06490	1.3
135.04425	0.4
141.01804	0.8
147.06558	0.1
153.01833	1.6
156.62494	0.1
159.04408	0.5
171.02956	0.2
192.41307	0.1
195.49791	0.1
200.81628	0.1
202.01112	0.1
239.06966	0.3
242.05737	11.0
243.06363	0.3
266.82718	0.1
270.05237	12.4
271.05591	0.1
285.07574	100.0
286.07993	0.6
290.91431	0.1
294.39380	0.1
447.12845	1.6
623.16064	7.0
624.15619	0.1
703.65613	0.1
769.21765	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	9.8
57.03437	11.3
57.07080	30.8
57.07517	1.4
67.05506	14.6
69.03425	3.4
69.07067	8.7
71.04992	2.3
71.08635	23.8
74.63295	1.5
79.05506	12.6
81.03423	68.0
81.07056	22.3
83.04998	3.9
83.08623	24.6
85.02917	4.1
85.06551	1.9
85.10182	15.3
89.06039	1.8
91.05495	13.3
93.07057	7.9
95.04974	20.2
95.08612	18.4
97.02882	2.3
97.06548	2.8
97.10174	5.9
105.07037	9.9
107.04964	4.8
107.08620	3.2
109.02894	2.4
109.06500	1.7
109.10156	12.2
111.04468	1.7
111.08092	4.0
117.07037	2.6
119.04995	1.8
119.08575	9.2
121.06537	1.8
121.10109	3.2
123.04439	4.3
123.08070	1.4
123.11715	3.6
125.09631	2.1
126.40987	1.5
129.07005	6.1
131.08563	7.3
133.06476	3.1
133.10115	4.8
135.08026	1.9
137.09618	2.3
142.07854	1.7
145.10101	2.1
147.04442	3.3
147.08116	4.1
147.11684	5.6
149.09633	3.7
157.10143	7.6
159.11729	1.6
163.11136	2.0
175.11218	7.0
179.14229	1.7
193.12242	27.3
235.13217	4.1
239.23822	1.8
249.14822	2.2
257.24765	3.6
259.13394	2.0
267.15927	94.5
277.14133	2.0
287.12592	1.9
304.26508	2.9
309.17099	4.0
313.27380	100.0
314.27634	2.6
351.14340	1.6
362.41815	1.5
443.19086	3.1
493.17267	2.5
505.38940	79.4
506.39456	8.0
547.39667	3.2
601.40680	3.3
645.39716	2.6
663.40527	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	763.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01888	0.9
55.05505	1.6
57.03443	2.5
61.02930	3.6
67.05506	5.4
69.03439	2.7
69.07065	3.0
69.75156	2.9
71.04993	0.6
73.02923	3.0
74.56139	0.6
79.05495	3.3
79.40445	0.6
81.03426	2.1
81.07066	6.4
83.04999	1.0
83.08634	1.2
85.02898	3.8
91.04000	2.5
91.05502	2.6
93.07047	4.3
95.04977	1.0
95.08636	2.6
97.02907	3.7
97.06552	1.3
97.10168	0.6
99.04449	1.1
101.02394	1.7
103.03954	0.9
105.07050	2.0
107.08593	2.5
109.02938	0.5
109.10188	1.0
111.08066	0.6
115.04026	0.5
115.99023	0.5
117.07030	0.6
119.08598	1.2
120.05216	0.5
121.10165	2.2
127.03934	1.1
129.07039	0.7
131.08582	1.4
133.10158	1.0
135.11731	1.3
145.10144	0.9
147.11658	0.6
149.13301	1.4
159.11729	1.3
184.07376	1.2
185.04295	0.8
185.68056	0.5
224.42465	0.5
235.13095	1.1
243.08505	2.6
269.17545	0.7
333.20508	1.6
333.78134	0.5
389.23123	0.6
439.19412	0.8
453.20984	8.2
469.20654	1.1
471.22107	0.7
494.77191	0.5
509.80035	0.5
533.27502	0.6
551.28253	4.4
558.17078	0.5
763.42383	100.0
764.42749	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	763.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01853	0.7
55.05508	1.8
57.03429	1.8
57.07071	0.5
59.43510	0.5
60.46412	0.5
61.02928	4.6
62.21337	0.4
65.03953	0.9
67.05508	5.9
69.03439	3.6
69.07076	2.5
69.23525	1.9
69.23955	2.4
71.04987	1.7
73.02925	3.8
79.05488	3.9
81.03430	2.0
81.07058	6.4
83.04961	0.7
83.08640	1.5
84.04457	0.4
85.02903	4.9
87.04465	0.5
90.13423	0.5
91.03954	3.5
91.05486	3.5
93.07044	4.7
95.08614	4.4
97.02895	4.3
97.06522	0.8
97.10198	0.7
99.04486	0.7
101.02388	2.3
103.03941	0.6
105.07043	1.2
107.08601	2.0
108.58968	0.5
109.02914	0.9
109.10158	2.5
115.03954	0.6
117.77791	0.6
119.04929	0.7
119.08583	1.3
121.10159	1.8
123.11724	1.5
127.03938	1.9
131.08620	0.9
133.10120	2.5
135.11755	1.3
145.10101	0.6
147.04440	3.5
149.13295	0.8
151.11240	0.9
151.14929	0.6
185.04205	0.6
202.40701	0.4
203.05234	0.5
243.08400	1.4
253.94550	0.6
257.17462	0.6
267.15805	2.0
288.51199	0.5
311.26053	0.6
327.25613	0.7
329.27048	0.7
335.25931	0.9
403.25497	0.5
453.20590	0.5
485.23532	4.4
519.29395	7.6
763.46045	100.0
764.46588	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	761.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01868	1.0
55.05268	0.8
55.05513	12.2
56.98454	0.5
57.03425	2.1
57.07065	1.5
59.00835	0.5
60.52322	0.4
62.49032	0.5
64.95595	0.5
65.03930	2.2
67.05508	21.2
69.07074	14.7
71.04993	1.1
79.05061	0.9
79.05496	10.4
81.07064	25.9
82.07426	0.6
83.04993	1.1
83.08624	9.5
85.06555	1.6
91.05479	17.3
91.29382	0.5
93.07046	10.3
93.07619	0.7
95.04977	1.4
95.08611	24.6
96.08963	0.9
97.06543	3.3
97.10178	7.7
99.08098	1.5
105.07030	4.5
107.02184	0.5
107.08601	6.7
109.06516	0.9
109.09461	0.8
109.10159	10.7
111.04375	0.5
111.08085	2.1
111.11711	2.8
119.04951	24.3
119.08596	5.2
121.10146	9.5
123.08072	1.3
123.11734	3.3
125.09652	1.2
125.13319	1.1
131.08551	1.0
133.10147	6.4
135.11702	11.8
137.09610	0.9
137.13258	2.0
139.11197	1.1
145.10152	0.9
147.04417	100.0
147.11688	4.0
148.04756	1.1
149.13257	2.4
151.11192	1.8
151.14864	1.8
153.12746	1.3
159.11665	0.8
161.13266	2.9
165.05478	4.3
175.14894	1.3
179.14322	1.5
184.07254	0.6
189.16380	0.6
193.19531	0.7
200.80725	0.6
215.17978	0.6
217.19528	7.8
221.08107	1.4
233.18874	0.5
235.20589	12.9
251.20085	0.6
253.21649	8.4
271.22794	1.1
271.49677	0.5
273.22083	0.6
275.20212	0.5
291.23282	2.6
309.24228	3.8
327.25345	3.4
347.98221	0.6
404.43918	0.6
451.39542	0.8
469.40475	4.7
487.41501	11.6
505.42584	3.6
525.42969	1.0
543.44916	0.7
561.45166	7.7
579.46136	11.3
597.47302	2.4
725.49670	1.1
743.50043	1.0
761.52264	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.5
54.01171	0.9
55.01882	1.2
55.05524	2.3
57.03450	2.3
61.02925	3.2
67.05512	6.8
69.03432	3.1
69.07074	2.8
73.02927	4.1
79.05497	8.0
81.03430	2.7
81.07056	6.6
83.04956	1.0
83.08620	2.2
85.02891	4.7
85.27252	1.0
91.03992	2.7
91.05491	5.9
93.07072	7.6
95.04973	1.2
95.08624	3.6
97.02909	4.0
97.10184	1.3
99.04443	1.2
101.02413	1.8
101.85680	1.1
105.07066	4.7
107.08598	3.4
109.10235	1.5
117.07063	1.6
117.81353	1.1
119.08597	3.1
121.06556	1.7
121.10151	2.4
124.24773	0.9
129.07065	1.8
131.08592	1.4
133.10139	2.6
135.11734	2.8
143.08612	1.4
145.10168	2.0
147.11707	2.6
159.11722	1.1
163.11218	2.4
180.87704	1.0
184.07388	3.1
227.12923	1.3
243.08362	2.4
249.11008	10.7
255.15970	1.1
293.01639	1.0
315.11118	1.2
315.19437	1.0
397.18271	1.3
467.19031	7.9
469.20999	1.5
533.27478	1.5
535.28882	8.7
539.21234	1.8
581.24646	1.2
761.40869	100.0
762.41315	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	761.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01874	1.1
55.05266	0.8
55.05514	10.4
57.03429	1.7
57.07064	2.0
65.03939	1.9
67.05510	22.5
69.03412	0.9
69.07076	15.5
71.04993	1.3
71.53926	0.6
79.05504	8.8
81.03419	1.1
81.07063	25.1
82.07367	0.6
83.04986	1.4
83.08629	10.3
85.06554	1.5
85.84351	0.5
91.05490	16.4
93.06477	0.7
93.07056	11.2
94.07378	0.5
95.04963	1.6
95.08617	21.3
96.08909	0.5
97.06523	2.5
97.10189	6.9
99.08089	1.4
105.07034	5.2
107.08604	6.9
109.06531	1.1
109.10169	10.5
110.19086	0.4
111.08081	2.1
111.11723	2.5
113.09667	1.1
117.07032	0.5
119.04955	21.5
119.08584	5.6
121.10150	10.8
121.78993	0.4
123.04472	0.5
123.08073	0.9
123.11709	4.3
125.09632	1.3
125.13320	1.1
131.08611	1.2
133.10143	4.9
135.11705	9.4
137.09613	1.1
137.13263	2.4
139.11205	1.2
145.10153	1.0
147.04420	100.0
147.11697	4.6
148.04799	1.5
149.09583	0.6
149.13286	2.5
151.11140	1.1
151.14816	0.9
153.12766	1.6
161.13255	3.7
165.05522	5.2
165.12767	1.1
175.14845	2.0
179.14296	1.3
217.19537	7.2
221.08116	2.2
233.19153	0.5
235.20589	12.1
253.21629	6.6
261.37466	0.5
267.16138	0.6
268.16315	0.5
271.22855	0.6
285.16855	0.8
286.17291	0.7
291.23251	2.1
309.24368	4.4
327.25305	4.0
335.25806	0.8
336.26245	1.0
451.39343	0.8
469.40378	3.8
487.41516	9.9
505.42484	2.8
508.93637	0.5
525.43304	0.6
543.44720	0.5
546.38757	1.0
561.45270	5.8
579.37604	0.9
579.46234	11.7
579.55341	0.6
580.46924	0.6
597.47406	2.2
725.49884	1.2
743.50464	0.5
761.42212	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01878	0.6
55.05515	1.2
55.18105	0.4
56.53927	0.4
57.03458	2.2
57.83255	0.4
59.05003	1.2
61.02932	3.8
61.49416	0.4
65.13314	0.4
66.09824	0.4
67.05512	3.3
67.16392	0.4
69.03427	2.1
69.07076	1.1
71.01342	1.0
71.04993	2.2
73.02929	2.5
75.04467	0.5
79.05486	3.2
81.03423	5.8
81.07066	4.1
83.04997	1.3
83.08632	1.4
85.02912	4.7
85.06555	0.6
87.04464	0.8
91.03978	1.6
91.05481	4.1
93.07050	3.2
95.04991	1.9
95.08603	2.0
97.02916	3.0
97.06548	1.0
100.57253	0.5
101.02370	2.3
105.07020	3.4
107.04969	0.6
107.08624	2.4
109.02908	0.8
109.06553	0.8
109.10193	1.0
110.46551	0.4
111.08111	0.8
115.03921	0.7
117.06948	0.4
119.08592	2.8
121.10158	3.4
123.11722	0.5
127.03915	3.6
129.05580	0.4
129.07036	1.4
131.08563	2.0
133.10139	2.5
135.11771	0.5
137.06023	0.7
139.11180	0.5
145.04953	2.0
145.10217	0.6
147.11667	2.2
149.09583	2.5
151.03911	0.4
157.10138	2.1
161.13303	0.6
175.11226	1.2
189.16460	0.5
193.12244	2.6
197.15379	0.5
203.05237	0.4
225.14893	1.2
243.08369	2.2
267.16022	1.3
283.06290	0.5
283.15152	6.8
339.17850	2.7
435.32431	0.6
453.33963	0.6
469.20627	1.1
501.23093	29.6
502.23599	1.1
533.17139	0.6
581.34717	0.6
599.34167	1.0
635.74786	0.5
659.72235	0.4
761.39282	100.0
762.39362	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	760.4841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.1
55.01873	4.6
55.05518	23.7
57.03440	18.6
60.08170	2.2
61.02927	5.8
65.03944	3.7
67.05509	81.0
69.03422	6.7
69.07073	22.6
71.04985	5.4
73.02927	3.4
79.05498	56.3
81.03423	100.0
81.07062	72.3
82.07396	2.2
83.04991	6.8
83.08621	28.9
83.21160	1.5
83.58928	1.5
85.02906	3.6
85.06573	3.5
86.09700	11.8
91.03958	1.9
91.05489	47.5
92.05795	1.6
93.07048	59.6
94.07371	1.9
95.04974	30.2
95.08614	54.0
97.02910	8.4
97.06540	9.6
97.10176	9.5
98.20737	5.2
105.07034	40.9
105.79243	1.6
107.04985	10.2
107.08600	35.6
109.06512	8.6
109.10167	26.8
111.04462	1.9
111.08111	8.1
117.07030	8.9
119.04917	1.8
119.08593	31.5
119.09374	2.8
121.06542	5.4
121.10149	30.1
123.04460	2.8
123.08095	4.4
123.11694	8.7
125.00012	7.4
125.09645	4.7
129.06998	13.7
131.08571	26.8
133.06537	5.0
133.10143	19.5
135.08072	3.9
135.11694	16.2
137.09630	3.8
137.13312	2.1
139.11203	2.1
143.08566	5.4
145.10135	16.0
147.04439	3.7
147.08055	4.0
147.11710	19.1
149.09648	7.9
149.13231	12.0
150.85515	1.9
151.11154	1.6
157.10126	16.2
159.11684	8.9
161.13312	6.7
163.11237	2.6
163.14780	4.1
165.12888	2.9
171.11714	2.7
173.13272	6.4
175.11211	8.2
177.12791	1.7
178.27707	1.5
184.07359	37.9
184.08997	1.9
187.14838	4.4
189.11253	2.5
193.12248	23.6
209.80368	1.6
211.13190	2.5
227.12837	7.0
229.63818	2.9
235.13396	2.4
243.21135	3.4
259.13129	2.4
259.20779	2.0
261.22229	17.4
267.15930	97.2
279.23270	1.8
285.16910	4.7
301.25327	5.0
309.17096	3.7
317.24878	4.4
330.20187	1.6
333.24500	2.0
335.25830	81.8
350.55249	2.2
435.27484	2.3
435.32779	5.2
438.74603	1.7
449.29123	2.5
453.33786	10.2
465.21353	2.7
466.21512	4.8
471.34991	7.1
509.36179	1.9
527.37366	64.8
528.37659	1.9
536.29596	2.3
545.38373	58.1
546.38947	2.5
563.39349	6.8
569.38849	3.3
655.27850	4.4
710.44049	2.4
760.43195	77.3
761.42163	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	759.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01860	0.6
55.05510	2.5
57.03438	2.1
61.02929	4.2
65.03926	0.5
67.05507	7.7
68.05846	0.4
69.03432	2.1
69.07063	2.5
69.45922	2.2
71.04995	0.8
73.02919	3.7
79.05497	8.2
80.05848	0.3
81.03416	2.3
81.07060	8.5
82.07386	0.7
83.04985	1.4
83.08619	1.7
85.02900	4.2
85.06538	0.4
87.04484	0.3
90.95074	0.3
91.03976	2.8
91.05484	7.1
92.05814	0.5
93.07043	8.1
94.07364	0.5
95.04985	1.9
95.08610	4.4
96.08931	0.4
97.02902	3.4
97.06543	1.0
97.10141	0.6
99.04464	0.8
101.02383	1.4
105.07032	5.8
106.07391	0.5
107.04978	0.8
107.08592	3.4
108.08920	0.4
109.02882	0.5
109.06533	0.8
109.10168	1.3
111.04406	0.4
115.03973	0.3
115.05409	0.3
116.50665	0.3
117.07013	1.9
119.08580	3.8
121.06493	0.7
121.10144	2.4
123.08126	0.3
123.11739	0.5
126.64005	0.3
127.03917	1.3
129.05527	0.5
129.07024	1.7
131.08572	1.7
133.10109	2.8
134.10432	0.3
135.11685	1.7
137.09689	0.3
143.08615	1.1
145.04958	0.4
145.10144	1.9
147.04430	0.6
147.11707	2.7
149.09616	0.3
149.13312	1.3
157.10139	0.5
159.11725	1.3
161.09564	0.4
161.13266	1.1
163.11186	0.6
168.69174	0.3
171.11752	1.2
173.13304	0.4
175.14804	0.3
184.07289	0.5
185.04295	0.8
185.13326	0.5
193.12325	0.3
195.13937	0.3
201.03737	0.4
203.05321	0.5
207.13840	0.7
243.08438	3.5
247.13066	1.5
254.06160	0.3
259.20633	1.0
260.21127	0.3
261.22015	0.4
267.15961	0.9
269.17477	1.5
270.17834	0.9
275.20267	0.4
281.17493	0.5
283.15561	0.5
298.75293	0.3
301.09207	1.1
301.16507	0.3
302.16937	0.5
303.15677	0.9
311.03375	0.3
313.08850	0.4
315.10648	0.8
317.20950	0.7
328.50674	0.3
333.24481	0.7
334.24637	0.5
335.25867	1.7
336.26324	0.7
371.16998	0.3
373.11215	0.4
383.16629	0.4
397.18292	0.6
463.30695	0.5
464.30811	0.7
465.21008	11.1
470.84570	0.3
495.22260	0.9
527.37354	0.7
528.37677	0.7
535.28857	6.4
537.23120	1.3
544.37390	0.8
545.38562	0.9
551.25403	0.3
562.38464	1.4
565.27606	0.4
612.06390	0.3
621.33234	0.4
759.42896	100.0
760.43329	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.7
55.01873	0.9
55.05515	12.9
57.03441	6.4
57.07066	1.7
59.05010	1.0
61.02924	2.3
65.03939	2.6
67.05508	60.1
69.03422	2.0
69.06721	1.0
69.07069	12.6
70.68917	1.6
71.04997	18.0
73.02911	1.1
77.03893	0.8
79.05495	30.8
81.03427	1.6
81.07059	88.8
83.04990	3.9
83.08620	7.7
85.02914	2.3
85.06544	6.6
91.03964	1.3
91.05483	27.2
93.07043	35.7
95.04967	2.8
95.08608	26.2
97.02901	1.8
97.06522	4.6
97.10172	2.0
99.08051	1.2
105.07037	14.5
107.08600	22.7
109.06535	2.1
109.10159	11.1
111.08089	2.0
113.09622	0.7
117.07023	5.0
119.08597	7.8
121.10152	16.3
121.11047	0.9
123.08078	0.6
123.11707	13.6
125.09638	0.8
131.08580	8.7
133.10136	17.5
135.11691	10.7
139.11133	0.7
143.08551	0.6
145.05043	0.6
145.10138	4.1
147.11681	4.3
148.16592	0.5
149.13277	5.7
151.11174	5.9
153.12744	0.8
157.10229	0.6
159.11694	5.4
161.13281	2.6
163.14812	0.8
169.12189	1.3
171.11719	0.6
173.13275	2.6
175.14828	1.2
177.12766	2.2
177.16264	0.5
183.13808	2.4
185.13199	1.3
187.13332	3.6
187.14815	1.2
195.13861	1.6
201.14780	0.7
227.16316	1.3
243.15958	0.8
243.21164	1.0
257.17563	1.7
261.22168	2.4
269.17422	4.9
301.20099	21.0
317.24844	1.0
335.25803	28.2
336.25931	0.9
393.31503	0.9
411.32474	1.2
437.34100	0.6
485.36130	2.9
503.37320	95.9
504.37775	2.9
511.37802	0.6
517.38702	3.6
529.38885	17.1
547.39661	1.0
561.41510	100.0
562.41846	4.1
665.22186	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.8
55.01868	8.6
55.05510	27.0
57.03434	5.6
57.07075	4.7
59.95611	3.6
65.03932	6.5
66.82777	3.4
67.05507	100.0
69.07076	36.3
71.08607	9.2
71.53588	5.5
71.54259	3.7
79.05489	48.5
81.07059	94.1
83.04965	6.3
83.08624	7.5
91.05474	42.6
93.07040	51.2
95.04957	9.6
95.08620	56.7
97.06534	8.8
97.10152	9.8
99.08063	4.3
99.97863	3.8
105.07019	37.0
107.04962	6.8
107.08593	28.1
109.06548	4.6
109.10178	22.0
111.08080	4.5
112.99995	23.7
117.06995	8.7
119.08570	19.3
121.10142	14.6
123.11703	4.9
124.83701	3.3
125.09548	3.3
129.07001	3.6
130.07814	4.4
131.08569	9.6
131.61656	3.3
133.10112	16.6
135.11685	12.1
137.05986	8.2
145.10097	4.5
147.11682	9.7
149.09596	8.5
149.13254	7.9
159.11700	11.3
161.13249	4.1
163.11136	4.7
169.02618	12.4
173.13217	3.9
177.12648	5.0
216.77977	4.6
219.55145	3.4
273.32117	3.8
275.20114	21.3
277.17847	5.7
291.19455	5.9
293.21127	16.0
298.90469	3.5
313.21481	4.4
335.25717	5.3
337.27390	8.2
349.23645	8.4
517.38843	16.7
529.39221	5.0
531.40411	63.4
593.45361	6.5
595.46924	16.2
601.44470	15.7
611.46667	55.4
614.45349	9.9
623.78918	4.0
629.47571	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	758.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.7
53.25888	0.8
55.01876	5.6
55.05270	1.4
55.05516	21.1
57.03444	13.2
57.07070	2.4
57.92271	1.0
61.02933	5.3
65.03924	3.0
67.05509	73.0
69.03427	4.4
69.07072	30.0
69.07426	0.6
71.04990	6.6
79.05496	48.4
81.03424	10.6
81.07062	90.8
83.04996	12.9
83.08620	19.7
85.02912	4.5
85.06550	5.8
91.03949	1.3
91.05486	38.2
93.07050	65.0
94.07407	1.3
95.04977	9.3
95.08611	27.8
97.02887	3.4
97.06533	14.9
97.10181	8.0
98.21497	3.1
99.04445	1.4
99.08102	3.3
105.04560	1.4
105.07034	30.2
107.04990	5.7
107.08603	42.2
109.02904	2.1
109.06504	5.0
109.10167	10.0
111.04494	1.1
111.08110	7.4
113.06033	1.3
115.05403	1.2
117.07021	15.9
119.08593	15.9
121.06535	3.4
121.10157	19.3
123.08041	2.7
123.11716	5.7
125.09618	7.0
127.03918	2.8
127.07545	1.2
128.06253	2.1
129.05460	1.6
129.07007	2.8
131.08582	16.8
133.06557	1.1
133.10135	22.2
135.08073	4.0
135.11684	16.1
137.09618	2.4
139.07526	1.6
143.08578	3.0
145.10117	11.0
147.08018	1.8
147.11682	8.5
149.09637	8.5
149.13263	23.8
151.11201	3.1
157.10091	2.8
159.11694	16.8
161.09589	1.0
161.13266	3.8
163.11217	5.8
165.12668	1.2
169.10074	2.3
171.11655	1.9
173.04483	2.2
173.13272	3.0
175.11110	1.3
177.12749	6.5
179.14391	2.2
183.11615	1.9
184.07344	2.3
185.13298	2.2
189.11197	3.0
195.13824	16.1
201.12714	1.2
213.14832	1.8
227.12810	14.1
229.14349	1.1
229.19530	1.6
239.17946	2.7
247.20721	1.1
251.16383	2.4
253.14375	3.6
253.17754	1.0
255.15952	5.4
256.44861	1.1
257.19000	7.0
259.20700	2.4
267.15802	2.3
269.17487	85.6
275.20071	25.7
285.17209	1.3
291.19608	2.0
293.21085	1.8
331.22617	1.3
339.17743	1.1
349.23773	25.3
349.28091	1.2
350.23975	1.6
365.23291	2.7
367.24713	2.9
411.67661	1.0
413.21466	2.1
423.27255	3.0
428.96570	1.3
434.86084	0.9
439.26920	4.2
445.29373	1.6
447.31189	2.1
449.29083	21.0
451.32202	1.3
463.30582	100.0
464.31018	3.6
487.30328	1.6
503.34027	1.5
517.35822	1.3
525.35791	3.5
543.36835	47.9
544.37042	2.5
561.38135	8.4
607.34381	3.2
759.39618	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	758.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	5.5
55.01877	8.6
55.05269	1.6
55.05514	23.3
57.03437	14.3
57.07067	4.1
58.73074	1.2
61.02921	3.0
65.03929	4.4
67.05508	74.7
69.03445	7.0
69.07073	35.6
69.26646	7.4
69.27054	2.4
71.04999	7.9
73.02919	2.7
77.03944	1.5
79.05496	60.8
81.03434	11.3
81.07059	100.0
83.04983	13.2
83.08624	17.8
85.02912	6.3
85.06539	5.1
91.03931	1.6
91.05483	45.7
93.07047	73.9
95.04964	9.9
95.08607	34.7
96.08941	1.5
97.02879	4.7
97.06533	19.0
97.10167	6.7
99.04466	1.6
99.08087	3.7
99.34651	1.1
103.05475	1.5
105.07030	30.3
106.07382	1.0
107.04975	8.5
107.08598	50.2
109.02843	1.8
109.06537	6.8
109.10159	11.1
111.08099	10.8
111.11691	1.5
113.06023	1.2
113.09652	2.1
117.07021	20.0
119.08587	22.2
119.40462	1.1
121.06524	4.9
121.10149	26.6
123.08076	3.6
123.11700	4.1
125.09636	8.0
127.03912	3.7
128.06253	1.2
129.06985	4.4
131.08572	22.7
132.08107	2.4
133.10130	25.7
135.08058	5.0
135.11717	17.8
137.09599	1.4
139.11159	2.3
143.08527	3.2
145.10123	13.6
147.08032	1.4
147.11708	14.1
149.09619	12.0
149.13257	32.0
151.11220	3.8
155.08565	1.9
157.10144	5.5
159.11697	19.2
161.09657	1.7
161.13266	3.7
163.11163	7.6
165.12685	1.3
169.10179	1.9
171.11723	3.7
173.04468	2.3
173.13260	5.5
175.11188	2.1
177.12730	5.5
179.14334	2.2
183.11754	1.9
185.13196	3.1
189.11223	4.2
189.12747	2.1
193.12225	3.1
195.13800	10.8
197.13245	2.1
211.13281	6.0
213.12778	1.1
213.14809	1.3
215.14307	1.3
215.17931	1.2
227.12785	14.9
228.13104	1.5
229.19470	2.9
229.25525	1.1
239.17970	2.2
241.19655	2.2
247.20604	1.6
251.16397	1.7
255.15961	4.6
257.19058	8.0
259.20737	5.5
262.18057	1.7
267.15939	2.3
269.17487	93.6
275.20065	30.5
276.20193	1.5
278.56461	1.3
285.16901	4.4
293.21237	2.1
296.64462	1.2
331.22726	3.0
333.24191	5.1
339.17883	1.3
343.29984	1.4
349.23737	27.5
367.24924	2.4
413.21695	2.2
423.27042	3.5
439.26907	4.8
445.29483	1.2
447.30695	2.5
449.23383	2.0
449.29025	23.2
463.30554	84.2
464.31290	1.6
503.33270	1.9
525.35870	6.2
543.36816	64.9
544.37054	2.5
561.38025	11.0
600.65039	1.2
607.34467	2.7
687.41418	1.3
758.47882	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	757.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98345	0.5
53.03953	1.3
55.01865	1.0
55.05522	2.5
55.48858	0.4
57.03439	2.2
61.02929	4.0
67.05509	6.3
69.03438	2.2
69.07066	3.5
69.58680	1.3
69.59093	1.6
71.01366	0.7
73.02921	2.4
79.05498	6.8
81.03412	2.6
81.07069	5.9
83.04981	1.1
83.08621	1.8
85.02912	4.3
91.03970	1.8
91.05481	5.9
93.07047	6.4
95.04984	1.7
95.08614	3.8
97.02899	2.2
97.06541	1.2
99.04477	0.8
101.02381	1.3
105.07044	6.1
107.04995	1.6
107.08611	2.2
109.02914	1.2
109.10189	0.9
110.73145	0.5
117.07032	1.3
119.08589	3.7
121.06500	0.5
121.10159	1.0
123.08094	0.8
127.03945	0.6
129.07027	1.3
131.08589	1.4
133.10143	2.6
135.11736	1.3
145.10144	1.1
147.11691	2.5
149.09737	0.6
159.11707	1.2
161.13263	1.4
171.11742	1.9
179.14458	0.7
185.04242	0.6
189.12776	0.6
211.76666	0.5
243.08395	3.6
247.13191	1.6
275.20270	0.8
283.15472	0.7
303.15762	0.8
315.19339	3.6
335.25925	1.1
371.21979	1.1
465.21048	10.6
533.27246	7.2
543.37219	0.9
757.41339	100.0
758.41748	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	758.381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.9
55.01878	8.9
55.05517	51.7
57.03447	24.1
57.07077	2.0
59.04991	5.3
61.02933	12.7
65.03920	2.4
67.05512	100.0
69.03441	9.3
69.07065	13.5
71.01345	3.0
71.04988	5.0
71.53750	2.2
73.02906	7.9
75.04468	1.6
79.05067	2.2
79.05500	29.3
81.03431	16.3
81.07067	34.1
83.04983	11.6
83.08629	24.8
85.02910	38.0
85.06541	5.5
86.09726	1.9
87.04484	8.6
91.03957	15.6
91.05477	13.5
93.07045	14.4
95.04983	9.1
95.08617	19.3
97.02895	14.6
97.06522	7.1
97.10173	35.7
99.04444	2.7
103.03954	18.1
105.07034	7.2
107.04937	7.8
107.08603	21.3
109.02900	2.8
109.06553	3.5
109.10168	73.0
111.04444	6.3
111.08073	4.6
117.07010	4.3
119.04982	1.9
119.08582	12.0
121.06477	4.4
121.10166	7.7
123.08096	4.1
125.09643	43.3
127.03926	8.4
129.05496	2.0
129.07007	1.6
131.08522	4.7
131.42934	1.5
133.10107	3.3
135.11693	9.3
137.09595	5.0
143.10678	12.6
145.04933	3.3
145.10117	6.7
147.04408	3.7
147.11676	3.5
148.04733	2.0
149.09666	2.9
153.12775	13.2
155.10683	7.9
163.06001	5.9
163.11195	13.9
173.04517	3.5
173.09586	3.1
173.10133	2.4
173.11760	38.0
181.12248	12.0
184.07373	1.8
189.11310	3.8
191.10703	7.5
193.12288	3.5
199.13345	8.5
206.30344	1.7
209.11749	16.0
211.13496	1.6
217.14389	5.9
227.12794	25.0
229.14380	79.1
245.13913	5.3
257.13867	35.0
267.15924	3.1
283.15436	38.2
301.16483	77.1
319.17535	13.3
399.23550	6.1
445.20251	1.7
461.28998	6.6
554.82794	1.8
561.29169	2.2
624.56940	1.6
756.29236	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	757.2184
Annotation	Isorhamnetin 3-xylosylrhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.03939	0.2
55.01878	0.2
55.05505	0.2
57.03438	2.5
57.14921	0.2
61.02919	0.7
67.05510	0.2
68.99796	0.2
69.03432	2.1
69.15666	1.9
71.01369	0.3
71.04994	8.3
73.02924	2.1
75.04482	0.5
81.03410	0.4
83.04989	1.3
85.02907	13.5
87.04482	0.4
92.02647	0.3
93.03396	0.4
95.60906	0.2
97.02887	3.3
99.04478	0.3
103.03931	0.2
106.31968	0.1
109.02864	0.4
111.00772	0.2
111.04454	1.0
113.02335	0.2
115.03944	1.2
121.02863	0.5
123.04472	0.2
127.03925	1.2
129.05482	3.5
133.04912	0.2
137.02287	0.2
138.23979	0.2
139.03899	0.8
144.79068	0.2
145.04971	0.8
147.06503	1.2
151.03943	0.6
153.01831	4.2
153.72502	0.2
157.04921	0.2
163.03894	0.2
163.06050	0.3
165.01823	0.5
165.05504	0.2
171.06563	0.2
177.05386	0.2
201.05551	0.3
218.05722	0.2
225.07611	0.9
228.04179	0.7
229.04956	1.5
245.04604	0.4
246.05270	0.9
257.04520	1.3
257.36960	0.2
260.03268	0.3
271.06003	0.7
272.06482	0.5
273.03958	0.7
274.04733	3.3
279.10641	0.2
284.03223	0.3
285.03970	2.8
287.05490	2.1
302.04224	11.7
303.04739	0.5
317.06558	100.0
318.06900	1.7
329.06546	0.3
359.07690	0.6
383.07758	0.2
413.08591	0.2
449.10233	0.3
479.11832	1.7
611.16156	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2187
Annotation	Isorhamnetin 3-xylosylrhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01885	0.2
55.05503	0.2
56.18103	0.1
56.71206	0.1
57.03190	0.2
57.03443	2.5
61.02935	0.8
69.03433	2.2
69.17953	0.1
70.97879	0.3
71.01347	0.3
71.05001	8.1
73.02924	1.8
75.04462	0.5
81.03421	0.5
83.04984	1.5
85.02911	13.1
87.04455	0.3
91.03958	0.2
92.02647	0.3
93.03414	0.5
94.95054	0.1
95.04953	0.2
97.02901	2.8
98.20792	0.2
99.04460	0.4
103.03953	0.3
109.02879	0.4
109.73921	0.1
111.04450	1.1
112.98981	0.2
115.03937	1.5
121.02891	0.4
127.03941	1.1
129.05495	3.4
130.98048	0.1
133.04988	0.3
139.03909	0.6
145.05011	0.8
147.06531	1.5
151.03903	0.6
153.01839	3.8
157.05005	0.2
163.03951	0.3
165.01819	0.4
169.04976	0.2
171.06587	0.2
176.73003	0.2
177.05553	0.2
177.75804	0.2
201.05510	0.2
203.03362	0.2
214.17299	0.2
217.04980	0.3
218.05655	0.2
225.07613	0.6
228.04207	0.4
229.04990	1.9
231.02873	0.3
245.04436	0.6
246.05186	0.7
257.04453	1.5
260.03143	0.2
271.06061	0.8
272.06473	0.5
273.03922	0.8
273.06625	0.3
274.04727	3.3
279.11124	0.2
284.03146	0.3
285.03952	2.7
287.05508	2.1
288.06253	0.3
301.07224	0.2
302.04239	10.0
303.04749	0.3
317.06573	100.0
318.06937	2.0
329.06769	0.2
331.23297	0.2
359.07544	0.5
465.92343	0.2
478.42868	0.2
479.11844	1.9
480.32816	0.2
611.15918	0.7
632.38593	0.2
670.25513	0.2
709.49677	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	757.2186
Annotation	Kaempferol 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.03936	0.2
55.01891	0.1
55.05501	0.1
57.03441	1.1
61.02919	0.3
67.01873	0.1
68.99802	0.3
69.03434	0.8
69.76561	0.6
71.04996	6.3
73.02916	0.3
73.83315	0.1
75.04469	0.4
79.05506	0.1
81.03414	0.3
81.40856	0.1
83.04971	0.7
85.02911	10.0
87.04462	0.3
97.02910	1.0
98.20799	0.2
99.04469	0.2
105.03386	0.1
107.04934	0.2
109.02874	0.4
111.00819	0.3
111.04459	0.5
119.04962	0.1
121.02854	0.8
121.51736	0.1
127.03911	1.0
129.05482	2.9
133.02846	0.1
135.04434	0.4
137.02354	0.4
145.04950	0.8
147.04437	0.1
147.06499	1.3
153.01839	2.8
157.06490	0.1
161.02328	0.2
163.05989	0.2
165.01849	0.8
171.02882	0.2
183.02904	0.3
213.05505	0.4
228.89926	0.1
231.06552	0.2
241.05002	0.6
255.08757	0.1
258.05304	0.4
259.05936	0.2
271.06042	2.0
272.06363	1.7
273.06631	1.0
287.05505	100.0
288.05832	1.7
302.04291	0.3
317.06549	1.5
329.06509	0.3
425.98587	0.1
435.09793	0.1
449.04541	0.2
449.10831	3.7
611.15997	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	757.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.2
55.05503	0.2
56.18103	0.1
56.71206	0.1
57.03190	0.2
57.03443	2.5
61.02935	0.8
69.03433	2.2
69.17953	0.1
70.97879	0.3
71.01347	0.3
71.05001	8.1
73.02924	1.8
75.04462	0.5
81.03421	0.5
83.04984	1.5
85.02911	13.1
87.04455	0.3
91.03958	0.2
92.02647	0.3
93.03414	0.5
94.95054	0.1
95.04953	0.2
97.02901	2.8
98.20792	0.2
99.04460	0.4
103.03953	0.3
109.02879	0.4
109.73921	0.1
111.04450	1.1
112.98981	0.2
115.03937	1.5
121.02891	0.4
127.03941	1.1
129.05495	3.4
130.98048	0.1
133.04988	0.3
139.03909	0.6
145.05011	0.8
147.06531	1.5
151.03903	0.6
153.01839	3.8
157.05005	0.2
163.03951	0.3
165.01819	0.4
169.04976	0.2
171.06587	0.2
176.73003	0.2
177.05553	0.2
177.75804	0.2
201.05510	0.2
203.03362	0.2
214.17299	0.2
217.04980	0.3
218.05655	0.2
225.07613	0.6
228.04207	0.4
229.04990	1.9
231.02873	0.3
245.04436	0.6
246.05186	0.7
257.04453	1.5
260.03143	0.2
271.06061	0.8
272.06473	0.5
273.03922	0.8
273.06625	0.3
274.04727	3.3
279.11124	0.2
284.03146	0.3
285.03952	2.7
287.05508	2.1
288.06253	0.3
301.07224	0.2
302.04239	10.0
303.04749	0.3
317.06573	100.0
318.06937	2.0
329.06769	0.2
331.23297	0.2
359.07544	0.5
465.92343	0.2
478.42868	0.2
479.11844	1.9
480.32816	0.2
611.15918	0.7
632.38593	0.2
670.25513	0.2
709.49677	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	757.2184
Annotation	Kaempferol 3-rhamnosyl-(1->2)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.03906	0.1
57.03437	0.6
61.02881	0.1
67.01852	0.1
68.09628	0.1
68.99781	0.2
69.03390	0.2
71.04996	3.6
71.05361	0.2
75.04445	0.2
81.03399	0.2
83.04961	0.2
85.02904	4.2
87.04465	0.1
97.02858	0.2
99.04442	0.2
107.04912	0.1
109.02866	0.1
111.04414	0.2
115.21481	0.1
121.02864	0.1
127.03873	0.4
128.65880	0.1
129.05487	0.8
135.04453	0.6
135.50928	0.1
137.02296	0.2
137.05934	0.1
141.01859	0.1
145.04900	0.1
147.04404	0.1
153.01839	2.4
161.02286	0.3
171.02855	0.3
179.03365	0.1
214.27242	0.1
241.05025	0.3
258.05222	0.1
259.06158	0.1
269.04361	0.2
271.06033	2.2
272.06363	1.6
273.06592	1.0
286.04703	0.1
287.05496	100.0
288.05801	1.5
303.04901	0.2
329.06479	0.2
331.04431	0.2
332.05258	0.1
347.07599	1.9
359.09314	0.1
433.11694	0.1
449.10815	21.1
450.11020	0.4
509.12726	0.3
595.16302	0.1
611.16077	15.2
612.16589	0.4
705.69739	0.1
757.21869	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	756.453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01867	5.7
55.05509	16.7
56.30528	1.8
57.03442	11.0
65.03940	1.9
67.05511	40.3
69.03426	2.4
69.07071	11.8
69.19136	10.5
69.19560	9.4
71.04980	6.0
73.02917	3.4
79.05496	47.3
81.03422	8.8
81.07066	40.4
83.04990	3.9
83.08620	15.5
85.02917	3.4
85.06557	2.7
91.05486	41.0
93.06483	3.3
93.07055	56.6
95.04977	10.0
95.08611	48.8
97.02884	4.3
97.06542	5.8
97.10157	2.4
99.04469	3.0
105.07040	44.3
107.04961	9.0
107.08591	37.7
109.06548	3.4
109.10175	10.3
111.04382	2.3
114.73849	2.1
117.07014	18.5
119.07803	3.4
119.08589	42.3
121.06510	7.6
121.10148	24.2
125.05988	2.9
129.07007	6.9
131.08598	12.4
133.10139	35.5
135.08066	6.2
135.11693	43.5
143.08591	7.9
145.10133	33.9
147.11714	21.8
149.09645	2.4
149.13274	6.5
157.10132	5.4
159.11671	11.5
161.13277	19.6
163.11186	52.8
171.11678	7.4
173.13303	8.3
175.14864	10.1
181.12239	10.7
185.13205	3.1
199.14949	2.8
213.16583	2.2
227.12801	68.4
231.21049	2.5
241.19521	19.2
259.20602	63.9
267.15939	8.6
269.17517	3.0
271.05896	2.5
275.20029	9.1
283.15408	62.1
284.15677	2.8
285.07568	4.4
285.16934	3.6
286.07922	5.1
291.19183	3.0
315.23099	7.7
333.24271	100.0
349.23697	4.7
406.42075	2.2
409.93274	2.6
541.35223	60.0
559.36389	16.1
586.29108	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	757.2189
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
55.05497	0.1
57.03446	1.4
61.02931	1.4
68.99779	0.2
69.03429	0.6
71.04998	7.6
71.52565	0.2
73.02888	0.4
75.04450	0.3
76.51920	0.1
81.03394	0.3
83.04942	0.4
85.02911	9.9
87.04456	0.2
91.03974	0.7
91.18768	0.1
97.02894	1.0
97.07664	0.1
99.04427	0.3
105.03355	0.2
107.04941	0.2
109.02873	0.3
111.00817	0.3
111.04418	0.4
115.03893	0.2
121.02872	1.5
127.03931	0.8
129.04633	0.2
129.05496	2.3
133.02843	0.3
137.02322	0.4
145.04921	0.5
147.04440	0.6
147.06526	0.6
151.03896	0.1
153.00758	0.1
153.01857	1.8
153.88863	0.1
157.06485	0.2
165.01826	1.0
171.04297	0.1
175.71234	0.1
183.02869	0.3
185.06029	0.2
202.19035	0.1
213.05496	0.8
231.06517	0.5
241.04918	0.6
258.05200	0.6
259.05945	0.3
269.04498	0.2
287.05511	100.0
288.05826	1.9
299.05490	0.2
329.06372	0.3
347.07587	0.2
353.06656	0.1
377.30020	0.1
449.10837	24.2
450.11172	0.5
611.16034	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.01859	2.2
55.05516	11.1
57.03441	8.1
65.03931	2.7
67.05167	2.7
67.05509	33.3
69.03403	2.0
69.07073	14.7
70.05328	8.2
71.04999	4.9
77.74718	1.4
79.05495	18.3
81.03423	4.7
81.07061	75.5
81.37468	1.4
83.04979	7.1
83.08617	9.8
85.02914	3.5
85.06537	6.8
91.05490	24.4
93.07038	14.8
95.04976	3.2
95.08612	16.6
97.02888	2.2
97.06535	6.8
97.10175	2.3
97.54884	1.5
99.04491	2.2
99.08113	4.9
101.06036	2.1
105.07034	29.2
105.07692	2.7
107.04938	2.3
107.08607	14.5
109.02889	2.6
109.06538	5.7
109.10162	5.4
111.04438	1.8
113.06001	2.0
119.08584	27.3
121.10154	23.9
123.08058	3.8
123.11717	31.3
127.07574	3.7
129.07034	2.2
131.08598	2.9
133.10129	5.0
135.11716	2.3
137.13312	3.0
139.62671	2.0
147.11696	75.3
148.12042	2.0
157.10170	3.2
165.12784	37.3
171.11717	1.8
175.11133	2.3
183.13846	4.8
193.12157	2.9
229.14368	14.1
267.15933	92.4
268.16177	2.0
271.05978	2.3
285.07770	8.4
285.16986	100.0
286.07907	7.1
336.80685	1.5
397.26028	2.5
455.30164	3.0
459.27432	2.3
464.58701	1.7
477.28522	11.8
485.14771	1.9
493.17410	5.7
495.29562	78.4
496.29657	3.4
511.18344	13.8
703.29840	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	756.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.01873	3.6
55.05260	1.2
55.05514	14.1
57.03442	9.2
65.33443	0.7
67.05175	1.2
67.05510	16.9
69.03423	3.2
69.07077	4.4
70.88190	1.5
71.01404	0.7
71.04981	3.7
79.05500	17.4
81.03423	46.2
81.07059	17.0
83.04986	3.7
83.08624	16.2
85.06532	1.6
91.05487	16.0
91.06020	1.4
93.07051	15.1
95.04975	17.9
95.08603	7.4
97.02890	0.9
97.06540	2.8
97.10172	18.2
103.05422	1.0
103.60522	0.9
105.07026	12.8
107.04973	13.4
107.08597	9.8
109.06522	9.2
109.10179	3.7
111.04412	1.6
111.08086	4.4
117.07010	4.7
119.04956	1.6
119.08595	10.3
121.06515	10.0
121.10143	7.3
123.04444	1.7
123.08067	3.9
123.11706	1.8
125.05979	1.3
125.09631	15.3
128.06233	0.9
129.07007	8.7
131.04962	1.3
131.08578	10.5
133.06505	3.9
133.10138	3.3
135.08061	3.8
135.11699	1.3
137.05986	1.5
137.09613	1.8
141.06987	1.9
142.07803	0.9
143.08559	2.6
143.10701	0.8
145.06491	4.9
145.10135	3.1
147.04445	1.9
147.08052	4.8
147.11687	5.7
147.79442	0.8
149.05930	0.8
149.09592	4.4
153.09145	3.7
155.08600	1.9
157.06540	1.1
157.10115	6.8
159.08073	1.9
159.11708	1.5
161.09680	1.5
163.11229	3.7
165.12807	1.1
166.28061	0.7
167.10710	1.5
169.10155	2.0
171.08051	3.1
171.10269	1.2
171.11729	2.3
173.09645	1.4
173.13240	1.1
174.76015	0.9
175.07550	0.9
175.11191	5.4
177.12704	1.0
183.08002	1.1
183.11703	1.0
185.13297	1.7
187.11237	1.7
187.14815	1.7
189.09444	1.1
189.11249	6.5
189.12764	1.4
191.14363	1.0
193.12257	14.3
195.08047	0.9
195.11655	1.6
197.13222	1.8
199.11244	2.8
199.13290	0.7
205.12241	1.9
209.09607	1.1
209.13374	0.8
211.11349	0.8
211.13335	1.7
213.12724	1.7
215.14354	1.7
217.12408	1.9
219.13869	2.4
223.13268	1.0
225.12717	0.9
227.12743	1.6
231.13754	2.0
233.15314	4.5
235.13194	1.2
237.12808	1.3
241.14282	1.0
245.15497	1.0
249.14906	1.8
251.14139	1.1
255.13907	2.1
259.13470	1.9
261.14914	0.8
267.15918	40.0
273.14795	6.5
275.16483	1.1
285.07715	1.3
293.03452	0.7
293.17468	1.1
309.25253	0.8
321.22110	1.0
338.52530	0.7
339.23312	2.1
349.21704	4.6
357.24338	2.2
367.22696	12.7
385.23776	20.7
386.23947	1.2
403.24857	7.6
403.69165	0.7
441.26404	9.6
459.27444	100.0
460.27716	4.2
477.28510	94.3
478.28857	2.7
491.30054	13.0
501.28558	1.6
509.31277	8.1
541.33514	1.3
567.29364	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	755.2392
Annotation	Acacetin 7-O-[2'''-O-rhamnosyl-2''-O-glucosylglucoside
Peak:m/z	Relative Intensity
55.01878	0.1
55.05506	0.1
57.03444	0.6
61.02924	0.1
63.70203	0.1
64.55167	0.1
67.05500	0.1
67.61678	0.1
68.99802	0.1
69.03421	0.3
70.06618	0.1
71.01352	0.1
71.04996	2.8
71.53761	0.1
73.02897	0.1
75.04476	0.2
79.05486	0.1
81.03413	0.2
81.07063	0.2
82.31973	0.1
83.04959	0.2
85.02908	3.9
87.04479	0.1
89.12388	0.1
95.08607	0.2
96.05256	0.1
97.02903	0.2
99.04450	0.1
102.15728	0.1
102.97422	0.1
105.06983	0.1
107.04908	0.1
107.08593	0.1
109.02892	0.1
109.10149	0.1
111.04447	0.1
119.04922	0.1
119.08585	0.1
121.06532	0.1
123.04436	0.1
127.03900	0.2
129.05473	0.8
133.06494	0.7
134.41052	0.1
135.04399	0.3
137.05963	0.2
145.04977	0.2
147.04416	0.4
147.06554	0.3
153.01830	1.1
159.04425	0.4
167.07095	0.1
171.02898	0.2
177.05469	0.2
183.48123	0.1
239.07202	0.1
242.05740	6.7
243.06371	0.2
270.05246	7.7
271.05963	0.3
274.70251	0.1
285.07578	100.0
286.04785	0.2
286.07901	1.7
297.07666	0.1
301.03598	0.1
301.07062	2.3
327.08588	0.1
395.11349	0.1
431.13251	0.2
447.06616	0.2
447.12903	4.4
566.21344	0.4
598.23926	0.4
609.18146	5.1
673.24683	0.1
755.25208	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	755.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.1
57.03437	0.6
57.94449	0.1
67.01874	0.2
68.99802	0.3
69.03416	0.2
70.56702	0.2
70.57057	0.2
71.04995	3.0
73.02929	0.1
83.04969	0.2
85.02910	4.1
91.05499	0.1
95.01309	0.2
97.02876	0.3
99.04478	0.1
101.86974	0.1
111.04459	0.1
112.12202	0.1
119.04961	1.3
121.02888	0.5
127.03939	0.1
129.05472	0.7
141.01834	0.9
145.02861	0.4
145.04948	0.2
153.01826	3.1
163.03902	0.2
171.02873	0.3
203.07007	0.2
225.05478	0.3
229.05103	0.2
243.06561	0.2
247.06192	0.1
271.06015	100.0
272.06354	1.7
313.07138	0.2
433.11407	1.5
609.14532	6.9
610.14716	0.2
755.20074	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	755.239
Annotation	Acacetin 7-O-[2'''-O-rhamnosyl-2''-O-glucosylglucoside
Peak:m/z	Relative Intensity
57.03446	0.6
59.46830	0.1
61.02927	0.2
67.01896	0.1
68.99809	0.1
69.03430	0.3
69.33766	0.7
71.04997	3.2
75.04479	0.2
81.03413	0.2
83.04974	0.3
85.02910	5.0
90.18800	0.1
97.02897	0.5
99.04481	0.2
99.52306	0.1
109.02893	0.2
111.04453	0.2
127.03917	0.4
129.05484	1.0
133.06526	0.7
135.04422	0.4
145.04964	0.3
146.71786	0.1
147.06535	0.4
153.01828	1.2
159.04390	0.3
162.47517	0.1
163.06099	0.1
168.29787	0.1
171.02872	0.2
239.07112	0.2
242.05746	7.3
243.06143	0.1
270.05243	7.9
285.07584	100.0
286.07935	0.9
327.08713	0.2
395.11154	0.1
429.11954	0.1
431.13235	0.2
447.12894	3.4
609.18164	5.9
755.24536	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	754.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	10.3
53.04155	2.4
55.01870	4.1
55.05516	25.8
55.36101	1.6
57.03444	11.8
57.07057	2.0
65.03929	3.6
67.05509	70.5
69.03429	3.9
69.06727	2.0
69.07072	20.8
69.27136	10.8
69.27547	3.1
71.04981	4.7
73.06561	2.5
77.03934	2.1
79.05499	93.0
81.03404	7.4
81.07061	65.2
83.04992	13.9
83.08612	11.3
85.02917	2.2
85.06548	3.9
91.05488	95.0
93.07047	100.0
95.04980	18.2
95.08611	46.1
97.02895	2.0
97.06519	7.2
97.08791	1.7
97.10164	4.5
98.21452	3.5
99.08089	3.8
103.05470	2.7
105.04522	3.1
105.07034	86.4
107.04944	6.9
107.08604	36.7
109.06499	8.9
109.10147	10.4
111.08023	3.4
117.07031	26.9
119.08590	63.1
121.06513	4.1
121.10139	18.5
123.08068	7.2
127.07554	2.7
128.06221	4.2
129.07016	25.3
131.08575	23.6
133.10138	40.0
135.11690	13.9
143.08554	19.1
144.09247	1.6
145.10130	27.2
147.08005	4.8
147.11699	67.2
149.09602	3.4
149.13297	9.9
151.11122	2.7
155.08492	3.8
156.09326	2.0
157.10132	10.7
159.11708	17.8
161.09665	2.8
161.13268	37.9
163.11151	2.3
163.14847	2.3
169.10129	2.5
171.11691	33.2
173.13278	9.8
175.11041	1.7
175.14844	12.6
176.86620	1.7
177.12735	2.6
179.14247	2.2
181.10048	2.0
183.11703	2.1
185.13229	7.6
187.14806	2.5
189.12703	9.0
189.16263	2.1
197.13249	3.4
199.14787	6.6
201.16309	2.2
207.13841	21.7
213.16473	3.3
231.21098	5.5
241.19528	30.3
246.57297	1.7
257.18954	3.3
259.20575	63.5
261.22083	3.4
264.63559	1.9
279.16006	13.6
281.17477	66.7
315.23172	5.6
331.22781	1.7
333.24234	44.9
429.31683	1.8
447.32559	9.5
465.33594	6.9
483.34430	5.4
521.36023	4.5
529.38232	3.3
539.37341	83.9
540.37067	3.5
557.38422	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	752.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.01880	1.3
55.05508	8.2
57.03440	14.6
57.07079	32.2
63.28096	1.0
65.60273	1.1
67.05512	17.1
68.79028	1.0
69.03429	2.9
69.07073	8.8
71.04990	1.5
71.08633	24.1
73.28465	1.1
74.09741	1.6
79.05492	9.1
81.03422	64.5
81.07056	16.6
83.04982	2.8
83.08626	19.6
85.02911	1.7
85.10182	14.8
85.40536	1.1
87.04427	1.4
89.06057	2.2
91.05487	12.6
93.07039	6.6
95.04975	20.0
95.08605	21.3
97.02852	1.6
97.06513	2.9
97.10152	6.9
99.08141	1.4
103.07600	1.4
105.07051	8.0
107.04939	3.4
107.08587	4.7
109.06521	2.7
109.10175	10.1
111.04458	2.0
111.08093	5.4
111.11721	1.5
114.74203	1.1
119.08572	10.0
121.06512	2.2
121.10136	4.5
123.11719	3.2
129.07030	7.2
131.08563	6.4
133.06497	3.5
133.10123	3.1
137.13272	1.4
142.07785	1.6
145.10146	1.2
147.08054	2.6
147.10660	1.2
147.11665	6.1
147.67506	1.1
149.09628	4.1
157.10139	8.0
165.12682	1.7
171.11784	1.3
175.11218	8.4
193.12253	26.8
211.13268	1.3
239.23660	2.7
249.14917	1.8
257.24710	2.0
267.15933	100.0
268.16180	2.3
306.28119	1.6
313.27386	94.7
314.27771	1.4
505.38910	77.7
506.39175	1.1
523.39795	2.2
547.39520	3.4
623.27905	2.3
679.95886	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.4
55.01874	8.2
55.05512	7.8
57.03431	1.9
57.07071	0.5
59.05003	0.5
60.77035	0.4
62.69160	0.4
65.03936	1.5
67.05504	19.2
68.22789	0.4
68.51043	0.4
69.03442	0.8
69.07067	12.1
70.68955	0.4
71.04996	1.0
71.08627	0.4
73.06564	0.4
76.09971	0.4
79.05493	21.8
81.03415	4.5
81.07057	23.7
83.04978	5.3
83.08617	3.2
85.02914	0.5
85.06550	0.8
91.05481	27.0
93.07046	22.3
95.01321	3.1
95.04974	6.1
95.08603	13.7
97.06532	20.2
97.10170	1.2
98.21507	1.3
103.05510	0.5
105.07030	33.4
107.04959	7.6
107.08588	7.6
109.02875	0.4
109.06495	2.4
109.10140	3.0
111.04431	0.6
111.08083	1.3
115.05442	0.8
116.66068	0.4
117.07013	6.4
119.08584	18.0
121.06512	1.5
121.10139	3.5
123.04440	1.1
123.08064	3.5
123.11716	0.8
125.09615	1.0
127.07600	0.5
128.06241	0.9
129.07001	4.6
131.08562	7.4
133.06551	0.6
133.10127	17.2
135.08073	1.3
135.11688	2.9
137.09615	1.2
139.07520	0.6
141.07008	1.1
143.08556	3.6
145.06462	1.0
145.10126	7.1
147.08035	1.4
147.11682	12.3
149.09622	3.6
149.13281	1.7
151.11194	0.8
155.08517	0.5
157.10149	0.9
159.08115	0.5
159.11708	5.3
161.09642	1.2
161.13228	5.0
163.11192	2.8
165.09167	0.8
169.10153	1.1
171.11688	6.2
173.13281	1.5
175.14796	0.5
177.12775	1.6
179.14319	5.5
183.11685	0.8
187.11208	1.2
189.12805	1.8
197.13341	0.6
207.13817	4.1
229.19463	0.6
239.17943	0.8
241.19682	0.5
243.20549	0.4
247.20604	1.3
253.39893	0.4
257.18988	2.4
259.20602	1.1
263.16568	0.9
275.20056	33.1
279.15970	3.5
281.17471	25.9
282.17950	0.5
293.21204	2.6
349.23730	16.4
353.68204	0.4
377.23337	0.6
459.30878	0.6
537.35974	2.3
555.36804	100.0
556.37170	3.6
573.38123	1.1
574.54633	0.5
699.40399	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.9
53.05611	3.5
55.05527	17.5
57.03439	10.3
57.07079	40.3
62.76188	3.2
67.05515	37.8
69.07081	17.7
71.08650	25.4
79.05494	32.0
81.07071	50.4
83.08627	15.4
83.98137	3.7
85.02946	4.7
85.10188	12.6
87.04467	10.6
89.06032	3.5
91.05491	39.2
93.07058	31.4
95.04971	5.8
95.08620	45.4
97.02914	4.0
98.20749	13.2
104.52290	4.5
105.07042	45.7
107.08611	25.4
109.10154	15.6
117.07056	9.5
119.08578	38.5
121.10136	8.9
123.11741	8.2
129.07056	10.7
131.08603	22.4
133.10138	29.4
135.11734	13.0
143.08572	12.7
145.10115	18.7
145.27437	3.9
147.11702	31.0
149.09639	4.9
149.13283	6.9
157.10179	5.9
159.11742	16.2
161.13248	29.9
171.11757	11.6
173.13297	8.4
175.14833	13.4
176.22099	3.5
185.13281	7.8
194.14661	3.6
199.14825	5.2
229.46231	4.0
231.21233	6.3
240.04283	3.6
241.19568	23.1
259.20609	72.0
306.28107	5.2
313.27393	100.0
315.23209	6.3
333.24292	47.4
441.26581	4.8
459.27539	3.9
501.41418	4.1
571.47089	12.2
587.45740	4.0
589.48279	34.2
639.50610	4.4
679.49316	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	751.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	16.5
55.01876	20.6
55.05270	3.1
55.05512	42.1
57.03436	15.6
57.07056	3.0
61.02903	4.0
62.90016	2.4
63.57598	2.6
65.03958	3.7
67.05508	87.7
69.03423	21.2
69.07076	37.3
71.05001	7.0
71.53745	4.0
79.05495	93.7
81.02991	4.5
81.03424	65.0
81.07060	86.8
83.04984	23.9
83.08621	24.5
85.02904	16.3
85.06525	7.8
91.05485	89.3
93.06483	5.6
93.07049	100.0
95.04967	50.2
95.08612	40.1
97.02868	15.4
97.06522	11.6
97.10176	20.9
99.04400	3.5
105.04494	5.2
105.06321	3.6
105.07032	66.2
107.04944	20.9
107.08596	45.7
109.02879	9.9
109.06516	14.9
109.10150	18.7
111.04423	8.0
111.08064	9.1
115.05435	5.0
117.07014	23.7
119.08583	49.7
121.06499	12.7
121.10141	17.2
122.19070	3.0
123.08065	27.6
123.11688	5.4
125.09645	23.5
127.03912	6.7
127.07580	3.4
128.06227	4.6
129.07005	30.3
131.08591	27.2
133.06532	5.7
133.10135	19.1
135.08066	11.0
135.11662	6.6
137.09570	6.7
141.06963	3.7
142.07791	4.6
143.08554	15.5
145.06477	6.3
145.10115	21.3
147.08064	16.9
147.11699	35.2
149.09604	7.4
151.11104	3.7
155.08499	3.9
156.09355	3.6
157.10138	12.9
159.08090	4.6
159.11719	10.0
161.09583	10.7
161.13239	12.5
163.11145	6.2
165.09181	6.7
169.10133	3.9
171.08043	5.9
171.11699	28.4
173.04430	4.5
173.13228	6.8
175.11201	10.9
181.10123	5.4
185.13199	4.9
187.13254	5.3
189.11221	11.1
189.12773	10.4
191.10564	3.6
193.12279	13.1
195.11731	4.4
199.14876	4.4
201.75787	2.8
207.13774	28.2
211.13251	9.1
223.13208	16.7
225.14813	3.3
227.12778	22.9
241.16071	3.2
245.19054	4.1
249.14929	4.2
267.15741	13.8
269.15463	6.0
273.18494	32.2
275.19907	6.2
279.16071	4.5
281.17474	79.9
285.16974	6.2
287.16455	3.8
291.19562	93.5
292.19772	4.7
305.17618	3.2
313.47797	2.9
347.22198	8.5
365.23264	38.5
383.24371	3.7
392.79453	3.0
429.21283	4.2
451.27130	3.0
473.29111	36.8
491.29843	11.3
498.62360	2.6
553.35260	10.9
560.65314	2.7
571.36340	92.3
572.36127	4.7
589.37256	8.3
635.34113	5.1
697.40173	3.4
751.47406	3.6
766.63275	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	745.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59692	0.4
53.03952	0.8
53.21517	0.4
53.27669	0.5
55.05516	2.0
55.48664	0.4
57.03437	1.8
61.02930	6.0
65.03956	0.4
67.05516	6.2
68.05846	0.5
69.03431	3.6
69.07074	2.0
71.04993	1.0
73.02921	4.6
79.05493	5.2
81.03418	2.1
81.07062	6.9
83.04982	0.7
83.08626	1.1
85.02911	6.6
85.06573	0.4
87.04459	0.4
91.03965	3.4
91.05488	3.1
93.07049	6.1
94.07385	0.5
95.04967	1.1
95.08620	4.8
96.08951	0.5
97.02899	5.9
97.10142	0.5
98.20638	0.8
99.04484	1.4
101.02394	1.8
105.07021	2.4
107.08614	3.4
109.02889	1.0
109.10154	2.2
117.07051	1.4
119.08614	1.8
121.10178	2.6
123.11723	0.9
124.99981	0.6
127.03957	1.8
131.08588	1.4
133.10129	0.9
135.11723	1.9
144.05197	0.5
145.10107	2.0
147.04424	0.7
147.11690	0.6
154.11900	0.5
159.11684	0.7
161.13297	0.5
163.11205	2.1
181.12230	0.5
183.19337	0.5
184.07396	0.8
185.04236	0.7
227.12856	1.1
243.08435	2.6
249.10989	11.8
249.13394	0.7
305.13605	1.1
335.25986	1.3
367.77661	0.6
467.18967	6.4
519.29260	9.9
528.91431	0.6
547.39368	0.5
548.39978	0.9
745.41357	100.0
746.41693	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	744.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.8
55.01874	2.3
55.05512	14.2
57.03436	6.8
57.07079	1.5
59.04734	0.6
59.05004	2.6
59.96009	0.6
61.02919	3.3
63.23025	0.6
65.03952	3.1
67.05505	94.0
67.64752	0.6
69.03432	2.2
69.07075	12.0
69.22455	6.4
71.04995	19.0
71.08623	0.9
73.02915	1.3
79.05493	35.5
81.03426	3.5
81.07059	45.0
83.04984	4.5
83.08619	9.1
85.02926	2.9
85.06541	3.6
91.03938	1.1
91.05485	24.5
93.07047	44.3
95.04960	3.9
95.08609	32.0
97.02904	1.4
97.06535	5.0
97.10162	3.5
99.08101	1.4
105.04580	0.9
105.07031	13.3
107.04993	1.1
107.08599	23.8
107.71799	0.7
109.06520	1.8
109.10161	62.8
111.08099	2.1
117.07014	5.4
117.47732	0.6
119.08587	18.6
121.10143	16.4
123.08115	0.9
123.11722	3.0
129.07001	1.3
131.08572	7.4
133.10139	8.8
135.08037	0.9
135.11691	15.7
137.09630	7.4
139.11240	0.8
143.08566	1.0
145.10127	7.8
147.11714	4.8
149.13274	2.8
151.11246	1.0
155.10686	4.2
159.11728	3.3
161.13277	3.2
163.11176	3.6
163.14775	1.0
165.12794	0.7
169.12315	0.8
171.11685	0.7
173.11772	7.3
173.13304	2.9
175.14850	1.1
180.43423	0.7
181.12346	1.8
184.07521	0.9
185.13206	0.7
186.12752	1.2
187.13252	1.6
187.14790	1.3
199.13252	1.1
199.14987	0.8
201.16510	0.8
211.13278	0.7
213.14896	1.1
227.12845	0.8
229.14346	1.8
241.19533	0.7
243.15962	2.0
243.96979	0.6
255.15877	5.5
261.22241	2.9
265.62390	0.6
267.15976	0.8
269.17340	0.8
285.17020	1.2
286.17276	0.7
287.18506	17.9
287.23419	0.9
314.90094	0.8
317.24759	0.9
333.24298	0.7
335.25806	28.8
337.27441	2.4
471.34875	2.9
489.35773	100.0
490.36200	3.5
503.37564	2.2
515.37335	14.0
515.44434	1.4
516.38245	0.8
519.45490	0.9
533.38763	1.3
547.39960	90.4
548.40540	2.7
650.21136	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.9
55.01878	7.9
55.05511	31.3
57.03442	21.8
60.08165	3.3
60.95609	1.7
61.02924	4.5
65.03938	4.4
67.05506	98.3
69.03425	9.3
69.07066	41.6
69.24117	1.5
71.01356	4.1
71.04990	7.0
73.02924	3.5
79.05495	74.4
79.76101	1.5
80.16107	1.6
81.03423	13.9
81.07060	68.9
83.04987	18.5
83.08622	14.9
85.02919	8.2
85.05774	1.7
85.06565	5.3
86.09724	10.4
88.54049	1.5
91.03978	2.3
91.04903	2.1
91.05483	50.9
93.07048	89.6
95.04972	12.6
95.08611	28.2
97.02895	5.3
97.06535	27.0
97.10168	22.3
98.97575	1.7
99.04443	3.0
99.08099	3.2
103.75601	1.8
105.04549	1.7
105.07037	30.4
107.04971	13.5
107.08595	61.1
109.02899	4.0
109.05853	1.7
109.06541	6.8
109.10149	15.5
111.08081	7.6
117.07016	15.9
119.08580	28.9
121.06506	6.4
121.10151	18.9
123.08104	3.8
123.11698	4.2
125.00010	3.1
125.09658	12.3
127.03935	4.4
129.05482	2.2
129.06998	4.5
131.08560	16.9
133.10146	22.7
135.08078	6.3
135.11697	65.8
137.06009	2.1
137.09618	4.8
139.11188	2.1
141.06996	3.2
143.08571	4.7
145.10127	24.1
147.11693	11.4
149.02380	3.4
149.09621	16.9
149.13300	6.4
151.11224	2.5
153.12784	3.3
155.08487	2.4
157.10080	4.0
159.11671	12.3
161.13271	4.9
163.11188	17.0
169.10146	3.0
171.11667	4.4
173.04593	3.0
173.11896	2.3
173.13293	6.4
173.96916	1.9
175.11121	2.3
177.12778	2.0
179.14282	2.3
181.12224	14.7
183.11731	2.3
184.07353	37.0
185.13264	2.2
189.11224	5.2
193.04964	4.7
195.13864	3.5
199.13248	2.4
211.15091	1.7
211.52362	1.6
227.12819	19.4
229.19530	2.1
239.18083	4.2
253.14499	2.7
255.15918	97.3
257.19012	13.8
269.17548	13.0
275.17279	3.3
275.20078	40.9
293.21164	3.1
331.22504	4.2
349.23734	28.9
351.21722	2.6
367.24551	2.1
397.20404	1.9
409.25854	4.8
425.25345	12.0
433.29434	4.1
435.27496	26.0
449.28961	100.0
450.29315	2.2
489.31906	2.2
501.35901	2.3
511.34091	3.8
529.35291	64.1
530.35266	1.9
547.36414	11.4
569.29608	2.4
593.32935	3.6
691.39398	2.4
726.43127	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	743.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01862	0.6
55.05515	2.2
57.03440	1.8
57.07064	0.5
61.02924	5.3
65.03951	0.6
67.05505	7.0
69.03439	2.6
69.07076	1.8
71.01344	0.5
71.04986	0.5
71.08626	0.6
73.02919	3.5
73.13934	0.3
73.20698	0.3
77.58056	0.3
79.05495	5.0
81.03437	1.9
81.07061	7.2
83.04983	0.8
83.08610	1.5
85.02909	5.2
86.52757	0.3
87.04453	0.6
91.03957	3.4
91.05482	4.3
93.07044	6.0
95.05000	1.2
95.08614	5.4
97.02892	4.4
97.06528	0.4
97.10158	0.7
99.04446	1.0
99.08067	0.4
101.02387	1.5
105.07034	1.9
107.04985	0.5
107.08589	2.2
109.06515	0.4
109.10143	2.1
111.37499	0.3
115.03937	0.6
117.06977	0.6
119.04974	1.8
119.08570	1.8
121.10136	1.8
123.11773	0.5
127.03931	1.3
129.07030	0.8
131.08598	0.9
133.10139	1.3
134.21727	0.4
135.11691	1.6
135.68159	0.3
143.08611	0.4
145.10153	1.0
147.04414	11.1
147.11661	1.6
149.09537	0.4
149.13251	0.8
159.11722	0.4
161.13284	0.8
168.10060	0.3
171.11749	0.9
179.14351	0.7
185.04228	0.5
203.05324	0.7
243.08441	2.0
247.13155	1.4
277.21750	0.3
303.15765	0.5
311.25580	0.4
335.26031	0.5
379.57639	0.3
465.20984	5.8
478.60727	0.3
519.29193	6.0
519.36151	0.6
545.38336	0.8
561.45575	0.5
564.21033	0.3
579.46149	0.9
645.46124	0.3
646.26697	0.9
743.43402	100.0
744.43640	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	742.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.7
55.05516	26.2
57.03442	17.3
57.07072	4.7
61.02927	5.0
65.03938	3.5
67.05509	89.8
69.07070	29.0
69.21886	8.6
69.22305	12.2
71.04992	7.8
77.03967	2.4
79.05495	82.7
81.03412	10.7
81.07059	100.0
83.04974	8.7
83.08630	24.7
85.02911	5.4
85.06538	8.0
86.09713	3.4
91.05487	72.7
93.06487	5.2
93.07050	92.1
95.04977	14.3
95.08612	48.4
97.02887	4.3
97.06527	11.5
97.10172	5.9
98.20743	5.8
99.08096	2.6
100.57538	2.5
101.06000	2.6
105.04530	3.6
105.07034	60.1
107.08601	51.3
109.10178	16.5
111.08096	7.3
117.07008	23.0
119.04938	3.6
119.08585	52.4
121.06552	4.8
121.10152	30.8
123.08065	2.9
123.11698	10.3
125.09563	2.9
129.06999	12.4
131.08592	24.6
133.10135	51.2
135.08072	4.4
135.11705	27.4
137.09599	3.5
137.58212	2.6
142.07753	3.9
143.08597	11.4
145.10127	18.1
147.04443	7.5
147.11713	37.0
149.09660	3.9
149.13255	24.5
151.11140	4.5
157.10121	11.1
159.11674	22.6
161.13287	19.1
171.11644	9.9
173.13264	7.8
175.11191	3.1
175.14842	8.0
177.12784	5.2
184.07356	9.2
185.13242	6.3
187.14804	3.8
195.13831	18.8
199.14789	7.9
203.14290	3.2
241.19467	26.1
257.18936	3.3
258.24390	2.9
259.20581	72.1
261.22162	3.7
267.15924	13.3
269.17474	91.6
270.48718	3.4
275.20050	4.2
285.16937	4.7
315.23099	7.1
333.24255	74.7
335.25766	13.5
435.32562	8.7
453.33163	4.8
509.36130	5.1
527.37384	74.6
544.37134	4.1
545.38300	26.8
597.56641	2.5
599.53717	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	742.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
55.01863	3.0
55.05266	1.1
55.05516	16.9
57.03442	11.7
57.07069	2.2
61.02924	2.0
65.03934	2.6
67.05508	45.2
68.05845	1.0
69.03441	3.8
69.07072	14.7
71.05011	3.9
73.02940	1.3
79.05497	34.4
81.03425	39.9
81.07062	49.1
82.07387	1.5
83.04980	11.6
83.08620	20.1
85.02918	13.2
85.06535	2.3
91.03952	0.9
91.05488	32.8
93.07049	35.8
94.07360	1.3
95.04974	20.1
95.08614	31.5
96.08890	1.0
97.02881	3.9
97.06537	4.4
97.10172	5.1
99.08068	1.4
105.04534	1.0
105.07039	21.6
106.07382	0.7
107.04958	4.3
107.08602	21.3
108.47824	0.8
109.06515	5.2
109.10165	14.0
111.04444	1.8
111.08080	7.6
113.06001	2.1
117.07012	5.3
119.04922	1.1
119.08591	22.2
121.06482	1.3
121.10151	18.8
122.10462	1.2
123.08063	2.1
123.11671	5.3
125.05933	0.8
125.09631	2.1
129.07008	7.8
131.08578	14.2
131.49033	0.9
133.06458	1.9
133.10144	14.9
135.08064	2.2
135.11682	9.6
136.12054	1.2
137.05963	0.9
137.09613	2.3
137.13257	1.0
142.07773	1.9
145.10143	7.4
147.04404	3.7
147.08049	2.4
147.11693	14.6
149.09642	5.4
149.13263	3.8
151.11235	1.7
157.10133	10.2
159.11716	3.6
161.13248	3.4
163.11177	4.3
163.14803	1.6
164.11588	0.9
165.12758	4.3
171.11682	0.8
173.13278	3.5
175.11206	9.9
185.13257	0.7
187.14755	1.3
193.12250	27.4
195.13840	1.1
203.40077	0.8
211.13307	38.7
212.13493	0.8
227.12805	4.2
228.13124	2.1
229.55466	0.8
243.21054	2.2
253.14349	0.8
261.22101	7.1
267.15921	14.0
275.19977	4.0
277.90222	0.8
278.42136	0.8
283.15393	2.6
284.15741	3.2
285.16983	44.1
317.24667	2.6
335.25815	52.9
336.26093	3.6
337.26364	1.6
344.64957	0.8
435.32443	1.0
453.33524	2.2
471.34579	1.2
474.14700	0.8
509.36008	0.9
527.37415	10.2
543.37024	1.1
544.36493	1.7
545.38379	100.0
546.38641	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	742.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.4
55.01868	2.8
55.05271	1.7
55.05515	20.9
56.13669	0.9
57.03437	17.1
57.07081	1.9
61.02928	5.3
63.05898	1.0
65.03946	3.1
67.05510	50.9
69.03423	3.9
69.07072	15.5
71.04992	4.5
79.05019	1.4
79.05497	44.4
81.03423	56.6
81.07060	55.5
83.04980	14.0
83.08623	22.9
85.02908	25.4
85.06563	2.3
91.03989	1.6
91.05489	41.9
92.67010	1.4
93.07047	45.7
95.04976	24.3
95.08614	33.7
97.02900	4.4
97.06538	4.4
97.08266	1.0
97.10170	4.9
99.04507	1.2
99.08089	1.3
105.07038	27.3
107.04980	6.2
107.05604	1.3
107.08595	19.7
109.06511	5.4
109.10167	15.1
111.04485	1.8
111.08072	9.1
113.06024	1.6
114.80024	1.3
115.05450	1.8
117.07027	4.9
119.04953	1.1
119.08590	27.2
121.10141	18.2
123.08084	2.4
123.11724	3.7
125.09630	2.2
129.06987	9.4
131.08562	16.2
133.06528	1.5
133.10138	16.6
135.11716	7.2
137.13272	2.3
142.07794	2.8
145.04974	1.4
145.10126	6.9
147.08076	3.0
147.11700	17.1
149.09628	5.0
149.13281	5.1
157.10139	14.2
159.11696	4.0
161.13272	3.9
163.11172	1.5
163.14853	1.7
165.12712	3.1
167.90628	1.1
173.13306	3.1
175.11197	13.1
187.14772	1.7
193.12251	41.7
204.63724	1.2
211.13304	69.3
212.13567	2.0
227.12778	1.2
243.21185	3.1
261.22183	8.5
267.15933	16.9
276.22397	1.3
285.16980	80.8
299.23669	1.4
317.24820	3.4
335.25809	75.1
400.04062	1.2
435.32449	2.7
447.55576	1.2
453.33511	2.2
471.34848	1.6
527.37262	14.0
545.38397	100.0
546.38666	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	742.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
55.01868	3.1
55.05511	16.9
57.03442	13.7
57.07065	1.5
59.05013	0.9
61.02923	3.7
65.03933	2.9
67.05509	51.9
68.05843	0.7
69.03439	3.7
69.07068	12.5
71.05010	5.0
73.02913	1.8
79.05497	40.9
81.03424	38.8
81.07063	50.9
83.04983	12.7
83.08624	19.0
85.02906	20.9
85.06535	1.9
91.03960	1.1
91.04894	1.2
91.05485	33.7
93.07049	41.3
95.04369	0.9
95.04972	17.8
95.08611	35.0
97.02884	3.9
97.06529	4.6
97.10168	3.9
99.08110	1.1
103.05447	0.9
105.04543	0.8
105.07037	25.7
107.04969	4.4
107.08601	20.5
109.06533	4.5
109.10164	13.1
111.04415	1.6
111.08085	7.2
113.05994	1.2
115.05444	1.0
117.07019	5.1
119.04955	0.9
119.08585	20.5
121.06499	1.3
121.10153	17.6
123.08075	2.7
123.11740	3.2
125.09629	2.3
127.07645	0.7
129.07013	6.9
131.08583	15.7
133.06485	2.6
133.10139	12.7
135.08080	1.1
135.11714	7.8
137.09608	1.5
137.13298	1.2
142.07851	1.7
143.08575	0.8
145.10135	6.6
147.08055	2.6
147.11693	12.2
149.09665	3.9
149.13275	4.9
151.11234	1.2
155.08672	1.2
157.10144	9.0
159.11684	3.6
161.13261	2.9
163.14842	1.2
165.12802	2.7
171.11688	1.1
173.13271	3.3
175.11220	9.8
175.14909	1.2
177.12686	0.8
183.11629	0.8
184.07346	1.7
187.14825	1.4
193.10451	1.6
193.12247	31.0
199.14825	0.8
201.16414	0.6
211.13301	39.0
212.13663	1.0
229.20044	0.8
243.21162	2.3
261.22177	8.6
267.15927	13.4
269.17474	0.8
285.16977	48.2
299.23795	0.7
300.94986	0.7
317.24832	2.8
335.25812	81.6
336.26172	2.0
337.25470	0.6
435.32651	1.6
453.33621	2.2
471.34598	1.0
509.36514	0.7
527.37360	14.0
527.44458	0.5
545.38397	100.0
546.38776	3.8
548.30725	0.7
563.39240	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	2.4
55.01421	0.9
55.01810	4.6
55.05445	13.7
55.05743	1.9
57.03374	9.0
57.03675	1.3
61.02883	1.3
65.03890	1.4
65.14906	0.6
67.05432	18.5
67.05826	1.7
69.03357	4.5
69.06994	6.4
69.71891	1.6
69.72299	2.6
70.06529	1.8
71.01266	0.7
71.04922	4.6
71.44496	0.7
77.03874	0.9
79.05497	23.1
79.05907	1.6
81.03423	43.8
81.03851	2.9
81.06977	19.0
83.04981	5.3
83.08622	15.2
83.09061	0.7
85.02839	2.8
85.06477	0.8
91.05484	16.4
93.07050	16.6
95.04974	21.2
95.08614	11.5
97.02827	2.3
97.06540	4.2
97.10172	14.5
98.20847	1.4
99.04402	1.0
99.07994	1.1
103.05399	1.5
105.04453	0.7
105.07038	13.3
107.04963	15.4
107.08601	12.9
109.02818	1.2
109.06522	12.7
109.10169	6.7
111.04439	1.4
111.08101	4.8
115.05410	1.3
117.07039	4.6
119.04871	1.0
119.08585	10.5
121.06510	12.2
121.10149	11.3
123.04350	2.5
123.08060	5.0
123.11622	2.0
124.03867	1.2
125.05903	1.0
125.09648	11.1
127.03825	3.0
128.06165	1.6
128.12323	0.7
129.07016	7.9
131.04825	2.1
131.08575	13.0
133.06482	5.0
133.10155	4.8
135.04361	1.2
135.08072	6.5
135.11598	2.5
137.05882	2.4
137.09546	1.2
139.11172	3.8
141.06999	1.2
142.07671	2.5
143.08466	1.7
145.06483	4.8
145.10118	5.1
147.04352	2.4
147.08066	4.3
147.10703	0.6
147.11688	6.7
149.05887	1.5
149.09621	4.7
153.09027	2.3
153.12662	1.0
155.08476	2.3
157.06398	1.4
157.10143	7.1
159.07939	2.4
159.11658	1.4
161.05914	1.5
161.09552	2.5
163.11223	4.1
165.09047	0.9
165.12704	1.7
167.07014	1.6
167.10614	1.3
169.10078	1.9
171.07953	2.0
171.11626	1.9
173.05956	1.0
173.09567	1.7
173.11865	1.0
173.13211	3.7
175.11205	6.4
175.14969	0.6
177.05362	1.3
177.12642	1.2
181.10146	1.0
181.12146	1.2
183.08121	0.6
183.11650	1.3
184.07375	0.8
185.09537	0.7
185.11646	0.9
187.11224	1.0
187.14807	1.0
188.19066	0.6
189.11139	5.4
189.12735	1.7
191.14197	3.1
193.10423	0.7
193.12254	14.2
195.11584	1.0
197.13074	0.9
197.24269	0.7
197.59467	0.8
198.93558	0.7
199.11153	2.2
199.12987	0.9
201.12714	0.9
205.12170	1.7
209.09718	0.6
209.11497	1.1
211.13179	1.6
213.12746	1.0
215.14229	2.0
217.12141	1.4
219.13788	11.3
221.15208	0.7
223.11217	0.8
223.13141	1.4
227.12697	2.0
227.14569	1.1
229.14265	1.2
231.13737	2.1
233.13200	0.7
233.15332	3.6
235.13136	1.2
237.12549	0.8
249.14850	1.8
255.13821	1.8
257.04501	5.3
258.05139	1.0
259.13043	1.5
259.15381	7.1
267.15930	40.0
268.16135	0.9
273.14798	5.6
275.16333	1.3
285.04144	1.6
285.07553	2.4
285.16989	1.9
286.04623	3.8
286.07642	1.1
287.05405	3.1
287.16498	0.8
293.17496	5.4
309.16812	0.7
339.23071	2.2
349.21625	4.2
357.24258	2.3
367.22711	12.6
383.24387	1.5
385.23776	18.4
403.24808	6.9
406.48221	0.7
433.26227	0.9
441.26419	8.6
451.26877	5.3
459.27441	100.0
460.27853	2.7
461.28918	1.1
476.33606	0.8
477.12277	2.7
477.28506	95.9
478.29126	3.8
491.30063	10.1
495.12598	12.0
495.29315	6.8
501.28290	2.8
509.31528	3.6
527.28546	1.0
567.29559	1.1
580.35248	1.1
621.32556	1.3
624.15240	0.9
742.41608	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89993	0.3
51.92853	0.3
55.05514	1.3
56.05032	0.8
57.03429	0.8
57.33236	0.3
58.06336	0.3
58.06619	0.8
60.07895	0.3
60.08173	5.7
67.05513	2.4
68.02531	0.2
69.07076	0.6
69.95775	1.1
70.06599	0.5
71.04996	0.4
71.07381	3.6
78.33886	0.2
79.05510	1.9
81.03005	0.3
81.03427	3.1
81.07061	2.0
83.04973	0.9
83.08624	0.9
85.02892	0.9
85.06518	0.2
86.09713	28.9
91.05493	2.3
93.07065	1.0
95.04980	1.3
95.08606	0.8
97.02923	0.7
97.06543	0.4
97.10169	0.6
98.21446	0.3
98.98471	2.7
104.10765	1.8
105.07045	1.9
107.04957	0.6
107.08594	1.3
109.06562	0.5
109.10167	1.4
111.04460	0.4
119.08569	1.3
120.24353	0.3
121.06488	0.3
121.10155	0.8
123.08062	0.3
125.00017	18.6
125.09643	0.4
127.03941	0.4
129.07018	0.6
130.07545	0.3
131.08575	1.0
133.10117	0.9
135.11714	0.3
137.84950	0.3
145.10107	0.5
147.04462	0.4
147.11674	0.6
149.09570	0.4
157.10123	0.7
163.11160	0.4
173.11705	0.3
184.07356	100.0
185.07697	0.4
188.04230	0.3
193.12262	1.0
227.12740	0.3
229.14407	0.8
257.47891	0.3
263.79971	0.4
267.09180	0.3
267.15979	1.4
283.15558	0.3
285.17014	0.8
383.24411	0.7
385.23312	0.4
459.27438	3.5
466.40338	0.3
477.28308	2.2
495.29254	0.5
642.34070	20.1
643.33942	0.3
646.82172	0.3
689.33289	0.3
742.41895	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24472	0.1
54.96296	0.1
55.01872	0.1
57.03443	0.6
61.02920	0.4
61.83262	0.1
65.83897	0.1
67.01868	0.1
67.88974	0.1
68.99791	0.1
69.03435	1.0
71.01355	0.1
71.04982	0.1
71.53896	0.1
73.02919	1.4
81.03429	0.3
85.02908	2.5
91.05527	0.1
93.25904	0.1
97.02894	1.3
99.04411	0.1
99.57883	0.1
103.03950	0.1
105.07062	0.1
109.02885	0.3
115.03933	0.6
127.03923	0.8
133.04947	0.1
133.06477	0.7
135.04395	0.3
137.05914	0.2
145.04968	1.0
147.04391	0.2
153.01823	1.2
159.04419	0.3
163.06033	0.2
171.02885	0.1
177.05516	0.1
187.07413	0.1
217.08665	0.1
219.10173	0.2
239.07043	0.2
242.05737	7.3
242.19803	0.1
243.06291	0.1
270.05237	8.4
271.05643	0.2
285.07578	100.0
286.04788	0.2
286.07913	1.6
297.07532	0.2
300.60345	0.1
301.07190	0.6
303.07806	0.1
327.08661	0.2
351.08630	0.2
381.09695	0.3
399.10693	0.2
411.10660	0.1
417.11923	0.2
447.12872	3.4
579.17084	0.2
609.18152	4.8
610.17773	0.1
741.21899	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	742.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.01874	10.2
55.05268	1.6
55.05513	17.9
57.01807	0.8
57.03187	1.7
57.03441	18.3
57.07064	1.5
59.04990	2.4
61.02934	16.6
65.03936	2.0
66.60210	1.0
67.05509	71.3
69.03433	9.1
69.07072	40.9
70.78718	2.9
71.01341	1.6
71.05001	7.3
73.02927	6.6
77.68419	0.9
79.05494	36.7
81.03423	17.5
81.07061	54.8
81.91056	1.0
83.04984	8.4
83.08618	11.3
85.02911	19.8
85.06539	5.5
87.04485	1.3
91.03957	12.0
91.05486	36.1
92.90029	1.1
93.07047	36.5
95.04978	11.4
95.08614	32.3
97.02885	14.4
97.06541	19.2
97.10174	8.4
99.04475	2.3
99.08073	2.0
103.03941	3.4
105.04555	1.4
105.07037	32.2
107.04958	11.8
107.08604	22.8
108.08922	1.1
109.02872	3.2
109.06509	5.2
109.10160	38.3
111.04441	1.9
111.08104	6.1
113.06023	1.1
113.09631	1.5
115.05455	1.2
116.04666	0.9
117.07026	10.5
119.04918	1.4
119.08588	23.7
121.06509	6.2
121.10153	12.2
123.04420	1.4
123.08083	7.2
123.11728	6.0
125.09628	9.6
127.03918	7.1
128.70078	0.9
129.05502	4.8
129.07019	5.5
130.98473	1.1
131.08582	16.5
133.06493	3.2
133.10127	25.0
135.08086	5.0
135.11696	12.9
137.05956	1.4
137.09630	11.2
139.11172	2.3
141.07022	1.8
141.09116	1.0
143.07065	1.2
143.08560	4.5
145.04968	4.7
145.06461	1.2
145.10133	15.9
147.08063	1.8
147.11700	13.2
149.09627	14.1
149.13263	5.8
151.11179	4.5
153.12730	1.2
155.08603	2.1
155.10692	5.5
157.08656	2.2
157.10120	5.1
159.08096	1.5
159.11691	10.1
161.09666	2.8
161.13217	6.1
163.06030	4.9
163.11186	8.9
165.09166	1.9
165.12794	1.4
167.10611	1.3
169.10144	3.1
169.12300	1.9
171.10173	8.9
171.11664	4.5
173.04500	2.0
173.11740	17.3
173.13275	6.1
175.11166	3.6
177.12767	4.1
179.10612	1.0
179.14305	4.1
181.12248	1.9
183.11700	1.7
185.13272	1.7
187.11191	2.0
187.13295	4.4
187.14796	1.4
189.11246	3.5
189.12805	1.3
193.12196	4.7
195.13699	1.7
197.05450	1.1
197.13222	2.4
199.14801	1.5
200.14041	1.2
201.12881	1.7
205.12148	1.7
211.13260	2.5
215.17970	1.5
221.11867	1.2
227.12791	3.3
228.13187	1.7
229.14363	56.2
229.19363	1.7
233.15176	1.2
239.17976	4.6
243.15939	14.0
247.20549	3.8
249.14610	1.1
253.17975	3.1
255.15868	9.6
257.18988	5.3
267.15891	9.7
268.16486	2.5
269.17465	7.4
271.15381	5.8
273.18518	4.5
275.20096	27.6
283.15356	1.8
285.17007	2.4
291.19595	6.4
293.21112	2.8
297.16916	3.0
301.16360	1.5
311.22186	1.1
339.21600	1.5
344.58994	1.1
348.23074	2.2
349.23752	100.0
350.24124	2.0
365.23108	4.7
367.24792	13.9
383.24280	4.2
459.27353	4.1
477.28430	5.8
495.28784	2.7
511.28799	2.2
545.29468	1.8
646.50903	1.3
742.18292	1.1
753.66217	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2233
Annotation	Kaempferol 7-methyl ether 3-xylosyl-(1->2)-[rhamnosyl-(1->6)-glucoside]
Peak:m/z	Relative Intensity
51.98698	0.1
53.03950	1.0
55.01850	0.2
57.03443	0.3
65.03941	0.6
69.03427	1.3
70.65921	0.3
71.04984	0.5
75.27796	0.2
81.03416	2.5
85.02908	5.7
91.04915	0.2
91.05486	5.2
97.02895	10.4
97.32356	0.2
99.04456	4.6
103.03944	6.1
109.02878	3.8
119.04942	16.8
121.02823	0.3
125.02274	0.2
127.03918	49.6
128.04288	0.4
132.00996	0.2
145.04967	4.6
147.04411	100.0
148.04712	0.9
148.30995	0.2
163.05957	0.3
165.05486	3.9
178.48970	0.2
187.97852	0.2
229.08710	0.2
231.06578	0.3
253.07108	0.2
255.06409	0.4
267.77039	0.2
271.08124	1.3
291.08658	3.6
309.09665	4.0
341.36871	0.2
351.10788	0.8
417.11749	0.3
435.12704	0.3
453.13910	7.5
454.14059	0.2
471.14645	0.9
513.16125	0.3
597.17993	0.4
615.19220	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	741.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98480	0.2
53.03950	0.6
54.62160	0.2
55.01856	0.4
56.61956	0.2
59.80191	0.1
60.19488	0.2
63.50927	0.2
65.03941	0.9
69.03444	1.0
69.63158	0.9
71.04980	0.4
73.02891	0.2
81.03423	2.7
83.05003	0.2
85.02907	6.2
89.99185	0.2
91.05482	6.6
92.11163	0.2
97.02892	9.2
98.20829	0.3
99.03842	0.3
99.04459	5.0
103.03944	7.5
109.02885	4.1
109.03553	0.2
119.04948	17.9
127.03919	71.2
128.04211	0.5
145.04970	7.2
147.04413	100.0
148.04793	1.0
163.06020	0.6
163.53021	0.2
165.05486	3.0
169.04889	0.2
173.02312	0.2
187.06082	0.3
209.06084	0.2
253.07121	0.5
255.06516	1.3
271.08130	4.0
289.09137	0.4
291.08670	2.2
309.09656	1.6
351.10657	0.5
380.79199	0.2
399.10812	0.5
435.13016	0.4
453.13913	4.6
462.84116	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	741.2241
Annotation	Kaempferol 7-methyl ether 3-rhamnosyl-(1->3)-[apiosyl-(1->6)-glucoside]
Peak:m/z	Relative Intensity
55.34850	0.1
57.03446	0.8
59.05025	0.1
61.02933	0.2
68.99857	0.1
69.03431	0.6
70.97267	0.2
70.97614	0.1
71.04998	3.5
73.02937	0.4
75.04485	0.2
81.03430	0.1
83.04991	0.2
85.02910	4.6
87.04477	0.1
90.73405	0.1
91.05505	0.3
92.02623	0.1
97.02892	0.8
97.36953	0.1
99.04474	0.2
101.39066	0.1
101.75481	0.1
103.04002	0.2
109.02879	0.2
111.04470	0.2
115.03948	0.2
119.04951	0.6
127.03934	1.9
129.05499	0.9
132.53755	0.1
145.04997	0.2
147.04425	2.4
147.05530	0.2
147.06438	0.2
151.03923	0.1
153.01816	0.5
175.03880	0.1
187.05951	0.1
225.07581	0.1
229.04849	0.2
243.21989	0.1
251.48196	0.1
255.06535	0.1
257.04694	0.1
258.05243	8.0
259.05780	0.2
269.08151	0.1
271.05881	0.1
271.08588	0.1
273.07513	0.1
286.04730	29.2
287.04971	0.6
301.07068	100.0
302.07388	1.7
302.10583	0.2
313.07004	0.2
341.90533	0.1
343.08109	0.2
411.10580	0.1
447.13077	0.1
463.12320	2.0
595.16626	7.5
596.16705	0.2
741.21503	0.2
760.50244	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	740.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90358	0.3
53.03912	1.7
55.01874	2.5
55.05516	12.2
55.05762	0.5
57.03444	8.5
57.07046	1.3
57.52920	0.4
61.02888	0.9
65.03949	1.8
67.05509	38.3
69.03392	1.7
69.07076	9.3
71.04991	2.2
73.02879	1.2
77.03890	0.5
79.05499	30.8
81.03390	1.3
81.07062	39.4
82.07359	0.4
83.04990	3.0
83.08628	8.7
85.02876	1.3
85.06508	0.9
86.09706	0.4
91.03926	0.5
91.05487	12.8
93.03401	0.4
93.07051	43.0
95.04975	5.1
95.08613	41.8
96.08904	0.5
97.02895	3.2
97.06537	4.0
97.10178	1.8
99.04470	3.3
99.08038	0.8
105.07040	11.1
107.04967	6.0
107.08606	27.8
109.06471	1.7
109.10163	10.9
111.04402	1.0
111.08053	1.1
113.09678	0.5
117.06258	0.5
117.07023	8.4
119.08589	11.6
121.06518	4.1
121.10149	16.0
121.19772	0.4
123.08072	1.1
123.11723	2.4
125.06004	2.1
129.06958	0.5
130.07738	1.3
131.08574	4.8
133.10153	5.6
135.08026	1.6
135.11700	38.2
137.09518	0.6
137.13174	0.4
139.07487	1.6
143.08537	1.2
145.10135	21.7
147.11711	1.9
149.09618	0.6
149.13266	3.7
153.12706	0.7
155.08539	0.6
159.11697	2.1
161.13272	1.5
163.11191	42.8
163.14822	1.3
164.11493	0.4
173.09627	0.8
173.13229	2.6
175.14760	0.9
177.16447	0.8
181.12236	6.8
187.14754	0.9
201.16447	0.7
209.11745	1.2
227.12799	48.0
228.13011	0.6
243.21065	1.7
261.22168	6.4
283.15417	48.6
284.15836	0.7
317.24780	2.4
326.45905	0.4
335.25821	100.0
336.26010	2.6
357.47034	0.5
429.37003	0.4
543.36853	79.5
544.37280	3.7
609.40070	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.01878	2.5
55.05513	15.0
57.03153	0.5
57.03435	8.9
57.07071	1.9
61.02925	1.0
65.03938	1.7
67.05507	42.2
69.03429	1.8
69.07070	13.9
69.07380	0.3
69.07452	0.5
69.20566	4.3
71.04996	3.5
73.02913	1.6
77.03934	0.7
79.05495	38.6
81.03440	2.6
81.07060	41.2
83.04996	3.7
83.08150	0.6
83.08624	10.8
85.02900	1.3
85.06532	1.5
87.04453	0.6
91.05482	15.2
93.07047	52.7
94.07369	0.5
95.04968	7.1
95.08609	57.0
97.02888	3.9
97.06535	4.0
97.10131	2.1
99.04469	4.4
99.07076	0.4
99.08058	0.7
103.05499	0.7
105.04527	0.6
105.06310	0.6
105.07030	13.2
107.04972	7.8
107.08599	36.2
109.06493	2.6
109.09467	0.8
109.10164	12.2
111.04446	1.6
111.08104	1.5
113.05977	0.8
115.05462	0.5
117.07024	9.9
119.08584	15.7
121.06519	5.7
121.10148	19.7
121.11036	1.0
122.19621	0.4
123.08074	1.2
123.11723	2.4
124.74834	0.4
125.06009	2.1
125.09663	0.5
127.07582	0.6
130.07794	1.8
131.08577	4.8
133.10141	7.0
135.08105	2.0
135.11696	52.3
136.11989	0.6
137.09647	0.7
137.13271	1.0
139.07564	2.1
143.08585	1.1
145.10126	31.7
147.11729	2.4
149.09573	0.6
149.13251	3.4
153.12781	1.3
155.08565	0.5
159.11684	1.9
161.13274	2.1
163.11183	62.2
163.14822	1.4
164.11525	0.8
165.12701	0.6
173.09628	1.2
173.13303	1.8
174.20955	0.5
175.14799	1.1
177.16443	0.7
181.12230	11.4
189.16466	0.5
193.59682	0.6
209.11766	2.0
227.12785	77.0
228.13202	1.2
243.21159	2.5
261.22156	8.3
283.15402	100.0
284.15805	1.8
306.28040	0.7
317.24655	2.3
335.25806	94.5
336.26135	2.5
337.27802	0.6
543.36835	92.7
544.36969	3.6
561.37817	0.9
589.85895	0.5
740.44336	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01867	1.3
55.05515	5.8
57.03446	3.6
57.07071	0.8
57.57679	0.4
58.32099	0.4
59.05004	0.4
61.02930	0.7
65.03936	0.7
67.05510	19.4
69.03433	1.5
69.07072	3.1
69.17099	0.4
69.42420	1.5
69.42826	1.5
71.04648	0.7
71.05000	7.8
79.05067	0.7
79.05498	10.0
81.03426	17.7
81.07063	29.9
83.04985	2.0
83.08630	7.0
85.02905	0.7
85.06557	2.8
87.04510	0.5
89.78836	0.4
91.04912	0.7
91.05485	12.6
93.07050	9.9
95.04978	10.2
95.08617	5.4
97.02890	1.2
97.06537	3.2
97.10169	3.6
99.08087	0.7
105.07027	8.9
107.04970	6.4
107.08606	5.5
109.06530	6.8
109.10156	5.2
111.04427	0.9
111.08083	2.0
115.05485	0.5
117.07026	3.7
119.08598	5.3
121.06514	6.7
121.10149	4.6
123.04478	0.7
123.08103	1.4
123.11723	4.6
125.09641	2.7
128.06215	0.9
129.07016	3.6
131.04916	0.6
131.08578	7.1
133.06497	1.8
133.10144	7.5
135.08076	2.2
135.11714	2.3
137.09656	1.0
141.07004	0.8
142.07784	0.7
143.08578	1.8
145.06506	1.9
145.10132	2.9
147.08040	2.5
147.11745	2.8
149.09628	3.2
149.13252	1.6
150.72327	0.4
151.11192	3.0
153.09090	0.5
155.08571	1.3
157.06589	0.8
157.10156	2.7
159.08092	0.6
159.11665	2.7
161.09625	1.2
161.13255	0.4
163.11205	1.8
165.12735	0.9
169.10060	0.6
169.12291	0.5
171.10246	0.5
171.11661	1.1
173.09677	1.0
173.13287	1.4
175.11188	2.4
177.12761	1.3
181.10199	0.8
183.11766	1.1
183.13846	1.0
185.13306	0.6
187.11258	0.7
187.13300	1.4
189.11259	1.2
189.12756	0.8
191.14348	1.8
193.12215	3.7
195.11723	0.9
197.13220	0.7
199.11385	0.6
203.14383	0.5
205.12241	0.9
207.13730	0.6
209.13315	0.7
217.15962	0.8
219.13824	3.1
221.15445	0.7
223.13184	0.6
227.12738	0.5
229.14230	0.6
231.13754	0.6
233.15375	0.8
247.52502	0.5
249.14922	0.9
257.15231	0.9
259.16891	0.7
263.16736	0.6
267.15927	8.5
269.17542	1.3
275.16437	1.2
285.17218	0.6
301.20068	4.3
325.21606	1.5
343.22696	4.7
345.24582	0.5
349.24091	0.6
351.23285	1.0
361.23749	0.8
369.24265	1.7
371.25726	0.7
387.25290	1.4
407.25888	0.5
417.26437	3.3
425.26758	1.8
435.27414	13.6
439.26807	0.6
443.27945	7.6
445.24042	0.6
461.29025	100.0
462.29312	4.2
475.30560	1.7
493.31686	5.2
503.30051	0.8
569.31384	1.0
587.32086	1.2
589.33423	0.9
601.33844	0.7
605.32898	0.5
637.35834	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.7
55.01870	14.9
55.05266	1.4
55.05515	25.0
57.03437	25.7
57.07059	2.8
59.04985	5.1
61.02917	2.9
65.03933	2.4
67.05506	49.2
68.51085	1.0
69.03423	7.3
69.07063	11.3
71.01340	1.8
71.04989	8.0
73.02930	5.8
79.05495	35.9
81.03420	100.0
81.07056	33.1
82.04191	2.0
83.04986	23.4
83.08151	1.6
83.08620	29.1
85.02905	10.0
85.06538	3.4
87.04488	5.9
91.05483	35.5
93.03341	1.1
93.07043	28.8
95.01367	1.0
95.04974	35.3
95.08612	14.6
97.02882	10.7
97.06538	10.2
97.10163	15.4
98.07327	5.3
99.04419	1.8
99.08103	2.0
105.07030	23.0
107.04967	20.2
107.08597	20.7
108.05781	1.3
109.02878	2.8
109.06540	6.4
109.09451	1.9
109.10156	21.2
111.04440	13.5
111.08089	13.4
113.06018	1.0
115.05433	2.1
116.04711	9.4
117.05518	2.4
117.07033	6.5
118.52786	1.0
119.04926	3.1
119.08582	23.2
121.02855	4.3
121.06533	6.8
121.10139	14.6
123.04417	3.1
123.08117	5.0
123.11733	1.7
125.09631	17.8
127.03918	1.9
128.06268	1.4
129.05484	25.8
129.06987	14.5
131.08574	16.6
133.06511	5.4
133.10143	11.0
135.04407	3.5
135.08046	4.5
135.11700	13.4
137.05927	2.1
137.09639	4.2
141.06970	1.6
142.07774	3.3
143.07077	5.6
143.08540	3.0
145.06458	2.6
145.10130	9.3
147.03365	1.1
147.04395	6.3
147.08055	5.7
147.11694	12.8
149.05882	1.3
149.09637	9.7
153.09097	3.2
153.12756	22.4
155.08630	1.3
155.10733	1.4
157.08594	11.3
157.10107	14.4
159.11656	2.1
161.05994	1.3
163.11186	17.6
165.12727	3.7
165.59557	1.0
171.10251	5.0
171.11467	1.4
173.09628	3.2
173.11723	5.7
173.13107	1.6
175.11169	12.2
181.12224	15.1
183.11642	2.4
185.11678	1.9
189.11201	11.9
191.10626	10.3
193.12242	37.6
199.13280	3.4
200.13977	1.9
201.12730	3.3
201.14781	3.0
205.12169	1.9
209.11691	9.8
211.13287	12.5
219.13780	4.7
227.12779	37.6
229.12250	2.3
229.14342	17.4
231.13736	2.6
247.13287	26.3
249.14836	5.9
259.13263	2.7
265.14410	3.1
267.15921	80.5
268.16327	1.9
273.14822	1.4
283.12421	1.5
283.15436	21.0
285.07520	3.5
285.17029	5.1
286.07816	2.6
301.16470	33.6
302.16751	1.2
308.54630	1.1
309.17050	1.7
315.17911	1.1
321.16898	8.0
339.18054	1.6
355.22632	1.6
373.23535	1.6
383.22119	4.7
401.23108	1.9
421.25479	3.0
439.26889	5.3
457.25931	2.5
458.26422	1.3
459.27341	2.1
461.29114	1.8
475.27094	18.2
476.27670	3.5
477.28592	1.3
493.27960	29.2
525.30609	2.6
740.41565	1.2
769.80609	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	739.454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
55.05497	12.1
57.03428	3.4
65.03932	3.6
67.05508	43.9
69.07069	9.3
71.08626	9.4
79.05496	24.3
81.07064	44.1
83.04968	4.7
83.08598	4.5
91.05495	21.9
93.07047	32.9
95.04957	11.3
95.08618	29.8
97.06515	6.0
97.10159	3.6
98.21585	8.9
99.08089	6.9
105.07082	16.4
105.35480	3.6
107.04997	7.5
107.08615	17.5
109.06525	10.9
109.10160	11.2
113.00002	7.5
113.05994	7.2
119.08589	11.7
121.10139	17.5
131.08580	8.4
133.10135	13.5
135.08037	4.4
135.11679	11.1
145.10135	9.0
147.11653	9.6
149.09605	3.9
149.13307	4.8
151.11162	7.2
159.11774	5.8
161.13220	8.1
163.11241	5.9
169.02654	3.8
179.14343	20.8
182.62370	3.2
184.71278	3.2
210.13585	3.4
230.07678	3.5
237.55824	3.6
259.20633	3.6
261.22229	3.1
275.20059	8.2
277.21591	25.9
278.94226	3.0
285.22046	3.3
291.19516	8.4
292.19910	3.4
335.25690	4.5
349.23621	3.9
351.25000	4.0
351.42850	3.4
387.56311	3.3
529.38947	22.0
609.45032	26.2
627.46198	100.0
643.83514	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	739.246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.1
57.03445	0.9
69.03415	0.4
70.06567	0.1
71.04996	5.1
71.53836	0.2
73.02893	0.3
75.04453	0.3
83.04990	0.8
85.02910	6.3
87.04480	0.2
99.04469	0.2
102.28846	0.2
111.04429	0.6
117.05458	0.2
117.16453	0.1
127.03929	0.2
128.10410	0.2
129.05487	1.3
133.06502	0.8
135.04460	0.2
147.06453	0.2
153.01820	1.0
159.04385	0.2
168.20854	0.1
171.02959	0.2
237.13977	0.2
242.05737	5.4
270.05237	7.3
271.05521	0.2
285.07578	100.0
286.07947	2.0
297.07526	0.2
327.08734	0.4
351.08691	0.2
386.94586	0.2
395.11105	0.6
413.12741	0.2
431.13187	0.4
447.12891	23.8
448.13113	0.7
593.18701	5.1
732.40442	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	739.2447
Annotation	3,7-Dihydroxy-8-methylflavone 7-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
55.05498	0.1
57.03440	0.7
67.01847	0.1
68.99795	0.1
69.03426	0.1
70.07375	0.3
71.01356	0.1
71.04996	3.4
73.02893	0.1
75.04449	0.2
83.04986	0.5
85.02909	4.0
87.04437	0.1
97.02850	0.1
98.21427	0.1
99.04459	0.1
103.23534	0.1
111.04469	0.4
121.91109	0.1
125.40491	0.1
129.05490	1.1
133.06494	0.9
135.04382	0.3
147.06497	0.2
153.01830	1.2
159.04385	0.3
171.02846	0.1
177.05515	0.1
195.44220	0.1
217.08676	0.1
239.06937	0.1
239.09074	0.1
242.05736	7.7
243.06291	0.1
256.06381	0.1
270.05243	8.6
271.05667	0.1
285.07578	100.0
286.04709	0.1
286.07913	1.6
327.08557	0.2
351.08466	0.1
395.11325	0.1
429.12137	0.1
431.13428	0.1
447.12839	0.8
593.18683	5.9
594.19019	0.1
739.24268	0.1
741.48938	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	739.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36272	0.1
57.03439	0.6
57.10540	0.1
69.03418	0.1
69.70615	0.4
70.06587	0.2
71.04998	4.0
73.02910	0.1
75.04504	0.2
79.05453	0.1
81.03407	0.2
83.04955	0.3
85.02911	5.1
87.04485	0.2
99.04456	0.1
111.04437	0.3
113.06004	0.1
120.23353	0.1
127.03917	0.2
129.05487	1.4
129.07123	0.1
130.36732	0.1
133.06493	0.6
135.04430	0.3
136.58832	0.1
147.06544	0.2
152.27049	0.1
153.01828	1.1
159.04453	0.3
171.02864	0.2
183.06575	0.1
201.05450	0.1
217.08618	0.1
239.07108	0.2
242.05740	7.9
243.06274	0.2
267.16003	0.1
270.05249	8.7
285.07587	100.0
286.07986	1.5
327.08572	0.2
395.10934	0.1
413.12454	0.2
431.13150	0.2
447.12817	1.3
593.18683	7.1
594.17871	0.1
659.31769	0.1
712.93097	0.1
739.23859	0.2
750.23724	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	738.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96378	0.2
55.05510	0.3
56.05043	0.6
57.07076	0.5
58.06364	0.2
58.06621	0.5
60.08168	5.6
60.08479	0.3
61.08482	0.2
67.05510	0.7
70.06575	0.2
71.07379	2.7
71.08637	0.3
71.18084	0.3
73.50023	0.2
79.03302	0.2
79.05494	0.4
81.03430	0.9
81.07060	0.7
83.08620	0.2
85.10163	0.2
86.09711	28.9
87.10052	0.2
91.05492	0.5
93.07052	0.7
95.04984	0.4
95.08614	0.6
97.10066	0.2
98.98479	2.7
104.07085	0.5
104.10731	2.0
105.07066	0.3
107.08605	0.2
109.10213	0.2
112.41994	0.2
119.08591	0.4
121.10136	0.3
123.07938	0.2
125.00009	19.0
129.07040	0.3
131.08557	0.3
143.01051	0.4
184.07350	100.0
185.07716	0.5
193.12248	0.3
243.11145	0.2
267.15915	0.9
271.66071	0.2
306.37527	0.2
313.27441	1.0
496.57452	0.2
505.38995	1.2
626.44513	0.3
688.45496	11.4
689.45117	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.1
53.67710	0.1
54.23533	0.1
55.05509	0.2
57.03439	0.6
59.54612	0.1
62.51878	0.1
64.87452	0.1
69.03426	0.2
71.04996	3.2
71.18411	0.2
73.02887	0.2
74.86610	0.1
75.04475	0.1
76.69820	0.1
79.05521	0.2
81.07034	0.3
83.04961	0.3
85.02910	4.1
87.04456	0.2
95.08566	0.1
97.02911	0.2
107.08566	0.1
109.10189	0.1
111.04441	0.2
121.10139	0.1
127.03926	0.5
129.05472	0.6
133.06500	0.9
137.05983	0.1
145.05093	0.1
153.01831	1.1
159.04398	0.2
171.02835	0.1
177.05421	0.1
230.53716	0.1
239.07187	0.1
242.05745	8.0
243.06245	0.2
265.54633	0.1
270.05237	8.2
271.05627	0.1
285.07578	100.0
286.07986	1.5
327.08533	0.2
362.92242	0.1
366.70947	0.1
447.12643	0.3
528.12592	0.1
531.34247	0.2
575.32965	0.2
591.17133	8.9
592.17529	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	737.447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.0
55.01859	10.0
55.05272	3.1
55.05513	35.8
57.03448	12.6
57.07068	3.8
59.04987	5.3
61.02934	18.2
63.40048	2.4
65.03944	5.5
67.05510	80.6
69.03432	16.8
69.07074	25.3
71.05002	18.5
71.53360	3.1
73.02902	9.4
79.05504	56.7
81.03069	2.5
81.03433	30.9
81.07059	72.9
83.04967	7.4
83.08620	16.4
85.02905	20.4
85.06536	6.5
85.45251	2.3
91.03957	8.8
91.05490	52.2
93.07059	53.7
95.04961	11.3
95.08614	46.3
97.02911	19.0
97.06517	11.2
97.10192	17.7
99.04467	2.5
99.08091	5.4
101.06020	3.0
103.05463	2.5
105.07043	48.3
107.04940	9.6
107.08617	30.2
109.02892	4.0
109.06503	10.3
109.10165	29.4
111.04438	5.7
111.08074	6.2
116.24731	2.4
117.07043	29.6
119.07824	3.5
119.08592	38.4
121.06499	7.7
121.10146	23.2
122.24747	2.5
123.08066	11.3
123.11689	7.4
125.09628	19.3
127.03928	5.4
128.06242	4.0
129.07004	17.3
131.08578	31.4
133.06487	4.5
133.09244	3.3
133.10144	29.8
135.08034	11.1
135.11699	13.8
136.45076	2.7
137.09630	4.1
139.11180	2.9
141.06964	5.4
142.07788	6.6
143.08580	30.6
145.06480	4.5
145.10159	36.1
147.08031	7.6
147.11702	14.7
149.09592	7.8
149.13261	4.0
151.11203	5.7
153.07002	2.8
155.08583	19.1
156.09441	3.1
157.10152	25.7
159.08080	5.7
159.11684	22.0
161.09628	4.1
161.13234	7.1
163.11189	6.8
167.08569	5.7
169.10167	20.5
171.11713	20.0
173.09616	4.4
173.11908	3.4
173.13263	15.9
175.11162	6.8
177.12755	3.5
179.08638	3.7
181.10088	11.2
183.11688	14.1
184.12315	2.8
185.13229	10.3
187.11159	6.5
187.14772	3.7
189.11278	6.1
193.09984	4.5
193.12279	4.7
195.11708	10.5
197.13255	10.1
199.14868	6.6
207.11646	3.4
209.13274	8.6
211.14833	3.1
221.13258	3.6
223.14822	3.8
227.12770	14.7
235.14833	4.4
237.16449	3.6
267.15967	5.1
273.18436	4.5
275.20096	6.3
283.20358	3.7
291.19620	8.2
297.22198	3.9
299.20349	3.8
299.23538	12.4
301.21674	3.0
309.99005	3.2
311.23608	2.7
347.21967	3.0
376.76443	3.4
415.30048	4.2
421.26022	4.1
433.31311	16.5
443.27795	4.9
451.32162	15.3
469.33035	5.5
473.28842	3.0
483.33994	3.9
507.34399	9.2
517.35382	13.3
525.35834	79.1
526.35419	3.3
543.36865	100.0
557.38892	23.6
575.39771	36.7
679.40491	4.1
687.40955	6.1
705.41779	3.5
719.40247	7.4
737.43768	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	737.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
61.02917	0.1
67.01874	0.1
68.99799	0.1
69.03429	0.2
69.07080	0.1
70.72471	0.2
70.72836	0.2
71.04997	3.5
73.02912	0.1
75.04472	0.1
79.05466	0.1
81.07040	0.2
83.04997	0.2
85.02911	4.5
87.04454	0.1
97.02891	0.3
99.04456	0.2
100.71625	0.1
101.02391	0.1
105.07014	0.1
107.08594	0.1
109.02897	0.1
109.06549	0.2
111.04427	0.3
113.32424	0.1
116.65609	0.1
119.04939	0.1
119.08572	0.1
121.06492	0.1
127.03913	0.3
129.05502	0.8
133.06500	0.8
135.04427	0.3
137.05981	0.1
145.04964	0.1
145.10126	0.1
147.04372	0.1
147.06514	0.1
153.01846	1.1
159.04395	0.2
171.02901	0.2
177.05536	0.1
221.65677	0.1
239.07170	0.1
242.05750	7.8
243.06320	0.2
270.05249	8.3
285.07584	100.0
286.07932	1.7
327.08752	0.2
351.08463	0.1
475.12405	0.2
501.55231	0.1
530.31879	0.1
591.17126	8.9
592.17462	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	735.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.7
54.60795	1.7
55.01877	11.9
55.05519	27.6
56.96561	3.3
57.03442	12.2
57.07073	3.4
61.02916	4.1
65.03928	5.7
67.05510	84.5
69.03437	16.5
69.07076	26.2
71.04985	7.9
73.02923	4.2
73.06530	2.5
78.45015	2.1
79.05497	92.0
81.02981	2.9
81.03426	36.8
81.07063	97.1
83.04990	20.5
83.08627	14.5
84.05440	1.8
85.02924	9.9
85.06533	5.4
90.53582	1.9
91.03941	2.4
91.05484	81.4
93.07051	90.2
95.04982	26.5
95.08616	42.9
95.09196	1.5
97.02888	10.4
97.06520	16.5
97.10176	7.7
99.04472	4.5
103.03953	2.1
103.56472	1.6
105.03309	1.5
105.07035	63.4
107.04951	13.2
107.08604	35.2
109.02875	8.2
109.06532	13.3
109.10157	17.4
111.04414	3.6
111.08066	6.4
115.05422	2.8
117.07018	21.6
119.08588	39.9
121.06498	6.3
121.10127	16.9
123.08053	7.1
123.11665	3.0
125.09604	3.5
127.03930	4.5
128.06210	4.3
129.05463	4.6
129.07005	26.1
131.08572	24.0
133.06483	5.2
133.10141	29.7
135.08052	8.1
135.11655	8.4
137.09622	3.6
139.62837	1.9
141.06956	3.7
142.07695	2.7
143.08586	16.4
145.06465	2.8
145.10129	19.3
147.08067	5.0
147.11703	34.5
149.09628	7.6
149.13290	8.6
151.11182	5.9
155.08517	2.5
157.10146	5.0
159.08192	2.2
159.11763	12.5
161.09651	6.7
161.13248	11.0
163.11151	5.0
167.08626	2.3
169.10135	5.6
171.11678	23.3
173.04433	15.3
173.09723	1.9
173.13327	3.6
175.11198	2.8
177.12805	4.0
179.14317	2.3
183.11671	2.8
185.13231	2.1
189.11267	1.8
189.12741	9.8
195.13760	4.7
201.12724	2.2
207.13799	19.7
208.86504	2.1
213.12845	2.2
217.75410	1.9
225.14865	2.2
227.12779	3.0
229.14827	2.1
229.19547	2.2
245.11313	2.1
251.16483	2.3
253.14561	4.0
254.38411	1.8
257.19012	4.9
261.15387	2.0
267.16040	2.4
269.17429	5.7
275.20068	30.1
279.15817	2.5
281.10535	5.7
281.17490	59.5
287.16382	3.4
291.19550	3.3
322.11758	4.1
331.22659	2.2
338.84067	1.9
339.17993	2.8
349.23785	17.7
413.21619	8.1
428.18985	2.2
431.27808	1.9
463.31766	2.3
468.72189	2.9
475.30579	100.0
511.27518	2.2
527.37781	2.0
527.60938	1.9
537.35858	4.4
555.36847	43.1
573.37726	11.1
576.62073	2.0
619.34619	30.0
717.41461	4.2
735.42749	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	735.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.7
55.01654	1.7
55.01870	16.1
55.05269	2.6
55.05512	35.2
57.03239	1.3
57.03437	14.6
57.07074	2.7
61.02920	6.0
62.89660	2.0
65.03931	7.4
67.05508	88.3
69.03436	15.5
69.07072	28.6
69.96303	6.3
71.05006	9.0
71.51325	1.7
73.02907	3.3
73.06557	2.3
77.03906	2.1
79.05496	94.8
81.02964	1.5
81.03419	36.3
81.07058	90.8
83.04991	24.9
83.08631	17.4
85.02908	10.5
85.06529	3.8
91.03953	2.4
91.05484	100.0
93.07049	94.4
95.04987	26.1
95.08614	47.0
97.02879	11.2
97.06533	22.1
97.10163	14.1
99.04447	3.7
99.08102	2.8
103.05492	2.4
105.04513	5.0
105.07035	78.3
107.04954	18.3
107.08597	42.1
109.02872	5.8
109.06541	12.7
109.10162	16.0
111.04445	3.1
111.08067	5.6
115.05447	3.9
116.62274	1.8
117.07026	24.1
119.04919	2.4
119.06046	1.7
119.08592	53.4
121.06503	7.0
121.10152	21.1
123.08088	9.9
123.11686	4.1
125.09618	6.6
127.03879	9.0
128.06219	3.3
129.05510	3.7
129.07007	23.7
131.08557	23.8
133.06500	5.2
133.10141	33.9
135.08055	7.7
135.11723	8.5
137.09605	5.5
141.07043	3.3
143.08549	18.8
145.06473	4.6
145.10114	27.8
147.08060	6.1
147.11700	41.1
149.09621	12.9
149.13243	6.8
151.11145	3.4
155.08554	5.6
156.09282	2.3
157.10155	7.4
159.08075	2.9
159.11702	16.0
161.09619	8.7
161.13272	13.9
163.11150	9.3
163.14789	1.8
165.12666	2.3
169.10121	3.4
171.10263	3.6
171.11693	31.5
173.04486	11.7
173.05789	2.4
173.09619	1.8
173.11906	1.9
173.13301	6.4
175.11209	3.2
175.29922	1.7
177.12744	3.9
179.14299	2.8
181.10126	1.8
183.11693	4.6
185.13292	2.6
187.11227	3.3
189.11258	3.3
189.12756	10.5
195.11761	2.6
195.13747	3.4
197.13332	3.8
207.13802	29.8
211.14807	2.0
225.14758	2.1
227.12747	20.2
229.14351	3.7
229.19623	1.6
239.17998	4.2
247.20609	2.6
257.19028	11.5
267.15909	4.0
269.17679	2.8
275.20074	62.9
279.15781	2.9
281.17493	75.0
287.16525	3.6
291.19617	3.1
293.20978	4.4
321.46457	2.0
331.22647	4.1
349.23776	33.5
367.24823	3.2
377.23050	5.1
413.21735	6.1
425.21744	3.2
435.27582	6.2
451.26755	4.7
459.30945	5.7
475.30627	61.9
476.30585	2.5
515.33600	3.0
527.36987	5.4
537.35645	6.9
555.36890	61.2
556.37018	2.5
573.38098	17.2
619.34650	15.1
653.23871	2.1
653.42285	1.7
699.40198	2.6
717.41205	4.9
735.41858	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	735.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	10.4
55.01875	20.6
55.05518	28.8
57.03439	12.1
57.07079	3.0
61.02925	4.1
61.82007	2.0
65.03926	4.9
67.05508	86.7
69.03428	19.2
69.07073	30.2
71.04991	7.2
71.53201	3.0
73.02908	2.6
74.04925	1.7
77.03918	2.7
79.05498	100.0
81.03423	40.9
81.06584	4.3
81.07063	88.8
83.04998	19.3
83.08626	17.4
83.36219	1.9
85.02907	13.1
85.06544	6.0
86.26051	1.8
91.03947	2.4
91.05486	94.3
93.07047	91.6
95.04973	22.2
95.08613	46.1
97.02878	13.4
97.06541	26.7
97.10181	7.6
99.04452	5.0
105.04491	2.9
105.07039	76.9
107.04957	17.7
107.08605	39.5
109.02894	6.2
109.06522	15.1
109.10168	15.1
111.04450	3.2
111.08085	4.8
113.05998	2.6
115.05449	3.2
117.07021	26.5
119.07800	3.9
119.08585	49.4
121.06508	6.6
121.10153	15.8
123.08055	9.0
123.11672	4.8
125.09621	4.6
127.03914	7.2
128.06264	4.5
129.05536	3.4
129.07039	26.2
130.07777	2.6
131.08565	23.4
133.06467	4.2
133.10141	31.4
135.08044	6.6
135.11684	10.5
137.09625	4.1
141.06966	4.9
142.07838	2.8
143.08560	16.6
145.06522	2.6
145.10141	24.8
147.08061	5.8
147.11702	41.4
149.06012	2.4
149.09639	14.5
149.13280	9.6
151.11179	4.3
155.08568	6.1
157.10091	9.3
159.07982	2.1
159.11694	15.2
161.09607	5.7
161.13228	12.0
163.11198	9.4
165.12827	3.0
167.08435	2.7
169.10141	7.0
171.11702	33.2
173.04451	13.1
173.13237	6.0
177.12773	3.6
179.14284	2.1
181.10118	2.9
183.11729	4.9
185.13268	4.3
187.11185	2.4
187.14813	2.1
189.12793	10.2
195.13812	2.7
197.13277	2.3
201.12679	2.3
207.13774	33.9
217.15918	5.5
227.12773	9.9
229.19292	2.4
239.17944	4.1
248.88805	2.0
257.19086	13.5
267.15851	2.5
269.17535	5.0
273.18539	3.2
275.17303	2.4
275.20078	47.3
279.15961	3.0
281.17484	77.1
283.67361	2.3
291.19598	3.9
293.21091	6.3
315.67169	2.2
331.22693	5.6
339.18616	2.1
349.23764	29.7
367.24689	2.6
377.23154	4.2
379.81601	2.1
413.21622	6.6
419.24313	2.9
459.30881	7.2
475.30603	84.5
476.30688	4.7
497.32388	6.1
515.34167	3.4
527.37030	8.0
537.35645	7.5
555.36896	65.1
573.37976	13.9
619.34735	17.5
699.41626	4.5
717.41907	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	734.433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49541	0.9
53.03944	2.9
53.04176	0.8
54.60184	0.8
55.01874	5.0
55.05262	1.5
55.05515	17.5
57.03439	9.0
57.07072	1.3
59.05015	5.1
60.05661	0.9
61.02922	3.9
65.03936	2.6
67.05510	100.0
69.03430	5.1
69.07072	27.5
71.05011	5.1
71.53723	0.8
71.54114	1.0
73.02913	1.7
79.05067	1.5
79.05501	22.6
80.05798	1.3
81.03419	6.9
81.07062	34.5
83.04990	4.7
83.08624	9.2
84.75148	0.9
85.02914	4.4
85.06540	3.6
88.35998	0.8
91.03976	1.3
91.05484	24.7
93.06476	1.9
93.07047	25.5
95.04972	5.6
95.08059	1.6
95.08615	21.1
96.08947	0.9
97.02901	3.8
97.06542	7.5
97.10174	4.4
99.04469	1.1
99.08092	1.0
103.05499	1.0
105.07040	16.0
107.04978	4.7
107.08610	13.1
108.08944	1.2
109.02904	1.6
109.06516	2.3
109.10165	70.9
111.08071	6.1
115.05402	1.2
117.07036	6.2
119.08591	20.1
121.06544	2.5
121.10155	6.2
123.08055	2.7
123.11731	1.6
125.09634	4.8
127.03925	2.7
129.05463	2.4
129.07022	2.8
131.08568	8.7
133.10138	8.2
135.08105	1.1
135.11743	5.8
137.09628	10.8
143.06989	0.9
143.08519	2.5
145.10156	6.3
147.08061	1.1
147.11714	7.0
149.09615	10.1
149.13214	1.1
151.11177	1.4
155.08614	1.2
155.10677	6.9
157.10223	1.7
159.11751	5.3
161.09685	1.8
161.13269	2.9
163.11168	3.9
165.09088	1.1
169.10146	2.2
171.11708	2.9
173.11774	20.0
173.13264	2.2
177.12747	1.9
179.14334	4.0
185.13293	1.3
187.11171	1.5
189.11256	1.6
215.17899	1.0
223.13072	1.0
227.12773	2.8
229.14366	49.0
229.19400	1.4
247.20576	1.1
254.55309	0.9
255.15845	1.3
257.19016	2.9
267.15869	1.5
273.18500	3.6
274.18765	2.2
275.17230	1.6
275.20032	14.4
281.17490	2.6
291.19507	4.7
325.20139	5.3
348.22519	1.1
349.23758	16.8
354.09067	1.0
365.23148	1.6
373.18707	1.4
383.24301	21.0
397.25916	1.7
407.27811	5.5
409.25922	2.0
423.27573	1.3
451.26978	1.9
465.49600	1.2
503.33762	29.7
521.34552	3.5
550.26111	1.0
554.35352	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	731.434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.05510	1.6
57.03429	1.5
60.65638	0.8
61.02926	3.9
67.05513	6.5
69.03419	2.1
69.04514	0.8
69.07059	2.4
69.25258	7.3
71.04970	0.8
72.08157	2.2
73.02937	4.0
73.03280	0.9
79.05502	3.8
80.05400	0.8
81.03410	1.5
81.07053	7.1
83.08615	1.1
84.96696	0.7
85.02919	4.3
91.03953	2.5
91.05494	3.0
93.07046	5.1
95.04932	1.0
95.08626	3.7
97.02900	3.6
98.21459	1.3
101.02364	0.9
105.07046	1.5
107.08620	1.7
109.10184	1.2
114.95997	0.8
119.08534	0.9
121.10149	1.7
127.03941	1.3
135.11688	1.8
147.50002	0.8
149.13271	1.9
159.11777	0.7
161.70322	0.8
235.13066	2.1
238.89531	0.8
243.08405	1.7
453.20914	5.2
468.28751	1.1
519.29187	4.5
731.43390	100.0
732.43524	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	733.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.0
55.01883	12.7
55.05270	2.1
55.05515	20.2
57.03441	23.8
59.04981	3.4
65.03946	9.2
65.63792	1.8
67.05510	96.2
69.03436	19.0
69.07071	14.2
71.04984	8.2
71.54066	2.1
73.02932	2.5
79.05497	61.2
79.51772	1.9
81.03421	34.8
81.07060	47.0
83.04990	13.2
83.08623	7.9
85.02913	9.4
85.06549	16.3
91.05486	62.2
93.07050	51.3
95.04974	99.2
95.08617	32.6
96.49383	1.8
97.02912	9.0
97.06538	7.6
97.10164	5.2
97.50859	1.6
99.04467	7.4
103.05515	3.5
105.04495	2.2
105.07037	49.1
105.58259	2.0
107.04958	18.9
107.08604	29.3
109.02895	4.6
109.06524	74.7
109.10165	10.0
111.04444	2.5
111.08081	4.8
112.63859	1.8
113.06013	33.2
115.05479	4.5
116.06214	2.2
117.07018	26.2
119.04908	3.3
119.08589	28.5
121.06488	9.9
121.10139	12.9
123.04430	3.8
123.08060	7.5
125.09637	2.2
127.03955	4.6
128.06216	7.8
129.05510	2.5
129.07019	21.5
130.07846	3.3
131.08574	33.4
133.06473	9.5
133.10146	17.9
135.08063	52.1
135.11700	11.0
137.06003	4.7
137.09624	2.7
141.06981	7.0
142.07771	3.7
143.08546	20.4
145.06497	8.8
145.10139	23.7
147.08055	11.3
147.11678	14.0
149.09618	8.8
149.13252	4.2
149.67061	1.8
151.11229	2.7
155.08565	6.1
157.06458	2.9
157.10124	12.5
159.08093	6.7
159.11722	12.1
161.09645	14.3
161.13269	8.6
163.11177	8.0
165.09134	2.3
167.08572	3.9
169.10135	6.0
171.08051	3.4
171.11705	14.9
173.04515	11.7
173.09727	2.8
173.13292	4.6
175.11131	3.3
177.12766	6.4
179.14397	2.5
181.10155	4.4
183.11688	5.3
185.13281	7.8
187.11226	7.4
189.12747	5.0
195.13675	2.3
199.11188	2.7
199.14847	4.6
201.12726	3.0
203.14375	2.7
207.13814	12.4
217.15840	12.6
233.15381	2.6
241.16078	3.5
242.80730	1.9
245.15532	2.0
245.18907	2.7
248.82291	2.1
251.14323	3.1
259.17093	2.3
269.15363	2.5
273.18512	57.5
275.20157	3.5
279.15973	6.9
281.17487	16.3
287.16437	5.1
291.19559	100.0
309.20801	2.8
314.91071	2.1
347.22070	17.2
349.23474	2.3
351.17865	2.2
361.19952	3.3
365.23312	15.0
395.19067	6.5
407.20636	5.2
423.67371	2.3
425.21524	15.5
553.35321	21.9
571.36298	38.7
633.37494	2.9
651.38623	3.2
697.38409	4.4
715.40619	13.7
733.41907	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	727.2082
Annotation	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.05508	0.2
57.03441	0.8
61.02916	0.2
67.01854	0.3
69.03434	0.6
69.71190	0.7
71.04996	3.7
73.02936	0.7
75.04473	0.2
78.65230	0.1
81.03413	0.2
83.04964	0.5
85.02909	5.2
87.04436	0.1
97.02900	0.7
99.00462	0.1
111.04437	0.3
115.03910	0.3
122.93179	0.1
127.03938	0.2
129.05492	1.3
130.25125	0.1
135.04434	1.0
137.02332	0.3
147.06535	0.4
147.08194	0.2
148.85237	0.1
153.01845	3.0
159.55005	0.1
161.02325	0.4
171.02914	0.2
179.03355	0.2
225.07539	0.2
241.04958	0.3
269.04419	0.2
273.13980	0.1
287.05502	100.0
288.05853	1.9
329.06543	0.2
397.09119	0.2
449.10889	1.8
454.85040	0.1
581.15057	5.6
582.15051	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	2.7
55.01865	1.3
55.05518	15.5
55.05770	0.8
57.03444	11.7
57.07035	2.1
59.06324	0.6
59.75106	0.6
61.02929	4.2
65.03916	2.5
67.05510	68.4
67.05869	2.1
69.03400	2.0
69.07073	20.2
70.20633	2.5
71.04984	3.7
71.08606	1.2
73.02892	1.8
77.03888	1.0
79.05499	42.2
81.03381	2.9
81.07063	77.3
82.81986	0.6
83.04996	4.1
83.08629	12.9
85.02918	6.0
85.06528	3.3
91.03910	1.5
91.05488	25.1
93.07050	52.6
95.04987	3.3
95.08612	37.9
97.02901	3.1
97.06525	7.3
97.10165	3.3
99.04451	1.2
99.08075	1.7
105.04498	1.3
105.07040	12.6
107.04969	0.9
107.08603	28.4
109.06466	2.3
109.09473	1.0
109.10162	14.9
111.08080	3.3
117.07037	8.1
119.07819	0.6
119.08587	9.0
121.06470	2.0
121.10147	19.3
123.08035	1.1
123.11720	5.9
131.08575	10.3
133.10138	15.8
135.08020	2.0
135.11696	13.2
137.09595	1.0
137.13251	1.3
143.08504	0.9
145.10146	4.7
147.11726	4.6
149.13264	12.1
151.11172	1.9
159.11703	10.2
161.13266	3.7
163.11110	0.9
163.14842	3.1
173.11951	0.7
173.13181	3.1
175.14812	1.4
177.12761	3.2
177.16330	0.8
185.95963	0.7
187.14810	1.5
195.13832	8.5
213.14784	1.4
219.20917	0.6
243.21037	3.0
255.23126	1.0
261.22189	7.9
267.15948	1.7
269.17487	57.5
270.17749	0.8
277.21457	0.7
285.07755	0.8
293.21121	2.8
317.24844	2.2
335.25818	100.0
336.25946	3.3
437.34244	1.9
455.35236	0.8
511.37549	0.9
529.38922	99.3
530.39209	6.1
547.40033	1.9
608.80139	0.7
724.66754	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
54.39920	0.7
55.01870	1.6
55.05514	16.5
57.03159	0.8
57.03439	15.9
57.07075	2.1
61.02936	3.6
65.03933	2.7
66.04742	0.7
67.05508	71.8
69.03439	1.1
69.07070	20.3
71.04989	3.8
71.08639	1.3
73.02918	1.8
79.05498	44.0
80.02382	0.8
81.03419	2.5
81.07061	79.7
81.93701	0.7
83.04984	5.6
83.08630	13.6
85.02914	3.5
85.06568	3.9
91.03963	1.8
91.05483	24.6
93.07049	61.6
95.04969	6.1
95.08613	40.7
97.02898	1.0
97.06538	9.7
97.10160	2.5
99.08117	2.5
105.04532	1.7
105.07037	12.4
107.08603	34.3
109.06547	2.3
109.09472	1.2
109.10164	12.6
111.08083	6.5
111.11633	1.0
117.07024	8.2
119.08596	8.1
121.06568	0.8
121.10152	23.8
123.08066	1.7
123.11708	5.5
125.09637	1.1
129.07031	1.0
131.08577	10.0
133.10152	9.5
135.08078	1.9
135.11703	12.7
137.13281	1.7
139.11189	1.2
145.10098	4.3
147.11697	4.8
149.13260	26.5
151.11192	0.9
159.11705	12.1
161.13289	2.7
163.14854	1.8
173.13277	1.7
175.14861	0.9
177.12776	3.8
185.13211	0.9
187.14880	1.0
195.13774	8.0
213.14830	0.9
243.21130	2.7
261.22162	8.1
267.15842	2.1
269.17496	96.8
270.17798	2.8
293.21011	1.4
301.43091	0.8
317.24780	2.4
335.25815	62.1
336.26175	1.6
375.03729	0.9
412.62857	0.8
437.34341	1.6
473.35822	0.8
496.18872	1.0
511.37592	1.0
529.38916	100.0
530.39270	5.9
547.40149	2.8
726.45612	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	726.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.01877	1.9
55.05516	7.6
55.75766	0.7
57.03445	6.2
59.05003	1.2
61.02919	1.7
65.03946	0.7
67.05510	28.2
69.03425	3.0
69.07072	4.1
69.45526	1.5
69.45919	5.3
71.04658	0.8
71.05006	10.4
73.02909	0.7
79.05077	0.9
79.05501	14.7
81.03423	21.1
81.07060	16.1
82.07404	0.9
83.04973	3.2
83.08624	6.8
85.02911	4.8
85.06537	2.5
91.03949	0.9
91.05485	15.6
93.07056	11.9
95.04981	12.2
95.08617	7.7
97.02902	1.9
97.06533	3.1
97.10168	5.3
105.07045	10.1
107.04958	6.7
107.08599	8.9
109.02924	1.1
109.06519	6.1
109.10162	21.2
111.04436	1.9
111.08121	4.1
115.05450	1.0
115.46126	0.8
117.07030	3.8
119.08585	10.6
120.08057	0.8
120.08903	0.9
121.06512	4.7
121.10178	5.6
122.10451	1.1
123.04475	0.9
123.08060	3.2
123.11754	1.2
124.07613	2.1
125.09614	4.9
127.03999	1.1
129.05450	1.6
129.07005	2.7
131.05026	0.9
131.08577	5.8
133.06516	1.7
133.10129	5.3
135.08069	3.2
135.11700	6.2
137.09604	5.3
143.08554	1.3
145.06511	1.8
145.10135	3.5
147.08058	2.1
147.11699	3.8
149.09612	2.0
151.11125	1.3
153.09148	0.8
155.08577	1.0
155.10648	1.2
157.10135	4.8
159.08052	1.5
159.11700	2.4
163.11128	3.8
165.12733	1.3
167.10791	0.9
169.12151	0.8
171.11668	1.0
173.11728	2.8
173.13263	2.6
175.11201	3.9
183.11600	1.0
185.13211	1.1
187.11192	1.4
189.11330	2.0
189.12886	0.9
191.14296	1.3
193.12285	5.8
197.13330	1.1
201.12808	1.0
203.10742	1.0
203.14349	1.2
205.12317	1.5
211.13254	1.6
219.13779	3.7
222.11586	0.7
227.12727	1.4
229.14369	3.1
242.05795	0.9
243.16078	1.4
249.14859	1.8
253.14449	2.2
255.15923	1.1
259.20563	1.1
267.15924	11.4
268.16309	2.4
269.17523	1.1
270.05298	1.0
274.18121	3.4
275.16409	1.1
285.07632	8.8
285.17020	1.1
286.07980	7.8
286.17319	1.2
287.18494	4.3
291.19620	1.5
292.19781	1.7
311.20087	1.1
318.20883	1.1
329.21167	5.1
337.22040	1.1
351.25342	1.5
355.22629	2.5
365.23334	1.7
366.23633	2.3
367.23987	2.3
403.24915	3.1
411.24768	0.9
421.25940	12.3
429.26425	7.0
435.27454	1.5
443.28091	1.2
447.27451	100.0
448.27814	3.3
461.29050	2.6
477.28168	1.1
479.29727	5.7
511.33075	1.3
546.30426	1.4
564.31177	6.2
573.30176	0.9
579.17047	1.1
601.33936	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.2
52.08625	0.9
53.03933	5.1
55.01875	7.7
55.05267	1.8
55.05513	23.6
57.03439	23.5
57.07060	3.0
57.72302	1.0
59.04996	1.0
60.07963	0.9
61.02929	36.3
65.03931	4.0
67.05505	71.7
69.03435	16.3
69.07069	30.2
69.77728	4.1
69.78137	1.5
71.01350	2.0
71.04993	7.2
71.08643	2.0
73.02917	16.2
77.03911	2.0
78.04704	1.0
79.05495	78.6
81.02971	1.7
81.03418	18.9
81.07058	87.9
83.04985	15.2
83.08627	16.7
85.02906	48.3
85.06534	5.9
87.04442	2.1
91.03403	2.0
91.03960	30.9
91.05482	61.4
93.07046	94.5
95.04967	11.2
95.08610	39.6
97.02896	31.1
97.05917	1.3
97.06528	17.1
97.10176	5.4
98.21549	1.1
99.04441	3.7
99.08090	7.9
101.02370	2.0
103.03944	2.8
103.05499	1.4
105.04525	2.0
105.07038	58.8
107.04951	7.7
107.08593	49.9
109.02878	5.0
109.06520	7.2
109.10161	17.6
111.04417	2.8
111.08070	9.8
113.09621	1.8
115.03925	2.8
115.05419	1.5
116.06227	1.3
117.05539	1.7
117.07017	25.6
119.04980	1.0
119.08585	43.2
121.06525	6.5
121.09328	1.8
121.10148	31.4
123.08072	6.2
123.11701	5.6
125.09620	4.0
127.03932	14.4
128.06247	1.9
129.05540	5.6
129.07004	9.9
131.04939	1.1
131.08568	27.5
133.06476	2.9
133.10135	44.4
135.08072	5.0
135.11697	26.4
137.09604	3.5
137.13271	2.0
139.07445	1.0
139.11201	2.4
141.06952	1.3
143.08531	10.9
145.04967	15.8
145.06052	1.9
145.10121	22.4
147.08052	3.1
147.11700	33.5
149.09601	12.7
149.13266	31.3
151.11185	3.4
153.09131	1.5
155.08540	2.0
157.10132	10.9
159.10451	1.9
159.11705	30.3
161.09587	2.8
161.13255	19.7
163.06013	11.6
163.11183	8.4
163.14827	4.2
165.09012	1.1
167.14345	1.1
169.10088	3.4
171.10204	1.9
171.11652	12.0
173.04422	2.9
173.09595	1.3
173.13235	11.7
175.11186	3.1
175.14854	7.0
177.12744	15.1
179.10626	1.1
179.14278	4.9
183.11714	3.5
185.13249	7.4
187.11205	1.1
187.14832	2.6
189.11229	1.7
189.12759	2.0
189.16475	1.8
189.28818	1.1
191.14404	1.1
193.12231	2.5
195.13818	10.7
197.13313	2.4
199.14828	6.5
201.12672	2.2
205.12288	1.5
207.13695	1.6
213.16438	2.4
215.17937	2.0
217.15944	2.2
217.19484	1.2
219.13754	1.6
227.12776	2.7
229.14363	2.9
229.19568	1.3
231.17429	1.6
231.21057	2.8
233.15355	1.2
239.18011	3.6
241.19504	15.8
243.12218	2.6
247.20692	2.0
251.16431	1.7
253.17729	1.1
255.00047	1.0
255.15953	2.5
257.19040	6.2
259.20566	47.5
267.15915	1.5
269.17484	100.0
275.16681	1.4
275.20038	18.7
277.21716	5.7
281.17389	3.0
285.07559	4.1
286.07880	4.6
293.21152	1.9
333.24203	8.4
339.18188	1.3
349.19818	2.0
349.23788	34.2
351.25293	96.0
352.25549	2.7
363.25375	2.1
367.24826	1.8
375.25223	2.4
385.23633	1.5
413.21515	2.1
431.22610	1.8
441.26376	4.5
459.27118	3.2
461.29178	1.6
477.28253	3.1
495.29584	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	726.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.7
55.01874	8.6
55.05516	24.1
57.03444	20.7
57.07079	2.1
61.02929	33.6
62.93520	1.7
63.90858	1.7
65.03943	2.8
67.05510	64.4
69.03430	17.7
69.07074	31.0
71.04987	7.9
73.02911	12.9
75.04468	1.8
75.25021	1.8
79.05496	67.2
80.14271	1.8
81.03430	15.3
81.06584	4.1
81.07063	75.6
83.04987	14.6
83.08624	15.1
85.02907	53.9
85.06534	4.4
91.03966	34.4
91.05486	61.2
93.07049	73.8
95.04975	9.9
95.08057	2.9
95.08611	37.1
97.02899	30.1
97.06526	16.8
97.10172	3.3
99.04461	6.0
99.08119	8.3
103.03896	2.0
103.05483	2.6
105.07034	52.5
107.04964	8.1
107.08601	42.1
109.02850	2.2
109.06511	6.6
109.10165	14.4
111.04414	3.1
111.08085	5.2
117.07035	20.8
119.08588	47.5
121.06505	6.4
121.10146	29.7
123.04409	2.5
123.08060	8.7
123.11737	6.2
125.09653	2.8
127.03915	18.2
129.05507	3.3
129.06976	11.2
131.08572	32.0
133.06441	3.0
133.10135	47.7
135.08052	6.3
135.11697	27.5
137.09627	2.8
143.08546	7.6
145.04980	19.2
145.10139	20.1
147.11682	32.2
149.09599	13.2
149.13260	27.3
151.11197	4.7
155.08543	3.5
157.10161	11.0
159.08110	1.8
159.11700	34.1
161.09682	3.1
161.13283	17.7
163.06020	15.0
163.11209	6.5
169.10138	3.7
171.10353	3.1
171.11644	12.1
173.04489	2.8
173.13269	13.0
175.14845	7.3
177.12799	12.6
179.14305	5.1
183.11656	2.4
185.13309	9.0
187.11172	2.3
187.14835	4.1
189.12846	3.3
194.25850	1.7
195.12221	1.9
195.13800	11.0
197.13249	3.3
199.14819	4.9
215.18062	1.8
217.15855	2.9
219.13809	2.7
225.11073	2.0
227.12807	2.9
231.21059	5.7
239.17958	2.8
241.19537	15.8
243.12309	2.2
247.20583	2.3
255.15817	2.1
257.19009	8.5
259.18030	3.2
259.20605	47.1
267.15967	3.2
269.17480	95.1
275.20090	22.6
281.17474	2.8
285.07553	8.9
286.07980	7.7
309.21078	1.7
333.62466	1.6
349.23792	27.1
351.25314	100.0
352.25638	2.6
363.25119	2.5
381.87244	2.4
429.35074	2.0
441.26025	3.0
459.27451	2.6
461.28345	2.6
477.28302	3.3
495.29559	4.7
578.97528	2.9
718.88403	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	726.391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
55.01674	0.6
55.01878	6.1
55.05271	1.1
55.05515	15.0
57.03199	1.1
57.03444	12.7
57.07076	1.0
61.02650	1.0
61.02929	11.9
65.03923	1.4
67.05508	40.4
69.03436	7.9
69.07075	21.3
70.73302	1.8
71.01342	1.2
71.04996	5.4
71.08592	0.7
73.02915	5.5
77.28329	0.6
79.05497	31.9
81.02982	1.0
81.03420	12.7
81.07063	56.0
82.07390	0.6
83.04987	9.7
83.08623	12.0
85.02434	1.2
85.02909	16.5
85.06555	4.2
86.09718	0.8
87.04471	0.7
91.03970	8.1
91.04913	0.8
91.05484	26.8
93.07047	43.8
95.04968	7.8
95.08614	20.8
97.02905	9.4
97.06536	14.9
97.10161	5.7
99.04439	1.9
99.08102	3.1
100.74253	0.7
103.03957	1.4
105.04520	0.9
105.07036	19.6
107.04948	5.7
107.07873	1.3
107.08601	25.4
109.02876	2.3
109.06529	5.0
109.10164	10.1
111.04460	1.6
111.08089	5.3
113.09620	1.0
115.03931	1.5
117.07016	10.3
119.08582	16.0
121.06535	3.4
121.09324	1.0
121.10145	14.2
123.08072	2.7
123.11723	2.9
125.09657	4.1
127.03908	6.2
128.06209	0.7
129.05479	1.3
129.07018	3.6
131.08574	14.8
133.10133	17.3
135.04449	0.7
135.08087	3.8
135.11700	17.4
137.06036	0.6
137.09639	2.4
137.13232	1.0
139.11267	0.7
141.06961	1.1
142.07788	0.9
142.51833	0.6
143.08551	2.8
144.09294	0.9
145.04973	4.5
145.06396	1.1
145.10129	11.8
147.08006	1.7
147.11687	10.1
149.09634	10.0
149.13271	15.1
151.07480	0.7
151.11208	1.8
155.08566	1.7
157.10127	2.2
159.08078	0.8
159.11693	20.9
161.09656	1.5
161.13266	4.4
163.06030	3.8
163.11177	6.8
165.12761	2.3
167.07118	0.8
167.14250	0.7
169.10132	2.7
171.11687	2.1
173.04460	2.9
173.11873	1.1
173.13251	5.1
175.11246	1.6
177.12747	21.6
177.14261	1.4
179.14348	6.6
181.12271	2.3
183.11751	2.3
184.07362	2.1
187.11166	2.4
189.11211	1.4
189.12753	0.9
191.14282	0.9
191.17670	0.6
193.12302	1.9
195.13791	5.6
197.09492	0.8
197.13324	1.2
213.14807	1.5
215.14513	0.8
219.13744	1.0
227.12798	2.7
229.14371	3.9
229.19490	1.8
233.15253	1.0
239.17902	2.6
245.13860	1.1
247.20775	1.7
251.16418	5.1
255.15921	40.9
257.19012	6.1
267.15918	2.2
269.17487	100.0
270.17871	1.8
275.20056	19.0
285.07608	8.0
285.17126	1.3
286.07947	5.3
293.21121	2.4
309.20612	2.5
331.22574	1.4
349.23743	63.4
350.23972	1.3
351.25153	1.0
361.55441	0.7
367.24814	29.2
373.19150	0.8
377.19843	1.1
389.17944	2.2
395.20377	1.0
399.20300	1.5
413.21729	6.2
417.21350	1.8
421.25720	0.9
431.22665	1.9
461.28806	1.5
475.26993	1.5
493.27667	1.8
511.28970	7.1
529.29810	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	725.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.1
57.03438	0.7
61.02918	0.1
62.99873	0.1
66.56907	0.1
67.01867	0.1
68.48310	0.1
68.99821	0.1
69.03413	0.2
69.26441	0.7
71.01362	0.1
71.04997	3.1
73.02919	0.6
75.04478	0.1
83.04974	0.2
85.02912	3.8
87.04469	0.1
92.51535	0.1
97.02885	0.3
98.20778	0.1
111.04478	0.2
115.03931	0.2
127.03967	0.1
129.05473	0.7
133.06494	0.7
135.04427	0.2
147.06500	0.2
153.01797	1.1
159.04420	0.3
191.95288	0.1
242.05745	8.1
257.08212	0.1
270.05249	9.0
271.05807	0.1
285.07581	100.0
286.07980	0.7
327.08490	0.2
447.12881	1.0
579.17114	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	726.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.01869	4.6
55.05295	1.2
55.05511	12.1
57.03441	12.2
57.07051	1.6
59.04996	1.1
61.02929	8.4
65.03941	2.1
67.05511	42.5
69.03423	6.2
69.06786	1.2
69.07080	15.0
70.58203	2.2
71.04974	5.0
73.02908	3.8
79.05064	1.9
79.05498	27.2
81.03419	15.7
81.07063	44.8
82.03764	1.2
82.07384	1.2
83.04977	7.4
83.08627	11.1
85.02910	14.1
85.06551	2.9
86.09725	1.3
91.03981	8.4
91.05491	22.8
93.06478	2.6
93.07050	36.7
94.03590	1.0
94.07408	1.3
95.04975	8.8
95.08614	18.3
97.02876	8.0
97.06538	10.3
97.10202	6.3
98.20724	1.1
99.04454	1.2
99.08083	3.5
105.07035	18.7
107.04976	6.5
107.08609	23.1
109.02908	2.6
109.06535	5.0
109.10173	8.9
111.08105	7.8
117.07043	9.6
119.08587	13.6
121.06502	2.8
121.10158	13.2
123.08100	2.6
123.11723	3.2
125.09618	3.9
127.03942	4.6
129.05550	1.4
129.07011	3.2
131.08592	12.0
133.06511	1.3
133.10143	14.4
135.08058	3.2
135.11694	16.0
137.09576	2.6
139.11195	1.6
141.07040	1.3
145.04965	1.6
145.10141	10.6
147.08070	1.3
147.11691	6.6
148.42950	1.2
149.09659	7.1
149.13263	14.9
149.88826	1.2
151.11186	1.4
153.61345	1.4
157.10143	2.2
159.11710	17.5
161.13303	3.1
163.05980	3.4
163.11217	6.2
171.11662	2.7
173.04475	1.7
173.11752	2.3
173.13260	3.5
175.11189	1.7
175.14940	1.4
177.12772	23.8
179.14291	8.3
181.12219	2.8
183.11703	1.9
184.07321	1.5
187.11142	1.3
193.12257	2.1
194.12720	2.0
195.13828	7.1
197.13214	2.1
205.08487	1.1
209.11787	1.4
211.13281	2.7
227.12758	2.6
229.14371	3.9
229.19418	1.9
233.15260	1.3
239.17926	2.1
243.16103	1.4
251.16327	6.7
255.15947	34.9
257.19025	5.5
267.15967	8.1
268.16281	4.7
269.17499	100.0
269.78149	1.4
275.20056	15.4
277.21677	1.6
285.07516	6.6
285.17111	1.9
286.07855	4.9
293.20938	1.6
293.77560	1.3
318.52460	1.3
331.22610	1.5
339.18372	1.4
349.23764	59.7
350.24509	1.3
367.24802	24.5
373.17105	2.0
389.18155	2.0
413.21716	4.3
431.22440	1.8
435.26761	2.0
459.27469	2.2
460.27847	3.1
461.28217	8.0
477.28256	1.9
478.28662	2.1
479.29245	4.2
493.28137	2.0
511.28894	6.4
529.30188	1.8
661.12445	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.01867	3.6
55.05512	13.0
55.54937	0.9
57.03439	13.2
61.02914	0.8
67.05506	20.9
69.03426	4.9
69.07076	6.5
70.18032	3.7
71.04985	3.2
79.05496	20.5
81.03420	92.5
81.07057	19.4
83.04985	11.9
83.08620	24.4
85.02907	13.2
85.06535	1.0
88.06456	0.9
88.67632	0.9
91.05482	26.3
93.07045	15.0
95.04975	30.4
95.08612	8.3
97.02889	3.5
97.06541	3.1
97.10171	6.7
98.20695	1.0
105.07034	20.2
107.04955	8.4
107.08604	8.7
109.06521	5.2
109.10162	4.2
111.04427	2.8
111.08092	9.5
111.17275	0.9
113.05998	1.8
115.05478	1.9
117.07040	2.7
119.08581	16.3
119.09370	1.5
121.06511	5.3
121.10139	8.2
123.08060	3.1
125.09634	5.2
129.06996	12.2
131.04912	1.8
131.08585	12.1
133.06477	4.6
133.10136	8.8
135.08076	2.0
135.11662	1.1
137.09618	2.5
141.07077	1.0
142.07776	2.6
144.29825	0.9
145.06468	4.5
145.10135	2.9
147.08092	4.3
147.11690	11.0
149.09615	8.8
155.08588	1.3
157.10147	15.0
159.11746	1.5
161.06001	1.3
163.11156	2.4
165.12784	3.3
171.08086	2.7
171.11662	1.5
175.11194	14.7
187.14854	1.1
189.11218	1.6
193.12245	38.7
195.11740	1.2
211.11255	1.9
211.13268	16.7
215.14531	1.1
227.12709	1.0
229.14369	1.6
231.13811	1.4
233.15289	2.1
249.14886	2.1
255.13773	2.0
267.15918	100.0
268.16263	2.4
273.14874	4.1
285.07590	6.6
285.16934	14.2
323.19647	1.4
341.21127	1.6
349.21680	4.0
367.22717	9.3
385.23630	10.7
403.24628	2.1
415.50320	1.0
433.25925	14.0
441.26254	6.9
459.27414	74.6
460.27814	1.7
477.28497	43.2
585.30939	1.2
633.59076	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.01873	4.8
55.05273	0.5
55.05514	6.8
57.03440	6.5
57.07059	0.4
61.02927	5.0
62.69020	0.4
65.03923	1.3
67.05506	28.4
69.03431	3.9
69.06680	0.4
69.07069	8.1
70.62159	0.9
70.62483	0.5
71.05000	3.3
73.02924	2.6
79.05492	16.0
81.03419	5.6
81.07058	31.4
81.11352	0.4
83.04557	0.5
83.04987	6.6
83.08619	3.6
85.02452	0.4
85.02908	6.8
85.06548	3.7
87.04457	0.5
90.30916	0.4
91.03965	4.2
91.05482	25.0
93.07044	17.1
95.04979	5.3
95.08609	9.4
97.02896	4.2
97.06533	3.7
97.10173	0.9
99.04419	1.6
99.08068	0.9
103.93612	0.4
105.07032	21.9
107.04961	4.2
107.08591	19.5
107.48970	0.4
109.02848	0.8
109.06544	4.3
109.10157	29.5
110.10458	0.5
111.04411	1.4
111.08070	2.0
113.05952	1.2
116.06242	0.5
117.07016	3.8
119.08595	4.9
120.01369	0.4
121.06499	3.7
121.10152	3.5
123.04438	0.9
123.08054	1.7
123.10948	0.5
123.11724	6.0
125.09610	1.4
127.03907	1.9
127.07526	1.8
128.06232	0.8
129.05473	1.0
129.06978	1.8
131.04944	0.7
131.08562	6.6
133.06511	3.5
133.10133	39.0
134.10455	0.5
135.08038	4.1
135.11717	2.6
137.05942	0.7
137.09605	1.1
139.07478	1.0
143.08568	3.1
145.04930	1.2
145.06419	0.8
145.10117	3.5
147.08057	2.0
147.11667	2.5
149.09631	4.7
149.13184	0.8
151.11188	20.0
155.07043	0.5
155.08617	0.4
157.10097	1.5
159.08055	1.7
159.11673	1.4
161.09644	3.8
161.13248	1.2
163.06042	0.8
163.11150	1.3
165.09116	0.7
169.10133	0.4
169.12259	2.8
171.11707	1.2
173.04491	0.5
173.09625	0.6
173.11647	0.8
173.13091	0.7
175.11182	1.6
177.09093	2.7
177.12682	0.5
179.10690	1.1
185.13237	0.7
187.11182	0.5
189.12712	1.0
193.12251	0.9
197.11797	0.6
201.12627	0.4
203.14270	0.6
209.11739	0.9
213.12711	0.5
215.12726	2.2
217.12170	0.5
223.13214	0.5
227.12843	0.9
229.14285	1.2
233.15268	0.8
245.19029	2.7
251.12686	0.9
253.14355	67.0
253.61572	0.5
254.14633	1.3
255.17412	1.4
263.20041	2.1
267.15817	2.5
269.13867	2.1
269.17090	0.5
270.05472	0.5
271.15393	7.2
271.18091	0.5
273.18524	8.9
283.15524	1.2
285.07645	4.2
285.16980	2.9
291.19537	10.3
301.16595	0.7
309.20425	1.0
347.22180	6.6
365.23233	100.0
366.23401	2.7
383.24365	3.1
415.19626	0.7
451.26779	0.7
459.27213	1.8
477.28470	2.2
495.29361	1.3
501.87759	0.5
527.28314	4.6
545.29980	0.5
661.40039	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02967	0.8
53.03178	1.1
53.03942	2.2
55.01883	4.3
55.05270	1.0
55.05519	15.6
57.03442	5.9
57.07065	0.8
59.05003	1.0
61.02932	4.9
65.03916	1.4
66.18643	0.6
67.05511	23.6
69.03443	6.2
69.06725	1.1
69.07075	14.4
70.71811	2.1
71.04989	3.0
73.02916	3.1
76.46146	0.7
79.05062	1.3
79.05502	19.6
79.32841	0.7
81.02988	1.0
81.03430	15.5
81.07065	23.3
83.04997	5.9
83.08626	11.3
85.02913	9.4
85.06557	1.3
87.00843	0.7
87.04435	0.7
91.03982	3.5
91.05483	15.3
93.07052	14.6
95.04977	8.4
95.08618	9.4
97.02902	9.0
97.06538	4.3
97.10173	10.6
99.04460	1.4
104.70757	0.8
105.06393	1.1
105.07040	14.5
107.04970	5.4
107.08602	12.2
109.02872	1.6
109.06516	3.2
109.10161	7.9
111.04443	1.8
111.08118	3.4
115.05523	0.9
117.07043	3.8
119.08599	11.0
121.06529	3.2
121.10149	6.1
123.04437	1.7
123.08066	3.1
123.11732	3.8
125.09646	7.6
127.03933	2.2
129.05476	1.4
129.06966	3.6
131.08598	7.1
133.06491	2.2
133.10136	7.5
135.08014	3.6
135.11694	4.3
137.09605	2.1
142.07835	0.8
143.08588	1.2
145.04958	1.8
145.06535	1.0
145.10133	5.2
147.08041	5.9
147.11678	10.4
149.06094	0.7
149.09624	2.9
149.13258	1.9
151.11201	2.4
152.21248	0.8
153.09081	1.5
153.12794	1.0
157.10120	4.3
159.11722	2.1
161.09590	1.6
163.06029	2.0
163.11230	4.0
165.12794	2.9
169.10220	0.8
171.10194	1.2
171.11647	1.2
173.09622	1.5
173.11810	1.0
175.11212	3.0
177.12712	0.9
178.97691	0.7
189.11316	3.4
189.12776	1.0
193.12245	8.1
195.13811	1.2
200.44498	0.7
205.12158	1.7
209.11751	2.2
211.13350	2.5
222.69746	0.8
223.13310	12.2
227.12743	6.7
229.14348	4.4
229.16246	0.7
233.15475	1.4
242.05797	0.8
249.14865	1.7
253.14371	1.3
263.20157	0.7
267.15921	20.8
267.18585	1.5
268.16135	0.9
269.17422	2.1
270.05228	1.0
273.18546	8.5
283.15506	1.8
285.07611	21.8
285.16977	18.8
291.19571	75.0
292.20020	1.9
301.16553	2.9
301.19693	0.8
347.22195	2.7
365.23264	100.0
366.23431	2.4
383.24689	0.9
451.27020	2.8
459.27646	5.3
460.28586	0.8
477.28589	16.9
495.29654	2.2
517.20618	0.8
527.28424	2.2
579.17505	1.3
622.76489	0.8
724.29169	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.0
55.05516	26.9
57.03433	5.4
57.07079	6.4
61.40562	3.1
65.03960	3.7
67.05177	6.2
67.05510	79.4
69.03421	8.2
69.07070	18.1
71.04993	20.7
79.05499	48.8
81.03410	18.8
81.07062	100.0
83.04984	16.1
83.08617	11.4
85.06541	7.6
91.05486	42.0
93.07055	55.1
95.04974	7.7
95.08619	34.1
97.02912	7.5
97.06544	5.5
97.10165	4.4
98.20774	5.8
99.04480	3.4
99.08085	4.3
103.05460	4.0
105.07044	22.4
107.08603	29.0
109.06558	6.0
109.10168	19.1
109.44998	3.2
111.04479	5.4
111.08060	3.7
117.07023	5.8
119.08617	16.4
121.10161	19.8
123.08063	3.4
123.11734	7.0
129.05496	7.2
129.06940	4.4
131.08572	19.5
133.10124	21.3
133.75421	3.0
135.08080	3.6
135.11714	8.9
143.08583	7.2
145.10184	7.0
145.11499	3.0
147.11630	7.9
149.13258	8.9
151.11101	4.4
159.11690	11.3
173.04514	7.7
173.13300	6.1
175.14932	3.3
177.12805	4.8
187.13358	5.1
227.16528	3.5
229.11125	4.0
257.17508	4.1
269.17468	7.7
335.25824	37.8
369.24261	4.7
445.24411	6.6
503.37473	41.7
505.38864	5.7
517.38934	7.5
529.38605	16.7
561.41528	49.2
611.46442	4.2
673.43115	6.3
705.44855	12.2
723.46191	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	723.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.9
55.01870	1.5
55.05270	1.1
55.05512	18.6
57.03444	9.3
57.07058	1.9
59.04987	1.4
65.03929	2.9
67.05508	70.6
69.03435	9.3
69.07071	15.1
69.24424	3.3
69.24851	7.5
71.04993	16.4
71.08611	1.1
72.27911	1.0
79.05496	41.2
81.03426	22.4
81.07059	100.0
83.04984	15.9
83.08620	10.7
85.02881	3.6
85.06537	7.8
86.09720	1.6
91.05485	33.4
92.05843	1.5
93.07048	42.1
95.04443	1.0
95.04957	6.3
95.08611	37.8
97.02877	5.7
97.06519	5.2
97.10132	3.4
99.04456	3.1
99.08080	1.6
99.13194	1.1
105.04503	1.2
105.07031	22.0
107.04950	1.9
107.08601	26.5
109.02854	2.5
109.06525	3.8
109.10162	12.5
111.04428	2.4
111.08077	3.0
117.07026	8.9
119.04971	1.4
119.08599	13.1
121.06470	1.9
121.10151	19.0
123.08033	1.4
123.11714	13.5
125.09642	1.8
127.03919	2.9
129.05513	6.8
129.06996	2.9
131.08575	12.8
133.10135	19.4
135.08138	2.1
135.11716	9.8
139.11214	1.8
143.08533	3.0
145.10121	7.1
147.04422	1.9
147.11674	8.2
149.09633	2.2
149.13281	7.6
151.11182	4.5
157.10085	3.0
159.11713	8.0
161.13231	4.3
163.11205	1.4
165.12746	1.5
169.10046	1.6
173.04454	7.4
173.13261	3.4
175.14861	2.0
177.12744	4.5
183.11659	1.7
183.13776	1.9
184.07347	6.3
185.13271	1.5
187.13249	6.0
187.14815	2.2
193.12234	2.3
195.11940	1.0
195.13846	3.3
199.14943	1.4
201.14775	2.5
216.95311	1.2
225.14691	1.2
227.12727	1.5
229.14384	1.2
229.97688	1.2
243.15866	4.1
257.17465	1.9
259.20593	1.6
261.22073	3.6
267.15866	1.7
269.17438	6.9
275.20148	1.5
301.20267	1.1
335.22055	2.3
335.25824	28.8
339.18057	1.4
351.23248	1.6
369.24109	3.1
387.25360	1.4
395.20508	1.2
413.21445	3.5
445.24411	5.8
461.28955	1.4
485.36169	2.3
503.37326	42.8
504.38010	1.5
505.38657	5.8
517.38788	6.7
527.37335	1.4
529.38763	12.3
543.36395	1.7
561.41571	47.6
562.41724	1.7
625.44336	1.1
673.43213	6.5
691.43774	2.2
705.46014	13.1
723.44891	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	723.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.5
53.03950	2.2
55.01883	4.9
55.05269	0.9
55.05516	12.7
57.03436	1.7
57.07075	1.5
59.28360	0.6
65.03938	1.8
67.05509	37.8
68.05885	0.5
69.03450	0.6
69.07076	12.1
70.64928	1.6
71.04999	1.5
71.08641	2.5
77.03924	0.6
79.05500	26.5
81.03422	1.6
81.07062	37.1
83.04995	3.1
83.08610	7.0
85.06522	1.3
85.07651	0.7
91.05486	18.9
93.07048	22.9
94.03391	0.5
94.07388	0.6
95.04982	4.0
95.08617	24.1
97.06531	7.6
97.10168	4.0
99.08099	2.1
105.04485	1.1
105.07037	18.5
107.04962	7.4
107.08606	18.3
109.06532	2.7
109.10165	8.9
109.10843	0.8
111.08097	1.9
113.00019	9.7
113.09639	0.7
115.05560	0.7
117.07021	5.6
119.08587	12.5
119.09451	0.6
121.06510	1.4
121.10157	6.5
121.83086	0.5
123.08086	1.1
123.11710	3.9
125.09695	2.8
128.06274	0.6
129.07036	1.3
131.08568	6.3
133.06628	0.7
133.10143	10.9
134.15724	0.5
135.08099	1.7
135.11685	5.2
137.06003	1.1
137.09662	0.8
137.13303	0.9
143.08643	1.3
145.10129	7.5
147.11682	7.0
149.09624	5.8
149.13280	1.7
151.11238	2.0
153.09114	1.1
155.08548	0.9
157.10143	2.1
159.11703	4.4
161.09608	0.9
161.13281	3.6
163.11189	3.8
163.14824	1.5
165.12839	0.6
169.02605	4.7
169.10164	1.3
171.11723	1.7
173.13316	2.5
175.11235	0.7
175.14819	1.4
177.12822	1.5
179.14369	2.3
183.11729	1.2
187.11212	0.9
189.11270	1.4
197.13298	0.7
227.12767	1.7
229.19595	1.1
236.65065	0.6
239.17973	1.5
247.20544	1.2
257.19077	3.4
263.23773	1.4
275.20093	26.6
275.23157	1.3
276.20602	0.8
277.21524	4.8
293.21069	3.8
295.22772	1.3
313.21774	0.8
317.17868	0.6
331.22858	1.7
337.27325	3.5
349.23563	2.7
593.45862	1.4
611.46741	100.0
612.47070	3.3
622.28009	0.8
723.44720	0.6
750.46259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01865	1.4
55.05508	3.6
57.03448	3.3
60.90120	0.6
61.02932	4.1
65.03948	1.0
67.05509	14.9
67.42233	0.5
68.14313	0.6
69.03439	3.5
69.07071	4.0
69.87865	2.3
71.04978	1.9
73.02917	3.2
73.33877	0.6
79.05494	6.2
81.03430	4.2
81.07063	10.1
83.04993	2.2
83.08625	1.8
85.02921	4.7
85.06541	0.9
91.03957	2.0
91.05484	7.3
93.07043	7.1
95.04961	1.7
95.08610	5.0
97.02872	3.5
97.06520	1.5
97.10175	1.4
99.04470	1.0
101.02359	0.8
105.07050	4.2
107.04968	1.1
107.08579	4.0
109.02883	1.2
109.10164	8.8
111.08118	1.0
117.07032	2.0
119.08567	4.8
121.06513	0.8
121.10166	2.4
123.08105	0.8
123.11646	0.8
126.72581	0.5
127.03954	1.5
129.05573	0.8
129.07025	1.4
131.08563	2.7
133.10121	3.6
135.11751	1.1
137.09671	1.0
143.08563	1.3
145.10162	2.8
147.08098	0.9
147.11708	2.4
149.13268	1.4
155.10710	0.7
157.10129	1.1
159.11729	1.9
163.11189	0.7
171.11711	0.6
173.04420	1.0
173.11774	2.2
173.13194	0.7
185.13286	0.7
229.14397	1.5
243.08395	2.7
269.17502	1.3
275.20203	2.3
333.20358	1.4
334.18710	0.6
349.23819	1.8
404.89926	0.7
413.17743	9.6
453.20993	0.9
543.36920	4.0
551.28479	4.3
561.37488	1.7
572.91187	0.7
582.57684	0.6
720.96545	0.6
723.39264	100.0
724.39325	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	723.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.5
56.96568	14.0
60.07655	0.3
67.05479	1.4
69.03400	0.4
69.07040	0.3
71.95238	1.5
72.96064	1.8
79.05467	1.3
81.03413	2.1
81.07027	1.2
83.08591	0.9
85.02890	0.7
87.69421	0.3
91.05449	1.3
93.07015	1.0
95.04955	0.6
95.08578	0.6
97.02857	0.5
97.06480	0.4
97.10174	0.4
98.21617	0.6
105.07008	0.6
105.66893	0.3
107.04932	0.5
107.08582	0.7
107.23323	0.3
109.10151	0.9
110.97586	0.5
111.04406	0.4
119.05101	0.4
119.08598	0.8
121.06489	0.5
121.10136	0.8
127.03927	0.5
129.06970	0.4
131.08551	0.6
133.10016	0.4
136.51450	0.3
137.02667	0.7
138.27219	0.3
139.00638	0.4
141.02223	0.9
143.08655	0.4
147.04419	0.7
147.11665	0.4
155.03780	0.6
157.10104	0.5
159.03282	0.9
165.09100	0.4
167.03873	0.4
171.03282	1.1
181.01826	0.4
185.04883	1.0
189.04337	0.7
193.05367	0.4
193.12218	0.5
199.02795	0.8
199.06422	0.7
203.02255	0.6
203.05867	0.9
207.57240	0.4
211.06488	1.0
217.03984	0.6
217.07390	0.5
217.12297	0.3
223.09996	5.2
229.07578	0.6
229.14182	0.4
237.07930	0.8
241.11116	56.0
242.11490	0.9
249.08002	1.5
255.09050	0.5
259.12192	48.4
264.12735	4.9
267.09027	10.4
267.15930	2.1
282.13757	2.8
285.10110	38.9
286.10422	0.5
287.10715	0.3
290.10248	0.4
303.11148	17.3
304.11169	0.4
308.11661	3.4
326.12756	0.9
391.48193	0.4
459.27295	2.1
477.22299	0.8
477.28607	2.1
495.22672	100.0
496.23050	2.4
535.06262	0.4
536.25220	1.2
561.36053	0.5
567.28986	0.4
702.27368	0.4
723.28491	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.2
53.03949	1.6
54.09789	0.1
55.01887	0.2
55.05495	0.3
55.62084	0.1
57.03447	0.3
65.03958	0.5
69.03432	1.6
70.06586	0.2
71.05003	0.7
73.02937	0.8
79.05489	0.2
81.03422	3.3
81.07077	0.2
83.04989	0.7
85.02911	3.3
91.05486	3.4
95.04989	0.3
97.02905	2.8
98.21567	0.2
99.04465	3.7
103.03934	0.8
105.07042	0.2
107.04988	0.5
109.02890	7.7
109.10195	0.1
115.03949	0.2
119.04957	8.2
121.02900	0.2
123.04422	0.2
124.07693	0.2
125.02360	0.7
127.03928	100.0
128.04286	0.6
133.06479	0.3
133.10063	0.2
135.04503	0.2
137.06007	0.2
145.04961	2.1
147.04424	36.8
148.04747	0.4
151.03944	0.3
153.01807	0.2
157.06590	0.2
159.08075	0.2
163.06102	0.2
165.05502	0.6
169.05011	0.8
169.06343	0.2
177.05516	0.2
183.08095	0.2
187.06056	1.2
187.07536	0.2
188.14015	0.2
189.05525	0.2
199.07571	0.2
205.07037	0.2
211.07599	0.3
213.05400	0.2
227.06972	0.2
229.08755	0.4
231.06592	0.4
235.06059	0.3
237.05460	0.3
253.07100	0.8
254.05745	0.2
255.06572	1.3
269.08157	1.1
271.08151	1.9
273.07578	0.9
285.07648	0.2
289.09344	0.2
291.08694	1.4
293.08740	0.1
309.09671	0.4
333.09735	0.2
351.10754	0.9
379.10056	0.2
381.09842	0.2
391.13583	0.2
393.11624	0.2
397.11597	0.3
399.10736	0.4
414.12347	0.2
415.12643	0.6
417.11890	0.7
435.12982	0.4
466.66617	0.2
545.99304	0.2
561.15802	0.3
566.20752	0.2
579.16675	0.6
597.18036	3.4
625.95392	0.2
723.19513	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	723.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.4
53.03947	2.4
55.01869	0.6
55.05507	0.6
57.03439	0.6
57.62826	0.2
61.02938	0.5
65.03955	0.9
67.32417	0.3
69.03436	4.7
70.06609	0.4
71.05000	1.5
71.53889	0.3
73.02909	1.5
81.03420	8.4
83.04991	1.1
85.02907	8.4
87.04472	0.5
91.05489	8.0
95.04997	0.3
97.02903	7.8
99.04459	11.0
99.05117	0.5
103.03951	3.1
107.04974	0.5
109.02888	21.2
109.65749	0.3
111.72572	0.2
115.03951	0.4
119.04948	20.5
121.06499	0.3
123.04430	0.4
125.02389	1.1
127.03925	71.7
128.04283	0.6
137.05936	0.3
145.04973	5.9
147.04417	100.0
148.04768	1.1
151.03903	0.5
155.08401	0.3
157.04967	0.4
157.06558	0.4
159.04312	0.4
159.08072	0.4
165.05489	1.8
165.06796	0.5
167.07033	0.2
169.04924	0.7
171.04364	0.6
173.02357	1.0
173.04524	0.3
173.05949	0.3
177.05440	0.5
181.06450	0.6
183.08139	0.3
185.05986	0.4
187.06026	2.1
187.07530	0.5
189.05539	0.9
191.03391	1.1
191.07193	0.3
199.06027	0.4
199.07629	0.4
205.06972	0.3
209.06026	0.6
209.08049	0.7
211.05902	0.4
211.48848	0.3
213.05504	1.0
217.04916	0.6
227.07085	0.6
229.08827	0.4
231.06570	0.5
235.05994	1.4
237.05534	1.8
253.07077	2.9
255.06541	7.0
255.61154	0.3
271.08102	4.5
273.07611	1.4
289.09134	1.0
291.08633	3.0
309.09827	0.8
331.07410	0.3
345.07648	0.4
351.10803	1.6
363.08533	0.9
379.10165	0.9
381.09335	0.6
397.11227	1.3
399.10663	0.9
415.12265	0.9
417.11847	1.4
435.12799	1.4
507.12085	0.3
525.13715	0.7
543.14777	0.9
561.15723	1.1
579.16669	0.9
597.18237	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	721.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.0
55.01876	7.2
55.05275	1.7
55.05518	29.0
57.03438	12.5
57.07059	3.6
59.05004	1.8
61.02915	5.1
62.07592	1.1
65.03947	6.0
67.05508	89.8
69.03081	1.5
69.03431	20.5
69.06730	2.2
69.07072	28.4
69.07451	1.7
71.01339	2.0
71.04999	31.5
71.08614	1.3
73.02908	3.0
77.03928	1.6
79.05499	58.1
81.03426	43.3
81.07062	100.0
83.04987	15.4
83.08625	15.8
85.02900	8.8
85.06541	10.7
87.04449	1.7
91.03968	1.7
91.05484	62.7
92.05766	1.7
93.07050	63.7
95.04985	14.2
95.08615	43.1
97.02891	16.8
97.06538	13.1
97.10178	7.6
99.04449	5.0
99.08092	1.9
102.06655	1.3
103.05434	1.8
105.04534	2.0
105.07038	55.4
107.04984	7.3
107.08598	34.7
109.02878	9.9
109.06539	6.5
109.10162	16.4
111.04440	5.0
111.08085	4.1
113.09726	1.2
115.05453	3.3
117.06227	1.6
117.07019	24.2
119.08594	38.7
121.06496	3.8
121.10151	22.8
123.08049	5.0
123.11725	12.5
125.05949	1.1
125.09641	4.1
127.03901	6.4
127.07675	1.2
128.06200	5.3
129.05460	3.6
129.07011	16.1
130.07771	2.9
131.04924	2.4
131.07597	1.8
131.08574	36.8
133.06458	4.3
133.10136	38.0
135.08052	5.5
135.11697	16.8
137.05968	2.3
137.09604	5.4
137.13293	1.6
139.11148	1.6
141.06963	6.0
142.07791	3.8
143.08578	21.9
144.09212	1.3
145.06451	3.4
145.09068	1.8
145.10136	29.1
147.08026	4.9
147.11690	25.9
149.09601	6.5
149.13269	11.4
150.57283	1.3
151.11203	7.2
153.12831	1.8
154.07883	1.2
155.08580	8.7
156.09306	1.8
157.10147	19.7
159.08061	3.6
159.11697	25.3
161.09645	3.8
161.13251	10.7
163.11147	4.0
163.14807	3.5
165.12730	2.9
166.07742	1.2
167.08543	4.2
168.09384	2.1
169.10117	13.5
169.12355	1.5
171.08131	1.2
171.11707	18.4
173.04489	14.9
173.09612	2.4
173.13263	13.6
175.11238	6.5
175.14790	3.9
177.12698	5.7
179.08519	2.5
179.10542	1.2
179.14200	1.4
181.10100	5.5
183.08057	2.6
183.11710	10.9
183.13280	1.8
185.09593	2.0
185.13295	12.0
187.11253	2.5
187.13243	3.7
187.14795	5.7
189.11212	2.2
189.12791	2.8
192.09486	1.1
193.10153	2.3
193.12219	5.7
194.10918	1.2
195.11678	4.9
195.13840	3.5
197.09599	1.7
197.13295	8.2
199.11227	3.2
199.14825	6.4
201.12863	1.8
201.14699	2.2
201.16438	2.6
203.28580	1.1
207.11699	3.0
209.13246	5.1
211.11172	2.5
211.14777	5.1
213.12762	2.2
213.16470	2.6
219.11720	1.7
223.14780	2.8
225.12779	2.0
225.14830	3.5
227.16217	2.6
227.18153	1.5
229.19637	1.4
231.21037	2.3
239.18082	1.7
241.19664	7.2
243.15804	6.0
243.21167	2.6
245.15369	1.5
253.19533	1.7
257.19003	3.6
259.20758	12.1
261.22110	5.3
267.15884	5.3
269.17294	7.3
271.20572	1.7
273.18433	5.8
275.20084	6.0
283.20480	2.8
285.22064	3.0
289.21622	2.0
291.19501	4.3
297.22021	2.2
301.20184	2.6
309.21924	1.5
313.21582	2.9
315.23184	1.6
317.24875	2.0
325.21564	1.6
331.22833	1.5
333.24411	9.8
335.25903	2.6
339.23135	2.8
341.24927	1.4
343.22528	1.6
345.23746	1.4
349.23837	1.8
351.23044	3.5
355.22855	1.5
365.23410	2.2
367.22632	5.1
369.24323	2.9
385.23755	2.8
387.25430	2.7
393.31372	1.7
403.24390	2.0
409.30759	2.5
411.20258	1.4
411.32422	1.8
413.21634	4.5
417.31467	2.1
435.32645	3.4
441.26163	2.2
445.24173	2.9
483.34549	2.9
485.36414	2.1
501.28632	2.1
501.35693	27.9
502.35828	1.6
503.37341	39.4
504.37454	2.5
509.36215	3.4
525.35400	1.3
527.37390	38.2
528.37732	1.8
533.38300	2.1
541.35242	6.6
543.36182	2.9
559.37329	6.4
569.38336	1.7
581.37573	1.9
609.37195	1.3
617.37354	1.5
627.39362	1.7
635.39508	4.5
653.40131	4.9
667.41882	7.8
671.41528	6.6
685.42249	6.8
687.92792	1.2
689.42780	14.0
703.43439	10.7
704.43530	1.4
721.44116	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	721.452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.6
53.03953	4.6
53.04158	1.0
55.01866	3.1
55.05513	17.4
57.03447	6.9
57.07075	1.5
65.03940	2.2
65.98062	0.7
67.05508	52.6
68.05828	1.0
69.03426	2.1
69.07070	12.4
70.03175	3.0
70.99695	0.6
71.04993	1.8
72.72110	0.6
73.06544	1.4
77.03915	0.9
79.05495	55.7
81.03418	5.9
81.07059	49.3
83.04985	8.1
83.08624	5.8
85.02888	0.9
85.06529	1.8
91.05487	42.4
92.05805	0.9
93.07045	55.7
95.04971	11.7
95.08609	32.4
97.02888	1.0
97.06541	3.3
97.10155	3.0
98.21401	0.9
99.08051	0.7
103.05480	0.9
105.04509	2.1
105.07034	26.5
107.04961	2.7
107.08597	21.3
109.06538	3.4
109.10145	9.2
111.08086	2.0
115.05428	0.9
117.07024	7.4
119.08589	18.1
121.06500	1.9
121.10147	10.7
123.08067	3.1
123.11703	1.9
124.99979	0.8
127.07524	0.8
128.06236	1.2
129.07016	7.4
131.08563	5.9
133.10121	9.4
135.08026	1.5
135.11705	6.5
137.09601	1.0
141.09103	0.8
143.08553	5.2
145.10118	9.3
147.08038	0.8
147.11690	20.2
147.12807	1.4
149.13266	2.4
154.43149	0.6
157.10126	1.0
159.11687	3.2
161.09590	2.4
161.13240	6.4
163.14893	1.1
169.10123	0.8
171.11705	14.2
173.13284	1.9
177.12805	1.0
179.14316	1.1
189.12755	6.0
207.13809	13.6
225.14862	1.5
238.46013	0.7
243.21129	1.1
259.20584	0.9
261.22116	4.9
267.16016	0.8
275.20151	2.2
279.15912	1.6
281.17471	36.8
315.38568	0.6
317.24933	1.8
335.25797	48.2
336.25952	1.3
349.24207	1.0
427.86710	0.7
449.34290	1.1
454.09039	0.7
467.35410	0.7
488.53809	0.8
541.38934	100.0
542.39246	4.3
559.40338	1.4
609.44751	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	721.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.7
51.51753	0.7
53.03948	5.1
55.01869	2.1
55.05270	1.1
55.05519	15.4
57.03436	6.0
57.07058	1.2
59.06124	1.0
65.03936	2.8
67.05509	51.6
69.03432	2.3
69.07073	12.9
71.04984	1.7
73.06550	0.9
77.03940	1.1
79.05499	56.0
80.05843	0.7
81.03427	6.2
81.07062	51.0
83.04987	7.3
83.08638	5.4
85.06551	1.9
85.07687	0.7
91.05486	37.1
92.05809	0.8
93.07050	54.7
95.04975	12.4
95.08613	33.9
96.08915	1.1
97.02901	1.1
97.06550	4.3
97.10172	3.1
98.21576	1.1
105.04549	2.5
105.07038	26.3
107.04977	3.6
107.07883	0.9
107.08604	19.2
107.09303	1.3
107.49989	0.7
109.06523	3.9
109.10165	9.3
111.08065	1.2
117.07011	8.1
117.07758	1.0
119.08586	19.3
121.06528	2.1
121.10154	11.5
123.08086	3.8
123.11726	2.3
125.09712	0.7
127.07561	0.9
128.06270	1.3
129.07004	8.3
131.08575	6.0
133.10139	9.5
135.11711	8.0
137.09610	0.9
138.69545	0.6
143.08571	6.6
145.06522	0.9
145.10143	10.7
147.08023	1.2
147.11693	20.0
149.13281	3.1
151.70782	0.8
159.11702	3.1
161.09616	2.3
161.13260	6.9
163.21040	0.7
171.11707	12.0
173.13264	2.6
175.14861	1.0
177.12889	0.7
177.16254	0.7
179.14285	0.7
187.14902	1.5
189.12746	6.2
199.14954	0.8
207.13820	14.7
224.12772	0.8
225.14879	1.6
243.21114	1.5
261.22156	6.1
275.15585	1.1
275.20193	0.9
279.15976	1.6
281.17493	34.0
317.24695	1.1
335.25815	49.5
336.25827	1.8
418.17413	1.2
419.17599	1.2
420.19296	0.8
433.19754	1.2
434.20453	2.0
435.21066	1.3
447.21829	1.4
448.21906	2.8
449.22787	4.2
475.21255	2.5
476.21527	5.2
477.21997	7.9
478.22534	1.0
505.21359	1.5
509.23444	0.9
536.23645	3.7
537.24072	6.6
541.38947	100.0
542.39264	4.5
549.23901	1.3
551.25671	0.8
563.25647	3.6
564.26471	2.5
565.26874	1.2
609.25970	0.8
609.45459	4.9
622.27600	2.8
623.19727	0.6
623.27997	18.6
624.28497	47.5
625.28687	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	720.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.4
53.03957	2.8
55.01874	1.2
55.05273	0.5
55.05516	7.0
55.05777	0.4
57.03441	4.3
57.07050	0.5
61.02905	0.4
63.67462	0.4
65.03940	0.8
67.05509	16.7
69.03422	1.4
69.07076	3.5
70.08996	1.3
71.04990	1.0
71.25816	0.4
73.06534	0.8
79.05496	26.0
81.03423	34.2
81.06580	0.8
81.07056	15.3
83.04988	4.5
83.08621	7.2
83.72927	0.4
85.02889	1.0
85.06528	1.1
87.65973	0.4
91.04895	0.7
91.05482	21.9
93.07046	24.9
95.04977	14.2
95.08606	7.6
97.02888	1.6
97.06533	2.1
97.10177	1.6
98.21514	0.6
99.08089	0.5
105.04523	0.6
105.07038	16.0
107.04973	4.0
107.08597	5.3
109.02913	0.5
109.06522	3.4
109.10160	1.9
111.04428	0.9
111.08090	3.2
115.05431	0.6
117.07034	2.9
119.04948	0.8
119.08590	11.0
121.06510	1.8
121.10142	3.0
123.04389	0.5
123.08112	2.4
127.03918	0.5
128.06264	0.8
129.07014	7.9
131.08566	4.1
133.06474	1.2
133.10135	5.4
135.08070	0.9
135.11708	0.6
137.09628	1.0
142.07806	0.7
143.08571	3.2
145.06471	0.5
145.10138	4.7
147.08028	2.1
147.11693	16.6
149.09641	1.2
155.08447	0.5
157.10146	3.9
159.11702	0.6
161.09613	1.5
161.13258	4.4
163.11179	0.4
165.12779	0.6
171.11702	9.2
175.11174	3.3
189.12779	3.1
193.12260	8.5
199.52026	0.5
202.41069	0.4
207.13815	9.1
211.13332	0.6
249.14922	1.1
267.15927	30.5
268.16232	0.6
281.17484	34.0
282.17926	0.7
381.24548	0.4
399.25366	0.5
421.26083	0.6
447.27673	0.7
455.28064	0.8
463.43195	0.5
473.29016	100.0
474.29398	3.9
491.29968	3.3
515.29999	1.6
522.37762	0.5
581.31061	0.9
716.18011	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	10.2
55.01861	4.9
55.05268	2.0
55.05516	26.9
57.03438	14.0
57.07073	5.1
57.07710	1.7
60.17636	1.6
61.02915	5.7
65.03942	3.0
67.05507	76.7
69.03434	4.8
69.07072	22.3
71.04992	7.4
71.18073	3.8
73.02911	2.5
79.05499	100.0
79.09537	2.1
79.87669	2.0
81.03429	10.5
81.07063	72.9
83.04992	11.9
83.08627	11.6
85.02901	7.3
85.06532	4.9
91.03966	2.4
91.05485	98.5
93.07047	95.2
95.04982	18.6
95.08608	46.9
97.02889	4.0
97.06528	6.0
97.10171	5.4
99.08102	2.5
103.05468	4.0
105.04550	3.0
105.07039	79.8
107.04969	8.5
107.08607	33.4
109.06512	8.2
109.10162	13.4
111.08074	3.9
113.09673	1.7
115.05449	5.2
116.09695	2.0
117.07019	29.7
119.08582	66.7
121.06432	3.6
121.10143	19.6
123.08055	7.9
123.11732	2.9
125.09627	2.1
128.06212	6.2
129.06998	26.3
131.08578	36.0
133.06554	1.9
133.10127	41.2
135.08040	2.9
135.11703	16.4
141.07022	5.5
143.08562	21.4
144.09357	2.0
145.10124	32.3
147.08041	3.0
147.11696	63.6
149.09621	1.9
149.13229	7.4
151.11235	3.0
155.08543	7.0
156.09360	3.8
157.10144	14.7
158.11185	1.8
159.11688	24.3
161.09564	4.9
161.13264	33.6
163.11177	3.2
163.14821	5.2
167.08565	5.0
169.10144	11.2
171.11705	41.2
173.13283	15.2
175.11227	3.1
175.14804	15.2
177.12794	4.9
179.03578	2.1
179.14299	1.6
181.10118	7.5
183.11702	8.1
185.13286	12.2
187.14844	6.3
189.12755	11.4
193.10187	1.8
195.11702	6.1
195.13503	2.2
197.13257	6.7
199.14809	8.3
207.11855	3.3
207.13744	22.1
209.13312	5.1
211.14839	5.4
213.16411	5.3
215.17973	2.0
221.13326	4.0
223.14963	2.5
225.16496	2.1
231.21091	5.3
237.16591	3.7
239.17950	2.4
241.19507	28.6
251.17917	2.0
254.39178	1.8
257.18997	4.8
259.20572	56.0
261.16403	2.2
261.22058	2.1
261.73953	1.9
279.15823	12.5
281.17490	69.4
297.22147	2.2
309.22018	2.5
313.21304	2.0
315.23181	6.9
323.23492	2.2
331.22443	2.9
333.24231	39.6
335.23596	2.6
353.24374	2.3
437.34085	6.7
447.32584	11.9
465.33835	15.3
483.34927	8.3
521.36163	7.5
529.38586	3.4
539.37347	97.1
540.37561	4.1
557.38422	42.8
647.39807	3.4
701.42950	9.0
719.42426	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	719.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28512	1.8
53.03953	8.8
55.01864	7.1
55.05271	1.9
55.05513	33.0
57.03431	12.0
57.07067	4.4
61.02915	4.9
64.51212	1.9
65.03936	5.5
67.05508	81.2
69.03421	6.0
69.07071	22.0
71.04998	8.1
73.06557	2.2
75.56219	1.6
79.05499	99.9
81.03427	11.6
81.07061	75.7
83.04984	12.5
83.08606	8.8
83.48553	1.6
85.02901	5.9
85.06543	6.2
89.20478	1.6
89.64335	1.6
91.05486	100.0
93.07048	95.5
95.04977	17.4
95.08609	53.4
97.02882	6.7
97.06525	7.7
97.10161	6.7
98.20618	3.3
99.08076	2.5
103.05437	4.0
105.04513	3.1
105.07035	94.6
107.04971	10.3
107.08598	39.2
109.06517	9.7
109.10162	13.3
111.08092	5.0
115.05408	3.9
117.07018	26.8
119.08585	72.8
121.06500	3.6
121.10149	24.6
122.04708	1.8
123.08082	7.6
123.11678	1.8
125.09657	3.5
127.03933	2.4
127.07549	2.1
128.06187	4.2
129.06999	32.0
130.07858	2.7
131.08565	33.7
133.10132	50.6
135.08037	3.8
135.11713	19.4
137.09663	2.8
141.06975	4.9
141.09102	1.7
142.07764	4.0
143.08556	27.0
145.06465	4.1
145.10132	37.6
147.08000	4.2
147.11693	58.6
149.09627	2.1
149.13242	9.7
151.11143	2.9
155.08528	10.2
156.09314	2.3
157.10130	18.8
159.08054	2.5
159.11696	27.7
161.09651	4.5
161.13263	34.3
163.11191	5.1
163.14836	6.0
167.08615	4.1
169.10112	14.7
171.11693	38.4
173.13239	15.9
175.14804	14.5
177.12766	5.8
179.08490	2.0
181.10118	7.2
183.11714	9.4
185.13292	15.9
187.11218	2.2
187.14804	4.9
189.12770	10.2
191.14333	2.8
195.11684	5.6
195.13574	1.9
197.13281	6.3
199.14818	11.1
203.14259	2.3
207.13785	18.1
209.13258	6.1
211.14856	4.0
213.16347	4.1
215.14336	1.8
215.18047	3.7
221.13550	1.9
223.14853	2.9
231.17358	2.5
231.21048	6.0
235.14801	2.5
237.16393	2.5
241.19493	23.0
243.21143	2.1
249.16400	2.9
257.19107	6.7
259.20587	66.0
259.23346	3.4
261.22052	3.8
271.20831	1.8
275.20114	2.5
279.15979	13.1
281.17474	65.1
285.21768	2.1
309.22073	1.7
313.21738	2.1
315.23209	4.6
323.23642	3.8
331.22833	1.9
333.24228	25.5
385.23843	2.2
419.32919	2.2
429.31482	4.1
437.33972	3.8
447.32462	10.4
465.33765	10.2
483.34222	4.8
511.37720	2.1
521.35931	5.1
527.37830	2.1
529.38727	2.5
539.37366	89.7
540.37463	3.9
557.38470	43.3
570.60522	2.0
701.42737	8.2
719.28894	2.8
719.43011	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	719.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75566	0.7
52.98933	0.7
55.05503	1.4
58.06584	0.7
67.05507	1.8
69.07054	1.1
74.09727	1.2
79.05488	1.8
79.32099	0.6
81.07063	2.0
91.05461	1.7
92.70481	0.6
93.07038	1.5
95.04943	0.7
95.08606	1.2
97.06526	0.7
98.21515	2.3
105.07047	0.9
106.71040	0.7
107.08591	1.1
109.10090	0.7
119.08572	1.3
131.08627	0.8
133.10168	1.1
135.11736	0.7
198.84798	0.7
210.11493	1.2
223.12325	1.7
225.10289	0.9
225.13928	2.7
226.14680	0.9
237.13931	1.4
249.13908	0.8
251.08264	1.8
273.18707	0.6
275.15533	0.8
284.15036	0.7
314.13086	0.7
316.14130	0.7
378.28183	0.7
384.17032	0.7
394.71521	0.7
402.14816	0.8
403.15640	1.9
405.21085	0.8
416.17200	0.8
417.17245	2.5
418.17743	1.9
419.18326	0.9
431.18839	1.3
432.19482	2.3
433.20029	3.8
445.16595	1.1
447.22006	11.2
448.22925	1.4
459.21857	0.9
461.19595	1.0
475.21268	23.7
476.22122	4.2
483.87048	0.7
489.23322	1.3
503.20895	2.5
507.24188	0.9
515.20685	0.8
519.23932	1.0
535.23364	14.9
547.23541	1.9
561.24976	1.8
562.25958	3.7
563.26373	3.8
607.25757	1.2
607.43951	2.1
621.27234	2.7
622.27875	100.0
623.28131	4.4
719.48468	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11489	0.6
55.05515	0.9
57.24766	0.6
58.79263	0.6
65.03960	0.8
65.42662	0.6
67.05513	1.5
71.53872	0.8
79.05473	1.0
80.90471	0.6
81.07074	0.9
88.92653	0.6
91.05479	1.7
93.07056	1.2
95.08596	0.9
105.07043	1.4
119.08607	1.1
119.12329	0.7
193.45494	0.7
196.11270	0.8
197.10727	1.1
204.06662	1.0
207.09235	0.7
209.10744	1.1
210.09169	0.9
223.12291	1.6
225.10226	0.9
225.13881	4.1
226.14616	0.8
227.19957	0.7
235.12325	1.2
236.13116	0.7
237.13940	2.4
251.08192	2.5
265.13541	0.8
275.15491	1.3
295.14441	0.7
301.12592	0.7
327.14182	0.8
337.11874	1.1
352.14807	0.7
358.15674	0.8
389.17856	1.0
403.15305	1.2
404.15860	0.9
405.21289	0.8
412.16428	0.9
417.16992	3.4
418.17776	1.4
431.18970	2.1
432.19489	4.1
433.20288	5.2
445.16205	1.6
447.21967	10.7
448.22571	1.6
458.17950	0.8
459.22125	0.9
460.19101	0.8
461.19418	1.2
474.20517	1.1
475.21307	24.1
476.21912	5.1
479.25046	0.8
487.21313	1.8
489.23105	1.0
503.20123	3.1
507.24216	1.2
519.23920	1.5
521.25763	0.8
534.26385	0.9
535.23456	15.8
536.23706	1.1
547.23560	2.9
549.25110	2.1
561.25018	3.9
562.25653	3.6
563.26300	2.4
563.86200	0.8
590.25134	0.7
607.25635	1.4
621.27057	6.2
622.27881	100.0
623.28131	4.4
641.31769	0.8
701.33362	28.6
702.33722	1.0
719.44690	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83236	0.6
58.06607	0.6
59.06142	0.8
67.05499	1.1
69.07061	1.3
72.08161	2.8
75.51361	0.6
77.92693	0.5
79.05502	1.3
81.07063	1.7
81.90346	0.5
88.34246	0.5
89.06037	0.6
91.05495	2.1
93.07087	1.0
95.08624	1.2
97.06510	0.7
105.07051	1.2
117.07027	0.6
119.08614	0.9
129.06979	0.8
131.08607	0.7
147.11765	0.6
159.11705	0.8
161.59378	0.5
204.06636	0.7
209.10736	1.0
210.11607	0.7
212.13043	0.7
223.08688	0.6
223.12357	1.1
225.10310	0.9
225.13850	2.9
226.14676	1.0
227.20129	1.0
237.13922	1.8
238.14638	0.8
249.14017	1.2
251.08273	1.8
275.15231	0.7
275.20294	1.8
277.06238	0.7
315.14783	0.6
315.23468	0.7
316.14417	0.8
338.13034	0.6
343.83298	0.6
368.13849	0.6
389.17783	1.1
402.14761	0.9
403.15723	1.4
405.20938	1.2
417.17023	3.4
418.17874	1.6
419.18176	0.8
420.23047	0.9
429.17151	0.6
431.18863	2.0
432.19653	1.7
433.20218	4.4
445.15820	0.9
447.21906	8.4
448.22052	0.8
459.17474	0.7
460.18768	0.8
461.19919	1.1
462.19925	0.7
474.20404	1.2
475.21283	23.5
476.21918	5.8
477.23022	0.7
487.20932	0.9
489.22641	1.3
503.20300	3.1
519.24133	1.3
523.89728	0.7
535.23462	15.2
536.24390	0.7
547.23260	3.0
549.24829	1.6
561.25378	2.8
562.25891	6.1
563.26538	2.5
590.25104	2.1
607.25305	1.4
607.43420	3.4
621.27203	4.1
622.27869	100.0
623.28320	4.3
719.33997	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	719.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.1
57.03437	0.7
57.07081	2.0
57.70063	0.3
58.07418	0.3
67.05504	2.1
67.44800	0.2
67.49327	0.2
69.07069	0.7
69.43941	1.4
71.04983	0.3
71.08627	1.2
79.05498	2.2
81.07061	2.4
83.04976	0.5
83.08629	1.0
85.10171	0.6
89.65804	0.3
91.05492	1.5
93.07043	2.4
95.04952	0.3
95.08612	3.2
96.08978	0.3
97.02928	0.3
97.06538	0.4
97.10124	0.4
99.04487	0.3
105.07027	1.3
106.32928	0.3
107.04977	0.5
107.08604	1.6
109.10150	0.8
113.00010	0.4
117.06993	0.6
119.08609	0.9
120.08167	0.5
121.06550	0.4
121.10168	0.8
128.06259	0.3
129.07001	0.3
131.08524	0.4
131.21915	0.3
133.10124	0.5
135.11679	2.3
136.12006	0.5
144.08147	0.3
145.10155	1.5
146.10487	0.5
159.11823	0.4
163.11198	2.9
164.11568	1.1
169.10194	0.4
172.07564	0.3
175.50157	0.3
181.12253	0.4
196.09911	0.4
197.10747	0.7
204.06546	0.4
207.09238	0.4
208.10059	0.4
209.10796	0.8
210.11583	1.0
211.12308	0.6
212.13211	0.6
221.10782	0.7
222.11595	0.5
223.08720	0.5
223.12230	1.5
224.13129	0.8
225.10350	1.1
225.13820	3.6
226.14648	1.0
227.12730	2.6
228.13124	1.3
235.12369	0.8
236.13286	0.3
237.06648	0.4
237.10286	0.5
237.13905	1.7
238.14728	0.5
239.15434	0.6
249.13998	0.9
251.08195	2.2
251.11884	0.7
261.13959	0.4
265.13425	0.3
267.70050	0.4
273.13910	0.3
275.15515	0.6
276.16312	0.6
277.05981	0.4
283.15396	4.0
284.15683	2.4
288.11536	0.3
313.27371	3.7
314.12860	0.4
314.27725	3.5
316.11487	0.3
316.14731	0.7
326.12912	0.6
326.16562	0.4
328.14597	0.3
337.12210	0.5
352.14481	0.4
354.16132	0.4
368.14023	0.4
384.17102	0.5
389.18021	0.7
390.18918	0.4
398.14999	0.5
399.19452	0.6
402.15103	0.6
403.15610	1.0
403.19965	0.5
404.15945	0.4
405.20886	0.9
412.17084	0.4
416.16904	0.9
417.16986	4.3
418.17719	2.6
419.18710	1.2
419.23267	0.5
429.16956	0.4
430.18509	0.6
431.19012	2.6
432.19681	2.4
433.20090	5.1
434.20279	0.4
441.26004	0.3
442.16473	0.3
443.18283	0.7
444.19986	0.5
445.16632	1.7
446.21439	0.5
447.21890	10.7
448.22598	1.1
457.20642	0.4
458.17651	0.5
459.17300	0.6
459.22232	0.9
460.19144	1.2
461.18799	1.6
462.20621	0.7
473.20291	0.3
474.20688	1.2
475.21277	23.2
476.21954	4.9
477.23212	0.8
479.24408	0.4
487.21213	0.3
489.22733	1.2
493.22256	0.5
501.23056	0.4
503.20053	3.1
505.22385	0.7
507.23859	0.8
517.22821	0.4
519.24133	1.4
520.21344	0.4
521.26282	0.6
521.38214	2.1
522.38837	5.0
533.25360	0.4
534.26178	0.5
535.23383	17.0
536.23871	0.6
547.23187	2.6
549.24847	2.0
551.26373	0.6
561.25073	4.0
562.25818	4.1
563.26459	3.6
579.26068	1.0
590.25299	1.3
607.25482	1.2
607.43311	1.7
621.27142	8.1
622.27844	100.0
623.28168	4.8
701.33276	2.4
701.46460	0.5
719.34308	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	719.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53196	0.2
61.04132	0.3
67.05513	0.3
71.08519	0.3
74.44409	0.2
79.05516	0.3
82.06794	0.3
90.52706	0.3
91.05486	0.4
93.07077	0.3
94.06560	0.3
98.20781	0.5
118.06564	0.4
120.08099	0.4
129.07092	0.3
172.03967	0.4
173.10760	0.3
183.09254	0.4
185.10796	0.3
192.11981	0.2
195.09180	0.5
197.10814	0.4
199.08745	0.5
204.06606	0.7
209.10791	0.7
210.11595	0.9
211.08720	0.3
211.12358	0.8
212.13106	0.4
221.10875	0.7
222.11650	0.7
223.08746	0.8
223.12392	1.3
224.13051	0.8
225.10315	1.1
225.13849	3.4
225.15952	0.3
226.14574	1.3
235.08723	0.3
235.12311	0.7
236.13264	0.6
237.06682	0.3
237.13885	2.0
238.14626	0.5
239.15450	0.6
247.12157	0.3
249.13844	1.4
251.08240	2.3
251.10530	0.3
251.11447	0.2
261.13849	0.4
265.13385	0.6
270.13931	0.3
273.13773	0.3
275.15604	0.5
277.06042	0.4
284.15100	0.4
287.15494	0.3
296.11591	0.3
302.12921	0.5
309.08856	0.5
314.12924	0.7
316.14456	0.7
328.14444	0.4
340.14481	0.3
354.12241	0.3
368.13934	0.5
375.16168	0.4
389.17917	0.6
391.19727	0.3
399.19470	0.6
402.14996	0.6
403.14948	1.3
403.19836	0.6
404.15964	0.4
404.20575	0.4
404.43842	0.3
405.21063	0.5
412.16635	0.6
415.15271	0.3
416.17032	0.4
417.16858	3.2
418.17471	2.1
419.17935	0.6
419.22589	0.9
427.19104	0.4
429.17575	0.4
430.18808	0.5
431.18839	2.3
432.19736	2.5
433.20239	4.3
434.21136	0.4
444.19574	0.4
445.16501	1.5
446.16656	0.5
446.22150	0.5
447.12552	0.4
447.21933	9.9
448.22546	1.6
459.17722	0.3
459.22531	0.5
460.19193	0.9
461.18927	1.6
462.20499	0.5
473.20233	0.4
474.20078	1.5
475.21298	22.4
476.21921	5.0
477.23264	0.4
479.24963	0.6
487.21191	0.8
489.22778	1.0
493.22070	0.6
503.20203	3.6
507.23978	1.1
519.24182	1.7
521.24622	0.5
529.22388	0.4
533.21942	0.4
534.26581	0.6
535.23346	18.4
536.23853	0.9
547.23352	2.8
549.25055	2.3
561.24945	5.1
562.25720	3.9
563.26575	3.4
589.24658	0.4
590.25134	1.0
607.25531	1.4
621.27124	8.8
622.27838	100.0
623.28180	5.2
701.32526	0.3
719.33386	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20061	0.8
53.03950	1.0
54.34767	1.1
55.01889	2.1
55.05509	8.1
57.03436	9.2
57.07079	27.3
58.06601	1.4
61.02923	1.2
64.60141	1.1
64.91286	1.1
67.05178	1.3
67.05508	16.1
69.03416	1.1
69.07074	7.4
69.83173	4.8
71.04996	2.5
71.08285	1.6
71.08639	20.4
73.02914	2.3
73.12918	0.9
77.67829	0.9
79.05501	17.7
81.03439	1.1
81.06586	1.4
81.07059	21.6
83.04987	2.3
83.08628	12.8
83.52390	0.9
83.92848	1.0
85.02898	1.3
85.10186	9.3
86.10559	1.1
89.06032	3.5
91.05484	4.6
93.07050	24.4
95.04984	5.3
95.08611	41.7
97.02883	3.1
97.06519	2.0
97.10172	3.9
99.04462	2.1
99.11768	0.9
103.07613	1.6
105.07037	5.6
107.04981	6.4
107.08600	19.2
109.06548	1.2
109.10168	6.6
111.04446	1.1
111.11722	1.1
117.07005	6.1
119.08579	6.8
121.06520	5.3
121.10159	10.8
123.11713	3.2
125.06002	2.3
130.07799	1.1
133.10196	1.3
135.08067	1.9
135.11703	38.6
137.13222	1.8
139.07532	1.9
145.10141	20.9
153.12813	1.2
163.11189	50.0
181.12256	10.6
223.12419	1.1
225.13814	1.5
227.12787	58.8
237.13797	1.4
239.23741	1.0
251.08167	1.1
257.24701	2.0
283.15414	95.4
284.15683	2.3
313.27380	97.8
314.27646	2.0
390.17905	1.2
417.16681	1.3
432.19617	1.6
433.20154	2.3
447.21912	7.1
475.21396	11.3
476.22095	2.5
503.20721	3.1
521.38434	100.0
522.38788	4.8
535.23480	9.1
561.24731	1.3
562.25146	2.3
563.26569	2.2
590.24847	1.0
607.25647	1.2
621.26691	3.4
622.27850	54.9
672.70123	1.0
701.33392	2.6
718.44891	1.4
719.33636	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
54.60794	1.2
55.01869	7.7
55.05515	20.1
57.03437	15.1
57.07061	3.5
59.04996	4.3
61.02911	6.9
65.03939	3.6
67.05508	100.0
69.03450	8.9
69.07072	21.5
70.66136	1.6
70.66451	2.4
71.04984	5.3
73.02913	4.6
79.05061	2.4
79.05496	35.8
81.03416	11.6
81.07058	47.4
83.04975	12.0
83.08622	12.0
85.02895	8.2
85.06548	3.5
91.03937	2.7
91.05486	36.0
93.07045	39.2
95.04976	10.2
95.08611	27.9
97.02890	7.2
97.06551	9.4
97.10180	4.9
99.08080	2.3
103.05487	1.7
105.04546	1.7
105.07038	29.6
107.04949	6.3
107.08595	18.9
109.02871	2.5
109.06535	5.4
109.10158	60.1
111.04442	1.9
111.08084	6.2
113.09705	2.0
115.05428	2.1
117.07024	12.2
119.07755	1.0
119.08576	24.1
121.06541	3.0
121.10139	11.0
123.08078	3.6
123.11755	2.5
125.09636	5.1
127.03893	3.2
129.05492	4.9
129.07011	5.6
131.08589	12.8
133.06529	1.9
133.10149	16.9
135.08083	3.3
135.11630	7.1
137.09612	3.3
141.06946	1.7
142.45059	1.4
143.06999	2.1
143.08589	4.8
145.04939	2.2
145.10132	10.6
147.08006	1.9
147.11713	9.1
148.12221	1.5
149.09631	5.5
149.13249	6.6
155.08627	2.2
155.10680	4.1
157.10153	2.5
159.11656	9.1
161.09608	2.3
161.13272	5.6
163.11201	3.1
166.32124	1.3
169.10120	2.2
171.11729	4.6
173.11751	17.3
173.13286	3.8
175.14909	1.8
177.12778	1.9
179.14310	2.9
183.11673	2.4
189.11252	1.9
195.13918	2.4
203.14296	1.3
207.13834	5.6
220.57440	1.7
227.12762	4.8
229.14348	43.0
229.19444	1.7
233.43938	1.3
245.13745	1.9
257.18988	3.3
259.18024	1.4
259.20624	6.0
269.17487	8.3
273.18289	1.3
275.20093	14.4
281.17548	8.2
285.22046	1.6
289.21796	1.5
291.19678	2.1
293.17807	1.4
321.24426	1.4
331.22693	1.9
333.24371	3.8
349.23746	9.5
378.27774	2.5
383.29370	2.8
406.27231	11.0
423.27405	34.8
424.28180	2.2
435.27423	13.7
475.34311	6.7
503.33511	7.1
505.35272	3.8
583.80579	1.5
627.24463	3.2
669.25549	1.5
701.27802	2.2
718.45355	9.7
719.28369	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	718.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
55.01859	6.7
55.05513	19.5
57.03442	13.7
59.04995	3.5
61.02920	2.7
65.03923	4.9
67.05510	100.0
69.03423	7.8
69.07072	19.0
71.04977	7.1
71.08607	2.1
79.05492	34.5
80.05831	3.3
81.03436	14.1
81.07060	47.9
83.04978	9.9
83.08611	11.9
85.02892	5.4
85.06524	2.6
87.70717	2.0
91.03932	2.7
91.05486	38.1
92.05825	4.0
93.07053	34.3
95.04952	7.7
95.08173	1.8
95.08624	23.1
96.08953	1.9
97.02864	7.0
97.06522	8.5
97.10166	4.0
99.08063	2.8
105.07043	32.4
106.07367	3.3
107.04955	5.7
107.08595	18.5
109.06506	4.3
109.10161	61.6
111.08086	5.4
117.07002	12.9
119.08598	25.6
121.06473	4.1
121.10147	11.5
122.95026	2.0
123.08049	3.0
125.09639	2.6
127.03941	3.0
128.06245	2.1
129.05489	3.4
129.06993	6.8
131.08589	18.7
133.10124	18.6
134.10432	2.8
135.08040	2.9
135.11687	8.3
137.09601	5.8
143.08530	2.9
145.06508	2.6
145.10095	11.3
147.08002	2.3
147.11671	15.5
148.12042	2.6
149.09587	6.7
149.13231	5.6
155.08650	1.7
155.10652	2.8
157.10103	6.3
159.11708	7.8
161.13243	6.3
163.11194	4.7
169.10030	2.9
171.11679	6.1
173.04453	3.2
173.11736	18.7
173.13174	4.1
175.14758	2.4
177.12769	2.6
179.14323	3.6
180.67876	2.0
183.11708	2.6
195.13800	3.9
199.14874	3.1
207.13759	2.4
227.12816	4.0
229.14384	53.2
241.19487	3.9
257.19119	3.3
259.20529	13.5
269.17545	6.8
275.20026	16.5
276.20370	7.2
281.17615	3.4
333.24225	6.8
349.23694	8.1
373.44168	1.9
390.61307	1.8
397.02454	2.0
406.27277	2.5
423.27335	28.4
487.33829	4.3
503.33618	4.8
505.35080	8.1
555.36316	1.9
556.37012	7.4
557.95728	2.2
674.19452	2.3
700.40784	2.6
718.46222	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	718.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
55.01871	4.6
55.05268	1.4
55.05514	17.1
57.03445	10.4
57.07076	1.3
59.04989	3.8
61.02912	3.4
65.03925	2.8
67.05510	100.0
69.03434	5.1
69.07075	15.9
69.64041	6.3
71.04980	3.9
73.02912	2.3
76.25377	0.9
78.73239	0.9
79.05067	1.6
79.05499	24.5
81.03427	8.3
81.07063	38.6
83.04980	6.3
83.08630	13.7
85.02900	4.8
85.06540	4.7
91.03958	1.3
91.05484	24.9
93.07050	26.2
95.04978	6.5
95.08614	17.5
97.02885	3.1
97.06539	6.4
97.10162	6.5
99.08090	2.3
105.07041	15.6
107.04972	5.3
107.08602	20.5
109.02847	2.3
109.06541	3.6
109.10163	67.3
110.10532	1.0
111.04440	1.0
111.08105	4.9
117.07026	7.3
119.08585	17.6
121.06526	2.4
121.10155	7.0
123.08078	1.7
123.11689	1.3
124.93104	0.9
125.09639	8.1
127.03935	2.7
128.06241	1.0
129.05420	1.0
129.07030	3.6
131.08591	9.1
133.06506	1.6
133.10144	11.6
135.08049	1.9
135.11694	8.5
137.09627	5.3
143.08566	2.3
145.10138	8.5
147.11682	5.2
149.09616	6.1
149.13304	4.8
151.11201	1.4
155.08592	2.0
155.10701	5.5
157.10172	2.5
159.11705	7.4
160.58694	1.0
161.09703	1.1
161.13277	2.2
163.11206	5.0
169.10179	1.2
171.10323	1.4
171.11725	3.0
173.11792	17.0
173.13264	2.5
177.12723	2.7
179.14224	1.1
181.12202	1.3
183.11652	1.1
189.11247	3.8
195.13780	2.3
197.13326	1.3
211.13264	1.1
227.12810	14.9
229.14368	69.1
239.18097	2.1
247.20540	1.6
255.15939	4.4
257.19006	6.7
259.20624	1.2
269.17471	10.6
275.20078	22.3
293.21262	1.8
313.21429	1.1
325.20200	1.4
331.22708	1.9
349.23730	23.5
350.24557	1.0
367.24857	1.5
383.24277	2.3
399.23810	6.7
407.27982	2.2
409.25858	15.4
410.93243	1.0
423.27460	55.0
424.27576	1.1
463.30814	1.4
469.48660	1.0
503.33694	42.0
521.34766	8.7
543.28436	1.3
567.31879	2.2
597.97974	1.0
609.28760	1.0
746.76501	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	14.4
55.01878	22.9
55.05512	31.0
57.03441	9.8
59.50298	1.9
65.03932	5.8
67.05509	61.0
68.99770	2.6
69.03440	14.5
69.07074	33.8
69.24519	6.0
69.24938	15.3
71.04977	6.6
73.06567	2.8
73.32131	2.2
77.03945	3.6
79.05495	72.0
81.03417	40.0
81.07060	80.0
83.04982	18.1
83.08591	9.9
85.02899	12.1
85.06538	4.8
90.26597	2.2
91.05483	95.2
93.07047	60.4
95.01355	10.5
95.04978	23.8
95.08611	47.5
97.02883	9.0
97.06541	36.4
97.10174	4.6
98.21516	5.2
99.04447	5.0
99.08072	2.7
103.05476	3.6
104.81380	2.5
105.04517	3.5
105.07036	100.0
107.04957	29.2
107.08594	28.7
109.02892	6.0
109.06489	5.9
109.10187	12.5
111.04477	2.5
111.08082	4.3
115.05497	5.1
117.07021	31.6
119.08588	55.9
121.06512	6.8
121.10141	13.8
123.04401	4.5
123.08046	10.1
125.09647	3.9
127.03964	4.6
128.06212	5.6
129.07005	19.4
131.04878	4.6
131.08594	36.3
133.06493	7.8
133.10129	53.1
135.08041	4.7
135.11694	8.3
136.85420	2.3
137.09673	3.3
139.07584	2.0
141.07016	6.5
142.07811	2.3
143.08551	15.0
144.09398	2.3
145.06490	7.2
145.10123	24.9
147.08044	4.7
147.11693	24.0
149.05972	2.3
149.09641	10.3
149.13226	7.3
151.11195	3.0
155.08591	9.3
157.06461	3.1
157.10110	7.1
159.08073	3.6
159.11691	16.3
161.09668	3.2
161.13309	5.8
163.11240	5.7
165.09113	3.2
167.08498	4.6
169.10164	7.2
171.08060	5.3
171.11670	10.8
173.04411	7.5
173.09682	2.5
173.13258	6.8
175.11168	2.7
177.12775	8.1
179.08559	2.1
179.14345	18.5
181.10112	4.2
182.42656	2.8
183.08099	2.0
183.11696	5.9
185.13263	4.1
187.11195	7.4
189.12762	3.9
195.11641	2.2
197.13306	3.8
201.94638	2.5
206.48860	2.3
207.13855	5.6
209.13219	2.9
225.14775	2.8
229.19606	2.7
233.13321	2.7
247.20531	4.4
251.14403	3.3
257.18991	6.9
259.16977	5.1
259.20554	3.2
269.15396	7.6
275.20059	86.5
276.20285	2.8
279.15964	9.2
281.17447	13.9
287.16394	10.1
293.21045	7.1
333.16879	2.5
349.23740	33.3
361.20102	3.0
407.20609	4.6
423.18225	2.7
425.21692	15.3
432.15509	3.1
537.36041	5.2
555.28046	3.4
555.36853	57.7
556.37408	2.5
612.25427	3.3
631.37964	5.1
635.39746	6.5
681.24829	3.5
699.26385	8.5
699.40680	17.8
717.26740	6.1
717.43805	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	717.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06121	1.8
67.05505	3.2
69.83714	4.9
73.33781	1.4
79.05488	2.7
81.07063	2.9
91.05475	2.0
93.07111	1.6
95.08596	1.9
98.20715	1.7
105.07033	1.9
140.66995	1.4
203.50937	1.4
237.13831	2.7
251.84825	1.6
276.15421	1.6
293.21844	1.4
337.15564	2.9
365.17526	2.0
377.17990	2.2
380.20145	1.4
391.19348	1.8
395.18512	2.6
398.18738	1.8
407.22531	3.0
408.19458	3.0
409.20218	29.3
410.20941	2.5
421.20551	2.0
423.22101	12.3
424.22644	9.6
436.23035	2.0
437.19543	2.6
439.17667	2.0
443.22226	4.5
447.21774	1.6
451.21545	3.4
453.19589	6.2
454.20416	1.6
463.21442	3.3
468.21707	4.3
481.22507	2.1
493.18747	4.1
495.24396	6.7
496.24649	2.9
510.26147	1.8
511.27158	24.1
512.27289	1.9
521.25452	3.6
522.26434	1.8
523.23779	4.6
525.25574	1.9
537.25037	3.0
538.25690	3.2
539.26318	2.3
551.22791	4.1
553.27917	2.4
555.25983	23.5
556.26752	1.9
567.22644	5.3
581.27771	7.0
582.25134	5.2
583.25726	5.0
593.23712	2.0
598.27869	16.4
613.28607	2.0
625.26477	8.6
642.27423	3.7
643.27753	7.1
653.25787	14.1
657.29242	3.4
667.27411	3.5
685.28711	84.5
686.28766	3.4
699.30292	19.4
700.30634	1.5
717.31348	100.0
717.42908	5.5
718.31555	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	716.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90101	1.9
53.03941	4.2
55.01868	2.5
55.05504	9.0
57.03428	5.3
57.07080	18.8
66.99233	1.9
67.05508	25.5
69.07082	10.0
71.08631	15.6
71.54025	2.8
72.08115	5.4
79.05499	27.6
81.03423	2.7
81.07063	25.5
83.04961	4.6
83.08607	7.8
85.10188	8.7
89.06014	3.8
91.05487	22.9
93.07052	26.7
95.04977	8.6
95.08620	19.2
97.10155	5.1
105.07047	16.1
107.05013	2.8
107.08615	10.4
109.06544	2.1
109.10162	6.4
111.08125	3.0
117.07009	3.4
119.08604	10.3
121.10171	3.6
123.08073	2.8
123.11685	2.7
129.06960	6.5
131.08577	2.2
133.10107	5.8
135.08051	1.9
143.08554	3.3
145.10083	5.8
147.11697	17.6
152.08611	2.2
153.01451	1.8
161.09595	2.2
161.13298	2.8
171.11754	11.2
189.12828	3.2
194.93584	1.8
198.38809	1.8
207.13750	15.5
281.17502	49.9
294.31641	2.0
304.26550	2.1
308.03094	2.4
313.27368	44.3
519.40497	100.0
520.41083	4.5
526.28613	2.0
604.46185	4.3
700.98077	2.2
716.50665	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	716.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01871	4.6
55.05514	15.8
57.03440	7.5
57.07065	0.7
59.05004	2.7
61.02929	2.3
65.03944	1.7
67.05508	70.3
69.03436	6.6
69.07072	17.1
70.65095	1.4
70.65427	0.8
71.05003	3.4
73.02914	0.7
79.05062	1.1
79.05496	14.9
81.03412	3.4
81.07060	20.2
82.43100	0.5
83.04992	3.3
83.08622	10.2
85.02907	2.9
85.06530	2.5
91.03966	0.8
91.05485	15.6
92.75813	0.6
93.07047	12.0
95.04986	4.7
95.08620	8.2
97.02896	6.4
97.06537	1.6
97.10177	8.6
105.04578	0.7
105.07031	8.2
107.04955	3.9
107.08602	10.8
109.02923	0.8
109.06532	2.3
109.10160	58.5
110.10508	0.7
111.08065	3.0
115.05461	0.9
117.07031	4.2
119.04923	0.7
119.08585	12.2
121.06516	2.1
121.10180	4.1
123.08091	1.9
123.11726	0.6
125.09638	5.9
127.03901	0.9
128.06158	0.8
129.07028	2.1
130.07765	0.6
131.08574	5.0
133.06512	1.9
133.10150	5.0
134.07277	0.9
135.08080	2.2
135.11664	1.3
137.09581	3.3
143.08592	2.3
145.10162	4.2
147.08064	3.6
147.11725	1.8
149.09641	1.8
149.13269	1.4
151.11194	1.4
153.09122	0.8
155.10649	4.1
157.10124	2.0
159.11700	2.4
161.09644	2.1
161.13254	0.9
165.09097	1.1
169.12225	0.7
171.11652	1.4
173.09636	0.8
173.10124	0.9
173.11752	14.0
173.13191	1.0
175.11159	0.7
177.12819	1.3
187.11185	0.6
189.11195	1.9
189.12715	0.6
193.12239	0.9
211.13335	0.9
223.13303	12.1
227.12804	4.3
229.14360	62.4
230.14749	0.8
245.19006	1.5
249.14853	1.9
253.14326	3.5
255.17572	0.7
267.15875	1.0
273.18494	11.2
291.19550	72.2
292.20016	1.6
309.20490	0.8
347.22186	1.9
358.31210	0.6
365.23248	37.5
366.23608	1.8
399.23972	0.7
421.26080	1.3
425.25311	0.9
437.24976	0.8
439.26828	3.6
451.26669	0.8
473.07751	0.6
501.32263	2.4
519.33215	100.0
520.33655	4.0
537.34412	1.0
583.30768	0.8
716.44293	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01861	0.5
61.02924	0.5
67.85321	0.4
69.03417	1.5
70.65335	0.4
70.65656	0.8
70.69050	0.3
75.04475	0.4
76.40261	0.4
79.05505	0.8
81.03413	1.5
82.10618	0.3
83.89730	0.3
85.02906	2.4
87.00826	1.0
89.06024	0.3
91.05479	1.8
93.07036	0.6
95.04968	1.0
97.02887	1.2
99.04469	0.5
103.05454	0.4
105.01876	0.6
105.05492	0.8
105.07036	0.7
106.04173	0.4
107.04965	1.2
107.91742	0.4
108.05753	0.7
109.02882	1.2
109.06493	0.7
111.04436	1.3
115.05459	0.4
117.06982	0.7
119.04926	0.4
120.05692	0.5
121.06510	1.4
123.04427	1.1
123.08079	0.7
127.03902	1.4
129.06943	0.4
133.06485	1.4
135.08047	0.7
136.05238	1.8
137.05980	3.7
138.06790	1.9
145.02832	0.6
145.06512	1.0
146.07268	0.4
147.04399	1.1
147.08051	1.0
148.05203	10.1
150.06755	0.9
151.03905	1.1
151.07555	4.4
158.07262	0.4
159.08060	0.9
161.06007	2.5
161.09602	0.5
163.07535	1.3
165.05519	1.1
165.09180	2.1
166.06264	9.6
167.07037	2.8
168.07822	0.5
173.06012	0.7
173.09657	0.8
175.07539	1.6
176.08331	3.0
177.05458	1.1
177.09099	4.1
179.07053	0.9
179.10600	0.5
180.07866	2.4
181.08603	100.0
182.09169	1.7
187.07500	0.7
188.08363	1.0
189.09047	1.8
190.09875	2.1
191.07068	1.2
191.10672	2.0
192.07767	0.8
193.08609	4.9
194.09406	0.5
195.10159	6.8
200.08421	0.5
201.09064	1.8
202.09926	2.8
203.06973	0.9
203.10532	0.7
204.07741	0.5
204.11220	0.4
205.08592	1.4
206.09409	1.9
207.10158	7.9
208.10979	0.5
209.11755	1.2
216.11472	3.1
217.08560	1.2
218.09404	1.3
219.10132	2.7
221.11746	1.9
225.11232	1.1
231.10167	0.9
232.10931	1.3
232.87840	0.4
233.08157	0.4
233.11699	5.3
245.11813	0.5
247.13197	3.1
249.11198	0.4
251.12857	4.2
263.12851	1.7
265.14359	1.6
291.12387	0.7
341.17633	0.5
369.16803	0.7
378.15668	0.4
383.18777	2.3
384.19312	2.3
385.16074	0.5
400.18842	3.8
401.19418	1.4
413.20062	0.4
415.21155	21.0
416.21341	0.5
425.19690	0.7
433.22244	42.0
434.22693	0.8
443.20752	0.9
451.23312	2.7
512.85968	0.4
541.24487	0.5
559.25256	0.7
735.50128	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70437	0.9
53.03942	2.9
55.01880	6.2
55.05516	27.0
57.03440	14.1
57.07080	22.5
65.03934	3.0
67.05230	4.2
67.05508	48.2
68.05843	1.1
68.83640	0.8
69.03423	1.9
69.07072	29.3
70.80778	1.7
71.04990	3.0
71.08636	13.5
79.05498	27.9
79.37753	0.8
81.03409	3.6
81.06583	2.0
81.07065	39.3
83.04984	3.9
83.08622	19.7
85.06545	9.2
85.10183	7.3
91.05488	23.7
93.07051	26.1
94.07366	1.2
95.04976	36.2
95.08618	26.2
95.55074	0.8
97.06529	6.7
97.10181	13.3
99.08102	1.1
103.05485	1.2
105.07036	17.2
105.07707	1.8
107.04951	7.9
107.08605	18.5
109.06521	34.0
109.10164	10.3
111.08089	3.2
111.11716	2.4
113.00034	13.8
113.06009	21.7
115.05474	1.1
117.07030	8.6
117.93586	1.1
119.08592	10.7
121.06503	3.4
121.10151	9.3
121.41464	0.8
123.08053	3.6
123.11730	4.0
125.09661	1.7
128.06235	2.1
129.07024	4.1
131.08578	11.9
133.06554	1.7
133.10132	9.1
135.08064	21.9
135.11681	7.9
137.09595	2.7
141.07028	1.5
143.08582	6.2
145.06520	1.3
145.10132	7.6
147.08058	4.1
147.11679	5.1
149.09616	3.9
149.13235	3.2
151.11189	2.1
155.08414	1.6
157.10135	4.3
159.08098	1.4
159.11682	5.6
161.09641	5.3
161.13303	1.6
163.11197	2.2
169.02625	8.1
169.10110	1.6
171.11702	2.8
173.09688	1.8
173.13278	2.4
175.11223	2.6
177.12746	3.0
179.14285	1.1
185.13203	1.1
187.11208	1.1
187.14929	1.2
195.13820	2.5
199.14844	2.1
201.12828	1.4
217.15878	6.5
223.13237	1.3
233.15498	1.1
237.22098	3.4
239.23845	1.4
241.91864	1.0
251.16348	1.6
255.17427	3.2
257.19055	1.9
273.18491	20.3
275.20102	5.7
291.19543	63.7
292.19934	2.5
293.21262	1.1
309.20609	2.8
311.25830	4.3
313.27377	4.4
329.21155	3.1
347.22189	4.5
349.23730	3.9
365.23065	3.0
467.37012	1.1
505.38907	53.6
506.39294	1.7
545.41852	5.3
585.36218	1.6
585.45154	28.3
602.45215	1.5
603.46149	100.0
604.46198	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	714.5512
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
53.03933	1.4
55.05515	5.5
56.05045	4.2
57.03428	0.3
57.07084	2.9
58.06597	0.7
60.04527	2.7
60.93177	0.4
61.02923	0.6
65.03935	0.4
66.02299	0.3
67.04247	0.4
67.05508	12.0
67.91219	0.3
68.05022	1.0
69.03417	0.8
69.07071	7.5
70.06605	2.0
71.08643	2.3
79.05067	0.6
79.05499	9.8
80.05018	2.9
81.03411	1.2
81.05788	1.9
81.07062	10.8
81.51182	0.4
82.06116	0.6
82.06580	7.5
83.08617	4.5
85.02911	2.7
85.10181	0.8
86.06069	0.6
90.26058	0.3
91.05484	8.6
92.78841	0.3
93.05789	0.5
93.07051	8.8
94.06573	17.2
95.04970	0.9
95.07348	8.2
95.08614	7.3
96.08144	5.0
96.54613	0.3
97.02894	0.7
97.10165	2.4
98.06061	0.5
98.21549	0.6
100.07637	0.5
105.04542	0.7
105.07031	6.0
106.06547	0.5
107.07347	0.4
107.08601	5.0
108.08120	3.0
109.10153	3.7
110.09700	0.4
111.08062	0.4
111.11680	0.9
117.07024	0.7
119.08588	6.1
121.08912	0.8
121.10146	5.1
122.09677	2.6
123.11685	1.4
124.11234	0.5
127.03920	0.5
133.10097	3.3
134.09645	0.5
135.10600	0.7
135.11668	3.7
136.11166	0.8
137.13255	0.7
145.92448	0.4
147.11687	1.4
148.97508	0.3
149.13277	0.8
151.14818	0.5
155.21161	0.3
161.13242	1.0
163.14758	0.3
211.01207	0.4
219.21094	0.7
233.22646	3.1
234.22318	0.7
245.22678	3.8
250.25320	7.8
254.24760	0.8
260.23581	0.6
262.25308	100.0
263.23380	0.6
263.25656	1.3
264.26877	0.4
272.25851	5.2
280.26355	7.2
281.81406	0.3
284.84341	0.3
304.14444	0.4
310.27155	0.6
312.25464	0.4
314.26999	0.5
338.30634	0.4
347.91473	0.4
439.98767	0.3
442.31799	0.6
504.47781	6.0
516.47784	33.9
517.48065	1.5
518.49347	5.5
534.48840	22.2
534.55908	0.3
535.49121	0.8
585.44379	0.5
603.46033	1.2
696.54016	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	713.1563
Annotation	Quercetin 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
53.03949	1.1
55.01874	1.2
57.03439	0.8
61.02928	0.8
67.98225	0.1
68.99799	0.9
69.03432	4.4
70.06577	0.1
71.04989	0.6
71.53405	0.1
72.08126	0.3
73.02561	0.1
73.02921	1.0
73.38731	0.1
81.03422	6.0
83.01332	0.1
85.02908	8.5
87.00835	3.7
91.03927	0.3
93.03405	0.2
95.04937	0.2
97.02309	0.2
97.02898	3.3
99.03844	0.1
99.04458	1.8
102.56640	0.1
105.01870	2.4
109.02885	5.5
111.00807	0.7
117.01841	0.8
119.04867	0.2
121.02895	0.7
123.00786	0.1
123.04385	0.2
127.03923	7.6
129.01851	0.6
132.99207	0.1
135.04402	0.2
137.01355	0.2
137.02341	2.5
141.49416	0.1
145.04958	2.4
147.02872	0.5
147.04346	0.3
149.02345	0.3
151.03908	0.1
153.00725	0.2
153.01836	2.4
159.02904	3.1
161.05931	0.2
163.03918	0.6
165.01860	1.5
166.02664	0.3
173.05960	0.2
177.03964	0.2
183.02878	0.7
183.04318	0.3
187.03975	0.2
195.02892	0.3
199.00922	0.1
201.05467	1.3
213.03903	0.1
219.06520	0.2
229.04970	3.1
231.05011	1.4
239.03519	0.2
247.06111	0.7
257.04446	2.1
274.04739	0.5
275.05682	0.2
285.03931	1.0
294.20367	0.1
303.04996	100.0
304.05341	1.9
327.05200	0.3
345.05899	0.8
369.06189	0.2
411.07166	0.2
465.10315	15.1
466.10681	0.3
490.57370	0.1
551.10419	0.4
713.26355	0.2
713.38330	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	714.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77752	0.3
53.03938	0.9
55.05272	0.4
55.05516	6.6
56.05046	4.1
57.07079	3.3
58.06579	0.4
60.04526	2.2
65.03934	0.6
67.05511	12.5
68.05019	1.0
69.03417	0.8
69.07074	8.4
70.06604	2.1
71.08643	1.7
79.05497	9.6
79.05958	0.5
80.05019	2.9
81.03420	0.7
81.05810	1.7
81.06586	0.6
81.07061	9.8
82.06126	0.6
82.06586	6.8
83.04968	0.7
83.08619	5.1
84.08119	0.5
85.02904	1.7
85.10179	0.9
91.05488	9.1
93.05773	0.5
93.06480	0.7
93.07050	10.7
94.06572	19.6
95.04971	1.0
95.07359	7.2
95.08609	8.3
95.16043	0.3
96.08129	5.4
97.02872	0.9
97.10162	3.4
100.07592	0.4
105.04505	0.5
105.07033	6.2
107.08596	4.9
108.08134	3.0
109.06524	0.3
109.10154	3.4
110.09676	0.5
111.08096	0.5
111.11714	0.7
113.00071	0.3
117.06969	0.5
119.08595	6.5
121.08866	0.5
121.10157	6.3
122.09657	1.6
123.11716	1.5
124.11262	0.5
125.13285	0.3
127.03854	0.3
131.08546	0.5
133.10135	3.4
134.09663	0.3
135.10440	1.2
135.11685	3.4
136.11226	0.7
137.09656	0.3
137.13289	0.5
147.11710	1.6
149.13300	0.9
151.14815	0.5
161.13239	0.9
163.14853	0.6
175.14844	0.4
188.54689	0.3
191.17912	0.4
193.19592	0.6
219.21088	0.8
233.22684	2.8
234.22173	0.6
237.22264	0.4
245.22639	4.7
250.25333	7.3
254.24741	1.4
260.23767	0.4
262.25305	100.0
263.23315	0.5
263.25674	1.8
272.25861	5.5
280.26352	7.2
282.27872	0.4
296.25748	0.3
310.27347	0.4
312.25192	0.5
314.26880	0.4
498.46307	0.4
504.47653	5.5
516.47784	33.6
517.47980	1.3
518.49396	5.2
534.48834	21.5
535.48627	0.7
543.03784	0.3
602.45709	0.3
603.46051	1.0
696.54016	7.5
697.53821	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.7
60.34351	0.1
61.02917	0.1
62.83053	0.1
64.73911	0.1
67.01863	0.2
68.99812	0.2
69.03413	0.4
69.27330	0.1
69.27734	0.5
71.04601	0.2
71.04997	3.2
73.02920	0.4
75.04491	0.2
81.03430	0.1
83.04969	0.3
85.02913	4.4
87.04459	0.1
91.05471	0.2
94.85445	0.1
97.02908	0.4
103.03973	0.1
109.02869	0.1
111.04436	0.2
112.94295	0.1
114.61152	0.1
115.03934	0.2
119.04954	1.0
121.02873	0.5
125.93786	0.1
127.03916	0.3
129.05496	0.9
132.20836	0.1
134.48122	0.1
136.07570	0.1
145.02808	0.5
145.04910	0.1
147.06519	0.2
153.01849	2.8
163.03853	0.3
171.02931	0.2
174.09065	0.1
187.04143	0.1
203.07104	0.1
225.05484	0.2
229.05016	0.2
243.06502	0.2
247.06026	0.1
271.06027	100.0
272.06348	2.0
272.09280	0.1
286.04547	0.2
301.07068	1.6
313.07254	0.1
381.09598	0.1
417.11581	0.1
433.11395	1.8
463.12546	0.1
484.20419	0.1
549.12311	0.3
565.15594	6.1
566.15485	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45937	1.2
53.03940	3.6
55.01862	5.9
55.05513	20.8
57.03439	15.2
57.07074	3.3
58.93998	1.3
60.18793	1.2
60.86633	1.2
61.02933	2.1
65.03934	3.2
67.05509	64.6
69.03440	1.9
69.07072	22.8
70.06596	1.9
71.01372	2.6
71.04993	5.5
71.08638	3.0
71.53641	1.8
77.03909	1.4
79.05497	53.6
80.05823	1.4
81.03408	5.5
81.07060	49.7
82.92474	1.4
83.04994	15.7
83.08624	10.4
85.02892	3.7
85.06541	3.0
91.05483	29.0
92.05779	1.4
93.07048	62.5
93.07635	3.1
95.04966	6.3
95.08611	34.2
97.02883	2.1
97.06519	11.6
97.10165	9.1
99.08086	2.8
105.07035	16.8
107.04948	2.9
107.08598	40.9
109.06498	3.8
109.10168	15.8
111.08084	4.6
115.05461	1.2
117.07027	6.4
119.08586	13.7
121.06469	2.1
121.10146	20.1
123.08089	1.9
123.11654	2.5
125.09600	3.6
129.07024	1.9
131.08578	9.3
133.10141	10.5
135.11700	41.0
136.12065	1.3
137.09572	2.5
137.13251	1.6
143.08588	2.0
145.10146	10.1
147.11713	6.3
149.09639	1.8
149.13251	5.8
151.11194	2.6
153.12712	4.2
157.10133	2.4
159.11693	4.7
161.13255	4.1
163.11194	6.2
163.14783	1.2
165.12820	1.7
171.11655	1.9
173.11810	1.7
173.13292	3.9
181.12218	10.2
185.13242	1.6
195.13799	1.8
197.13272	1.2
227.12677	3.5
229.14438	1.8
243.20872	2.1
253.14357	1.6
255.15929	64.4
259.20346	1.7
261.22095	8.3
267.15887	1.4
287.32941	1.4
293.21039	3.1
294.76059	1.4
335.25803	61.8
336.26196	2.5
351.25470	2.1
423.32278	1.9
470.40366	1.4
515.37335	100.0
516.37585	3.2
533.38318	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	711.213
Annotation	Biochanin A 7-O-[beta-D-apiofuranosyl-(1->5)-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside]
Peak:m/z	Relative Intensity
57.03437	0.8
59.05486	0.1
61.02935	0.3
61.03171	0.0
63.86746	0.0
67.01851	0.1
68.99798	0.1
69.03432	0.7
69.21861	0.5
71.01328	0.1
73.02921	1.7
81.03381	0.1
82.41793	0.1
83.04974	0.1
83.60670	0.0
85.02426	0.1
85.02906	0.8
87.04453	0.1
97.02903	1.1
109.02881	0.1
115.03930	0.8
127.03872	0.2
133.04967	0.1
133.06487	0.8
135.04405	0.2
136.44261	0.1
145.04955	0.3
147.04376	0.0
153.01804	0.9
159.04451	0.2
163.06107	0.1
171.02910	0.2
177.05498	0.1
211.06104	0.1
217.08644	0.1
229.07396	0.1
239.07182	0.1
242.05739	7.0
243.06233	0.2
247.58150	0.1
254.05698	0.1
257.08276	0.1
270.05234	8.4
271.05801	0.1
285.07568	100.0
286.04684	0.1
286.07925	1.9
297.07608	0.2
327.08517	0.3
351.08591	0.1
381.09741	0.2
399.10995	0.1
417.11710	0.2
447.06689	0.1
447.12836	1.4
522.20404	0.1
555.33301	0.1
579.17084	5.9
580.17279	0.2
711.21228	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	710.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.6
55.01879	14.5
55.05518	42.3
57.03445	14.3
57.07095	6.3
65.03947	3.3
67.05512	100.0
68.93349	2.7
69.03434	4.5
69.06732	5.2
69.07072	69.2
71.04990	7.2
71.08634	14.1
71.54340	4.3
75.69871	2.8
79.05500	72.7
81.03403	10.7
81.07066	81.6
83.05001	15.7
83.08635	23.5
85.06528	7.2
87.37284	2.8
91.05489	75.2
93.06496	3.7
93.07052	70.7
95.04971	24.7
95.08611	52.8
97.02882	3.7
97.06533	15.6
97.10183	14.7
99.08084	11.3
105.04550	4.1
105.06385	5.2
105.07032	60.9
107.04946	11.1
107.08607	40.3
109.06508	8.7
109.10174	35.8
111.08062	8.0
115.05476	5.5
117.07035	23.4
119.08595	40.9
121.06513	9.6
121.10165	21.5
123.08046	5.9
123.11712	4.2
125.09618	11.4
128.06247	4.6
129.05490	3.7
129.07004	13.2
131.08583	24.2
133.10118	38.5
135.08066	6.4
135.11696	18.2
137.09627	8.0
141.07008	3.4
143.08554	10.7
145.10138	22.5
147.08018	4.5
147.11743	15.8
149.09590	13.7
149.13269	9.2
151.11137	9.5
153.09016	4.8
155.08556	5.0
157.10139	8.9
159.11740	15.3
161.13271	8.9
163.11188	12.3
169.10109	5.5
171.11697	9.5
172.57381	2.8
173.11725	5.5
173.13187	4.5
175.11150	4.7
177.12669	5.4
179.14333	8.2
185.13225	5.4
189.11214	5.3
193.73625	2.9
195.11676	3.5
197.13245	3.3
199.13188	3.6
199.14876	4.3
223.13220	7.0
227.12785	8.7
229.14381	6.8
241.19449	3.5
255.27910	2.9
257.19189	4.2
259.20483	6.9
273.18414	5.4
275.20084	19.0
277.21683	5.0
291.19577	43.5
293.21008	32.5
325.23792	3.2
333.24493	3.5
335.25699	7.2
349.23767	16.1
351.25449	9.5
365.23163	6.7
463.30499	4.6
513.35815	11.8
543.36700	4.5
640.16199	3.1
641.43231	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.5
53.03947	8.6
55.01875	12.3
55.05517	37.2
57.03441	18.2
57.07077	2.8
65.03934	4.6
66.15525	1.7
67.05510	100.0
69.03432	6.3
69.07073	60.6
71.01375	3.3
71.04994	8.4
71.08616	2.6
71.53972	2.0
73.02913	1.8
73.09537	1.7
79.05497	75.9
80.05843	1.8
81.03422	12.2
81.07063	90.5
82.07410	2.5
83.04967	15.0
83.08628	19.7
85.02921	3.1
85.06557	6.9
91.04913	2.5
91.05485	70.6
93.07052	73.2
95.04977	17.4
95.08618	51.9
97.06542	19.2
97.10177	16.1
99.08103	5.1
105.04555	2.5
105.07039	52.9
107.04971	11.1
107.08607	38.7
109.06497	10.1
109.10165	26.8
111.08084	8.3
113.06012	2.2
113.09673	3.1
115.05502	4.3
117.07011	23.2
119.08588	41.2
121.06512	6.1
121.10157	24.6
122.10514	2.1
123.08108	11.3
123.11763	4.0
125.09637	10.5
128.06215	3.2
128.75912	1.9
129.05502	3.2
129.07011	10.2
131.08586	26.1
133.06483	3.8
133.10149	30.5
135.08121	9.4
135.11688	21.1
137.09618	12.0
139.11140	2.2
141.06973	3.8
142.07811	2.1
143.08557	8.5
145.10155	19.8
147.04451	4.3
147.08058	5.2
147.11708	16.0
149.09645	16.1
149.13251	7.8
151.11205	4.7
155.08537	3.1
157.09003	1.8
157.10144	11.6
157.23448	2.1
159.08078	2.7
159.11705	17.2
161.09659	2.5
161.13249	8.1
163.11227	9.7
169.10095	3.8
171.10350	2.1
171.11684	8.8
173.09691	2.7
173.11795	5.0
173.13298	6.4
175.11255	3.7
177.12782	4.8
179.14369	6.0
180.39983	2.0
181.10117	1.9
183.11685	5.1
185.13297	4.3
187.11267	3.3
189.11224	4.7
193.12270	2.6
195.13838	4.5
197.13293	4.3
200.43054	1.8
223.13235	2.8
227.12813	9.2
229.14388	6.0
229.19406	2.4
243.15894	2.5
255.15996	8.1
257.19037	7.3
259.20596	2.0
267.15894	3.3
269.17520	9.2
273.18607	2.3
275.20084	23.2
285.17007	2.3
291.19812	2.5
293.21173	4.0
331.22763	2.1
349.23697	21.5
367.24960	2.2
385.47375	2.5
423.27441	2.9
432.03601	2.0
527.37091	6.8
529.34595	3.9
530.39148	2.7
543.36615	8.2
546.42175	2.8
575.35895	2.1
623.43347	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	709.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.2
68.99800	0.2
69.03444	0.1
70.48898	0.2
71.05000	0.8
73.02917	0.1
79.71925	0.1
85.02908	1.0
85.19689	0.1
89.36556	0.1
97.02904	0.1
101.34696	0.1
108.08132	0.1
111.04414	0.1
112.05342	0.1
115.03912	0.1
126.39511	0.1
129.05478	0.1
133.06487	0.9
136.35262	0.1
137.02328	0.9
138.63229	0.1
155.03386	0.1
159.04413	0.6
162.09097	0.1
226.06238	8.7
241.08585	0.1
254.05756	9.4
255.06137	0.1
269.08084	100.0
270.08438	1.7
340.55569	0.1
563.17639	1.8
659.23322	0.1
709.23267	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01879	1.2
55.05514	8.8
57.03445	5.7
57.07075	1.3
61.02931	10.1
65.03947	0.9
67.05508	21.4
68.84068	0.7
69.03420	2.7
69.07069	6.1
70.96900	1.0
70.97253	0.9
71.04990	2.1
73.02918	4.1
75.04471	1.0
79.05500	24.1
81.03421	3.7
81.07061	25.5
83.04984	2.7
83.08627	4.8
85.02912	11.6
85.06543	1.9
86.09698	1.1
87.04505	0.8
91.03966	10.4
91.05488	23.9
93.07053	36.3
94.79366	0.8
95.04967	3.2
95.08610	16.1
95.56147	0.7
97.02918	7.0
97.06519	2.1
97.10152	1.8
99.04433	1.3
99.08102	2.1
105.07034	23.6
107.08596	20.5
109.02879	1.0
109.06499	1.1
109.10169	8.4
111.08088	2.2
113.09657	0.9
117.07012	7.3
119.08592	22.8
121.06505	0.8
121.10149	16.8
123.08042	1.3
123.11706	2.6
124.99983	0.9
127.03922	3.5
129.07022	4.1
131.08574	10.3
133.10150	20.1
135.08095	1.6
135.11702	17.0
136.08484	0.8
137.09634	2.2
142.07782	0.9
143.08548	5.4
145.04950	3.4
145.10156	9.4
147.11697	18.9
149.09657	1.8
149.13266	8.8
151.11211	1.2
157.10153	6.5
159.11711	8.9
161.13271	13.4
163.06058	5.5
163.11211	1.4
163.14824	3.4
165.12917	0.9
169.69423	0.9
171.11697	5.1
173.13272	6.0
175.11180	1.1
175.14841	6.6
177.12802	2.1
184.07375	3.3
185.13295	5.9
187.14803	2.4
189.12836	1.4
191.14333	1.2
199.14888	3.8
203.14323	1.0
213.16307	1.4
217.19638	1.8
225.88878	0.8
229.14203	1.2
231.17426	1.2
231.21083	2.7
241.19539	13.6
241.21758	1.3
259.20596	35.1
269.17529	2.9
277.21689	4.6
285.16922	1.1
301.16461	1.3
333.24265	6.6
351.25308	100.0
352.25735	1.5
355.15829	1.1
363.25232	2.1
367.22787	2.3
375.25299	2.3
387.25528	0.8
417.26382	1.3
423.27048	2.2
441.26678	4.5
459.27432	3.3
477.28366	4.2
495.29449	11.1
513.30304	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01871	2.0
55.05276	0.6
55.05519	6.3
57.03184	0.9
57.03442	8.8
57.07072	1.4
61.02920	0.7
65.03938	1.0
66.20524	0.5
67.05513	25.1
69.03419	1.6
69.07079	8.7
71.04996	3.0
73.02942	0.7
79.05502	17.0
79.05968	0.9
81.03427	39.1
81.07065	32.8
82.07361	0.6
83.04995	4.4
83.08625	14.6
85.02896	1.4
85.06548	2.0
91.05490	13.3
92.05822	0.6
93.07054	25.0
95.04976	12.0
95.08611	7.5
97.02900	2.0
97.06532	4.3
97.10169	2.1
99.08091	1.9
105.04541	0.5
105.07043	8.8
106.07358	0.7
107.04984	2.6
107.08609	14.2
109.06511	2.2
109.10188	3.1
111.04435	1.2
111.08079	5.9
115.05466	1.0
117.07037	3.4
119.08604	6.6
121.06530	1.7
121.10161	8.8
122.12179	0.5
123.08070	1.2
123.11715	2.6
125.09613	1.2
127.03843	0.7
128.06282	0.6
129.07010	4.1
131.08575	7.7
133.06488	1.9
133.10146	6.1
135.08072	1.4
135.11722	3.4
137.05968	0.7
137.09642	1.3
139.11191	1.0
142.07814	1.4
145.06573	0.6
145.10193	1.5
147.08041	1.2
147.11711	6.1
148.12009	0.8
149.09695	2.5
149.13281	12.9
149.80438	0.5
151.11226	0.7
155.40582	0.5
157.10144	4.4
159.11708	5.9
163.11215	0.9
165.12820	1.7
175.11214	4.6
177.12723	2.7
193.12242	10.7
193.13867	0.8
195.13838	4.0
211.13344	1.5
249.14929	0.7
267.15945	43.8
268.16263	2.5
269.17502	50.0
270.17938	1.0
285.17010	1.9
286.17297	1.4
287.17615	0.7
349.23834	1.8
417.26389	0.8
435.27563	4.8
443.28018	1.7
453.28735	1.2
461.29031	100.0
462.29214	3.1
479.30054	3.6
496.30334	0.8
497.30045	1.7
503.29965	1.8
511.32315	0.9
542.84259	0.6
557.31635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	12.7
55.01870	10.1
55.05514	35.2
57.03440	13.9
63.35871	3.3
65.03938	6.5
66.29834	3.7
66.60970	3.1
67.05508	97.8
69.03442	21.8
69.07065	35.4
69.89484	13.7
71.04988	11.1
79.05502	74.7
79.08762	3.6
81.03421	83.7
81.07063	100.0
83.04985	28.5
83.08632	28.2
85.02916	22.2
85.06553	6.2
91.05484	66.9
92.05830	5.5
93.07050	81.1
95.04980	27.0
95.08612	64.0
96.08964	3.6
97.02894	27.4
97.06525	9.3
97.10170	13.2
99.04479	3.6
105.07037	55.1
106.07376	4.5
107.04971	15.3
107.08598	43.7
109.02887	13.5
109.06537	11.4
109.10155	34.4
111.04459	15.4
111.08097	11.1
115.05466	8.0
117.07008	19.2
119.08576	39.1
121.06524	4.8
121.10166	30.0
123.08067	7.0
123.11700	9.6
125.09655	6.8
127.03915	12.2
129.05482	10.1
129.07039	16.5
131.08574	30.2
132.08884	5.3
133.06583	4.0
133.10173	22.8
134.10522	3.5
135.11684	19.0
139.05145	4.0
142.07692	4.0
143.08604	11.0
145.06512	3.5
145.10143	14.6
147.08072	7.6
147.11687	28.0
149.09689	11.4
149.13315	8.1
155.08571	6.5
157.10104	18.4
159.11700	14.6
161.13327	7.9
163.11246	11.7
165.12790	8.8
171.11700	5.6
173.09685	5.2
173.13229	4.4
175.11229	13.0
181.12386	4.2
191.10674	4.3
193.12280	37.9
195.11780	4.5
195.13857	5.4
211.13309	52.7
227.12762	8.7
229.14261	5.2
261.22208	11.0
267.15942	15.2
273.18457	4.9
283.15308	4.7
285.16922	17.4
287.05609	4.6
289.21576	3.7
335.25845	65.4
337.27289	4.0
351.23306	5.1
365.64563	3.7
369.24417	6.1
411.20071	5.1
429.21011	17.0
466.52930	3.7
527.37286	18.6
545.38324	87.3
595.35583	8.5
653.40619	5.5
671.41364	7.2
689.42267	28.7
707.42334	16.0
739.75623	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	707.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	12.7
55.01870	10.1
55.05514	35.2
57.03440	13.9
63.35871	3.3
65.03938	6.5
66.29834	3.7
66.60970	3.1
67.05508	97.8
69.03442	21.8
69.07065	35.4
69.89484	13.7
71.04988	11.1
79.05502	74.7
79.08762	3.6
81.03421	83.7
81.07063	100.0
83.04985	28.5
83.08632	28.2
85.02916	22.2
85.06553	6.2
91.05484	66.9
92.05830	5.5
93.07050	81.1
95.04980	27.0
95.08612	64.0
96.08964	3.6
97.02894	27.4
97.06525	9.3
97.10170	13.2
99.04479	3.6
105.07037	55.1
106.07376	4.5
107.04971	15.3
107.08598	43.7
109.02887	13.5
109.06537	11.4
109.10155	34.4
111.04459	15.4
111.08097	11.1
115.05466	8.0
117.07008	19.2
119.08576	39.1
121.06524	4.8
121.10166	30.0
123.08067	7.0
123.11700	9.6
125.09655	6.8
127.03915	12.2
129.05482	10.1
129.07039	16.5
131.08574	30.2
132.08884	5.3
133.06583	4.0
133.10173	22.8
134.10522	3.5
135.11684	19.0
139.05145	4.0
142.07692	4.0
143.08604	11.0
145.06512	3.5
145.10143	14.6
147.08072	7.6
147.11687	28.0
149.09689	11.4
149.13315	8.1
155.08571	6.5
157.10104	18.4
159.11700	14.6
161.13327	7.9
163.11246	11.7
165.12790	8.8
171.11700	5.6
173.09685	5.2
173.13229	4.4
175.11229	13.0
181.12386	4.2
191.10674	4.3
193.12280	37.9
195.11780	4.5
195.13857	5.4
211.13309	52.7
227.12762	8.7
229.14261	5.2
261.22208	11.0
267.15942	15.2
273.18457	4.9
283.15308	4.7
285.16922	17.4
287.05609	4.6
289.21576	3.7
335.25845	65.4
337.27289	4.0
351.23306	5.1
365.64563	3.7
369.24417	6.1
411.20071	5.1
429.21011	17.0
466.52930	3.7
527.37286	18.6
545.38324	87.3
595.35583	8.5
653.40619	5.5
671.41364	7.2
689.42267	28.7
707.42334	16.0
739.75623	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	705.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.0
55.05516	15.5
57.03437	2.4
57.07082	4.6
65.03936	4.2
67.05508	40.1
69.07079	13.8
69.26491	19.8
71.04961	2.3
71.08653	2.2
74.09719	4.7
79.05496	28.6
81.07066	38.7
83.08614	7.1
85.06519	2.3
91.05483	32.7
93.07052	31.0
95.04980	4.1
95.08615	30.4
97.06551	3.4
97.10137	3.0
100.15303	2.1
105.07047	30.0
107.08585	17.3
109.10160	11.5
113.00037	31.1
117.07012	12.7
119.08588	25.6
121.10188	16.0
123.11727	2.5
129.07021	8.6
131.08582	22.9
133.10136	17.7
135.11719	11.6
141.07047	3.2
142.57254	2.2
143.08574	5.0
145.10133	17.7
147.11694	17.3
149.13277	5.7
153.64166	2.2
155.08565	4.6
157.10150	9.1
159.11693	13.5
161.13284	13.5
163.14972	2.2
169.02631	8.8
169.10048	3.7
171.11732	8.9
173.13268	8.8
175.14893	10.7
183.11760	4.3
185.13263	8.4
187.03586	3.0
187.14842	3.4
199.14850	5.5
209.13315	3.0
213.16437	3.2
214.07689	2.3
215.17958	3.3
217.19588	2.6
231.21095	4.2
239.17966	5.9
241.19501	20.9
243.21294	2.8
245.47325	2.1
257.19159	5.9
259.20560	22.0
275.45416	2.3
313.21841	5.3
315.23203	14.0
331.26361	2.7
333.24246	4.4
335.25790	23.2
386.02603	2.0
453.06979	2.4
519.42303	3.6
576.50647	3.4
593.45642	100.0
705.44586	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	706.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18114	0.4
53.00323	0.4
53.03941	0.5
53.33050	0.5
54.03470	1.0
55.01872	0.6
55.04265	0.5
55.26704	0.4
56.07562	0.4
56.96563	1.7
57.03444	0.6
57.35093	0.4
65.03934	0.6
68.99799	1.2
69.03437	1.7
70.06596	100.0
71.06921	0.7
73.02924	0.6
81.03444	1.5
81.07050	0.5
84.96039	0.4
85.02899	3.4
91.05502	1.6
93.03456	0.5
95.04974	0.7
97.02920	1.5
98.97585	8.0
99.04507	0.6
103.05502	0.5
107.04964	0.7
109.02900	0.8
109.06561	0.6
110.97595	1.0
111.04457	0.7
112.99145	0.6
116.98627	2.2
119.04949	3.0
123.04435	5.0
126.50954	0.5
127.03947	2.8
128.98596	1.1
131.00208	0.7
134.99672	0.6
135.04451	0.8
137.05978	6.3
139.03918	11.4
143.00182	0.8
145.02898	0.5
145.04976	0.9
147.04404	6.0
147.05496	0.5
149.06038	0.6
151.03915	14.7
153.05501	0.8
155.03423	0.6
158.99709	2.5
161.06023	1.1
163.03960	2.0
165.05481	13.5
165.06886	0.9
165.14766	0.4
167.07129	1.2
170.99709	0.7
175.03970	1.7
177.00681	2.1
177.05496	4.1
179.03406	19.7
181.06564	0.5
182.03378	0.5
184.05046	0.4
186.26619	0.5
187.03995	1.0
189.00717	0.5
189.05515	1.0
191.05717	0.5
196.66704	0.5
200.04602	0.5
201.00711	1.0
201.05580	1.1
203.03490	1.1
207.05295	0.5
208.04922	0.6
213.05634	0.7
216.06691	0.4
217.05173	1.4
219.01761	3.9
227.07091	1.4
229.04974	2.5
235.02805	0.8
237.02925	3.6
237.05301	0.8
239.02432	0.5
239.07141	1.2
243.06641	0.7
245.04781	0.5
251.07129	0.8
253.04124	0.7
255.06468	0.8
257.08099	1.2
261.03021	0.8
267.06567	1.0
269.08078	0.9
271.06039	4.3
279.03867	0.7
279.06656	1.9
280.07147	0.8
283.05939	3.4
285.07526	0.6
289.07352	0.7
295.06064	1.6
297.07764	1.6
299.05518	0.9
301.07028	4.2
307.06128	0.7
313.07004	4.3
315.08826	0.6
317.06702	2.0
325.07083	9.3
331.08127	0.8
343.08072	3.8
355.60550	0.5
362.09805	0.9
362.60269	0.5
363.10129	0.8
364.10321	0.8
364.61517	0.5
378.10831	1.0
379.10886	0.8
379.60825	1.1
381.10901	0.8
382.11255	0.8
387.11295	0.9
396.12143	0.5
400.13986	7.8
415.09314	1.0
443.10056	0.9
451.10168	0.8
453.66260	0.4
463.10455	1.8
469.11624	0.8
481.11179	3.2
486.28195	0.4
637.15564	1.2
649.15466	5.3
706.21338	34.0
707.21680	1.7
717.21106	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.8
55.01876	16.2
55.05519	34.5
57.03448	17.2
57.07078	4.4
61.02925	3.7
65.03945	6.9
67.05510	84.9
68.99789	2.6
69.03438	29.6
69.07072	37.9
69.20703	10.6
69.21127	8.6
71.01355	2.0
71.05003	13.0
79.05500	66.6
81.03426	56.4
81.07065	100.0
83.04998	22.1
83.08624	22.3
85.02924	12.2
85.06546	4.9
87.46965	1.8
91.04914	2.3
91.05487	60.8
93.07050	75.5
95.01369	3.0
95.04972	16.2
95.08617	49.2
97.02903	21.0
97.06539	25.4
97.10166	5.6
99.04487	9.9
99.08105	2.5
103.05486	2.7
105.07040	58.4
107.04955	15.8
107.08598	44.5
109.02905	14.3
109.06537	10.7
109.10162	17.1
111.04453	8.2
111.08086	8.0
115.05456	4.2
117.07024	25.5
119.08588	40.2
121.06499	7.3
121.10149	29.8
123.08068	7.2
123.11703	5.6
125.09637	6.5
127.03930	14.0
128.06221	3.3
129.05547	5.9
129.07051	11.3
131.08580	33.6
133.06500	6.8
133.09221	3.7
133.10143	29.0
135.08075	9.2
135.11674	17.0
137.09631	6.0
139.11215	3.5
141.07014	6.6
142.07773	3.3
143.08588	17.3
145.06479	5.7
145.10133	25.1
147.08115	5.4
147.11707	23.4
149.09644	18.2
149.13261	16.2
151.11217	5.3
155.08568	10.1
157.10152	14.3
159.08051	5.5
159.11697	20.3
161.09615	4.7
161.13286	7.3
163.11218	9.8
165.07018	2.4
165.09109	2.2
165.12790	4.0
167.08524	2.7
169.10136	9.0
171.08072	3.1
171.11668	8.5
173.04468	16.7
173.09683	4.6
173.13307	10.6
175.11143	3.0
177.12796	7.5
179.14337	3.3
181.10114	4.7
182.48444	2.5
183.11778	10.8
185.09579	3.4
185.13245	6.9
187.11195	3.3
187.14813	2.7
191.10709	2.4
195.11884	4.5
195.13818	10.7
197.13344	5.0
199.06036	3.7
199.11063	2.2
199.14813	3.6
201.12720	4.4
207.11656	3.0
209.13359	3.5
211.14787	4.8
213.14769	2.9
213.16612	2.3
215.14310	2.2
227.12794	3.0
229.14261	3.9
229.19550	2.9
239.17824	4.9
247.20543	4.8
257.19077	12.2
267.15912	8.1
269.17429	26.7
273.18628	2.6
275.20084	51.2
277.21683	3.0
291.19720	3.0
293.21243	7.1
299.58777	1.9
321.16730	2.4
339.23245	3.6
349.23737	24.1
361.23740	2.5
383.22177	3.0
395.20563	3.8
413.21826	11.4
431.28061	4.4
433.31088	3.0
451.32278	4.1
463.30515	8.9
469.33185	5.7
493.28717	2.5
507.34119	2.4
515.37366	7.4
525.35699	24.7
543.36847	74.5
561.38043	4.1
585.37561	2.5
607.34485	5.7
641.41022	3.0
669.39746	7.1
687.29803	2.7
687.40967	28.4
705.31000	5.6
705.42010	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	705.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.7
55.01871	17.7
55.05510	35.4
57.03442	11.3
57.94617	2.2
61.02917	5.2
65.03937	6.0
67.05508	85.3
68.45759	2.6
69.03432	30.7
69.06725	3.0
69.07071	37.7
70.24931	2.4
70.99818	2.3
71.04983	13.9
73.02932	3.2
78.16444	2.3
79.05067	5.1
79.05494	61.8
81.03424	59.6
81.03864	1.5
81.06587	5.0
81.07061	100.0
82.36135	2.6
83.04985	16.0
83.08615	22.0
85.02903	19.4
85.06522	4.7
91.03984	2.5
91.05486	63.5
93.06480	4.1
93.07050	65.7
95.04978	16.0
95.08030	1.7
95.08612	49.0
95.09228	2.2
97.02888	18.8
97.06532	24.7
97.10154	5.4
99.04453	9.1
99.08069	4.0
103.05447	5.0
105.07037	53.6
107.04948	10.5
107.08604	45.2
109.02869	12.4
109.06513	7.9
109.10153	21.3
111.04436	6.3
111.08092	10.2
113.05964	2.7
115.05450	3.3
117.07018	28.5
119.08592	40.4
121.06487	7.1
121.10152	28.1
123.08057	8.2
123.11694	9.6
125.09644	4.0
127.03921	15.3
128.06181	4.7
129.05513	6.5
129.07002	16.3
131.08578	35.3
133.06525	4.9
133.10135	33.0
135.08092	7.9
135.11725	14.6
137.09624	6.4
141.06979	8.9
143.08588	13.6
145.06516	6.4
145.10144	28.2
147.08087	4.4
147.11693	20.4
149.09612	15.9
149.13264	20.7
151.11270	3.6
155.08534	10.1
157.10181	16.3
159.08069	6.2
159.11707	23.1
161.09612	5.0
161.13188	8.3
163.11191	9.5
167.08618	3.3
169.10138	13.0
171.11705	12.4
173.04480	23.6
173.13245	9.5
175.11209	2.7
175.14856	4.0
177.12753	10.0
181.10101	5.0
183.11662	8.5
184.07327	3.6
185.09660	3.1
185.13281	5.7
187.11235	3.4
187.14749	3.3
189.11171	3.1
191.10629	2.4
195.11697	6.4
195.13802	9.1
197.13306	5.6
199.05969	2.9
199.14899	5.5
209.13319	4.9
211.14832	3.8
213.12852	2.7
213.14865	2.7
216.72523	2.8
227.12746	3.0
239.18050	3.2
257.19052	6.1
259.20581	3.4
267.15988	9.3
269.17410	28.9
273.18442	3.2
275.20071	39.0
278.65427	2.6
285.22162	2.3
293.21249	5.3
331.22589	5.4
339.17722	4.6
339.23395	3.2
349.23694	21.5
395.20822	4.2
413.21805	11.5
426.23004	2.9
431.28006	4.5
433.30862	6.2
445.29474	4.5
451.31979	6.4
463.30560	15.6
469.33386	4.0
499.33942	3.5
515.37073	9.6
525.35730	37.2
543.36865	84.7
557.25671	2.7
561.37872	4.9
589.33319	3.2
593.97693	2.8
607.34204	5.8
608.26801	15.7
651.39105	4.3
669.39600	5.7
687.29645	8.7
687.40686	29.0
705.30566	19.5
705.41931	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	705.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.1
53.03952	12.2
55.01882	16.5
55.05515	29.4
57.03437	13.8
57.07076	3.2
61.02916	3.4
65.03938	5.6
66.20098	1.7
67.05508	82.9
69.03435	22.9
69.07069	37.4
71.04994	11.9
71.08611	1.8
73.02921	2.8
79.05497	59.5
81.03425	49.4
81.07060	100.0
83.04988	19.8
83.08632	13.9
85.02895	12.6
85.06534	4.0
87.04434	1.6
89.06036	2.3
91.05488	65.5
93.06479	3.5
93.07048	66.9
95.01326	2.5
95.04970	18.2
95.08609	45.6
97.02899	15.7
97.06536	32.6
97.10162	6.0
99.04431	6.6
99.08077	4.3
103.05496	2.3
105.04490	2.0
105.07039	61.3
107.04964	17.7
107.08606	40.8
109.02898	12.7
109.06544	9.9
109.10163	17.5
111.04478	8.0
111.08076	6.3
115.05476	3.0
117.07021	25.0
119.04874	2.1
119.08588	42.2
121.06491	7.7
121.10145	22.5
122.16241	1.6
123.04423	2.8
123.08057	5.1
123.11696	8.5
125.09633	5.7
127.03918	10.3
128.06209	3.9
129.05469	3.6
129.06999	12.8
130.07848	2.0
131.04950	2.4
131.08582	29.8
133.06508	5.4
133.10138	41.3
135.08073	5.8
135.11700	13.3
137.09599	3.1
139.11159	1.6
141.06960	5.2
143.08559	12.1
145.06464	5.1
145.10135	21.7
145.14497	1.5
147.08093	3.9
147.11717	19.6
149.08612	2.1
149.09637	11.6
149.13275	16.7
151.11169	3.0
155.08588	7.7
157.06470	1.8
157.10124	10.9
159.08043	2.9
159.11697	21.4
161.09569	4.4
161.13274	6.2
163.11221	5.8
165.06999	1.8
165.12741	4.3
167.08553	3.3
169.10127	6.1
171.11717	9.6
173.04485	13.1
173.09605	2.1
173.13264	8.1
175.11174	3.9
177.12785	8.4
179.14302	5.4
181.10132	3.5
183.11705	7.4
185.09592	1.8
185.13251	5.3
187.11238	3.5
187.14832	3.9
189.12723	2.0
191.10553	1.9
193.10168	2.1
195.11661	4.6
195.13815	9.2
197.13229	6.6
199.11232	2.3
199.14862	3.1
205.12273	1.8
209.13339	2.3
211.14951	2.2
213.12778	1.9
219.13872	2.2
219.17345	2.0
229.12323	1.7
229.14272	2.9
233.15117	1.9
239.18008	2.8
247.20496	3.7
257.19025	9.3
259.20639	2.7
267.15793	4.3
269.17474	17.8
271.20782	1.7
275.20062	55.4
291.19647	1.8
293.21094	3.8
321.17166	2.0
339.18008	5.6
349.23752	24.1
395.20471	5.4
413.21722	19.4
419.24246	2.1
431.28027	1.6
433.30865	4.1
445.29474	3.3
451.31924	4.8
463.30466	11.2
469.33069	4.0
513.35291	1.9
515.37512	5.5
525.35895	15.9
543.36865	76.7
561.37695	5.5
607.34528	3.0
651.38599	2.3
669.39911	2.4
687.30115	2.3
687.41046	32.7
705.30884	4.7
705.42120	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	705.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.6
55.01872	14.4
55.05268	2.5
55.05513	37.6
57.03442	15.8
57.07067	3.8
61.02914	6.5
65.03931	5.3
67.05505	89.1
69.03432	28.0
69.07069	37.7
71.05000	10.4
73.02912	4.9
79.05492	74.7
81.03419	64.2
81.07057	100.0
83.04981	20.9
83.08618	16.8
85.02907	17.1
85.06532	5.0
87.04462	3.0
91.03962	1.7
91.04903	2.2
91.05479	62.7
93.07042	71.4
95.01324	1.7
95.04977	17.5
95.08612	44.2
97.02901	19.3
97.06536	22.7
97.10157	8.9
99.04467	7.7
99.08075	3.6
103.03854	1.6
103.05454	3.6
105.04532	3.2
105.07033	53.5
107.04955	14.6
107.07874	2.0
107.08598	39.5
109.02877	13.0
109.06539	9.1
109.10159	21.3
111.04478	7.5
111.08092	8.5
115.05447	3.8
117.07014	31.4
119.04927	2.4
119.08588	35.5
121.06467	8.2
121.10146	26.6
123.04383	2.2
123.08055	7.3
123.11728	9.2
125.09625	7.0
127.03932	14.8
128.06178	4.5
129.05466	5.9
129.07004	14.9
130.07794	1.9
131.08563	38.6
132.08919	1.7
133.06511	5.3
133.10129	35.5
135.08063	10.5
135.11691	14.5
137.05873	1.8
137.09586	5.7
139.11229	2.9
141.06964	7.2
142.07777	2.5
143.08553	19.0
144.09351	1.9
145.06459	4.5
145.10132	26.6
147.08060	5.6
147.11700	22.6
149.06001	2.4
149.09627	14.4
149.13245	15.6
151.11165	5.5
153.09174	1.8
154.07787	2.6
155.08583	10.1
157.06477	1.9
157.10143	10.2
159.08058	3.4
159.11708	27.4
161.09598	4.2
161.13258	7.4
163.11172	10.3
165.05519	1.5
165.12749	3.8
167.08592	4.3
168.09317	2.1
169.10091	9.7
171.07976	3.1
171.11665	13.0
173.04451	20.0
173.05873	2.5
173.09593	3.6
173.13252	13.5
175.11220	5.1
177.12709	8.2
179.08609	1.5
179.10785	2.0
179.14325	2.2
181.10155	4.8
182.10759	1.4
183.11682	9.4
184.66930	1.9
185.09633	2.7
185.13242	7.4
187.11180	4.6
187.14816	6.0
189.11188	3.4
189.12732	2.7
191.10567	2.2
191.14221	2.5
193.10222	2.1
193.12164	1.7
195.11707	4.6
195.13780	10.3
197.09624	1.8
197.13263	5.3
199.06056	1.9
199.11124	2.8
199.14848	3.7
201.12735	2.0
203.14284	1.8
207.11789	2.4
209.13292	2.3
211.14816	1.7
213.12881	2.2
218.34753	1.8
221.13301	2.2
223.14845	1.8
225.16493	2.6
227.12791	5.2
229.14178	2.3
229.19485	3.9
235.14900	2.2
239.18033	3.0
247.20558	4.8
257.19025	11.1
259.20627	3.1
267.15909	5.7
269.17474	26.0
273.18408	2.9
275.16864	2.9
275.20041	53.8
285.07523	6.1
285.22318	2.3
291.19513	2.0
293.21048	5.6
301.21692	1.8
303.16080	2.3
313.21683	3.5
315.95425	1.5
317.20908	1.6
331.22839	2.6
332.88666	1.7
339.18100	4.5
349.23776	25.3
377.19482	2.1
395.20825	4.1
413.21738	13.2
433.30927	5.6
451.31989	8.6
463.30530	4.2
469.32922	5.1
493.27838	4.4
507.34369	2.6
515.37494	8.8
525.35815	28.9
543.36859	90.8
544.37244	1.9
559.35522	2.5
561.38013	5.2
600.62134	1.8
607.34399	5.0
609.37720	2.7
613.36639	2.0
651.38916	2.8
665.36877	1.8
669.39600	5.6
687.29785	2.9
687.40912	31.7
705.42139	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	705.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	19.3
54.34931	2.9
55.01877	18.4
55.05513	39.1
57.03446	17.7
57.07074	4.6
61.02935	6.8
65.03934	6.5
67.05507	100.0
69.03429	33.2
69.06721	4.2
69.07069	47.4
71.04993	14.3
71.08638	4.0
73.02930	4.3
79.05492	76.7
81.03422	62.7
81.07059	94.5
83.04989	24.4
83.08624	20.0
85.02909	13.0
85.06532	5.5
89.06057	4.3
91.05483	72.8
92.05786	3.4
93.07045	77.6
95.04960	22.1
95.08607	57.6
97.02889	26.8
97.06529	30.5
97.10178	15.3
98.71935	2.8
99.04458	9.5
104.23856	2.8
105.07034	73.7
107.04961	21.4
107.08589	48.4
109.02879	12.9
109.06536	9.5
109.10155	26.0
111.04433	6.8
111.08088	6.9
115.05473	4.7
117.07021	30.8
119.08578	37.3
121.06511	11.2
121.10138	28.3
123.04453	3.0
123.08060	5.8
123.11705	8.3
125.09634	10.4
127.03951	14.2
128.06230	3.7
129.07016	15.6
130.07813	3.8
131.08578	38.9
133.06456	4.6
133.10143	34.9
135.08032	9.6
135.11703	21.2
141.06981	6.1
143.08572	14.5
145.06447	6.3
145.10141	30.8
147.08116	4.2
147.11714	16.8
149.09607	17.7
149.13239	9.6
151.11244	6.1
155.08553	9.9
157.10139	17.2
159.08087	5.1
159.11699	28.6
161.09615	3.6
161.13272	9.3
163.11147	11.0
163.14841	3.6
165.12735	5.7
167.08606	5.3
169.10143	10.5
171.08083	4.7
171.11687	10.2
173.04477	11.6
173.09720	5.2
173.13255	10.1
175.11287	4.2
177.11162	2.9
177.12715	7.1
179.14305	3.5
181.10167	4.5
183.11688	9.1
185.13264	4.5
187.11148	5.7
187.14861	3.6
189.11249	6.4
195.11708	4.0
195.13757	6.9
197.11392	3.0
197.13251	5.6
199.11301	4.1
209.11624	5.4
209.13409	4.1
211.14955	3.4
215.14336	3.4
227.12816	8.9
257.18979	9.6
259.20764	3.6
267.15872	4.5
269.17459	18.8
275.20093	53.3
285.07632	3.8
321.16809	4.1
335.25690	3.8
339.17944	8.0
339.23022	3.1
349.23822	25.5
395.20673	4.9
413.21942	18.1
431.28195	5.7
433.31152	4.9
451.32172	7.5
469.33444	7.1
515.37708	6.4
525.35840	24.5
535.67596	3.0
543.36853	92.6
544.36273	4.1
561.37946	7.8
613.37549	3.2
645.27802	4.8
669.39551	6.2
673.28094	25.2
676.07788	3.5
687.40906	32.2
705.29401	8.7
705.41559	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	703.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	12.7
55.01875	8.5
55.05515	36.7
57.03442	17.7
57.07079	3.8
59.04996	2.8
61.02912	2.2
65.03928	6.9
67.05509	100.0
69.03436	35.0
69.07076	20.3
71.04990	8.1
71.53588	3.7
79.05501	96.8
81.03426	52.3
81.07064	90.2
83.04984	24.6
83.08630	16.4
85.02924	18.8
85.06510	4.0
91.05490	76.1
93.07051	97.9
95.04978	22.3
95.08620	62.6
97.02895	12.9
97.06553	5.6
97.10177	5.9
99.04471	8.0
103.05494	3.4
105.07037	54.8
107.04975	9.2
107.08598	41.0
109.02901	6.8
109.06525	5.4
109.10163	21.3
113.00021	9.4
115.05447	6.6
117.07040	30.2
119.08592	37.5
121.06510	7.2
121.10140	25.1
123.04493	3.4
123.08056	7.9
123.11723	8.1
127.03938	8.5
127.07553	2.4
127.42267	2.1
128.06241	6.4
129.05492	5.2
129.07011	26.1
131.04913	2.9
131.08574	27.8
133.06514	6.8
133.10164	23.7
135.08078	4.1
135.11676	14.4
137.13239	2.6
141.06960	6.6
143.08577	19.7
145.06505	8.3
145.10100	23.4
145.10944	2.0
147.08031	6.6
147.11684	34.8
149.13266	6.0
155.08562	7.7
157.10141	9.9
159.08037	3.7
159.11729	12.0
161.09627	4.1
161.13281	17.1
167.08585	4.7
169.10162	9.6
171.08064	6.9
171.11732	27.8
173.04469	7.4
173.09746	2.7
173.13310	8.5
175.07632	2.6
175.14832	3.3
177.12750	2.8
180.09471	2.3
181.10150	6.9
183.11716	4.0
185.09624	3.5
185.13303	8.3
187.11099	2.9
187.14847	2.9
189.12802	7.9
192.94107	2.8
195.11674	4.5
197.13290	8.4
199.14816	5.5
205.10181	2.7
207.12082	2.4
207.13847	14.9
209.13199	2.9
211.14821	3.7
221.13210	2.9
223.14848	5.1
225.14815	2.7
233.15303	2.8
241.15918	5.9
243.20970	2.8
245.15347	3.4
251.14330	3.6
259.16968	4.8
261.22192	10.1
269.15341	8.0
281.17468	18.9
287.16428	16.0
309.16989	3.5
315.19757	2.8
333.16965	3.8
333.24115	3.7
335.25806	94.1
351.17920	3.4
361.20096	6.8
363.25174	4.3
379.21634	3.3
405.25876	3.0
407.20673	4.1
425.21774	9.5
479.30002	2.8
541.38904	66.4
542.39191	3.1
555.40924	5.6
591.44116	25.2
615.38550	5.0
617.39545	3.5
621.41174	7.0
685.43158	5.1
703.44751	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	703.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50178	0.4
55.05510	0.6
57.07078	1.0
59.06118	0.6
65.03941	0.4
67.05510	2.5
69.07069	1.4
69.47606	2.9
70.08334	0.5
71.08637	0.7
75.21557	0.4
79.05502	1.8
80.05801	0.4
81.07055	3.0
83.08623	1.1
85.10216	0.6
89.06051	0.4
91.05502	1.2
93.07066	2.0
95.08631	1.7
98.87557	0.5
105.07052	1.3
107.08620	0.9
109.10157	0.7
113.00055	1.5
117.07067	0.7
119.08667	0.6
129.07021	0.7
131.08589	0.9
133.08655	0.4
133.10158	0.8
145.10107	0.6
147.11690	0.6
157.10173	0.7
169.02634	0.8
173.13428	0.6
257.19165	1.4
282.65387	0.4
313.21823	0.9
335.25842	0.5
393.93488	0.4
401.17557	0.6
427.19281	0.8
430.22083	0.5
433.24075	0.5
439.14999	0.5
441.21127	1.2
442.21887	0.5
444.19543	0.5
445.20004	0.8
446.21329	0.5
453.17496	0.8
454.17752	0.9
455.17914	0.6
455.22726	1.3
456.23859	1.1
457.24115	1.3
459.21747	4.6
460.22668	1.8
461.24432	0.4
468.19492	0.8
469.19754	3.0
470.20993	2.0
471.21967	0.8
482.21500	0.7
483.21829	13.5
483.28452	0.8
484.22586	7.2
485.23489	3.9
497.23291	1.2
499.25616	0.5
511.24561	0.5
519.23969	0.9
527.24359	0.9
531.23804	0.6
543.24188	1.5
546.26654	0.9
547.26935	3.5
555.28094	0.5
559.27075	0.7
570.26202	1.4
571.26965	2.8
573.27246	0.7
573.48688	1.2
574.49121	3.5
585.28772	0.7
587.27148	1.0
591.25708	0.5
591.44476	1.6
598.26123	0.5
599.27301	1.0
601.28552	0.9
606.28308	2.4
630.28308	10.2
631.29285	4.1
643.32806	4.0
645.31061	0.7
659.28992	0.9
671.31390	0.5
703.34912	100.0
704.35034	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.01859	0.5
55.05504	1.4
57.03439	0.5
65.03940	0.5
67.05508	3.6
69.03434	1.2
69.07073	1.0
69.80862	1.7
71.04978	1.1
76.26353	0.3
79.05513	2.3
81.03419	1.4
81.07060	2.9
81.97833	0.4
83.04980	0.7
83.08651	0.4
85.02900	0.4
90.08680	0.3
91.05482	3.4
93.07058	2.4
95.05001	1.2
95.08631	1.8
97.02863	0.5
97.06526	0.5
97.10204	0.4
105.07054	2.5
107.04974	0.5
107.08588	1.9
107.98708	0.3
109.02876	0.3
109.10157	1.2
111.04473	0.4
117.07043	1.1
119.08564	1.0
121.10160	0.8
123.11756	0.5
128.06230	0.4
129.07051	0.9
131.08620	1.1
132.08167	0.3
133.10155	1.5
138.63220	0.3
143.08585	0.9
144.08061	0.4
145.06519	0.4
145.10146	0.7
147.08110	0.4
147.11742	0.6
157.10143	0.6
159.11694	0.8
160.46231	0.4
167.08643	0.4
168.08173	0.4
171.11725	0.7
172.07581	0.9
173.04524	0.5
181.07697	0.5
182.09755	0.5
183.11723	0.4
195.09175	1.8
196.09998	1.2
197.07124	0.8
197.10837	0.6
207.09218	1.0
208.09793	1.7
209.10703	5.7
210.11421	2.2
211.08731	1.1
211.12341	1.2
221.10730	2.1
222.11337	3.7
223.08765	2.0
223.12277	6.0
224.09563	0.7
224.13046	4.5
225.06595	1.6
225.10184	0.4
225.13849	4.6
226.14658	0.5
227.08211	0.6
232.09767	0.6
235.08623	0.8
235.12340	1.4
236.09511	0.9
236.13080	1.5
237.10349	2.6
237.13884	14.1
238.14671	5.5
239.08174	3.8
239.15433	1.4
241.09885	0.5
249.14101	0.5
250.11116	1.6
251.08092	0.5
251.11847	1.7
252.12563	2.0
253.05890	0.3
253.09825	1.0
253.13480	1.6
255.11426	0.8
257.09280	0.4
262.11142	0.4
263.08218	1.4
263.11902	0.5
264.12869	0.4
265.10516	0.4
265.13376	7.1
266.14160	2.9
267.07657	5.1
267.15005	0.9
268.12164	0.4
269.09186	1.1
271.10794	0.7
273.18585	0.6
275.15747	0.4
275.19989	0.6
280.13477	0.5
281.09253	3.0
283.11026	0.4
285.08783	1.0
286.13287	0.4
291.07748	0.4
295.10904	0.4
297.12436	1.6
299.10406	3.5
302.09079	0.4
309.08762	1.7
312.14914	0.6
313.11905	1.7
314.16373	0.4
323.10330	0.6
323.13733	0.7
325.15408	3.2
326.16266	0.4
341.11328	7.5
342.12061	0.7
356.14151	0.5
386.19312	0.4
391.15720	0.6
392.16699	0.7
394.18826	0.4
398.15222	0.5
405.17249	0.5
406.18845	0.5
407.19095	0.9
420.15762	0.6
421.16064	0.7
421.21063	0.6
423.18423	0.4
433.16898	1.2
434.17752	0.8
435.17798	1.8
445.16501	0.4
447.13864	0.4
447.18967	0.4
448.19534	0.5
449.20187	1.6
450.20804	0.5
458.17752	1.0
459.18069	1.0
461.15854	0.8
462.16846	0.7
463.17599	1.1
464.22107	0.5
472.17825	0.4
474.18527	0.4
475.17905	1.5
476.18701	1.0
477.19382	2.1
478.19846	1.3
491.21008	1.8
492.21399	0.7
493.22360	0.9
495.20145	0.5
505.22168	1.3
506.22519	0.7
507.20691	0.6
508.21024	1.0
509.21930	1.1
518.19312	0.7
519.20447	0.7
520.21057	0.5
521.20923	0.7
522.22473	1.0
523.23724	3.4
527.37225	0.5
532.21362	0.5
533.21783	1.8
534.21375	0.6
535.19952	0.7
536.20667	0.6
537.20734	0.8
538.24908	0.8
541.34930	1.3
547.23346	1.2
549.24280	1.0
550.22302	1.4
551.23010	5.3
561.20972	0.6
565.24609	4.3
566.25482	4.4
575.22858	1.1
576.21716	0.6
593.24060	8.1
594.24298	0.6
603.22272	0.5
607.25531	0.5
611.24927	2.5
621.23657	1.8
625.24884	2.8
635.25354	2.0
653.26080	100.0
654.26410	3.5
667.27875	0.6
671.42255	0.4
685.28699	16.1
685.38849	0.6
686.28955	0.7
703.39618	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	702.385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84874	0.3
51.43166	0.3
55.01877	0.3
55.05505	0.9
57.06829	0.4
57.07080	5.8
58.06600	2.0
65.03941	3.7
67.05515	1.5
68.05011	0.5
69.03419	0.9
69.07059	0.7
69.95451	1.6
70.06596	17.7
71.08626	2.9
72.08163	0.8
73.02907	0.3
74.06091	0.3
78.41074	0.3
79.01837	0.3
79.05495	1.0
81.03396	0.6
81.07052	1.2
83.04961	0.4
83.08613	0.7
84.08138	0.7
85.10195	0.8
86.09700	1.0
86.41422	0.3
88.07635	17.3
91.05462	0.9
91.12868	0.3
93.07054	0.8
95.04962	0.6
95.08600	1.1
98.21382	0.4
102.09184	12.4
103.01817	0.5
104.02641	0.4
105.03371	0.4
105.07053	0.7
117.07027	0.5
119.08559	0.3
121.02850	1.4
132.10236	1.9
133.02863	0.4
135.11707	0.4
136.01631	0.3
139.03920	0.8
146.11749	2.3
147.04434	0.6
149.02359	53.4
149.03453	5.8
155.28636	0.3
175.03954	1.5
177.05463	0.6
193.04973	27.8
212.23763	0.9
219.06541	1.4
220.21692	0.3
225.05573	1.1
227.12766	0.4
237.07590	4.1
238.25291	0.7
254.17531	0.4
256.26364	43.2
257.26675	0.8
263.09213	0.7
265.31320	0.3
269.04333	0.5
297.04071	1.1
300.29001	5.9
313.07095	1.1
320.25784	0.4
341.06577	4.5
359.07608	2.5
385.09186	9.8
387.10773	0.5
403.10254	11.3
429.11847	20.9
430.12094	0.5
473.14468	12.1
541.34747	0.4
640.34888	0.5
684.36908	1.5
702.38464	100.0
703.38818	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	703.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11374	0.6
55.05368	1.6
55.05645	1.4
67.05325	3.1
67.05726	2.1
69.03275	1.4
69.03635	1.3
69.06924	1.5
69.07246	1.1
71.04876	1.3
74.09587	1.4
74.09924	0.9
76.15405	0.6
79.05304	2.5
79.05788	1.1
81.03217	2.4
81.03728	1.3
81.06857	3.7
81.07386	1.5
83.04807	1.3
83.05257	1.0
83.08471	1.3
85.02719	0.8
91.05261	3.7
93.06817	3.9
93.07468	1.5
94.06375	0.8
95.04809	1.1
95.08384	2.1
97.02784	0.8
97.06357	0.7
97.09998	1.0
98.21541	1.2
103.19301	0.7
105.06797	2.9
107.04823	0.7
107.08447	1.3
108.84954	0.7
109.06359	0.9
109.09994	1.0
109.10622	0.8
117.06814	1.7
117.07569	0.7
119.08309	2.5
121.09970	0.9
129.06786	1.1
131.08389	1.4
132.07912	0.8
133.09924	1.3
135.11368	0.7
143.08400	1.0
144.07843	1.8
145.07367	1.2
145.09901	1.3
147.11499	1.4
149.09392	0.9
159.09016	0.8
161.09433	0.8
166.08388	0.7
171.11435	1.0
172.07327	0.9
173.06944	1.2
183.09001	0.8
187.08455	1.5
194.09348	1.0
195.08893	1.0
196.09740	1.1
197.10587	1.6
199.08450	0.8
201.06425	1.8
207.10353	0.8
208.09514	2.0
209.10748	5.0
210.11253	1.0
211.11958	2.8
212.12918	1.5
215.07826	1.9
219.11052	1.3
220.23724	0.8
220.81264	0.6
222.11171	0.8
223.12201	5.7
224.13005	5.3
224.94476	0.7
225.13829	5.5
226.14482	1.6
227.12715	0.8
227.15144	1.4
229.05821	1.5
229.09464	1.4
235.12062	1.7
236.12831	1.0
237.09895	1.4
237.13849	10.5
238.14684	5.6
239.07976	0.8
239.15503	7.0
240.15883	1.7
243.07378	0.9
248.40623	0.9
249.13554	0.8
251.11472	2.5
252.12283	1.5
253.13297	3.6
261.12216	1.3
263.11295	0.9
263.15094	0.8
265.13370	5.9
266.14117	4.2
267.15030	5.6
267.17795	1.2
271.10602	0.9
273.18152	1.2
275.10074	1.1
275.15131	1.2
282.13239	0.8
287.10046	1.1
287.13943	1.5
290.16153	1.0
291.19293	1.6
297.12177	1.0
297.15765	0.9
299.09973	1.4
300.14706	1.3
301.15671	0.8
302.13074	0.8
303.09415	0.9
305.16248	0.8
309.15607	1.9
314.16275	1.2
315.17142	1.1
316.17905	1.5
317.10889	2.6
325.15536	4.0
326.16248	1.1
327.16864	1.4
328.14050	0.7
328.17853	1.2
338.16333	1.0
344.17142	0.9
350.15768	0.7
355.18976	0.9
368.16837	0.9
372.16946	0.7
374.18387	0.9
376.19986	1.2
378.18448	1.5
383.18597	1.7
384.19644	0.9
386.18655	1.0
387.19427	0.9
388.20435	3.3
389.20737	1.5
395.19525	0.8
397.16403	0.9
401.20883	1.2
402.21432	2.4
403.22437	1.1
404.15973	0.7
404.23163	3.2
406.17847	1.0
407.18356	0.8
410.17923	0.9
411.18369	0.9
412.18958	1.1
426.21426	0.9
427.21146	3.7
430.20941	2.0
437.19641	1.0
455.20740	1.9
465.18979	1.1
470.24017	1.3
471.23956	1.7
481.22223	0.9
485.25760	1.7
490.23520	3.2
491.24643	3.3
495.23969	1.2
496.22159	2.8
497.24713	2.7
498.23160	2.3
499.23462	1.6
508.20773	1.0
513.25391	4.7
514.25800	5.1
523.23645	5.1
524.22375	1.9
525.23425	1.1
526.22095	0.9
536.43622	0.9
541.24274	6.6
541.34735	1.9
542.24725	2.6
551.22882	2.3
552.21075	1.7
555.26129	1.0
556.25714	0.9
569.23987	6.0
573.26855	2.0
579.23108	0.9
583.25720	3.5
584.24725	1.3
601.26843	8.7
611.25073	14.5
629.26001	14.7
630.24805	0.9
639.24274	1.9
643.27649	23.5
653.25598	1.8
661.28729	6.6
671.27148	100.0
672.27020	3.2
703.29755	35.9
703.41040	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	701.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.4
55.05509	0.6
57.07071	0.5
57.39664	0.4
67.05502	1.5
71.08630	0.8
78.16672	0.5
79.05496	1.8
81.07059	1.7
81.25799	0.4
83.08629	0.8
91.05520	0.6
93.07037	1.6
95.08598	1.3
98.21505	1.4
107.08617	0.9
109.10188	0.6
111.08122	0.4
121.10113	0.5
131.96567	0.4
135.11673	0.6
171.11696	0.4
179.14365	1.5
203.75096	0.5
207.46898	0.4
211.12321	0.7
225.13817	0.7
229.64050	0.4
235.12311	0.5
237.13971	1.0
238.14767	0.5
239.15488	0.7
247.12589	0.4
261.13840	0.7
262.27811	0.4
263.15326	0.5
267.68414	0.4
275.15381	0.6
277.21732	0.7
364.17789	0.4
377.18503	0.5
379.19260	1.1
393.21082	0.7
407.22565	0.6
408.55905	0.5
409.20370	1.6
420.19287	0.6
421.20255	0.9
422.21017	1.1
423.21967	6.2
435.21783	1.3
436.22766	0.9
437.23798	3.8
438.24701	0.8
448.19247	1.2
449.18732	0.6
449.23987	0.7
450.24692	0.6
461.19724	0.7
462.20480	0.9
463.21500	0.8
464.21640	0.5
465.23541	0.6
475.21323	1.5
476.22214	0.8
477.18866	1.2
480.22156	0.7
481.22363	0.7
491.21060	1.5
492.21921	1.3
493.22327	1.0
497.25302	0.8
507.24072	0.6
508.21109	0.9
509.25400	0.7
511.27835	0.5
517.22577	0.5
521.25690	0.6
522.24506	0.6
523.27521	4.5
524.27655	1.7
525.25031	0.6
527.29797	1.4
534.22333	0.5
535.23932	1.0
537.25562	0.5
539.26373	0.9
549.24890	1.3
550.24835	0.5
551.27002	3.1
553.23926	0.7
561.25104	1.2
563.23224	0.6
566.25128	0.7
567.25806	0.7
571.46960	1.3
572.47638	1.3
577.24347	1.3
578.25549	0.6
579.26074	3.4
581.25671	0.6
589.24554	0.7
589.48145	3.5
591.25958	0.6
594.24976	0.5
595.25836	1.0
605.24042	1.1
609.26959	1.8
610.26892	0.5
611.28717	7.3
613.37244	0.7
637.26648	1.4
651.28046	7.5
655.27075	2.2
656.08813	0.5
669.29205	16.8
670.29578	1.9
683.30353	0.7
701.31812	100.0
702.32135	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	701.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.7
57.03434	0.5
57.07079	0.6
64.01611	0.5
67.05507	2.5
69.07082	0.8
71.08627	0.5
79.05505	1.6
80.09392	0.6
81.07048	3.6
83.08622	1.0
91.05505	2.0
93.07041	2.4
95.08607	1.7
96.08900	0.6
97.10265	0.6
105.07058	1.3
107.08622	1.0
109.06567	0.5
109.10181	0.7
113.00062	0.8
119.08587	1.0
121.10210	0.8
133.10168	1.1
143.08597	0.8
169.10219	0.5
172.12181	0.5
211.12474	0.6
221.75774	0.5
225.13957	0.6
236.56760	0.5
238.14642	0.8
261.13788	0.6
265.67328	0.5
269.18121	0.5
379.19128	0.8
405.21179	0.7
409.20438	1.9
421.20328	1.2
422.21240	0.6
423.21930	5.4
435.22409	0.8
437.23425	2.0
438.24377	1.3
449.23920	0.8
450.20450	0.8
453.23480	0.8
461.19653	0.5
463.21359	0.9
465.23718	0.6
466.70114	0.5
475.21365	1.0
477.23651	0.8
491.21265	1.7
492.21832	0.9
493.22070	1.0
507.23935	1.4
509.25406	0.6
511.27344	1.1
522.25873	0.7
523.28015	2.5
533.25641	0.7
535.23663	0.7
539.27124	1.2
540.27014	0.8
549.24304	0.7
550.25659	1.1
551.26959	2.5
563.23517	0.6
567.25641	1.6
571.29919	1.0
579.26245	3.3
580.26495	0.6
581.26337	1.0
589.41437	0.8
589.49030	1.1
591.25989	0.9
594.24799	0.7
595.25897	1.4
611.28595	6.8
627.28156	0.8
637.25092	0.7
655.27313	3.2
669.29211	13.4
670.29700	1.2
701.31824	100.0
702.31555	2.9
720.57739	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.6
55.01878	3.2
55.05518	18.9
57.03441	13.3
57.07073	25.5
65.03936	3.1
65.11649	2.4
67.05179	3.8
67.05510	54.0
68.05830	3.2
69.07076	20.1
71.05003	4.5
71.08286	2.4
71.08639	21.7
71.17511	4.0
79.05068	4.1
79.05495	57.4
80.05820	3.1
81.03419	7.2
81.07059	58.0
82.07368	4.8
83.04974	9.9
83.08616	14.8
85.06568	2.6
85.10175	9.9
91.05480	45.1
92.05839	3.5
93.07050	62.0
94.07345	4.5
95.04986	18.5
95.08612	41.9
97.06541	6.7
97.10158	5.3
99.08084	5.4
104.94653	2.2
105.07037	28.6
105.98292	2.2
107.04997	3.1
107.08603	19.3
109.06522	5.6
109.10156	16.1
111.08064	3.5
111.11765	2.6
114.60479	2.4
114.84363	2.5
117.07024	9.3
119.08589	20.8
121.06508	4.7
121.10117	9.7
123.08066	4.5
123.11676	4.0
129.07027	7.3
131.08543	9.5
133.10126	14.7
135.07988	2.4
135.11664	6.2
143.08560	4.7
145.10101	10.6
147.11707	27.9
149.13345	3.7
151.11143	3.5
158.10414	2.6
159.11639	3.3
161.13269	7.1
163.11128	2.9
171.11687	17.4
179.14311	4.9
189.12735	6.6
199.15013	2.3
207.13786	24.2
219.99277	2.5
221.32397	2.4
240.53841	2.2
269.17593	3.2
270.18219	2.3
277.21423	2.7
281.17468	58.6
313.27344	48.7
335.25867	4.3
464.30142	3.2
519.40491	100.0
519.48242	5.1
529.39063	3.1
530.39099	9.8
543.75732	2.4
564.38690	3.4
612.47345	2.7
699.42419	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	698.5565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01859	2.0
55.05516	6.5
56.05025	2.4
56.60707	0.6
57.07077	5.9
58.06594	0.9
60.04510	1.1
67.05508	11.8
68.04994	0.7
69.03426	1.3
69.07076	6.7
69.69864	3.9
70.06571	1.4
71.08630	4.8
78.75825	0.7
79.05495	8.7
80.05013	2.8
81.03414	0.8
81.05796	1.8
81.07056	10.8
81.94111	0.8
82.06566	5.0
83.04960	0.7
83.08623	4.5
83.99359	0.6
85.02912	1.0
85.10175	1.7
91.05479	8.3
93.07044	10.4
94.06567	20.7
95.04947	1.1
95.07358	4.4
95.08611	10.0
96.08132	3.7
97.06507	2.4
97.10152	2.7
105.07034	8.0
107.04987	1.0
107.08579	3.8
108.08118	2.8
109.10165	4.1
113.00050	1.4
117.07008	1.0
119.08585	6.0
121.10126	4.1
122.09654	1.9
123.08060	0.9
123.11691	1.3
131.08586	1.4
133.10097	4.3
135.11662	1.9
145.10104	1.0
147.11705	1.4
149.13268	1.3
149.85660	0.6
159.11823	1.2
193.19638	0.9
233.22592	1.4
234.22215	0.8
245.22679	2.0
250.25360	4.3
255.56906	0.8
256.26379	3.1
262.25302	100.0
263.25613	1.6
275.20078	3.8
276.23077	0.7
280.26343	7.9
281.72906	0.7
293.21112	0.9
352.32117	0.9
488.48474	1.6
500.41507	0.7
500.48209	14.3
502.49677	3.0
518.49347	24.5
519.49768	0.9
586.45673	2.5
587.46802	11.8
680.54541	14.2
681.54651	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.9
53.03952	6.8
55.01877	6.4
55.05516	36.5
57.03442	11.5
57.07086	8.2
59.22021	1.3
65.03944	5.0
67.05511	95.3
69.03439	3.4
69.06723	2.3
69.07074	30.6
69.87022	5.2
71.05000	6.4
71.08633	28.1
71.99714	1.4
72.87470	1.1
77.03916	1.6
77.13202	1.1
78.01749	1.3
79.05500	68.6
81.03434	8.8
81.07065	100.0
82.20454	1.3
83.04985	14.5
83.08628	23.5
85.06556	5.3
91.05488	54.5
93.07053	74.6
95.04979	17.8
95.08616	50.3
97.06551	10.9
97.10177	14.0
98.10513	1.3
99.07490	1.8
99.08105	24.1
103.05489	1.9
105.04531	2.1
105.07042	39.8
107.04949	4.5
107.08605	38.3
109.06557	7.4
109.10154	16.7
111.08088	8.5
113.09628	2.7
115.05480	1.7
117.07024	18.5
119.07803	1.9
119.08591	23.6
121.06545	4.6
121.10168	19.0
123.08086	3.0
123.11709	6.4
125.09602	9.2
128.06247	2.3
129.07019	9.3
131.08580	21.8
133.06543	2.1
133.10150	26.3
135.08055	4.0
135.11702	19.0
137.09641	4.0
137.13269	1.6
139.11182	4.5
141.07018	2.3
141.12764	1.8
143.08572	9.9
145.10121	13.0
147.11699	14.8
149.09608	2.9
149.13269	21.0
151.11192	27.0
153.12689	1.6
155.08606	3.5
157.10139	5.5
159.11705	14.3
161.09599	2.1
161.13260	12.5
163.11214	12.5
163.14859	2.5
165.12759	4.9
169.10109	2.8
171.11734	4.9
173.11864	2.9
173.13283	4.2
175.11217	1.6
175.14867	5.8
177.12762	5.4
177.16457	1.4
179.14363	8.1
183.11685	2.1
185.13303	4.1
187.14900	2.9
189.11288	7.6
189.12735	1.7
189.16449	1.5
191.14319	1.5
195.13779	10.6
199.14883	3.3
201.16359	1.8
207.11880	1.2
209.13416	1.3
221.15416	1.4
227.12759	12.1
227.17847	1.4
229.14394	1.9
231.21132	2.0
241.19562	4.3
245.13974	1.9
249.22075	1.5
251.16513	3.4
253.14502	1.7
253.17990	4.6
259.20526	10.9
267.15829	2.2
269.17490	40.6
277.21667	34.5
278.21909	1.6
293.20935	1.6
295.22559	3.1
315.23099	1.3
333.24304	3.5
351.25323	45.0
355.25873	1.6
367.24860	4.2
369.26544	1.5
373.27341	1.6
391.28705	1.5
431.27832	3.8
435.32553	3.4
439.26904	1.3
445.29886	6.1
447.31171	3.9
449.28665	2.0
453.33508	4.8
463.30600	41.4
471.34512	2.7
489.35532	1.5
513.35760	1.6
527.37366	8.4
529.38593	2.9
531.36816	1.6
545.38428	53.7
546.37823	1.5
563.39575	7.8
586.44830	1.7
613.37085	1.5
627.46094	5.5
629.71204	1.3
645.46808	3.2
698.43298	4.5
699.43591	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	698.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05317	0.5
53.03943	1.0
53.66518	0.4
55.01871	1.0
55.05517	6.7
57.03437	2.0
57.07071	1.5
58.27296	0.6
65.03932	0.9
67.05508	14.0
69.03423	0.7
69.07069	4.9
71.06236	0.4
71.08639	2.6
71.54562	0.6
74.66264	0.5
79.05495	9.7
80.05860	0.8
81.03426	1.3
81.07065	13.0
82.07391	0.7
83.04978	2.4
83.08624	2.6
83.82452	0.5
85.06549	0.6
91.05479	8.6
92.05012	4.0
93.05802	1.4
93.07045	9.8
94.06590	1.0
95.04975	3.0
95.08604	7.3
97.06528	2.5
97.10165	2.6
99.08106	2.2
99.30876	0.5
105.07049	5.0
106.06552	1.7
106.07355	0.5
107.04911	0.6
107.08589	5.6
109.06540	1.0
109.10154	2.8
111.08115	1.7
116.56103	0.5
117.05782	0.8
117.07031	2.4
118.06563	11.6
119.07347	1.9
119.08599	3.7
120.08143	1.3
121.10148	3.0
123.08110	0.5
123.11729	0.5
125.09624	1.3
129.07031	1.1
130.06561	1.2
131.08583	3.5
131.10706	0.5
132.08127	2.2
133.10159	3.0
135.11716	2.6
136.06363	0.6
139.11232	0.6
143.08502	0.9
144.08054	0.9
145.10185	1.7
146.09644	0.8
147.11734	1.7
149.09621	0.8
149.13275	2.1
151.11185	2.8
157.10129	0.9
159.11682	1.4
161.13266	0.8
162.09155	12.3
163.09944	3.7
163.11163	0.9
164.10716	0.7
171.11754	0.6
173.13319	0.9
176.10742	2.1
179.14401	1.1
181.93704	0.5
185.13293	1.0
189.11284	0.9
195.13831	1.6
202.15948	2.5
216.07620	0.5
218.15410	3.8
227.12794	2.5
230.15407	14.9
241.19644	1.0
246.18613	1.0
248.16637	0.9
259.20578	0.6
262.18030	10.0
269.17517	4.4
270.17963	0.6
274.18018	20.8
277.21579	3.9
286.18222	1.1
292.19077	27.3
304.19131	3.8
330.20673	1.3
331.18787	0.5
332.18973	0.5
333.20480	0.6
341.45093	0.5
348.21637	2.5
351.25494	4.1
367.24734	0.6
428.18503	1.6
439.27002	0.5
442.20090	0.7
447.31287	0.6
463.30466	3.9
527.37231	1.0
542.42114	0.9
545.38422	5.6
556.42615	0.6
563.39471	1.1
586.44684	36.2
587.44989	1.3
604.45758	14.0
604.54895	1.0
605.45709	0.8
627.46381	1.0
645.47571	0.7
652.39197	2.1
664.43610	0.7
698.43658	100.0
699.44012	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	698.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	1.2
55.05513	29.3
57.03445	8.1
57.07076	17.5
61.02935	22.8
67.05507	37.5
69.03420	3.7
69.07069	48.8
69.91153	5.4
71.04990	3.7
71.08632	9.5
73.02916	9.0
74.09696	2.6
79.05495	19.1
81.03405	2.8
81.06594	2.5
81.07059	46.9
83.04977	2.8
83.08156	2.8
83.08622	39.2
83.09119	2.0
85.02428	2.0
85.02906	26.6
85.06545	2.7
85.10174	7.0
91.03406	2.1
91.03954	22.2
91.05476	3.3
93.07043	25.7
95.08610	44.7
97.02898	14.0
97.06529	10.1
97.10178	25.9
99.04481	2.2
99.08109	2.0
105.07031	2.4
107.08596	16.9
107.84096	1.2
109.10166	25.2
111.08053	5.6
111.11729	8.5
115.03929	1.4
116.66583	1.2
119.08544	2.1
121.10152	36.8
123.11716	8.9
125.09601	3.4
125.13223	2.1
127.03944	8.0
135.11693	33.2
137.13226	2.9
139.11189	3.2
143.67581	1.2
145.04953	9.9
149.13258	15.7
151.14818	5.2
153.12709	2.0
163.06021	22.8
163.14815	5.0
165.16380	3.1
177.16368	2.8
190.84151	1.3
191.17990	1.9
213.18362	1.7
247.24225	32.2
265.25272	88.7
283.26291	15.4
302.51529	1.3
314.16245	1.3
320.25735	1.6
339.28943	100.0
351.25189	1.5
357.29993	69.5
358.30240	1.5
409.29544	1.2
481.62753	1.4
501.33887	4.4
687.29620	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.05265	2.5
55.05513	27.5
57.03434	7.3
57.07079	17.2
58.53148	1.4
61.02934	30.9
67.05508	43.6
69.03429	6.9
69.07074	49.3
70.67199	1.5
71.04993	2.8
71.08641	11.4
71.18190	2.3
73.02918	9.7
73.50558	1.7
75.04452	3.2
79.05500	20.4
81.03413	4.3
81.07059	52.7
83.08619	39.1
85.02912	36.2
85.06560	2.9
85.10177	7.1
91.03960	31.8
91.05474	3.0
93.07053	25.9
95.08611	48.9
97.02894	14.6
97.06536	9.4
97.10175	27.3
99.04421	2.0
99.08084	2.4
105.07040	2.9
107.08607	21.2
109.10163	26.3
111.08090	5.3
111.11729	9.8
121.10155	44.4
123.11732	11.1
125.09577	3.0
127.03928	13.6
130.84201	1.6
135.11710	36.5
137.13222	3.6
139.11243	3.4
145.04964	14.4
149.13240	15.0
151.14862	5.1
153.12819	2.2
154.09117	1.5
163.06021	26.9
163.14827	6.2
165.16391	5.4
177.16364	3.9
177.69687	1.5
187.49773	1.6
191.17982	3.6
195.17516	2.0
200.40053	1.9
213.18448	1.6
247.24236	34.8
259.90140	1.6
265.25293	100.0
266.25696	1.9
283.26349	22.8
291.86630	1.8
339.28946	86.4
340.91867	1.6
357.30023	86.1
698.42377	4.9
712.12738	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	698.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.6
55.01857	4.5
55.05507	8.1
57.03444	2.8
59.15358	2.0
67.05492	5.8
69.03427	9.2
69.07075	46.8
69.80262	8.8
70.06578	3.4
71.04979	4.4
73.02914	2.4
73.06577	1.7
74.53321	1.5
79.05508	15.1
81.03406	3.4
81.07061	14.7
82.04630	1.4
83.04986	27.8
83.08613	2.7
85.02909	9.7
85.06524	1.8
91.05482	20.0
93.07044	19.3
95.04971	8.7
95.08607	3.9
97.02882	3.8
97.06537	84.8
99.04453	35.0
100.11255	13.0
101.06059	1.6
103.05495	2.4
105.07039	37.0
107.04974	8.1
107.08598	15.8
109.06534	11.4
111.04450	2.2
113.94682	1.7
115.05459	2.5
115.07554	5.0
117.07014	10.4
119.04929	3.6
119.08597	8.8
121.05661	2.8
121.06516	41.5
121.10126	4.5
125.06002	70.2
127.03921	3.7
128.06242	2.5
129.06961	6.3
130.07764	4.7
131.08554	19.6
133.06482	9.1
133.10164	9.6
135.04401	2.9
135.08084	3.8
135.11687	5.7
137.05966	12.0
138.46931	1.5
139.07555	1.6
141.01863	1.7
141.07007	3.2
143.07043	80.8
143.08606	9.3
144.09312	4.3
145.06473	9.5
145.10133	92.3
147.08015	3.0
147.11685	4.7
149.06018	2.1
149.09518	2.5
151.07542	4.7
154.07806	2.3
155.07111	2.3
155.08540	6.9
157.06425	2.0
157.10101	3.3
158.07272	13.0
159.08080	13.1
159.11694	33.3
161.09579	3.7
163.07518	3.4
163.11183	43.5
169.10118	15.0
171.08051	3.3
172.08830	4.9
173.09636	99.7
174.09979	2.0
175.07570	2.6
177.12737	3.0
182.07268	1.7
182.15414	3.8
187.11194	75.3
189.12735	3.4
191.10710	20.1
197.09674	8.6
205.12250	70.1
209.11737	4.7
210.14867	4.8
215.10674	80.9
233.11732	100.0
251.12801	64.1
255.15822	3.7
259.36096	1.5
269.13959	9.0
286.76724	1.5
287.05508	21.6
288.05884	24.7
298.85187	1.6
299.22455	1.6
325.16473	14.3
343.17499	24.1
360.71832	1.7
401.99899	1.7
413.17978	3.7
427.16016	9.6
449.10855	3.8
450.11157	10.3
697.52094	12.6
698.27014	5.4
698.52740	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	698.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
55.01860	4.3
55.05511	5.3
57.03445	1.8
58.86063	1.3
59.21093	1.5
67.05504	5.7
67.05852	1.2
69.03441	7.3
69.07070	34.5
70.50885	3.3
70.51276	2.8
71.01354	2.1
71.04994	6.1
73.06547	2.8
76.84512	1.4
79.05503	14.6
81.07072	11.9
83.04985	25.7
85.02905	4.7
85.06535	1.7
91.05482	14.7
93.07056	15.2
95.04975	7.2
95.08598	4.7
97.02892	2.4
97.06541	71.9
99.04465	37.7
101.02459	1.6
103.05519	2.0
105.07038	37.1
107.04948	7.9
107.08602	16.6
109.06526	13.7
115.05453	2.5
115.07613	3.8
117.07005	12.3
119.04959	11.4
119.08598	7.3
121.06514	36.3
121.10128	3.5
125.06001	56.6
128.06224	1.9
129.07045	4.3
130.07819	3.2
131.08565	19.5
133.06482	10.3
133.10094	7.4
135.04436	1.6
135.08063	3.0
135.11702	3.5
137.05989	9.4
139.07541	1.9
141.01805	3.2
141.07019	3.3
143.07043	63.4
143.08551	8.6
144.09343	4.3
145.06494	9.3
145.10133	96.1
147.08063	3.4
147.11694	4.1
149.05962	1.5
149.09648	2.0
151.07542	5.7
154.07788	3.7
155.08542	5.9
157.10118	3.2
158.07289	10.1
159.08095	11.1
159.11705	35.3
161.09637	4.1
163.07584	3.9
163.11194	57.3
169.10141	12.8
171.07983	1.7
171.11699	3.9
172.08879	5.9
173.09633	83.7
174.01466	1.5
177.12744	4.4
179.08556	2.9
182.07356	2.5
187.11194	85.1
189.12814	3.5
191.10687	20.0
197.09619	10.2
205.12253	77.2
207.13890	2.8
209.11775	4.3
215.10693	67.0
223.13437	2.9
233.11737	100.0
245.26595	1.6
251.12805	76.0
269.13867	26.1
307.15338	6.8
325.16489	32.0
343.17508	41.6
391.14093	1.9
409.14929	5.0
413.18317	1.6
427.15976	11.8
444.00912	1.7
501.19534	4.7
554.43414	1.5
697.52252	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	697.444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.5
52.43779	0.4
53.03933	1.5
55.01879	7.5
55.05515	17.7
57.03430	1.3
57.06829	0.5
57.07081	6.6
59.04966	0.4
64.48342	0.4
67.05511	15.2
69.03427	0.7
69.07075	18.2
71.04987	0.9
71.08282	0.4
71.08643	4.3
79.05497	15.1
81.03424	0.5
81.07063	13.9
83.05002	2.1
83.08142	0.9
83.08624	13.8
85.06567	1.0
85.10177	1.5
91.05487	13.7
92.77496	0.4
93.07050	10.4
95.01316	1.0
95.04975	3.2
95.08613	9.3
97.06542	5.6
97.10178	8.5
98.20743	1.1
99.08092	0.8
103.05529	0.6
105.04456	0.5
105.07040	13.6
107.04964	5.8
107.08604	10.7
109.06539	2.1
109.10152	5.0
111.08097	1.9
111.11727	2.0
113.00020	6.9
113.06040	0.4
115.05456	0.6
117.07036	5.1
119.06033	0.6
119.08595	8.4
121.06510	1.3
121.10156	4.7
123.04438	0.6
123.08091	1.3
123.11720	1.4
125.09657	1.8
128.06198	1.0
129.07048	1.3
131.08574	5.7
133.06483	0.9
133.10135	6.0
135.08095	1.5
135.11700	3.4
137.09630	0.5
141.06982	1.1
142.07748	0.4
143.08572	2.0
145.06474	0.6
145.10126	5.8
147.08044	1.2
147.11696	4.2
149.09637	4.5
149.13278	1.2
151.11174	0.6
153.09062	0.8
155.08537	0.7
157.10123	1.4
159.08023	0.5
159.11703	3.5
161.09589	1.0
161.13283	1.5
163.11189	2.6
169.02594	3.9
169.10130	0.9
171.11716	1.2
173.09593	0.5
173.11963	0.4
173.13315	1.5
175.11307	0.5
175.14774	0.5
177.12782	1.5
179.14395	1.2
183.11760	0.6
185.13306	0.7
187.11247	0.9
189.11137	0.4
205.12280	0.7
219.21019	0.6
229.19623	0.9
237.22182	3.4
239.18013	0.6
245.19231	0.7
255.17439	1.3
257.19012	2.2
273.18475	4.5
275.20071	17.6
291.19562	0.7
293.21078	1.3
311.20139	0.5
311.25800	3.5
313.21710	0.5
313.27393	1.4
329.21222	1.6
331.22739	1.0
347.22131	0.5
349.23877	1.8
385.25650	0.4
443.22046	0.7
463.34436	0.5
469.15405	0.4
481.35535	0.6
489.39441	0.7
567.44098	1.2
585.45166	100.0
586.45764	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	697.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.4
55.05514	2.8
57.03431	3.2
61.02926	7.7
66.96750	0.7
67.05508	14.4
69.03441	5.1
69.07068	1.9
69.87686	3.2
71.01366	0.8
71.05010	1.3
73.02908	4.3
79.05502	3.0
81.03413	3.5
81.07056	8.2
82.07402	0.9
83.04980	2.1
83.08608	2.1
84.02654	0.7
85.02901	8.2
85.06543	1.0
91.03965	3.4
91.05492	3.4
93.07058	4.7
95.04964	0.7
95.08630	3.7
97.02899	5.3
97.06550	1.1
99.04469	1.9
101.02377	2.8
101.83380	0.7
105.07043	1.9
107.08616	3.3
109.02851	1.2
109.10162	11.7
109.45511	0.7
112.03905	0.7
117.07052	1.0
119.08595	2.4
121.10133	1.5
126.37051	0.7
127.03935	2.2
129.05476	1.3
130.23593	0.7
131.08578	1.4
133.10141	1.5
135.11743	0.7
137.09612	0.9
145.05000	1.3
149.13286	0.9
155.10667	1.0
159.11777	0.7
164.67075	0.7
170.08217	0.7
173.11681	3.6
185.04138	3.4
195.09956	1.4
195.13837	1.0
201.03693	2.0
203.05319	1.2
221.11473	1.5
229.14395	2.8
235.13052	1.9
243.08423	3.9
243.12656	0.7
251.12668	1.1
258.09775	1.0
268.49658	0.7
285.07828	0.9
301.08890	7.3
315.10583	3.4
329.12213	1.0
369.15530	1.0
371.16693	5.0
371.99966	0.7
373.11282	2.2
377.32129	0.8
385.18359	2.3
413.17828	23.1
425.21420	2.7
429.17426	1.9
433.25348	1.1
453.20868	5.7
463.26672	1.4
469.20840	0.9
481.18881	2.1
484.22397	0.9
485.19815	8.2
497.23605	1.0
499.21652	3.2
516.21857	1.7
541.26178	4.6
553.29913	1.9
567.31451	26.2
568.32233	1.1
596.31604	11.1
597.32495	1.3
625.31970	100.0
626.32281	2.7
628.31366	7.8
651.33295	7.7
653.35193	2.4
669.34619	1.5
697.34070	55.7
698.35437	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01884	0.6
55.05269	0.4
55.05511	5.5
56.05047	4.0
57.03438	0.5
57.07077	2.6
58.02935	0.3
58.06594	0.9
60.04527	2.2
61.02908	0.4
63.37250	0.3
65.03930	0.9
67.04239	0.3
67.05503	11.0
68.05010	0.9
69.03423	2.0
69.07072	8.7
69.83952	0.3
69.86268	1.3
70.06590	2.1
71.08627	1.8
74.06066	0.3
74.09695	0.8
76.03992	0.4
77.03889	0.4
79.05495	7.9
80.05018	2.5
81.03400	0.9
81.05796	1.2
81.06586	0.5
81.07058	10.4
82.06121	0.5
82.06580	6.0
83.04981	0.4
83.08614	4.9
84.08130	0.7
85.02909	3.9
85.10165	1.0
86.06038	0.3
87.04449	0.4
91.05483	8.1
93.05774	0.3
93.07044	9.8
94.06568	16.0
95.04958	1.1
95.06754	0.4
95.07353	7.4
95.08604	6.9
96.07574	0.4
96.08133	5.8
97.02894	1.4
97.06522	0.3
97.10171	2.7
98.06027	0.3
99.04420	0.3
99.09625	0.2
99.76385	0.3
100.07613	0.4
103.05474	0.3
105.04513	0.4
105.06399	0.4
105.07038	5.1
106.06538	0.3
107.07388	0.4
107.08598	4.5
108.08125	2.6
109.02853	0.4
109.08894	0.3
109.10164	2.9
111.11703	0.8
114.30009	0.2
117.07040	0.4
119.07793	0.4
119.08592	5.0
120.08099	0.4
121.08868	0.4
121.09275	0.3
121.10147	5.4
121.10995	0.2
122.09651	2.1
123.11699	1.2
124.11225	0.7
127.03858	0.7
131.08577	0.3
133.10115	3.7
134.09621	0.4
135.10466	1.0
135.11687	2.6
136.11194	1.1
137.13263	0.7
145.04956	0.5
147.11702	1.3
149.13239	1.2
151.14822	0.6
159.11702	0.3
161.13234	0.8
163.14804	0.3
193.19498	0.4
196.20705	0.3
219.21057	0.8
233.22610	2.8
234.22223	0.4
237.22183	0.3
245.22603	5.9
247.24323	0.3
250.25307	6.0
254.24832	1.1
260.23630	0.4
262.25296	100.0
263.23404	0.6
263.25702	1.1
264.26889	0.8
272.25854	5.7
280.26346	5.4
296.25842	0.3
310.27469	0.5
312.25430	1.0
314.26913	0.3
330.07529	0.3
442.31625	0.6
504.47809	4.7
516.47766	31.9
517.47906	1.3
518.49323	8.3
534.48840	7.9
585.45215	1.2
695.53503	0.3
696.54108	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	696.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.8
55.01868	11.5
55.05514	28.0
57.03450	10.3
57.07056	8.6
67.05181	6.7
67.05509	100.0
69.03405	6.5
69.07070	21.6
71.04984	8.5
71.08617	14.1
74.27712	5.5
79.05486	48.4
81.03418	15.0
81.07063	75.7
83.04971	16.7
83.08627	18.0
85.06555	8.0
91.05482	65.3
93.06561	6.0
93.07056	55.6
95.04951	20.4
95.08601	55.1
97.06528	13.1
97.10180	7.7
99.08081	8.0
105.07047	32.5
107.04971	13.0
107.08612	37.2
109.06522	11.0
109.10152	34.7
112.96574	5.0
117.07011	11.2
119.08586	18.3
121.10152	22.4
123.08057	8.0
123.11745	12.7
125.09615	9.7
131.08553	16.0
133.10153	40.6
134.66505	5.9
135.08044	6.4
135.11696	18.8
135.15573	7.3
137.09613	14.0
145.10095	9.9
149.13348	10.6
151.11201	28.6
159.11678	10.0
161.13254	11.5
163.11250	10.4
165.09148	7.1
167.14388	6.6
173.13254	7.7
177.12695	7.1
195.13791	5.6
207.43071	6.2
253.14297	30.3
255.15759	8.0
259.20523	6.9
269.17502	20.0
275.20102	43.7
277.21683	17.3
293.21152	11.8
335.25897	8.6
336.26138	7.0
349.23767	17.2
351.25211	22.1
367.24823	21.7
390.25906	7.1
426.39569	6.4
453.62567	6.1
516.37366	9.3
543.37012	8.2
561.37872	85.1
643.45209	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.6
53.03960	8.3
55.01866	6.5
55.05512	35.5
57.03438	12.7
57.07073	5.1
59.05009	1.8
63.63139	1.5
65.03946	5.4
67.05508	100.0
69.03415	4.0
69.06720	2.9
69.07071	34.7
69.26311	6.2
69.26742	7.4
71.04985	5.6
71.08627	9.2
79.05499	83.3
80.06286	2.4
81.03412	7.7
81.07061	96.9
83.04984	13.3
83.08618	18.3
85.06548	6.7
91.05486	72.6
93.07049	84.4
95.04962	16.6
95.08611	57.1
97.06533	11.5
97.10168	7.4
98.20789	3.6
99.08097	8.6
100.11270	2.1
105.04500	2.6
105.07039	57.1
107.04952	4.7
107.08599	41.5
109.06543	6.3
109.10161	21.8
111.08107	4.6
113.83739	1.6
117.07013	23.5
119.08588	38.8
121.06494	5.1
121.10149	23.9
123.08108	4.9
123.11732	5.8
125.09650	3.7
128.06247	4.6
129.07007	15.5
131.08575	34.2
133.10130	31.2
135.08051	4.2
135.11687	16.4
137.09639	4.0
137.13330	2.8
139.11194	2.1
140.87091	1.5
141.06964	2.4
142.07773	2.4
143.08551	13.1
145.10135	22.5
147.11694	16.9
149.09618	6.0
149.13274	15.1
149.51794	1.5
151.11205	6.0
155.08569	6.4
157.10110	10.7
159.11700	21.9
161.09671	2.0
161.13266	9.6
163.11214	6.3
163.14847	5.3
165.12767	3.1
169.10077	4.7
171.11685	12.2
173.13234	8.3
175.11186	2.5
175.14832	4.6
177.12776	5.0
179.14307	7.1
181.10262	1.9
183.11722	4.3
185.13274	6.3
187.11148	1.9
187.14894	4.5
189.12762	2.6
195.11908	1.9
195.13879	5.0
197.13319	4.0
199.14951	2.9
201.16342	2.1
209.13365	2.0
213.16533	2.6
223.14883	1.9
227.12741	2.0
229.14435	3.1
233.15282	1.7
239.17725	1.6
241.19511	4.0
243.21121	2.9
255.20934	1.7
257.19080	3.2
259.20569	7.5
261.22131	7.0
267.15894	2.1
269.17499	3.8
275.19965	4.0
277.21613	4.1
281.17554	2.1
327.22952	2.1
333.24234	5.3
335.25851	6.2
349.23676	4.3
351.25549	3.3
475.30463	4.6
517.40546	1.9
527.37317	5.3
529.38678	6.2
611.46112	8.2
627.46472	2.7
696.43799	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	696.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.8
55.01877	7.8
55.05270	2.6
55.05515	35.4
57.03438	16.2
57.07072	5.7
65.03934	3.6
65.68890	1.5
67.05509	98.9
68.05843	1.9
69.03417	4.5
69.07073	41.0
69.95029	5.6
71.04989	5.9
71.08632	14.3
71.70701	1.3
79.05494	75.2
81.03423	11.5
81.07062	100.0
83.04995	15.8
83.08625	24.0
85.02946	1.6
85.06560	7.1
91.04911	2.7
91.05485	66.9
93.07051	84.5
94.07360	1.6
95.04980	19.1
95.08612	50.0
97.06543	17.7
97.10184	11.8
98.20814	1.5
99.08088	13.3
103.04010	1.5
103.05470	1.3
105.04507	1.9
105.07036	47.4
107.04946	9.4
107.07870	2.5
107.08599	48.7
109.06529	10.2
109.10158	20.9
111.08090	8.5
113.09624	2.9
115.05464	2.7
117.07020	20.5
119.08581	34.0
121.06519	5.2
121.10153	25.4
123.04427	1.4
123.08080	5.7
123.11706	6.5
125.09647	11.4
126.41278	1.3
127.07561	1.7
128.06210	2.5
129.07005	9.8
131.08575	26.3
133.06535	1.5
133.10144	33.0
135.08076	6.9
135.11702	20.1
137.05998	8.9
137.09605	4.4
138.06329	2.0
139.11232	4.1
141.06941	2.5
141.12666	1.4
141.94347	1.4
142.07729	1.6
143.08595	7.7
145.06499	2.3
145.10132	20.4
146.96086	1.2
147.08051	2.2
147.11700	16.0
149.09624	11.6
149.13280	17.2
151.11211	15.6
155.08598	4.7
157.10097	7.6
159.11702	21.9
161.09564	2.4
161.13260	10.2
163.11201	13.2
163.14864	2.0
165.12741	3.5
167.08554	1.7
169.10144	4.7
171.11697	9.8
173.11853	1.9
173.13275	7.6
175.07407	1.6
175.11160	4.0
175.14871	2.5
177.12769	6.0
179.14261	6.6
181.12202	1.5
183.11734	2.7
185.13333	3.4
187.14856	2.4
189.11259	7.4
189.12727	1.6
193.12283	1.6
195.13785	8.9
197.13298	4.0
199.14850	3.3
201.16519	1.5
207.13832	1.4
211.14906	1.8
213.14751	2.2
213.16551	1.7
227.12813	15.8
229.14268	2.6
239.17970	4.0
241.19638	2.8
245.13702	2.2
247.20476	3.2
251.16321	3.8
253.18120	3.0
255.15787	8.9
257.19159	6.3
259.20660	3.9
267.16046	3.4
269.17474	31.7
275.20068	30.2
277.21652	18.8
293.21103	3.2
311.55469	1.4
321.24091	2.6
330.87036	1.5
331.22733	2.1
333.24475	2.2
343.05441	1.3
349.23718	17.2
351.25302	26.5
367.24765	4.9
406.97510	1.7
421.26062	2.6
423.27280	1.4
431.27786	3.7
445.29504	3.1
447.30939	2.4
449.28937	15.6
453.33383	2.0
463.30597	27.2
487.95313	1.5
515.37665	1.5
525.36365	3.2
527.37384	3.3
531.36456	4.4
543.36896	18.6
545.38391	20.8
561.37848	5.4
563.39117	2.2
580.41266	1.6
625.44263	3.0
643.45190	3.2
696.41223	4.7
697.42310	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	696.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.8
53.00280	0.9
53.03941	3.6
55.01876	5.5
55.05516	23.7
57.03444	7.1
57.07080	3.7
57.97696	0.7
60.05652	0.9
60.08149	2.7
65.03936	3.1
67.05510	45.7
69.03442	3.8
69.07072	21.5
71.04993	2.0
71.08637	26.4
79.05497	34.1
81.03436	4.4
81.07062	47.2
83.05000	8.5
83.08627	12.5
85.06528	3.3
85.10172	0.9
88.21133	0.8
91.05484	27.0
93.07046	36.6
95.04971	10.8
95.08613	20.9
97.06547	6.2
97.10164	7.5
98.21508	2.3
99.08096	20.3
105.04517	1.0
105.07042	19.9
107.04939	5.9
107.08602	23.2
108.05718	1.0
109.06543	4.5
109.09464	1.0
109.10165	11.0
111.08076	2.5
113.09631	0.9
115.05466	1.5
117.07035	9.4
119.08581	11.4
121.06499	7.0
121.10143	11.1
123.08071	2.3
123.11699	2.5
125.09645	6.9
128.06216	1.1
129.07013	5.1
131.08578	11.3
133.06573	0.8
133.10136	11.6
135.08066	3.8
135.11687	7.0
137.09610	2.0
139.11127	2.6
141.06976	1.2
143.08543	2.9
145.10132	6.4
147.10553	0.9
147.11646	5.6
149.09607	2.0
149.13268	10.2
151.11176	12.1
155.08611	1.4
157.10130	2.9
159.11699	6.4
161.09613	1.8
161.13226	3.8
163.11182	5.0
163.14848	1.4
164.11919	1.2
165.12747	2.5
167.10706	2.5
169.10141	1.7
169.12271	0.8
171.11653	3.2
173.11848	1.0
173.13263	3.2
175.11121	1.1
175.14801	2.2
177.12724	4.7
179.14323	3.1
183.11711	1.0
185.13298	2.6
187.14792	1.0
188.31888	0.8
189.11246	3.1
189.12727	1.0
195.13786	4.5
197.13158	1.0
199.14867	0.9
211.14856	1.3
227.12785	4.7
229.14278	0.9
229.19440	1.3
229.21704	1.0
241.19585	2.2
244.56938	0.9
247.20660	1.0
253.14272	1.0
257.19052	1.5
259.20612	3.8
267.15872	1.4
269.17499	10.6
275.20047	9.6
277.21591	8.9
293.21118	100.0
294.21478	2.5
333.24368	1.5
335.25989	1.7
337.02319	1.4
349.23773	2.5
351.25308	14.2
367.24783	22.5
368.24759	0.9
461.29251	1.0
463.30127	1.4
527.37183	1.7
543.36774	2.1
545.38019	1.7
561.37885	51.0
562.38086	1.9
581.24854	1.3
609.44745	1.3
611.35260	2.0
627.46375	1.0
637.30896	1.3
643.45697	9.3
661.46411	1.3
696.41351	1.8
697.42236	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	696.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42562	0.6
53.03939	1.3
53.40032	0.6
55.01871	1.0
55.05270	1.1
55.05513	14.7
57.03440	8.3
57.07077	9.2
61.02930	22.0
63.68942	0.6
65.03912	1.4
67.05509	63.3
68.05785	0.7
69.03420	2.9
69.07072	21.3
69.92854	3.1
70.06597	0.7
70.95229	0.6
71.04984	2.0
71.08638	3.5
73.02928	7.4
75.04471	1.1
79.05066	1.2
79.05493	15.6
81.03403	2.1
81.07059	81.6
83.04967	2.2
83.08620	20.2
85.02912	26.2
85.03434	1.2
85.06549	2.5
85.10157	2.1
91.03414	1.4
91.03959	23.0
91.05480	14.2
93.07048	20.0
95.04967	1.2
95.08611	65.0
95.51450	0.6
97.02892	13.7
97.06525	6.6
97.10175	12.8
99.04459	2.2
99.08091	3.3
101.02383	0.9
103.03932	0.9
104.01275	0.7
105.07039	9.4
107.08599	14.2
109.10159	34.6
110.10474	0.9
111.08110	3.4
111.11720	3.5
113.09665	2.0
115.03948	2.2
117.05483	0.6
119.08585	11.4
121.10144	20.3
123.08065	1.4
123.11713	19.9
125.09601	2.5
125.13271	1.5
127.03931	8.6
131.08620	0.7
133.10135	13.6
135.11687	11.8
137.09612	1.8
137.13251	8.5
139.11172	1.1
141.12730	2.7
145.04953	11.7
147.11696	9.9
149.13252	10.2
151.11163	1.9
151.14833	8.5
151.39136	0.7
153.12814	1.2
155.14354	3.1
161.13263	12.9
163.06024	19.2
163.14828	11.1
165.12711	1.5
165.16386	10.1
175.14835	10.1
177.16391	2.3
179.14297	2.0
179.17943	7.3
181.15884	1.5
189.16338	4.8
203.17929	1.2
205.19324	0.7
210.18437	0.7
217.19466	1.3
223.13248	0.9
245.22659	62.3
246.22925	0.9
263.23706	100.0
264.23972	1.5
265.25378	2.0
280.68539	0.6
281.24734	2.9
337.27380	71.6
338.27689	1.2
347.05838	0.8
355.28485	17.8
356.29111	0.8
499.32693	5.9
696.36450	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	696.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
55.01868	1.5
55.05513	12.3
56.59998	0.9
57.03448	6.5
57.07080	7.3
58.40094	0.7
61.02930	21.4
63.15993	0.7
65.03954	1.4
67.05510	54.7
69.03445	3.9
69.07072	18.5
71.04988	2.7
71.08636	4.7
71.17631	1.5
73.02919	9.0
79.05502	12.9
81.03413	2.0
81.07064	71.6
83.04989	1.1
83.08627	15.2
85.02914	27.4
85.06545	2.7
85.10181	2.9
87.04487	1.0
91.03959	20.6
91.05495	11.7
93.07050	19.2
95.04991	1.3
95.08614	62.5
97.02898	10.8
97.06519	5.6
97.10175	12.3
99.04452	1.3
99.08099	3.1
105.07038	9.0
107.08600	15.2
109.06506	1.0
109.10165	32.9
111.08080	1.6
111.11751	2.7
113.09634	2.3
115.03922	1.1
119.08598	9.7
121.09326	1.4
121.10155	20.8
123.08044	1.0
123.11716	19.0
125.09644	2.4
125.13321	1.2
127.03941	9.4
127.11192	0.8
131.08568	1.3
133.10136	13.6
135.11707	11.6
137.09612	1.8
137.13266	7.7
139.11172	1.7
141.12735	2.3
145.04980	11.2
147.11693	8.9
149.13278	9.4
151.11253	0.9
151.14819	5.2
153.12686	0.9
155.14299	2.1
159.11665	0.9
161.13278	13.5
163.06046	20.9
163.14833	8.9
165.12807	0.9
165.16400	7.8
167.14421	1.2
175.14857	9.4
177.16423	1.9
179.17981	6.7
181.15906	1.8
189.16385	4.9
193.15855	1.5
203.17986	1.4
217.19615	1.1
245.22667	61.4
246.22858	0.8
247.24266	1.1
263.23721	100.0
264.24045	1.0
264.45425	0.8
265.25266	2.4
281.24728	3.7
337.27377	47.9
349.16980	1.0
355.28442	12.3
426.93082	0.9
499.32758	1.1
588.42041	0.8
589.03369	0.8
696.30566	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32913	0.1
57.03446	0.8
67.01855	0.4
68.99806	0.3
69.03416	0.5
69.07056	0.2
70.06588	0.3
71.04997	4.1
71.53697	0.2
72.08165	0.2
73.02908	0.4
74.03584	0.1
75.04470	0.2
76.86600	0.1
79.05431	0.2
81.55718	0.2
83.04984	0.2
85.02908	5.0
87.83518	0.2
91.05484	0.3
93.07023	0.3
94.15091	0.2
95.04977	0.2
97.02905	0.8
98.32973	0.2
101.65258	0.2
103.05485	0.5
105.03420	0.2
109.02912	0.2
111.04456	0.3
115.03925	0.4
119.04923	0.2
127.03921	0.6
129.03380	0.3
129.05469	1.0
137.06012	0.3
144.38692	0.1
145.04915	0.2
147.04425	0.9
147.06506	0.3
148.04762	0.2
153.01830	1.9
155.24998	0.2
170.11742	0.2
171.02827	0.2
177.05528	0.2
187.07587	0.2
204.29602	0.1
209.06009	0.3
231.06609	0.2
255.06526	100.0
256.06857	1.7
285.02545	0.2
285.07547	0.6
289.30298	0.2
297.07712	0.2
417.11862	1.8
429.93536	0.2
549.16046	4.5
613.23083	0.2
645.24957	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	694.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
55.05513	17.0
57.03440	6.4
57.07072	3.4
65.03942	2.8
67.05512	58.0
69.07079	22.6
71.05008	8.2
79.05499	40.4
79.05958	2.5
81.03419	2.7
81.07063	54.5
83.05000	4.2
83.08627	13.6
85.06541	3.7
91.04955	1.3
91.05479	31.7
93.07050	47.7
95.04989	3.4
95.08613	32.8
95.09181	3.0
97.06551	7.7
97.10179	7.7
98.20619	2.7
105.07030	25.0
107.04994	3.0
107.08599	28.3
109.06545	4.6
109.10181	18.7
111.08121	3.2
117.07020	8.2
119.08593	15.3
121.10155	17.2
123.08119	2.2
123.11733	5.8
125.09611	4.2
129.06998	4.3
131.08595	11.7
133.10143	17.1
135.11707	10.5
140.57990	1.8
143.08620	3.3
145.10144	10.6
147.11673	8.1
149.09636	4.9
149.13300	7.5
155.08624	2.0
157.10233	2.9
159.11713	9.8
161.13254	5.7
163.11234	2.2
163.14828	2.5
171.11749	1.8
173.09528	1.6
173.11897	2.9
173.13283	5.5
179.14336	1.8
187.14937	3.2
189.11293	2.6
197.13225	2.1
227.12863	6.5
229.14323	10.6
229.47581	1.8
257.19122	5.8
258.39532	1.8
259.20612	2.8
261.22192	4.5
275.20135	14.5
290.15454	1.7
293.21182	2.2
331.22736	2.6
335.25824	23.5
337.27325	2.9
349.23697	12.0
351.86575	2.0
406.17572	3.4
408.22925	4.0
421.20090	3.1
422.20587	2.7
434.20822	3.4
435.21695	3.8
436.22214	6.0
448.22244	1.9
450.19974	3.2
460.22192	2.5
464.21573	2.2
489.35889	7.2
511.37595	2.2
522.26056	6.6
522.38770	3.7
529.38928	94.1
530.39081	3.7
547.29785	2.8
609.45166	10.7
634.34595	14.3
641.47327	6.0
653.28143	2.0
694.36774	100.0
695.36591	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	694.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	10.4
54.98373	3.7
55.01862	11.3
55.05515	31.4
57.03431	9.3
57.07074	5.2
65.03944	4.2
67.05509	99.8
67.65247	3.7
69.03442	4.4
69.07079	30.0
71.05006	7.8
71.08627	11.0
79.05069	4.2
79.05502	55.3
79.05925	6.7
81.03429	10.1
81.07063	100.0
83.04980	14.8
83.08618	13.6
85.06544	5.8
91.05490	66.8
93.07050	69.0
95.04977	15.6
95.08607	54.2
97.06535	10.5
97.10171	4.3
98.20745	9.4
99.08114	11.0
105.07044	48.9
107.04954	5.6
107.08602	53.9
109.06512	11.3
109.10162	54.6
111.08109	6.1
117.07029	18.3
119.08590	25.0
121.06509	11.5
121.10158	19.9
123.08091	11.4
123.11698	14.0
125.09654	8.6
128.06255	4.9
129.07005	8.5
131.08574	21.9
133.10139	62.3
135.08080	10.7
135.11697	18.6
137.09631	8.8
139.11201	5.8
143.08572	11.2
145.10110	17.3
147.08098	6.0
147.11681	16.0
149.09576	7.3
149.13295	7.6
151.11188	28.4
157.10179	8.0
159.08098	3.8
159.11667	13.6
161.09657	7.9
161.13237	12.5
163.11241	6.1
163.14838	5.7
171.11719	4.6
173.09653	6.5
173.13286	8.5
175.14847	5.1
177.12753	7.1
177.16393	4.0
179.10559	4.9
179.14369	4.9
183.11812	3.7
186.02382	3.5
187.14851	6.8
192.06645	3.9
195.13832	4.1
209.11745	3.8
215.17896	4.5
237.18462	4.2
243.21094	5.7
253.14362	56.2
259.20563	5.0
261.22125	12.8
269.17648	4.3
273.18570	7.3
275.19977	17.6
277.21457	5.1
278.69958	3.7
289.18024	4.5
291.19583	12.0
293.21143	54.0
333.24133	6.9
335.25742	35.7
335.62613	3.7
349.23785	10.2
351.25412	9.2
363.21530	6.4
365.23343	9.3
367.24826	16.8
447.26941	4.4
468.09134	3.9
513.35834	5.5
530.12146	4.3
531.36609	5.8
559.36047	8.6
610.33154	4.2
625.44556	15.2
627.45972	5.5
641.44031	17.5
695.43506	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	694.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54306	1.6
53.03941	7.2
55.01865	7.1
55.05265	3.1
55.05512	38.8
55.30359	1.8
57.03447	10.4
57.03668	1.6
57.07060	3.4
63.75566	1.6
65.03941	6.6
67.05507	100.0
69.03430	6.6
69.07066	36.9
70.38504	1.6
71.04973	5.7
71.08641	10.6
73.02901	1.6
79.05493	78.2
80.24638	1.9
81.03422	9.5
81.07057	91.4
82.10119	2.0
83.04995	13.6
83.08617	16.2
85.06549	5.5
91.05483	79.9
93.07046	77.2
95.04965	18.2
95.08607	52.2
97.02872	3.3
97.06524	12.0
97.10178	11.4
98.09676	3.3
99.08088	8.0
105.04507	3.9
105.07037	63.4
107.04958	9.4
107.08599	43.7
109.06564	9.7
109.10152	23.3
111.08099	4.6
115.05464	4.9
117.07022	30.5
119.08582	53.1
120.99390	2.1
121.06516	7.2
121.10144	26.0
123.08075	8.2
123.11684	9.2
125.09615	8.0
128.06189	3.7
129.07005	14.2
130.07809	3.9
131.08580	31.6
133.06476	2.7
133.10133	30.9
135.08080	5.4
135.11703	19.3
137.09610	6.4
141.07004	4.4
142.07806	3.2
143.08557	13.7
145.10121	24.6
147.11699	24.9
149.09607	6.9
149.13254	12.0
151.11188	5.6
155.08537	7.4
157.10188	10.2
159.08084	2.0
159.11693	20.2
161.09628	3.0
161.13252	11.8
163.11212	6.9
165.12743	2.1
167.08589	2.5
169.10120	6.2
171.11685	10.6
173.13193	11.4
175.11168	3.1
175.14819	2.9
177.12764	4.5
179.14313	6.0
181.10127	2.7
183.11673	6.5
185.13245	5.7
187.11119	2.6
187.14827	4.6
189.11191	3.9
189.12772	2.6
195.11818	3.0
195.13858	4.1
197.13329	4.6
199.14870	5.0
213.16316	3.5
223.13322	5.9
227.12901	3.3
241.19530	6.4
243.21075	2.4
257.18906	5.9
259.20551	12.0
261.22247	3.5
269.17551	2.8
273.18436	5.1
275.20151	9.6
277.21698	5.7
281.17526	2.2
291.19525	35.1
292.76761	2.1
293.21130	38.2
333.24298	7.2
335.25803	13.4
336.26147	2.1
349.23685	4.1
351.25348	2.0
365.23242	7.2
367.24692	6.4
475.30273	4.0
527.37219	7.5
559.36176	5.8
561.37451	4.2
609.44885	7.6
625.44647	13.4
641.43732	2.1
684.02777	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	694.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.9
53.03953	7.5
55.01886	9.6
55.05514	41.8
57.03234	1.2
57.03444	13.2
57.07068	5.1
59.05005	3.0
59.22390	1.3
65.03925	5.0
67.05509	100.0
69.03422	5.9
69.07073	47.4
69.20607	2.7
69.21021	10.3
71.04994	7.1
71.08630	7.3
72.45649	1.4
79.05499	80.8
81.03416	11.0
81.07063	94.1
83.04987	14.9
83.08620	19.0
85.02912	2.1
85.06545	3.4
91.05487	77.5
93.07052	83.8
95.04980	20.3
95.08614	49.6
97.02897	3.3
97.06535	13.3
97.10172	14.3
98.09678	2.1
99.08117	9.2
103.05429	2.6
105.04562	2.4
105.07037	65.5
107.04959	11.8
107.08601	43.2
108.08954	1.5
109.06535	11.6
109.10171	20.2
111.08116	8.0
113.09647	1.5
115.05454	3.9
116.06221	2.9
117.07031	27.9
119.08586	47.2
121.06532	6.4
121.10157	20.5
123.04469	1.3
123.08092	8.2
123.11716	6.5
125.09637	7.8
128.06194	3.2
129.07018	13.2
131.08568	34.7
133.06470	3.2
133.10139	38.6
135.08054	5.8
135.11693	20.2
137.05934	1.9
137.09625	5.6
139.11179	2.0
141.06955	3.8
142.07785	2.9
143.08571	14.5
144.09290	1.3
145.06532	1.3
145.10129	26.2
147.08005	3.8
147.11696	21.8
149.09613	10.8
149.13280	16.2
151.11217	7.5
151.12256	1.3
153.06999	1.4
155.08534	7.2
156.51563	1.7
157.10130	15.4
159.07983	1.6
159.11697	20.0
161.09630	3.0
161.12427	1.1
161.13300	10.8
163.11220	9.9
165.12769	3.9
167.08598	1.9
168.09465	1.4
169.10164	7.5
171.11693	12.7
173.11858	2.2
173.13275	8.6
175.11246	3.4
175.14854	5.0
177.12749	5.8
179.14270	4.1
181.10117	2.6
181.12306	1.9
183.11742	7.0
185.13235	7.3
187.11101	2.3
187.14833	4.7
189.11185	3.4
189.12720	2.1
189.16389	2.1
191.14326	1.6
193.12213	1.5
195.11807	1.9
195.13835	5.3
197.13293	4.0
199.14832	4.7
201.12746	1.8
203.17818	1.4
205.12352	1.5
209.13232	2.9
211.14877	2.5
215.18018	1.5
223.13246	8.3
225.16360	2.6
227.12859	6.5
229.14355	1.8
229.19478	1.8
233.15363	1.8
233.19063	1.6
237.16469	1.9
239.17897	2.0
241.19547	5.4
245.18979	1.5
247.20705	1.7
253.14328	3.0
255.15970	4.8
257.18997	6.1
259.20526	10.5
267.15970	2.4
269.17438	15.5
273.18442	6.1
275.20087	23.8
277.21661	4.6
291.19562	38.4
293.21143	31.4
304.10846	1.3
315.23294	3.0
331.22986	1.8
333.24295	9.7
341.98401	1.3
347.22311	2.7
349.23648	11.5
351.25406	7.5
365.23260	12.0
367.24838	7.0
405.31519	1.6
433.31030	1.6
435.32312	1.4
444.83871	1.4
461.29059	1.5
463.30835	2.6
477.37491	1.6
481.44955	1.7
513.35797	6.9
525.35394	1.4
527.37433	8.9
533.39233	2.1
543.36676	3.8
547.36212	4.1
559.36273	26.4
561.38062	8.8
567.40240	2.1
607.43549	3.6
625.44562	6.6
641.44550	9.5
695.40820	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	694.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01868	1.7
55.05522	6.8
56.56388	0.8
57.03444	8.7
61.02924	1.4
62.40414	0.7
67.05186	1.6
67.05512	22.7
69.03423	2.1
69.07082	5.9
71.01347	2.1
71.04984	3.0
73.02911	0.9
79.05075	1.2
79.05501	16.0
81.03426	39.2
81.07062	16.9
83.05006	5.3
83.08614	9.8
85.02888	2.3
85.06564	1.4
86.09671	1.8
91.05488	12.4
92.71555	0.8
93.06477	1.4
93.07053	21.4
95.04982	13.8
95.08622	4.9
97.02892	1.8
97.06548	5.6
97.10197	5.3
99.08075	1.0
105.07039	6.9
107.04968	3.9
107.08592	13.3
109.06520	2.3
109.10187	4.0
111.04423	1.4
111.08089	3.9
117.07012	2.4
119.08595	9.5
121.06517	2.5
121.10101	4.6
123.04428	3.4
123.08049	1.2
123.11648	1.2
125.09635	1.5
129.06990	4.5
131.08574	4.9
133.06427	1.5
133.10139	4.2
135.08009	1.1
135.11699	25.4
137.05991	8.0
137.09618	1.8
145.10143	5.1
147.04378	1.7
147.08038	1.6
147.11652	4.2
149.09627	2.3
149.13260	0.9
157.10132	4.2
163.07515	1.8
163.11176	3.1
165.12723	0.9
175.11200	5.0
181.12230	3.8
184.07370	1.5
185.06046	0.9
189.05484	1.2
193.12288	11.9
211.13274	2.2
223.13365	1.1
235.13341	2.6
249.14861	1.5
255.15936	56.9
261.42477	0.8
267.15936	37.2
269.17575	2.4
277.14468	1.7
301.14188	2.1
319.15427	1.3
337.16711	1.2
355.17392	1.3
363.12103	1.2
403.24783	1.3
419.81219	1.0
421.25931	7.3
447.27457	100.0
448.27759	1.9
453.28497	1.8
461.28668	1.9
465.28680	4.9
479.30338	3.9
489.28473	1.7
497.30847	2.3
531.23944	1.3
694.25922	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.3
57.07075	0.8
67.05510	2.7
69.07070	1.7
70.85429	0.4
71.08646	0.8
78.84727	0.5
79.05497	1.6
81.07065	3.3
83.08623	1.2
91.05503	1.7
93.07042	2.6
94.90053	0.5
95.08619	2.2
97.10208	0.6
105.07047	1.9
107.08597	1.1
109.10136	1.0
110.64882	0.5
117.07053	0.5
119.08602	1.6
121.10157	1.4
123.11721	0.8
131.08534	0.9
133.10133	0.7
135.11717	1.1
145.10089	0.6
147.11717	1.6
151.48698	0.4
157.10197	0.5
161.13358	0.6
165.12831	0.7
179.14302	0.7
267.16003	1.0
277.21616	0.7
316.14301	0.6
338.16443	0.5
348.26181	0.5
360.99011	0.4
376.58102	0.5
377.17725	1.7
378.18777	0.5
379.19342	1.0
391.19305	2.1
392.20105	1.0
393.20889	1.5
404.16290	0.5
405.16479	2.6
405.21524	1.0
406.17984	1.4
407.22620	4.9
417.20313	0.6
419.18341	3.8
420.19104	2.2
421.20367	4.0
423.22000	1.0
433.20126	3.2
434.21024	4.0
435.21924	7.4
436.22476	0.8
445.20514	0.9
447.21979	1.4
449.19662	4.9
459.21805	3.6
460.22620	1.4
461.23489	1.8
463.21356	2.0
464.22382	1.1
493.22086	0.7
519.23773	1.1
521.25653	12.0
521.37805	4.9
531.27386	0.5
533.29279	1.3
535.23651	0.6
545.29413	1.3
546.30261	2.9
547.30750	2.5
549.25128	0.8
581.27881	3.4
591.29718	1.1
606.27942	0.9
633.34424	15.4
634.34479	0.6
661.34088	0.6
693.36420	100.0
694.36652	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	692.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.8
53.03945	3.7
55.01876	8.9
55.05515	28.8
57.03446	10.7
57.07093	1.7
59.05006	1.0
61.02919	1.3
65.03932	3.6
66.41944	0.7
67.05510	52.3
68.05835	1.0
69.03432	12.3
69.07072	42.6
69.36276	4.4
69.36686	1.7
71.04988	3.7
77.03915	0.9
79.05500	48.3
81.03432	8.1
81.07062	59.3
82.07385	1.0
83.04994	11.1
83.08628	14.7
84.04531	0.8
85.02911	1.7
85.06540	4.0
91.04916	1.3
91.05487	37.8
93.07052	42.7
95.01371	0.8
95.04974	12.6
95.08614	26.0
97.02904	10.1
97.06538	12.9
97.10175	13.0
99.04494	0.9
99.08130	1.6
100.62661	0.9
103.05508	2.2
105.04520	1.4
105.07037	30.4
107.04958	8.8
107.08599	25.9
108.05772	1.0
109.02886	1.3
109.06517	7.2
109.10168	14.7
111.04442	1.7
111.08102	3.3
113.05958	1.0
113.09613	1.4
115.05475	2.2
116.06245	1.1
117.07027	15.4
118.08703	1.1
119.04912	1.9
119.08591	23.0
121.06499	5.9
121.10147	12.2
123.04405	1.1
123.08082	4.3
123.11734	3.1
125.09651	10.7
128.06259	2.3
129.06984	5.2
130.07776	1.0
131.08595	15.7
133.06502	3.4
133.10147	17.9
135.08067	6.6
135.11710	10.4
137.09602	5.4
141.06981	1.6
142.07840	1.1
143.08575	5.6
145.06497	1.4
145.10127	12.4
147.08080	6.2
147.11676	7.1
149.09631	10.8
149.13271	7.7
151.11194	4.5
153.09050	1.0
155.08569	2.6
157.10158	5.9
159.11699	9.8
160.12106	0.8
161.09581	3.8
161.13292	4.4
162.10353	1.1
162.22440	0.8
163.11197	8.5
165.09158	1.6
169.10179	2.0
171.10396	1.0
171.11626	4.2
173.09651	1.0
173.11882	1.5
173.13290	5.2
175.11212	1.7
175.14751	0.8
177.12755	3.1
179.14322	1.4
181.10085	0.9
181.12216	1.4
183.11702	1.9
185.13310	2.2
187.11113	1.0
187.14854	1.3
189.11235	4.2
189.12631	1.4
193.12263	1.3
195.13789	3.6
197.13264	1.5
205.12251	2.2
213.73399	0.8
223.13293	15.9
227.12727	6.4
229.19489	1.2
239.17947	2.4
245.19099	2.1
247.20631	1.8
249.14915	3.1
251.16438	2.1
253.14313	5.1
255.15787	8.6
257.19055	6.6
263.20175	1.1
267.15891	1.9
269.17484	12.4
273.18552	13.3
275.20068	16.9
278.72107	0.8
291.19562	100.0
292.19864	3.1
293.21234	1.2
329.21243	0.9
347.22162	2.2
349.23767	16.3
365.23251	33.4
367.24603	1.9
379.27197	1.1
404.28912	1.0
414.18030	1.3
461.28745	1.7
484.71786	1.1
520.37317	1.0
541.35059	1.8
545.34631	13.2
559.36322	48.6
621.41534	1.0
639.42725	11.2
657.43390	2.1
692.40686	23.5
693.40070	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	692.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
53.36824	1.0
55.01865	5.2
55.05515	30.5
57.03435	18.4
57.07056	2.6
59.04983	3.2
61.02922	5.6
65.03925	3.3
66.49186	0.9
67.05511	100.0
69.03437	4.8
69.07071	18.2
70.97556	2.4
71.01348	1.9
71.05001	6.2
71.87057	0.9
73.02910	4.7
79.05496	40.4
81.03426	12.8
81.07060	73.9
83.04988	10.9
83.08629	21.2
85.02448	1.1
85.02913	13.5
85.06537	5.3
87.04480	3.3
91.03947	3.7
91.04913	1.3
91.05485	28.0
93.07048	43.2
95.04965	6.8
95.08607	19.9
97.02908	7.7
97.06537	11.0
97.10173	13.2
99.04424	1.2
99.08089	2.3
103.03931	1.2
105.04526	1.4
105.07038	11.2
107.05004	5.2
107.08604	27.3
109.06487	2.5
109.10163	48.9
111.04396	1.3
111.08107	5.8
113.06027	1.2
114.16289	1.0
116.04710	1.1
117.07012	9.9
119.08574	9.9
120.79053	1.0
121.06503	3.2
121.10143	11.5
123.08048	3.0
123.11713	4.3
125.09644	13.5
127.03910	1.3
129.05469	3.8
129.07013	1.7
131.08577	11.0
133.10152	14.6
135.08119	1.5
135.11694	11.4
137.09619	3.2
139.11133	1.2
143.10666	1.9
145.10115	5.9
147.08101	1.5
147.11687	4.2
149.09593	2.1
149.13269	14.2
151.11211	1.8
153.12744	3.3
155.10638	5.6
157.10165	1.9
159.11690	8.6
163.11215	8.0
165.12762	3.2
173.09564	1.6
173.11757	13.5
175.11174	1.7
177.12775	5.1
181.12236	2.3
189.11220	1.9
191.10661	3.0
193.12219	3.6
195.13785	14.2
199.13333	7.5
209.11772	7.9
211.13341	3.2
213.14833	3.1
217.44202	1.0
227.12752	6.9
229.14372	53.5
239.16382	3.1
257.13831	1.5
267.15927	7.7
269.17499	69.8
270.17789	1.0
283.15295	5.0
285.17017	1.1
287.65952	1.1
297.16937	2.2
301.13348	1.7
301.16504	20.0
313.16150	1.0
393.26315	2.0
411.27277	6.6
423.27438	45.1
431.28116	1.7
437.28812	4.1
449.28851	1.5
463.30450	8.5
477.27991	2.4
495.29370	51.1
513.23578	1.7
513.30566	19.9
591.81531	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
55.05517	34.4
57.03431	21.3
57.07060	2.9
57.68389	0.9
59.04996	4.5
61.02924	7.8
61.25132	1.0
64.82677	1.1
65.03936	2.5
66.66805	1.0
67.05508	100.0
69.03415	3.8
69.07075	19.4
69.46603	1.1
70.80968	1.7
71.01389	1.9
71.05004	5.9
73.02911	5.2
79.05498	42.2
81.03426	14.4
81.07060	77.0
83.01344	1.9
83.04984	10.3
83.08156	1.7
83.08625	23.4
85.02905	17.6
85.06561	4.9
87.04474	5.2
91.03933	3.5
91.05485	27.0
93.07050	44.1
95.04984	8.7
95.08615	22.7
97.02882	8.3
97.06540	8.8
97.10172	16.7
99.04467	1.6
99.08125	2.4
103.03945	1.5
105.07047	12.4
107.04943	4.1
107.08603	34.6
109.02850	1.0
109.06521	3.8
109.10162	56.2
111.04462	2.4
111.08088	6.4
117.06275	1.6
117.07009	8.4
119.08582	10.4
121.06506	2.9
121.10149	10.5
123.08093	2.4
123.11726	3.8
125.09633	12.5
127.03915	1.9
127.07574	1.5
129.05524	5.0
129.07039	1.7
131.08575	11.3
133.10143	14.2
135.08031	1.7
135.11717	11.7
137.09660	3.1
143.10655	1.8
145.10135	4.7
147.08034	1.3
147.11661	6.3
149.09659	2.4
149.13272	12.6
151.11197	2.2
153.12761	2.8
155.08575	1.3
155.10692	6.7
157.08633	1.4
157.10114	2.1
159.11725	8.6
163.11177	8.8
163.31366	0.9
165.12753	2.6
173.09648	2.4
173.11737	12.5
175.11205	1.9
177.12726	5.1
181.12201	2.1
191.10683	4.5
191.71413	1.1
193.12265	4.8
195.13818	15.9
199.13295	6.7
201.15268	1.2
201.81757	1.1
209.11792	7.7
211.13301	3.4
213.14827	3.7
227.12758	8.4
229.14365	53.5
239.16428	3.8
251.16014	1.0
257.13776	3.0
265.14423	1.1
267.15976	8.9
269.17487	70.9
283.15442	6.5
285.16818	2.0
301.16483	20.7
352.07397	1.1
357.24280	1.5
393.26416	2.6
411.27585	8.0
423.27463	43.4
424.27426	1.4
431.27716	1.7
477.28348	2.5
495.29553	70.2
496.29849	2.7
513.30688	31.5
530.35547	1.1
632.24792	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
55.05516	35.4
55.05788	2.0
57.03156	1.4
57.03430	19.9
57.07079	2.5
59.05004	3.4
61.02927	7.7
61.96758	0.8
65.03941	2.6
67.05508	100.0
69.03432	3.9
69.07070	17.9
71.01340	1.7
71.04997	6.1
73.02373	0.8
73.02918	6.3
79.05497	42.5
81.03419	14.7
81.03875	1.7
81.07061	76.5
83.04984	11.1
83.08146	1.8
83.08624	27.3
85.02911	19.8
85.06549	5.7
87.04467	6.9
91.03962	4.4
91.04908	1.3
91.05486	28.4
93.07046	48.5
95.04968	7.5
95.08609	23.7
97.02897	8.5
97.06532	11.5
97.10173	15.4
97.93003	0.9
99.04488	1.2
99.08104	2.4
103.03987	1.4
105.07044	12.9
107.04959	5.2
107.08598	32.4
107.09307	2.0
109.06501	4.5
109.10162	59.2
111.04458	2.5
111.08086	6.3
113.06033	0.9
116.04705	1.2
117.07017	9.9
119.08580	12.8
121.06525	3.0
121.10140	12.4
123.08051	3.4
123.11715	3.5
123.34882	1.0
125.09631	17.2
127.03907	1.5
127.11182	1.3
129.05505	6.9
129.07008	2.5
131.08578	10.5
133.10132	14.0
135.08040	2.6
135.11691	12.2
137.09634	3.6
143.07059	1.6
143.10680	3.8
145.10161	6.7
147.08029	1.2
147.11665	4.9
149.09607	1.7
149.13275	16.0
151.11151	2.2
153.12729	4.3
155.10672	7.1
157.08681	1.5
157.10153	2.2
159.11685	8.6
163.11180	10.4
165.12782	2.8
167.14258	1.0
171.10159	1.2
173.09608	1.8
173.11757	13.9
175.11259	1.0
177.12686	4.6
181.12271	3.7
183.94397	0.8
185.11736	2.2
189.11311	1.8
191.10681	2.9
193.12260	5.8
195.13820	17.8
198.11832	0.9
199.13283	8.7
203.12689	0.8
209.11760	8.5
211.13251	4.9
213.14842	2.1
227.12802	9.7
229.14355	60.4
239.16460	5.1
257.13821	1.1
265.14346	1.2
267.15936	13.4
269.17484	71.7
270.17838	1.2
283.15421	7.8
285.16901	1.5
288.14877	0.9
297.16971	1.4
301.16431	20.3
301.19571	1.4
313.16470	1.2
323.18732	1.6
357.24301	2.3
393.26248	2.5
411.27359	7.8
422.26694	1.0
423.27451	45.0
424.27243	1.3
431.28104	3.8
449.29196	1.9
477.28363	3.3
495.29547	81.2
496.29913	2.3
513.30615	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	691.441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	3.3
51.46564	2.2
51.71969	2.0
53.03949	11.2
55.01869	6.9
55.05518	31.3
57.03442	16.0
57.07075	5.2
65.03941	4.3
67.05510	86.9
69.03431	21.6
69.07079	24.8
69.26964	19.6
71.04993	11.7
73.02895	2.8
77.87354	2.1
79.05496	58.7
81.02985	4.0
81.03424	49.1
81.07065	100.0
83.04989	27.0
83.08627	16.7
85.02922	5.0
85.06534	3.2
91.05483	54.5
93.07047	67.5
95.05007	11.5
95.05495	2.1
95.08615	52.0
97.02883	14.8
97.06528	9.7
97.10153	7.5
97.50312	2.3
98.20782	4.3
99.04454	7.3
99.08102	3.2
103.05515	2.6
105.07040	38.9
107.04942	6.7
107.08608	37.7
109.02882	7.4
109.06526	3.8
109.10159	23.2
111.04440	7.9
111.08085	3.3
112.42215	2.1
115.05335	2.3
117.07024	19.6
119.08589	32.5
121.06471	4.7
121.10150	31.5
123.08101	2.9
123.11702	8.5
124.47002	2.4
126.71352	2.4
127.03896	6.0
127.07536	2.9
129.05469	11.5
129.06992	10.7
131.08585	21.8
133.06508	3.6
133.10155	23.7
135.08076	3.0
135.11691	16.6
137.05965	3.3
137.09616	6.3
142.07768	3.6
143.08542	9.4
145.06471	3.0
145.10109	13.5
147.07988	3.3
147.11717	18.7
149.09633	4.0
149.13243	19.3
151.11047	2.9
155.08560	6.1
157.10112	6.8
159.08064	4.4
159.11671	12.5
161.09657	2.8
161.13231	4.3
163.11235	4.3
165.12769	6.2
171.11691	3.7
173.13255	7.2
175.11327	4.3
177.12808	6.4
180.51294	2.6
181.10115	3.3
181.12289	2.6
183.11652	4.0
185.13242	4.6
187.14810	4.1
191.10616	2.7
193.10179	2.7
195.13853	8.7
197.13065	2.9
199.14828	2.4
209.43771	2.8
213.14853	3.0
228.03828	2.6
253.14255	2.8
257.18875	2.4
261.21970	6.2
267.15891	6.8
269.17505	30.0
285.95059	2.4
291.19620	3.5
301.21579	3.0
335.25861	43.0
337.27341	6.2
339.18048	3.6
351.23135	4.6
363.25220	2.7
369.24164	8.2
387.25308	4.3
395.20596	2.7
405.26443	3.1
413.21646	4.7
461.28806	3.2
479.29892	4.3
511.37524	2.5
519.36768	7.1
529.31500	4.1
529.38953	57.5
547.39435	5.5
579.36267	9.3
637.40808	6.9
655.41681	3.5
673.43286	23.3
691.44537	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	691.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.01877	12.1
55.05516	20.0
57.03442	14.7
61.02649	1.9
61.02930	25.1
65.03931	1.7
67.05508	39.6
69.03141	1.4
69.03436	15.7
69.07079	21.6
69.35843	9.0
70.06592	1.8
71.01366	1.8
71.05016	6.0
71.05343	1.3
73.02929	9.3
79.05502	38.5
81.03420	19.3
81.07065	42.4
83.04988	11.1
83.08625	13.3
85.02911	30.9
85.06524	4.2
86.09727	1.2
91.03967	14.0
91.05485	31.8
93.07050	39.0
95.04981	9.1
95.08612	21.3
97.02901	23.5
97.06538	16.4
97.10179	15.6
99.04460	4.1
99.08073	2.4
101.02354	2.1
103.03960	2.4
105.07037	29.4
107.04960	10.2
107.08604	34.3
109.02872	6.7
109.06514	5.5
109.10171	19.4
111.04456	3.0
111.08078	5.6
117.07037	12.4
119.08589	20.9
121.06506	5.2
121.10175	14.4
123.08062	3.3
123.11703	4.5
125.09634	14.7
127.03924	10.5
129.05507	2.7
129.07042	6.2
131.04851	1.3
131.08572	16.9
132.08858	1.3
133.10132	24.1
135.08070	5.0
135.11723	8.1
137.05998	1.8
137.09605	2.7
137.13240	1.3
141.06963	1.5
143.08539	3.6
145.04964	4.8
145.06450	1.7
145.10124	14.6
147.08130	1.5
147.11697	10.3
149.09628	11.9
149.13283	9.6
150.76538	1.1
151.11205	2.6
153.09094	2.4
155.08531	1.9
155.10648	2.0
157.10173	6.8
159.11684	17.6
161.09663	2.2
161.13240	4.7
163.05992	2.5
163.11200	8.2
165.09181	2.0
165.12779	1.7
169.10135	3.4
171.10146	5.4
171.11653	3.3
173.04475	3.6
173.11737	4.6
173.13248	5.5
175.11102	1.5
177.12735	9.7
179.14265	4.1
183.06552	3.1
183.11694	2.1
185.13257	1.6
187.14766	1.5
189.11198	12.9
189.12732	1.8
191.14290	1.9
193.12245	3.0
195.13799	5.6
197.13123	1.5
207.10123	1.4
209.11696	1.4
219.13689	1.7
227.12822	14.4
229.14284	12.0
239.17958	3.5
243.15845	1.2
245.13809	8.7
247.20634	2.1
251.16341	2.6
253.14322	1.4
253.18010	2.0
257.18988	9.2
267.16016	2.8
269.17496	48.2
275.20074	37.2
285.07651	2.7
293.21008	4.2
324.16495	1.4
331.22641	3.4
338.94107	1.3
341.20966	1.7
349.23758	100.0
350.23938	1.8
367.24832	26.8
368.25302	1.2
377.19424	2.3
383.22049	2.0
389.17960	2.6
391.24762	3.8
395.20685	2.3
413.21811	9.6
433.25601	3.2
475.26740	4.7
493.28061	7.6
511.29181	17.5
720.49060	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	691.441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.0
55.01862	6.3
55.05515	28.3
57.03444	15.3
57.07071	4.1
65.03936	6.0
67.05507	83.4
69.03433	21.0
69.07073	30.3
71.04986	10.4
71.53330	5.0
77.31219	2.9
79.05501	53.5
81.03429	32.0
81.07063	100.0
83.04987	19.8
83.08640	15.4
85.02876	7.5
85.06508	4.2
91.05484	37.2
93.07042	60.6
93.72150	3.3
95.04971	15.5
95.08605	57.4
97.02895	9.9
97.06544	11.0
97.10172	4.5
99.04473	7.4
105.07023	34.9
107.04996	4.5
107.08591	41.8
109.02893	9.4
109.06528	7.3
109.10157	19.2
111.04445	5.0
111.08077	7.5
111.20142	2.8
115.05384	3.3
117.07025	18.3
119.08590	25.4
121.06532	5.2
121.10160	31.5
123.04356	3.0
123.11700	10.3
125.09662	3.2
127.03912	5.7
129.05513	4.8
129.07036	9.8
130.54962	3.3
131.08571	28.3
133.06497	5.1
133.10126	19.0
135.08054	6.6
135.11713	18.0
141.06984	4.9
142.07710	4.5
143.08575	9.2
145.10141	14.6
147.08035	3.7
147.11690	13.8
149.09532	3.8
149.13242	18.5
151.11163	4.4
155.08522	4.2
157.10175	5.6
159.08072	5.3
159.11685	21.6
161.13249	5.4
163.11162	4.3
163.14882	3.5
169.10144	3.9
171.11665	3.9
173.13283	7.2
177.12753	7.1
182.30557	3.0
185.13295	7.0
195.11852	2.8
195.13824	10.2
197.13364	4.4
213.12872	3.3
213.16452	3.7
254.14552	4.1
261.22214	7.4
267.15936	6.0
269.17511	39.5
301.21552	4.7
319.22479	4.2
335.25900	28.8
337.27640	3.6
351.23224	5.9
369.24219	5.4
387.25009	4.8
413.21646	8.6
430.52548	3.2
443.27841	6.3
443.54440	3.5
461.28867	6.0
479.29895	8.3
519.36646	6.2
529.38977	58.2
593.45795	4.0
637.40491	7.3
655.41937	5.6
673.42841	27.2
691.34076	7.9
691.44080	20.9
717.19507	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	691.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.4
55.01868	5.5
55.05516	12.7
55.61902	1.2
57.03437	15.5
59.70286	1.2
61.02932	18.5
65.03925	1.8
67.05508	45.7
69.03433	16.5
69.07069	15.2
71.04993	4.4
73.02910	7.0
75.66736	1.2
78.65363	1.2
78.99414	1.3
79.05492	32.5
81.03421	26.3
81.07059	63.1
83.04987	11.2
83.08624	11.3
85.02904	27.5
85.03376	2.3
85.06548	3.5
87.00204	1.4
87.04481	1.6
91.03945	11.4
91.05479	26.6
93.07043	39.3
95.04990	8.8
95.08613	21.9
97.02898	24.3
97.06529	9.3
97.10180	2.3
99.04450	5.5
99.08078	3.7
101.02361	2.4
103.03957	3.4
105.07033	22.3
107.04960	5.2
107.08596	22.4
109.02885	7.3
109.06509	6.0
109.10168	9.4
111.04418	3.1
111.08092	4.4
115.03884	2.5
117.07027	13.2
119.08572	19.6
121.06492	2.2
121.10143	12.8
123.04416	1.5
123.08060	3.7
123.11715	3.9
125.09630	2.1
127.03929	12.8
129.05481	3.5
129.07001	4.5
131.08582	19.0
133.06477	2.1
133.10129	19.0
135.08078	4.4
135.11697	10.3
137.09624	3.7
143.08615	2.4
145.04964	5.6
145.06425	1.9
145.10118	11.7
147.08073	1.9
147.11687	11.3
149.09618	6.1
149.13257	18.5
151.11188	2.9
155.08594	1.9
157.10124	5.9
159.08086	2.0
159.11688	18.8
161.09587	1.4
161.13297	3.1
163.06062	3.1
163.11273	2.6
165.12840	1.6
169.10207	1.4
171.11737	3.6
173.04500	8.6
173.09627	2.1
173.13365	3.8
175.11197	3.9
177.12762	20.6
178.70686	1.2
179.14328	5.8
183.06604	3.8
183.11696	2.1
193.12260	4.2
195.13779	12.1
211.13354	4.7
213.14851	2.3
219.13820	2.9
227.12807	2.2
229.14409	2.1
229.19479	1.7
231.78421	1.2
233.15337	1.9
239.17949	3.0
247.20654	1.8
250.39680	1.3
251.16469	5.7
251.27406	1.2
257.19037	4.1
267.16013	3.5
269.17480	100.0
270.17917	1.8
275.20074	26.8
285.17010	4.7
293.21207	4.3
297.16876	1.5
331.22864	2.3
339.18094	3.5
349.23755	40.9
367.24802	17.0
377.19263	1.7
383.22330	1.7
391.24866	1.9
395.20737	3.7
413.21680	15.7
419.24182	1.5
475.26947	2.5
477.28461	1.7
493.27948	4.9
495.29700	3.5
511.29129	24.0
575.26599	1.8
673.33905	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	691.354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	2.3
55.01878	5.7
55.05517	4.6
57.03447	2.3
57.07024	0.4
61.02882	1.8
61.66331	0.4
65.03912	0.8
67.05510	11.6
69.03398	1.4
69.07076	11.2
69.07413	0.5
71.04962	0.9
77.47165	0.4
79.05500	10.8
81.03429	5.3
81.07064	16.1
83.04994	2.3
83.08630	3.2
85.02908	2.5
85.06483	0.6
91.03936	1.0
91.05489	12.3
93.07055	10.5
95.01355	3.2
95.04976	4.2
95.08610	10.6
97.02859	1.1
97.06543	8.8
97.10120	1.3
101.81018	0.5
103.05464	0.5
105.07037	20.8
107.04962	7.2
107.08601	5.7
109.02837	0.9
109.06490	1.2
109.10177	2.4
111.08054	1.3
117.07009	4.3
119.08594	11.4
121.06464	1.6
121.10144	2.7
123.04372	1.3
123.08015	1.7
123.11678	1.0
125.09583	0.8
127.03862	0.7
129.06982	1.3
131.07733	0.5
131.08571	6.5
133.06477	0.6
133.10138	12.5
135.08017	1.8
135.11700	3.6
137.05852	0.5
137.09563	1.3
139.07494	0.6
141.06926	0.6
143.08519	1.3
145.06448	1.3
145.10146	4.6
145.86543	0.4
147.07976	0.5
147.11696	4.2
149.09599	2.6
149.13206	1.9
151.11160	0.5
155.08574	0.8
157.10065	1.4
159.11708	4.3
161.13245	1.4
163.11147	1.8
165.09053	1.0
169.10144	1.1
169.51028	0.5
173.13251	1.1
175.11249	0.5
177.12788	2.3
179.14336	6.0
185.13292	0.6
187.11119	1.6
189.12785	0.4
195.13943	0.5
205.12227	0.7
219.13762	0.6
229.14366	0.5
232.84377	0.5
247.20760	0.6
257.19046	1.5
275.20081	17.5
279.15945	0.5
285.07614	1.1
293.21078	1.3
322.03516	0.5
349.23752	100.0
350.24033	2.3
371.12253	0.5
373.13797	0.5
400.15469	1.4
403.18097	0.6
427.17914	0.6
428.14413	0.6
429.15598	0.9
430.16357	2.6
431.17200	0.7
442.16031	0.5
443.17270	2.4
444.17923	1.2
447.12558	0.5
454.16315	0.6
457.19321	2.3
457.24814	0.5
458.19696	1.8
459.20407	1.4
467.17068	0.6
470.12015	1.3
484.13544	4.1
485.14093	0.9
485.19104	0.8
487.19901	0.6
493.28015	1.3
495.16837	0.7
497.14105	0.8
497.18796	1.0
498.15768	1.5
499.15704	2.3
511.16217	1.7
511.29150	3.7
512.16815	3.5
513.17688	4.7
514.18573	1.9
523.16083	1.0
525.17743	2.3
526.18585	0.8
527.19397	1.2
529.20819	0.5
539.16125	0.7
545.24298	1.0
555.18610	0.8
573.23584	1.8
579.37653	0.5
585.19550	0.5
599.21362	0.9
600.21967	2.9
601.23029	6.9
614.22742	0.6
615.24792	0.5
617.22632	1.6
632.25317	1.0
633.23260	0.5
659.23456	0.9
660.23633	0.9
676.23486	0.5
691.26129	77.1
692.26398	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	691.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.8
53.29001	3.0
55.01862	10.5
55.05508	14.1
57.03450	16.3
61.02911	12.6
67.05511	52.5
68.10954	2.7
69.03425	13.1
69.07079	22.9
71.04994	9.6
71.53487	4.7
73.02917	5.0
79.05493	35.3
81.03423	26.6
81.07063	60.4
83.04967	13.2
83.08628	16.2
85.02901	18.0
91.03970	10.1
91.05478	38.5
93.07048	46.7
95.04963	10.7
95.08611	28.0
97.02917	18.8
97.06545	26.3
97.10191	5.6
99.04456	5.5
99.08087	5.2
103.03987	4.1
105.07033	34.6
107.04951	9.6
107.08597	28.1
109.02901	5.4
109.06524	5.0
109.10177	17.2
111.04412	4.3
111.08064	7.6
117.07034	14.9
119.08580	19.3
121.06473	5.5
121.10136	20.0
123.04465	2.9
123.08084	7.0
123.11724	6.1
125.09645	6.9
127.03955	7.3
129.05496	4.6
129.07014	4.5
131.08565	21.6
133.10149	25.0
135.08064	6.6
135.11687	14.4
137.05988	10.3
137.09610	4.0
139.07539	3.5
143.08524	5.6
145.06406	3.4
145.10141	17.4
147.11685	10.5
149.09598	13.4
149.13261	17.2
157.10136	5.4
159.11697	27.4
161.01111	2.9
161.13243	4.6
163.11182	6.2
171.10284	4.2
171.11670	8.5
173.04416	7.0
173.13249	7.5
177.12785	25.0
179.14406	9.2
183.11777	4.6
187.14827	3.3
195.13794	8.2
227.12669	4.2
229.14326	5.0
239.18028	4.3
251.16380	3.5
257.19025	11.7
267.15717	3.0
269.17490	98.7
275.20041	31.6
285.07617	8.6
349.23730	100.0
350.24054	3.6
367.24860	29.5
391.24771	4.0
413.21756	9.2
458.19919	3.9
462.29352	3.5
477.28247	5.6
484.14056	5.7
493.27917	6.0
495.29373	4.0
497.14664	4.0
511.29041	13.7
513.17767	12.2
525.18298	4.4
530.10675	3.8
601.22699	8.8
632.24133	3.6
691.26062	92.8
692.26105	7.6
703.92072	3.7
713.63861	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	691.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.01659	0.9
55.01881	8.3
55.05514	6.6
57.03438	5.3
61.02922	8.4
67.05510	20.0
69.03432	6.1
69.07078	9.1
71.04994	2.7
71.54005	1.0
72.39661	0.7
73.02910	2.7
79.05500	15.7
81.03423	10.0
81.07059	25.6
83.04993	4.2
83.08617	4.6
85.02914	10.7
85.06547	2.0
86.64861	0.8
91.03967	3.9
91.05483	15.6
93.07047	18.6
95.04975	4.2
95.08607	11.2
97.02895	7.7
97.06544	16.0
97.10158	2.1
99.04460	1.7
99.08072	1.4
103.03945	1.5
105.07038	13.0
107.04974	5.0
107.08595	11.7
109.02879	3.2
109.06538	2.5
109.10168	6.0
111.04429	1.1
111.08102	2.3
117.07047	6.1
119.08588	9.1
121.06512	2.5
121.10152	6.5
121.60499	0.7
123.04549	0.9
123.08059	1.4
123.11726	2.3
125.09635	2.3
127.03909	4.7
129.05493	1.9
129.07016	2.5
129.85760	0.8
131.08556	8.2
133.06480	1.0
133.10136	9.9
135.08066	2.8
135.11711	4.4
137.09691	1.1
139.07574	1.1
141.41528	0.9
143.08589	1.3
145.04976	2.0
145.10152	7.9
147.08070	1.2
147.11679	5.4
149.09608	6.2
149.13283	5.0
151.11147	2.0
156.71300	0.9
157.10117	2.2
159.11702	8.2
161.09598	0.9
161.13260	2.2
163.06032	0.9
163.11205	3.1
171.10303	0.9
171.11693	2.1
173.04517	2.7
173.11951	0.8
173.13240	1.8
175.11261	0.8
177.12735	7.9
179.14348	3.3
183.11751	1.3
185.13354	1.0
189.11310	1.8
195.13826	2.7
207.94412	0.9
213.14854	0.8
215.14378	1.0
223.18521	0.8
227.12851	1.5
229.14397	1.7
245.13954	1.0
246.06917	0.8
246.19246	0.9
247.20642	0.8
251.16600	1.0
253.18080	1.3
257.18942	3.9
267.15735	1.0
269.17480	34.5
275.20084	13.9
285.07666	1.4
293.21136	1.4
309.20865	1.5
331.22934	0.9
349.23746	47.9
350.24222	1.2
367.24796	8.6
391.24811	2.1
404.36215	0.9
413.21567	5.7
430.16492	1.6
431.17471	1.2
442.16666	1.0
443.17117	1.3
456.13644	1.2
457.19431	4.8
457.25064	1.7
458.19559	1.9
459.20328	1.1
462.29318	1.3
475.26779	1.3
483.12936	2.8
484.13541	8.9
485.14786	2.5
493.27814	2.5
495.16806	1.1
495.29880	1.1
497.14398	4.6
498.15454	5.3
499.16205	3.4
511.16431	3.3
511.29083	11.4
512.16943	5.7
513.17767	18.6
514.18311	5.5
523.16083	5.5
524.16479	0.9
525.17468	1.8
526.18768	2.1
527.19189	5.8
529.19965	0.8
555.19202	2.5
556.19745	1.3
571.18542	1.0
573.22302	1.0
600.22443	2.5
601.22943	5.8
614.23877	1.6
618.83893	0.9
632.23999	1.1
659.23560	1.2
660.23840	2.3
673.24976	1.4
691.26111	100.0
692.26428	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	691.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.8
55.01874	1.5
55.05521	2.2
57.03452	1.0
61.02929	0.6
67.05512	3.5
69.07082	2.6
69.22206	4.6
71.04978	0.9
74.65355	0.4
79.05507	3.2
81.03437	1.6
81.07062	5.8
83.04974	1.2
85.02930	1.0
91.05500	4.2
93.07066	3.5
95.01329	1.0
95.04979	1.0
95.08630	3.2
97.02892	0.5
97.06541	3.6
98.21475	0.8
105.07050	5.6
106.07391	0.4
107.04969	2.2
107.08611	2.2
109.10194	1.1
117.07066	1.2
119.08613	3.5
120.48473	0.4
121.10150	1.4
123.08078	0.8
131.08591	1.6
133.10139	3.0
135.11664	0.6
145.10139	1.5
147.11691	1.9
149.09644	0.6
157.10158	0.5
159.11713	1.3
161.09578	0.5
161.13344	0.6
162.76547	0.4
165.09183	0.5
171.21779	0.5
173.13202	0.4
177.12675	0.7
179.14363	1.2
269.17383	0.5
275.20084	5.4
285.07739	0.8
293.21436	1.0
296.31024	0.4
319.99310	0.5
349.23761	25.4
400.15594	1.7
401.16168	0.9
414.17099	0.7
416.14496	0.8
427.18024	0.8
428.14832	1.0
429.15762	0.9
430.16495	2.3
431.17224	0.6
443.17047	2.3
444.18036	1.5
455.17899	0.7
457.19260	3.0
458.19614	2.1
459.20630	1.5
467.17563	0.9
470.12067	1.3
471.16455	0.9
483.13037	1.6
484.13528	6.3
485.13663	0.7
485.18591	1.7
497.14871	2.2
497.19138	1.1
498.15192	3.5
499.15979	3.1
510.19159	0.6
511.15698	2.1
511.28931	0.9
512.17090	4.7
513.17639	10.3
514.18658	2.6
515.19427	0.5
523.15985	2.9
525.17700	3.3
526.18713	1.0
527.19373	3.6
539.15747	0.9
545.24200	1.7
555.18982	1.5
571.18408	1.1
573.23059	1.9
585.20117	0.8
599.21362	1.6
600.22107	3.1
601.23071	8.2
602.21252	0.9
614.23779	1.0
615.24554	0.8
617.22754	1.1
632.24561	0.8
659.23639	1.0
660.24774	1.4
673.24847	1.0
676.23944	1.5
691.26178	100.0
692.26245	4.0
717.28815	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02789	1.7
53.03951	2.6
55.01871	4.2
55.05511	11.2
57.03436	11.4
57.05851	1.8
61.02919	2.6
67.05177	2.6
67.05509	31.1
69.03426	6.3
69.07064	7.3
70.06615	2.4
71.04993	5.1
71.08624	2.2
71.53563	2.4
73.02918	4.6
76.33854	1.8
79.05501	30.1
81.02987	3.1
81.03425	39.8
81.07064	35.9
82.07363	2.6
83.04994	12.3
83.08617	18.7
85.02910	21.8
85.06561	2.8
86.06068	3.5
91.03954	2.5
91.05487	26.3
93.07053	33.1
95.04974	21.1
95.08611	32.3
97.02905	10.5
97.06521	6.5
97.10145	3.4
98.16562	1.7
99.04475	2.7
105.05267	1.4
105.07054	15.4
107.04980	12.1
107.08607	26.1
109.02854	1.8
109.06510	4.8
109.10175	12.0
111.08095	8.9
113.06014	3.0
116.10738	9.7
117.07021	8.9
119.08585	19.9
121.06520	6.1
121.10134	13.9
123.08044	3.5
123.11686	1.8
125.05932	2.3
125.09589	2.1
127.03946	3.0
129.07018	7.4
131.08557	7.7
133.06448	1.8
133.10165	9.7
135.08054	2.6
135.11711	35.4
137.09624	2.7
143.08612	1.6
145.10115	25.6
147.08070	2.2
147.11742	10.5
149.09610	2.6
157.10118	8.8
163.11195	43.6
165.12756	3.3
173.09541	2.5
173.13214	1.5
175.11183	9.6
181.12259	8.0
193.12250	20.0
211.13289	26.0
214.18031	26.4
227.12794	53.6
229.14285	3.7
241.44600	1.7
251.03084	1.8
267.15918	33.3
283.12396	3.6
283.15442	55.4
285.07602	2.4
285.16962	48.8
317.06564	2.6
318.07193	2.4
319.93182	2.0
344.24139	5.5
366.23480	2.1
442.31488	2.6
475.26917	35.6
493.27994	100.0
494.28424	3.6
528.28424	2.2
592.29651	2.0
637.74994	2.4
690.32166	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	690.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
55.01870	7.2
55.05273	1.6
55.05516	25.7
55.53370	1.4
57.03432	3.6
57.07062	1.5
65.03935	1.9
67.05508	48.2
67.44341	1.4
68.73258	1.3
69.03434	10.4
69.07072	26.1
71.04993	3.0
71.53121	2.4
71.53490	1.9
77.03907	2.1
78.03816	1.5
79.05493	31.7
81.03419	7.9
81.06590	2.4
81.07062	46.2
83.04987	10.1
83.08630	10.1
85.06516	3.6
91.05487	45.0
91.05991	1.0
93.07040	35.5
95.04970	10.6
95.08614	21.5
97.02882	5.2
97.06530	7.2
97.10180	8.0
105.07035	36.3
107.04975	10.4
107.08598	30.3
109.06509	7.2
109.10161	30.4
111.08101	2.3
115.05466	2.2
117.07046	8.6
119.08587	16.2
121.06528	6.6
121.10155	7.6
123.08079	5.7
123.11696	5.9
125.09609	8.0
128.06172	2.1
129.06992	5.6
131.08586	12.2
133.06480	3.9
133.10136	41.7
135.08049	6.6
135.11694	6.1
137.09622	3.3
143.08545	5.6
144.48204	1.6
145.06569	2.3
145.10164	9.4
147.08049	4.8
147.11713	5.2
149.09621	4.4
149.13223	1.5
151.11194	19.8
153.09113	2.1
155.21861	1.3
157.10167	4.2
159.11618	4.0
161.09618	6.1
161.13318	2.4
163.07504	1.6
163.11176	4.3
164.17596	1.4
165.09099	1.8
165.12852	1.6
169.10185	1.5
169.12236	5.8
171.11668	2.0
173.09590	2.3
175.11215	2.5
177.09084	1.9
179.10681	3.4
187.11256	1.5
188.42177	2.1
189.11273	2.1
189.12759	1.6
213.16344	2.1
215.12787	3.0
219.36179	1.8
223.13293	16.0
227.12819	3.2
227.17917	1.8
245.18968	3.1
249.14828	4.0
253.14365	81.4
254.14784	2.2
263.20114	3.2
273.18491	25.8
291.19550	100.0
292.19708	2.5
347.22217	7.9
365.23248	40.8
473.22794	1.9
543.32593	1.9
561.34235	12.5
630.30902	8.7
637.40503	4.1
655.41882	13.1
658.29254	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	689.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.8
53.03934	10.8
55.01871	8.1
55.05519	29.4
57.03431	9.5
57.07074	4.3
60.26011	2.3
61.02916	10.3
65.03938	3.7
66.61892	2.6
67.05508	70.4
69.03432	23.6
69.07070	23.0
69.61292	13.6
69.61694	4.5
71.04987	9.9
72.86537	2.4
73.02911	6.3
79.05058	4.6
79.05496	58.3
81.02987	4.5
81.03425	56.3
81.06583	4.8
81.07059	89.0
82.07356	2.8
83.05007	16.7
83.08617	18.2
85.02900	16.6
85.06516	2.4
86.09672	2.7
91.03973	4.8
91.05476	47.8
93.06464	4.8
93.07047	59.1
94.58137	2.6
95.05004	13.7
95.08612	39.5
97.02908	26.0
97.06525	10.4
97.10149	7.5
98.21481	5.6
99.04444	7.5
103.05491	2.6
105.07030	47.0
107.04926	8.2
107.08600	28.4
109.02876	8.4
109.06528	8.3
109.10168	20.1
111.04449	4.1
111.08084	6.1
115.05450	4.7
117.07016	25.7
119.08578	35.0
121.06447	4.1
121.10162	22.1
123.08067	5.1
123.11703	5.4
123.64450	2.5
125.00020	3.8
125.09614	7.0
127.03882	9.9
128.06213	5.4
129.05487	6.7
129.07014	19.7
131.04951	2.5
131.08574	36.6
133.06523	4.9
133.10133	29.1
135.08089	4.7
135.11693	18.8
141.06990	9.5
142.07819	3.6
143.08574	26.3
145.06433	4.2
145.10149	30.2
147.08107	3.9
147.11665	23.6
149.09601	6.0
149.13271	9.5
149.86856	2.5
153.07008	2.6
153.09143	3.6
155.08543	12.0
157.10115	22.5
159.08102	4.1
159.11684	27.0
161.13245	10.5
163.11226	5.0
165.12802	5.6
167.08531	4.8
169.10147	18.2
171.11708	17.1
173.04507	9.2
173.11848	3.4
173.13261	14.2
175.11160	4.0
175.14682	3.3
177.12811	4.6
177.24760	2.6
179.08534	3.1
181.10129	7.1
183.11685	13.8
184.07353	12.5
185.13329	12.7
187.14879	6.0
189.12787	3.2
193.10136	5.4
195.11765	6.2
197.13252	10.5
199.14807	7.4
209.13254	6.8
211.14897	5.2
213.16504	4.0
217.15942	3.2
221.13106	3.0
223.12625	3.3
224.13062	4.8
235.12456	3.3
235.14783	3.8
237.13835	10.7
237.16269	2.8
238.14809	3.1
239.08286	3.8
241.19545	3.6
255.17398	3.0
259.20535	9.2
265.13486	4.5
267.15958	4.7
269.17557	10.0
277.21561	4.2
301.21729	3.3
325.15570	2.9
327.09631	7.0
333.24213	11.5
335.25861	4.5
337.21368	2.9
369.23795	3.6
385.23685	3.3
407.91714	2.8
413.21582	3.7
417.31967	3.4
432.56363	3.0
435.32413	8.2
449.19873	3.6
453.33524	4.7
477.28323	3.8
509.35535	7.4
519.20319	5.0
525.35077	2.9
527.37378	100.0
528.37476	3.9
533.35046	3.2
543.36456	3.7
545.38184	7.4
551.22913	3.5
552.23553	6.0
569.38391	4.2
579.22528	7.2
617.38495	3.7
629.26355	3.5
635.39172	8.7
639.24542	79.5
640.24579	8.2
653.40387	13.0
671.27490	13.7
671.41345	21.2
689.32202	3.6
689.42542	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	689.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10672	1.1
51.48109	0.9
53.03952	8.1
55.01870	3.7
55.05513	21.2
57.03437	10.7
57.07078	2.8
59.05017	1.7
60.07071	0.9
61.02932	10.6
65.03927	2.0
67.05505	45.0
68.05851	1.8
69.03432	18.9
69.07069	17.2
71.01361	1.1
71.04987	7.5
71.53733	1.8
71.82046	1.0
73.02907	4.9
79.05494	34.3
79.90105	1.0
81.03421	41.2
81.07059	46.5
81.50273	1.0
82.07395	1.5
83.04995	9.3
83.08624	9.8
85.02902	13.1
85.06553	2.4
86.09718	3.2
91.03965	4.9
91.05488	29.4
93.07049	33.5
95.04970	8.4
95.08614	27.6
96.08920	1.2
97.02892	17.8
97.03456	1.9
97.06516	5.6
97.10178	3.2
99.04450	7.3
101.02389	2.0
105.07039	30.2
107.04985	3.9
107.08601	19.9
107.99651	1.0
109.02873	5.7
109.06532	3.3
109.10162	14.4
109.24845	1.1
110.10504	1.9
111.04437	2.8
111.08123	3.1
115.03940	1.4
115.05450	1.6
117.07028	14.4
119.08583	23.6
121.06492	1.7
121.10149	14.2
123.08086	3.4
123.11746	3.6
125.00037	2.6
125.09660	1.8
127.03908	9.2
128.06259	3.7
129.05519	7.2
129.07004	15.3
130.07784	1.8
131.08565	28.5
133.10143	15.7
134.10379	1.3
135.08041	2.1
135.11678	8.5
137.09648	3.7
141.06995	6.0
142.07802	3.7
143.08586	16.2
144.09352	1.4
145.06508	2.1
145.10132	18.8
147.08057	1.6
147.11700	13.6
149.09634	1.7
149.13240	5.6
151.11212	1.1
154.07764	1.7
155.08563	12.1
156.09340	2.4
157.06511	2.0
157.10132	16.7
157.11316	1.5
159.08066	1.9
159.11705	16.7
159.96423	0.9
161.09686	1.7
161.13272	6.7
161.27315	1.0
163.14862	1.6
165.07100	1.4
165.12820	1.7
166.07684	1.5
167.08586	5.0
167.14328	1.2
168.09363	2.3
169.10127	13.3
171.08139	1.9
171.11697	17.1
173.04466	16.9
173.09694	1.6
173.11871	1.7
173.13268	9.3
175.11198	1.8
175.14828	3.2
177.12787	1.5
179.08659	2.7
180.09227	1.1
181.10118	5.5
183.08075	1.5
183.11700	13.0
184.07327	11.6
185.07735	2.0
185.09715	1.8
185.13193	7.8
187.14828	6.6
189.16449	1.6
193.10197	2.1
194.10963	1.8
195.11743	6.4
195.13599	2.0
197.13266	10.8
199.11295	1.4
199.14876	5.2
201.12787	1.3
201.16435	1.2
205.10243	1.5
207.11737	3.0
209.13263	6.2
211.11252	2.0
211.14838	4.9
213.16455	1.9
219.11771	1.6
221.13315	3.4
223.14868	4.2
225.16476	3.6
227.18054	2.2
229.14380	3.4
230.14772	3.1
233.13240	1.2
235.14890	2.8
237.16367	2.3
239.18024	1.9
241.19637	1.8
249.16397	1.3
249.18710	1.2
251.18286	1.5
253.19565	1.4
259.20593	3.5
261.22141	1.7
263.17740	1.3
265.19815	1.3
267.15948	3.2
269.17545	4.8
271.20459	1.7
283.20346	1.6
295.20581	1.3
297.22263	2.3
301.21793	2.5
309.22153	1.7
311.23645	1.4
329.24796	1.7
333.24310	3.0
335.25800	3.6
336.26428	1.6
337.26291	2.1
339.18250	1.3
339.23450	1.5
347.23804	1.2
353.24570	1.2
355.22760	1.4
367.22888	1.4
369.24094	1.5
413.21826	2.6
417.31357	2.7
435.32617	10.0
447.33688	1.3
453.33707	7.1
471.34601	4.7
473.33932	1.9
490.36017	2.0
491.35822	2.4
492.36633	2.9
497.25348	1.3
501.35852	2.6
509.36307	7.8
517.39209	4.1
525.35657	2.6
527.37341	100.0
528.37543	6.2
529.39166	5.4
539.37512	2.2
541.39148	1.6
543.36639	2.6
545.38300	8.2
557.38116	1.2
569.38422	3.5
599.28699	1.3
611.39740	1.4
617.38702	1.6
623.39044	1.3
627.28381	2.9
635.39355	6.3
653.40009	5.7
671.41650	12.9
689.30908	2.3
689.42590	46.5
690.42883	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	689.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.0
55.01866	4.0
55.05261	1.8
55.05510	22.8
57.03440	13.2
57.07067	3.1
57.57527	1.2
58.52646	1.2
61.02932	9.1
65.03934	5.1
67.05507	44.4
69.03074	2.1
69.03432	25.4
69.07072	22.4
69.30241	9.9
71.01357	1.4
71.04981	6.7
71.08629	1.4
71.97668	1.5
73.02921	6.0
79.05495	43.8
81.03419	57.7
81.07056	55.8
83.04977	16.0
83.08620	9.6
85.02905	11.9
85.06535	3.5
86.98122	1.1
91.03943	3.0
91.05479	38.1
93.07047	45.3
95.04986	8.0
95.08607	35.1
97.02895	24.3
97.06542	4.8
97.10155	5.3
98.21543	2.6
99.04462	8.4
99.08130	3.0
101.02376	1.5
103.05465	2.0
103.34702	1.1
105.07032	38.1
107.04971	3.8
107.08595	27.8
109.02886	9.0
109.06515	5.1
109.10158	13.7
111.04427	4.2
111.08101	3.8
115.05461	1.9
116.06191	1.6
117.07027	18.1
117.19685	1.2
119.08585	26.6
120.77166	1.3
121.06506	4.5
121.10139	19.6
123.08057	3.1
123.11752	5.9
125.09650	1.8
127.03914	10.6
128.06255	3.7
129.05515	6.3
129.07011	15.5
130.07779	1.8
131.08563	30.2
133.06537	1.7
133.10139	21.1
135.08044	3.3
135.11681	9.8
137.09669	1.9
141.06958	6.2
142.07782	3.0
143.08554	21.7
145.10114	23.6
147.08023	3.4
147.11678	21.0
149.09615	2.2
149.13260	7.1
155.08575	10.3
157.06570	1.5
157.10120	18.5
159.08101	1.7
159.11699	21.9
161.13258	8.7
163.11172	1.6
163.14899	1.6
165.12799	5.4
167.08569	4.7
168.09348	2.1
169.10126	14.3
170.10915	1.5
171.11678	16.1
173.04463	18.1
173.09628	2.1
173.13240	13.1
175.11143	2.1
175.14853	4.5
177.12752	2.4
179.08513	3.1
181.08760	1.5
181.10126	7.8
182.11014	1.9
183.11700	14.7
183.13347	1.6
185.09669	1.2
185.13232	13.7
187.11284	2.2
187.14842	5.1
189.12845	1.7
191.08603	1.2
191.14224	1.3
193.10123	2.6
195.11740	7.2
195.13826	3.5
197.09717	1.8
197.13242	10.9
198.10376	1.2
199.05997	1.5
199.11208	3.1
199.14838	7.1
201.16396	1.7
205.10159	1.4
205.15985	1.3
207.11763	3.3
209.13260	5.5
211.14857	5.8
213.12790	1.4
213.16440	2.8
217.63187	1.5
219.11700	1.3
221.13245	3.7
223.14848	3.8
225.16452	2.8
229.14281	1.7
231.11813	1.5
237.16341	2.2
241.15790	1.4
241.19574	3.4
257.19019	2.3
259.17059	1.2
259.20599	7.6
261.22153	3.8
267.15851	6.8
269.17438	6.6
271.17105	1.3
271.20496	2.2
275.20129	1.5
285.17163	3.2
297.22226	1.5
299.19931	1.9
301.21802	2.4
309.21970	2.9
311.23633	1.9
313.21735	1.5
323.23639	1.6
325.21796	2.5
327.23267	1.8
333.24637	6.7
335.25858	4.7
337.25500	1.5
339.23407	2.5
349.21613	2.3
367.22864	3.5
369.24249	2.0
375.24582	1.4
403.18399	1.3
411.19870	2.0
413.21832	4.5
417.31415	3.8
425.34161	2.2
435.32635	11.2
453.33618	7.6
471.34781	5.0
491.35217	2.1
501.35788	2.9
507.34784	1.6
509.36118	9.2
517.38800	3.3
525.35608	4.7
527.37335	100.0
528.37476	5.8
529.38544	3.6
539.37073	2.9
543.35950	3.0
545.38171	11.9
569.38519	2.2
579.37360	2.0
593.38837	1.4
597.37872	1.6
617.38422	2.1
635.39331	8.3
653.40662	10.4
668.94281	1.3
671.41699	14.4
689.31537	5.4
689.42468	57.6
690.42786	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	689.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.5
55.01869	6.7
55.05516	29.0
57.03434	11.9
57.07074	3.9
61.02944	9.1
63.62786	1.9
65.03944	4.7
67.05508	61.8
68.05836	2.0
69.03432	21.0
69.07072	21.6
70.24079	4.0
71.05000	10.5
73.02926	6.2
74.14114	1.5
77.03938	2.2
79.05499	48.4
81.03424	58.4
81.06582	3.7
81.07061	67.5
81.83445	1.7
83.04980	18.9
83.08624	12.2
85.02918	15.6
85.06547	4.8
91.03953	4.5
91.04903	2.2
91.05483	51.2
93.07053	51.9
93.07640	2.9
95.04977	10.7
95.08612	38.3
95.09177	3.0
97.02893	23.6
97.06552	7.1
97.10185	5.6
99.04461	8.1
103.05495	1.9
105.07045	39.5
107.04975	4.4
107.08607	27.6
109.02901	7.6
109.06509	4.4
109.10143	16.5
111.04452	4.8
111.08105	2.6
111.11745	2.0
115.05475	5.6
117.07030	21.5
118.07445	2.0
119.08594	30.4
121.06548	4.8
121.10147	18.8
123.08088	3.2
123.11681	8.0
125.09648	2.4
127.03907	10.4
127.07641	2.1
128.06244	5.9
129.05504	6.3
129.07002	22.6
130.07776	1.6
131.08578	34.0
133.06485	3.0
133.10149	21.5
135.07982	1.6
135.11713	13.3
137.09686	2.1
141.07007	7.3
142.07794	4.1
143.08583	22.0
145.06575	3.5
145.10115	25.8
147.08083	3.4
147.11691	22.1
149.09628	3.7
149.13281	9.4
151.11200	3.2
153.07149	2.1
154.07721	2.9
155.08533	15.1
156.09380	1.8
157.06535	3.6
157.10149	23.2
159.08064	2.1
159.11693	23.5
161.09576	2.0
161.13258	11.0
163.11153	3.4
165.06985	2.6
165.12814	5.9
167.08595	7.4
168.09402	2.0
169.10161	16.2
171.11684	18.4
173.04485	15.2
173.09680	2.8
173.13301	10.9
175.11258	2.1
175.14850	5.4
177.12889	4.5
178.07938	2.0
179.08496	2.7
181.10202	6.3
182.10904	2.2
183.11696	14.8
185.09712	1.9
185.13300	13.3
187.14847	5.8
189.12827	2.0
193.10233	2.4
195.11769	8.8
195.13861	3.9
197.09619	2.6
197.13264	11.6
199.06033	3.4
199.11174	2.5
199.14865	7.1
201.16328	2.9
207.11774	3.8
209.09689	2.5
209.13422	5.6
211.14922	5.2
213.16444	3.5
217.12314	1.9
221.13304	3.8
223.14822	4.2
225.12883	1.9
225.16417	2.8
225.36208	1.8
233.13478	1.9
235.14857	3.4
237.16498	2.5
239.18051	3.2
241.19617	2.7
243.21210	2.0
253.14357	2.4
257.19104	2.9
259.20679	8.9
261.22241	4.1
267.16071	5.9
269.17532	6.3
271.20737	3.1
275.20279	3.1
283.20618	2.1
285.17032	4.9
297.22290	2.7
299.19870	1.9
301.21600	2.3
313.21713	3.4
315.23477	2.0
327.23508	1.7
333.24307	7.1
335.25876	6.8
337.21448	1.9
339.23431	2.2
349.21561	3.8
351.23227	3.2
367.22641	4.0
413.21695	3.9
417.31406	3.7
435.32629	11.3
447.32098	2.4
453.33704	6.0
501.35361	2.8
509.36304	9.3
525.35840	4.8
527.37360	100.0
528.38068	6.2
529.38751	5.7
545.38342	11.2
551.37646	2.4
569.38464	3.1
585.38123	2.0
597.38843	2.5
627.28082	4.4
635.39404	9.8
653.41016	11.2
671.41571	19.3
689.28870	6.6
689.42413	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65314	2.3
55.05514	11.9
57.03435	8.4
67.05511	37.7
69.07077	16.0
71.04987	5.6
71.54088	3.0
78.02929	2.1
79.05496	23.4
79.62756	1.9
79.89074	2.0
81.03432	11.2
81.07063	88.6
83.04980	8.2
83.08622	9.5
85.02919	5.4
85.06550	5.9
91.05482	26.4
93.07059	18.9
95.04981	6.0
95.08618	20.1
97.02897	4.3
97.06523	6.0
97.10181	3.4
97.46814	2.4
99.08100	3.1
105.07040	41.0
107.08595	15.6
109.06523	7.2
109.10144	6.8
113.05991	2.6
117.06944	2.4
119.08596	31.3
121.10153	24.3
123.04501	2.3
123.08100	6.1
123.11710	27.7
129.06985	4.0
131.08557	3.8
133.10127	7.0
135.11656	2.4
137.13239	2.9
147.11694	78.5
148.12035	3.3
154.93510	2.6
157.10156	3.0
165.12784	27.7
175.11200	5.0
183.13797	3.4
193.12245	3.9
211.13297	2.3
229.14297	12.3
256.03961	2.2
257.87842	2.0
262.71368	2.1
267.15933	81.7
281.17508	9.7
282.17868	4.8
285.16977	100.0
291.49585	2.4
433.96481	3.0
443.18900	3.0
474.29166	11.5
477.28418	16.1
492.30243	8.8
495.29541	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01869	0.8
55.05517	2.2
57.03433	1.7
57.57563	0.3
61.02934	3.0
67.05171	0.5
67.05511	5.7
69.03423	2.1
69.07063	1.0
71.04991	0.5
71.54659	0.6
73.02898	2.7
79.05498	5.9
81.03419	3.3
81.07066	5.2
83.04984	1.4
83.08619	1.2
85.02910	3.2
91.03963	2.2
91.05486	5.1
91.06021	0.5
93.07047	5.2
95.04985	1.7
95.08614	3.0
97.02894	3.9
97.06523	0.5
97.10184	0.6
99.04446	0.8
101.02394	1.0
105.07049	4.4
107.04951	0.7
107.08636	2.0
109.02896	0.6
109.06531	0.9
109.10178	1.4
111.04507	0.4
117.07051	1.3
117.12180	0.4
119.08591	3.1
121.06573	0.6
121.10165	1.4
123.08149	0.6
127.03918	1.2
129.07010	1.4
131.08607	1.0
132.08051	0.4
133.10150	1.4
143.08603	1.1
145.10129	0.9
147.11685	2.3
161.09668	0.6
161.13303	1.5
171.11713	2.6
177.25706	0.3
185.04218	0.5
189.12756	0.4
191.27237	0.4
207.13788	1.0
233.11070	0.4
237.13947	0.4
243.08476	2.0
247.13084	3.1
262.94028	0.4
266.14038	0.4
281.17535	0.7
303.15622	0.7
324.24707	0.4
374.64114	0.4
445.65060	0.4
465.20984	15.6
527.37103	0.6
597.23071	0.5
615.25098	0.4
629.25940	0.5
647.27063	0.7
657.25830	3.4
671.41541	0.5
689.35114	100.0
690.35468	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	688.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.4
55.01862	4.7
55.05516	19.7
57.03441	13.1
59.93759	1.9
61.02936	2.3
65.03938	2.8
66.15543	1.7
67.05183	3.0
67.05513	44.2
67.24458	1.9
69.03425	7.3
69.07071	11.4
71.03272	1.9
71.04971	6.5
73.02916	2.1
79.05501	63.6
81.03423	47.4
81.06597	3.2
81.07063	45.8
82.07361	2.3
83.04988	19.7
83.08623	21.9
85.02924	14.5
91.05487	56.4
93.06489	3.7
93.07054	53.9
94.65036	1.7
95.04971	30.6
95.08612	22.3
97.02907	4.8
97.06519	6.7
97.10169	6.8
98.20770	7.2
99.04466	1.8
99.08105	2.1
103.05536	2.1
105.07036	38.7
107.04942	8.7
107.08606	17.5
109.06509	8.4
109.10153	7.1
111.04445	2.6
111.08090	8.9
113.06051	2.2
115.05446	2.9
117.07021	6.8
119.08590	31.8
121.06518	3.0
121.10162	10.6
123.08084	7.5
125.09576	2.0
129.07030	19.4
131.08568	12.5
133.06528	3.4
133.10146	13.4
135.11676	2.5
142.07806	2.5
143.08577	6.6
145.10158	10.4
147.03360	1.8
147.07974	3.8
147.11693	37.2
149.09599	5.5
157.10126	8.0
161.09663	3.8
161.13268	8.9
163.11127	3.0
165.12843	2.3
171.11697	19.0
175.11191	12.7
189.12738	7.7
193.12260	28.5
207.13846	23.1
211.13303	29.9
225.15007	2.0
229.39508	2.5
267.15955	30.4
281.17490	78.3
285.16977	26.3
299.21396	1.9
315.08572	5.1
316.08948	2.7
473.29047	100.0
491.30084	95.3
492.30835	2.4
492.80716	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	687.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.7
52.59547	1.3
53.03952	11.7
55.01872	10.3
55.05518	28.2
57.03447	7.8
57.07080	3.0
59.93074	1.8
61.02946	1.9
65.03944	5.2
67.05512	71.2
69.03439	22.1
69.07075	31.3
69.42199	8.0
69.42610	3.8
71.05003	8.9
73.02936	2.7
74.09727	1.8
77.03951	1.9
78.80170	1.4
79.05502	67.5
81.03427	57.2
81.07065	82.5
83.04992	14.6
83.08629	15.2
83.80919	1.8
85.02913	10.8
85.06548	2.5
87.04477	2.0
91.03967	1.9
91.05488	60.9
93.07053	56.8
95.01356	3.2
95.04968	12.2
95.08614	41.1
97.02905	14.8
97.06544	18.5
97.10182	7.0
99.04468	5.4
99.08097	2.9
103.05482	3.1
105.04513	2.3
105.07040	49.7
107.04958	13.9
107.08600	38.6
109.02879	14.0
109.06522	8.9
109.10152	12.1
111.04465	5.6
111.08090	4.9
113.09621	2.1
115.05476	3.6
117.07032	23.2
119.04980	3.1
119.08595	32.5
121.06509	8.8
121.10152	19.8
123.04517	2.1
123.08041	4.3
123.11726	6.1
125.09648	6.6
127.03930	10.3
128.06239	4.6
129.05508	3.6
129.07018	16.8
130.07869	2.1
131.04964	1.9
131.08574	28.9
133.06520	4.4
133.10147	29.3
135.08092	7.5
135.11711	11.5
139.11211	1.7
141.06998	5.5
142.07791	3.3
143.08566	13.4
145.06538	5.8
145.10141	24.2
147.08084	5.5
147.11693	18.3
149.09593	9.6
149.13290	12.5
150.20859	1.5
151.11198	3.0
153.06955	2.3
155.08635	10.0
157.10104	9.3
159.08098	5.4
159.11682	22.4
161.06027	1.8
161.09639	3.4
161.13303	6.8
163.11172	8.8
165.07144	1.7
165.09233	1.8
165.12758	2.6
167.08617	5.3
168.09381	2.3
169.10172	10.6
171.08095	1.6
171.11725	11.7
173.04401	9.5
173.09641	3.7
173.13309	7.7
175.11192	2.8
177.12816	5.9
179.08678	2.7
179.14357	7.2
181.10201	5.2
183.08044	1.8
183.11728	10.1
185.09702	2.4
185.13332	6.0
187.11282	2.8
187.14819	2.0
189.11241	2.3
189.12744	1.8
193.10364	1.7
195.11786	5.0
195.13895	5.7
197.09613	2.1
197.13347	6.0
199.11179	3.9
199.14799	1.9
201.12831	3.1
204.27834	1.8
207.11732	3.7
209.13298	4.7
211.11220	1.8
211.14795	3.1
213.12828	3.7
215.14282	2.8
219.13901	2.2
221.13403	4.0
223.11133	2.0
223.14822	1.7
229.14304	1.9
229.19531	2.5
231.13806	2.3
239.14519	2.0
239.18083	4.2
247.20676	1.8
249.14961	1.7
257.19107	10.5
259.20572	1.9
269.17410	12.9
273.18658	3.4
275.20090	35.6
293.21365	2.8
309.21997	1.6
315.23239	1.9
321.17151	3.1
331.22702	4.2
339.18152	4.6
349.23608	7.6
351.23108	2.1
355.22702	2.2
367.22281	1.9
383.22488	3.6
395.20959	7.7
401.23270	2.8
419.24451	2.9
433.31384	2.3
469.33551	2.7
475.27158	2.9
515.37885	2.1
525.35773	24.5
527.37018	2.8
543.36841	11.3
567.37262	3.2
575.38831	1.9
604.01685	1.7
633.37823	2.2
651.39069	6.2
669.39911	13.8
687.41034	100.0
688.41058	2.9
690.54498	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	687.3026
Annotation	CHEBI:68367
Peak:m/z	Relative Intensity
53.03925	0.3
55.05511	1.0
57.00891	0.3
58.71974	0.3
64.32465	0.3
67.05502	1.5
69.03434	0.4
69.07059	1.0
79.05494	1.1
81.03429	0.7
81.07046	1.6
81.94404	0.3
83.04990	0.4
91.05492	1.1
93.07054	1.1
94.06574	0.5
95.08611	1.2
97.06565	0.7
103.31514	0.3
105.07023	1.2
107.04995	0.4
107.08565	0.6
118.23104	0.3
119.08603	0.8
122.09682	0.8
123.11676	0.4
130.06523	0.5
131.08600	0.6
133.10095	0.8
135.11707	0.4
144.08174	0.4
145.10115	0.4
148.07539	0.4
158.06041	0.5
160.07616	0.5
166.08636	0.6
171.09184	0.4
172.07590	0.5
173.04471	0.4
174.09288	0.4
174.67557	0.4
180.10233	0.4
183.09259	0.5
184.07487	0.4
187.08620	0.5
188.07210	0.4
193.12206	0.4
194.09712	0.7
195.09142	0.5
196.09871	0.6
197.10780	1.1
199.08701	1.1
200.07022	0.4
206.11592	0.4
207.09096	0.5
208.09920	1.4
209.10707	5.2
210.11395	1.7
211.08817	0.9
211.12297	2.3
213.06656	1.5
213.10291	1.1
213.13792	0.5
215.08311	0.4
220.11131	0.3
221.10585	0.8
222.11276	2.5
223.08862	1.6
223.12270	4.7
224.09520	0.7
224.13051	4.3
225.06613	0.5
225.10316	0.7
225.13824	3.8
226.14629	0.5
227.08234	1.5
232.09691	0.5
233.10635	0.5
235.08582	0.5
235.12444	1.3
236.09453	0.7
236.13078	1.0
236.79059	0.4
237.10283	2.2
237.13872	12.7
238.11028	0.5
238.14653	6.8
239.08287	0.5
239.11804	0.8
239.15483	3.4
241.06104	0.4
241.09750	2.1
249.10164	0.7
249.13826	0.8
250.11009	0.9
251.08215	0.4
251.11879	0.8
252.12639	0.6
253.09750	0.6
253.13434	2.1
255.07761	1.2
255.11430	1.1
261.13998	0.6
265.10318	0.7
265.13379	9.6
266.14099	2.9
267.07541	0.3
267.14902	4.0
269.09232	1.2
269.12863	0.4
273.12308	2.3
275.20215	0.9
279.07471	0.4
282.13757	0.9
283.10855	0.7
285.12555	0.8
286.13489	0.4
287.14334	0.9
288.15103	0.5
290.16711	0.4
292.14594	0.4
293.12866	0.6
297.09344	0.6
297.12500	2.2
297.15698	0.4
299.10507	0.6
299.14438	0.4
300.15048	0.8
301.12128	1.1
302.16675	0.4
309.15994	1.3
313.15631	0.4
314.13229	0.8
314.16641	1.0
315.13443	3.0
315.16919	0.5
316.14755	0.6
316.18262	0.9
318.15933	0.4
322.15201	0.3
325.15463	7.9
326.12885	0.7
326.16364	1.4
327.13641	0.6
327.17172	2.8
328.14529	1.1
328.18219	1.2
335.14105	0.9
336.14758	1.2
340.10834	0.4
340.14484	0.8
341.11441	0.6
343.13000	1.2
350.16214	0.4
358.15927	0.5
372.13013	0.4
372.17285	0.8
374.18881	0.7
378.15033	0.5
386.14719	0.6
386.19180	1.0
387.19772	0.8
388.20786	1.7
389.21060	0.8
390.18170	0.4
392.17017	0.5
393.17294	0.9
394.18451	0.9
395.18604	0.8
400.16571	1.6
400.21265	0.5
401.21198	1.0
402.22220	1.7
403.22430	0.4
404.23468	1.5
405.17038	0.7
406.18240	1.0
407.18768	0.8
408.20108	0.8
409.20517	1.6
412.16629	0.4
414.18188	1.1
417.17325	0.7
418.18076	0.7
419.18588	1.1
421.16321	0.5
423.18030	1.0
430.21353	0.7
431.21948	0.5
432.19171	0.7
433.20706	1.0
434.21375	0.8
435.18225	0.4
437.19656	1.2
438.21045	0.5
442.17566	0.5
448.18973	0.4
449.23700	0.5
451.21323	1.2
453.23389	0.6
462.20859	0.7
463.21295	0.5
465.22952	0.4
466.20468	0.4
467.20624	0.4
469.22345	0.8
475.21460	0.4
477.19394	0.7
480.22433	0.7
481.22607	1.4
482.23291	1.3
490.23163	1.6
491.24728	2.6
493.22437	1.0
495.20593	0.5
496.24835	0.4
497.25760	2.2
498.26959	0.5
505.23007	0.5
506.23428	1.1
507.24167	3.0
508.22971	0.7
509.22232	0.7
510.22589	0.7
511.23703	1.0
517.22107	0.9
521.25970	2.5
522.25964	0.6
523.26575	0.6
524.24408	1.3
525.25140	5.4
526.25342	0.4
534.23187	0.4
535.23682	1.6
539.26404	1.4
540.27643	1.7
549.25189	2.6
550.24646	0.6
552.23706	1.0
553.24744	1.9
567.26172	3.7
568.26880	0.9
577.24158	0.6
579.25854	1.2
585.27258	1.4
595.25696	3.4
599.24689	0.6
609.27307	9.4
611.28918	0.5
613.26416	1.0
623.24890	1.4
627.28168	26.3
637.26508	4.0
643.28888	0.4
645.28729	0.7
651.24402	0.5
655.27649	100.0
656.27936	2.8
669.26196	0.5
687.29919	4.3
687.40833	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.2
59.54888	0.7
67.05513	5.4
69.07064	0.9
71.24845	1.1
79.05500	1.5
79.71120	0.6
81.03436	1.4
81.07048	3.5
91.05473	1.4
93.07042	1.3
95.08625	1.7
105.07068	1.4
107.08620	0.8
109.10168	2.1
119.08608	0.7
125.17626	0.7
131.08588	0.8
140.21982	0.6
145.10139	0.7
146.09668	0.9
147.11612	0.7
155.69792	0.7
164.79462	0.6
197.10782	0.8
209.10805	1.2
210.11623	0.7
211.12288	1.3
222.11708	0.7
223.12399	1.5
225.13892	1.9
229.14397	2.1
230.15187	0.7
235.12410	1.2
237.13962	1.9
238.14725	1.3
249.14067	1.5
251.15413	0.8
252.16154	1.3
253.16277	0.8
262.13348	1.0
275.19757	0.6
285.72852	0.7
288.15094	0.8
314.16653	1.2
318.16071	1.0
326.16360	1.1
327.17352	0.9
335.25940	0.9
337.14606	0.8
340.18112	1.1
350.16385	1.0
351.16351	1.0
352.17419	0.9
353.18118	1.2
354.19266	0.9
364.17770	1.2
365.17859	1.5
366.18826	2.1
367.19315	2.8
377.17834	1.3
379.19400	2.4
380.20166	1.6
381.16898	2.1
381.21143	4.3
382.18039	1.2
383.22693	0.8
389.18018	0.9
391.19675	1.4
393.20908	2.2
395.18390	3.7
396.19464	1.4
397.20340	1.6
405.16901	3.2
407.18814	1.8
408.19855	0.9
409.20456	5.5
410.21298	4.5
411.21964	6.1
419.18353	0.9
420.19513	3.1
421.20538	2.5
422.21365	3.3
423.22153	3.6
424.22531	1.2
425.23599	1.4
426.24393	1.0
431.18500	0.8
433.20929	1.5
435.22580	1.0
437.18927	1.5
437.23605	3.5
438.19971	0.9
439.21423	2.0
447.21796	3.0
448.18878	12.0
449.19662	3.3
450.20648	1.2
451.21664	1.3
452.22873	1.4
453.23126	4.5
454.23428	0.9
455.24649	1.0
461.19754	1.2
464.22556	1.7
465.18472	1.7
465.23407	2.3
466.24081	1.4
467.20844	1.3
468.25687	7.1
469.25940	1.9
475.17850	3.0
476.22864	0.9
477.19446	1.3
479.17245	1.1
479.24402	1.4
480.21317	15.5
481.21750	3.9
482.23428	0.8
483.24118	1.5
490.36188	1.3
492.21558	1.0
493.18869	2.5
493.24036	1.0
494.19559	1.1
494.39490	0.8
496.24570	7.2
497.25974	7.8
498.26340	13.7
505.18710	0.9
507.20029	1.7
507.23944	1.1
508.21295	3.0
509.21768	1.6
511.27603	3.7
512.27960	2.6
520.21100	0.9
521.21490	1.1
523.26593	1.0
524.24115	4.4
525.25262	6.6
534.22577	3.8
535.23596	1.7
539.26550	6.6
540.27472	4.0
552.23694	1.4
553.24738	2.1
562.22565	1.1
563.23059	2.9
566.25232	2.5
567.26013	6.9
569.23621	1.1
580.22961	1.2
581.24243	1.1
584.26355	4.5
585.27081	6.8
594.24811	10.3
595.25610	2.6
597.26343	0.8
599.28204	4.2
609.26935	0.9
612.25800	21.1
613.26648	5.0
627.28101	26.3
628.29181	0.9
637.26617	5.0
655.27643	44.8
656.27686	1.6
687.30280	100.0
688.30304	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	687.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.6
57.07071	4.0
62.67664	1.8
67.05526	9.7
68.32161	2.0
71.08588	3.0
79.05499	3.3
81.07066	6.4
81.16708	1.7
83.08643	1.8
89.06004	2.7
89.63548	2.2
93.07040	5.5
95.08622	4.3
105.07080	3.8
109.10161	5.4
117.07044	1.9
119.08630	2.1
121.10166	3.3
122.69852	1.9
188.54749	2.0
211.36351	1.9
225.13815	1.8
253.89702	1.9
255.23166	2.5
335.25720	2.4
364.17593	2.5
365.17859	6.1
366.18768	4.0
367.19376	2.7
376.17484	3.0
377.17511	4.6
378.19223	2.5
379.19327	6.9
380.20291	2.2
381.20917	8.0
387.16684	2.3
391.19382	5.4
393.21207	3.1
394.18222	3.7
395.18848	4.9
405.16867	12.2
407.18515	4.5
408.19467	2.4
409.20331	6.2
410.21356	5.0
411.22070	3.2
420.19360	15.2
421.20364	7.8
422.20981	12.1
423.21988	3.3
433.16165	3.6
435.22131	2.7
437.19495	3.8
439.21689	3.1
448.18964	55.3
448.24805	3.8
449.19388	9.9
451.21802	3.0
453.22882	3.7
461.19849	5.5
462.20343	2.5
465.19452	8.5
468.25470	22.4
469.26236	3.1
475.17838	8.6
475.22824	2.6
476.18600	7.7
477.18707	3.0
479.20975	2.6
480.21622	73.1
481.22540	5.4
493.22211	7.1
496.24579	10.6
497.25693	8.8
498.26437	9.0
506.23547	3.0
507.20038	5.4
508.20547	12.1
524.24457	4.4
525.24780	4.4
525.41943	3.2
534.22864	9.4
535.23328	3.7
539.26379	4.9
553.24384	4.8
563.22791	7.5
566.25549	6.6
567.26062	4.3
585.26917	2.7
594.24731	65.7
595.25494	14.2
609.27039	24.0
612.25891	32.7
613.26404	11.4
627.28369	8.9
637.26556	69.2
643.30444	5.2
655.27631	97.5
656.27246	4.6
686.45557	2.2
687.30188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
65.97365	0.5
67.05505	1.1
69.07076	0.6
79.05521	1.2
81.07066	1.6
82.02361	0.6
83.74664	0.7
93.07041	0.9
95.08597	0.7
98.20713	1.4
109.10119	0.6
132.08102	0.8
165.40979	0.6
209.10809	0.8
211.12392	1.2
225.13924	0.9
235.12341	0.7
237.13919	1.4
238.14645	0.7
246.11247	0.6
247.12415	1.0
249.13811	1.4
260.13269	0.9
261.14096	1.5
262.13416	1.1
274.13586	0.8
275.15460	1.8
276.15158	1.1
278.16574	1.2
290.16599	1.0
302.16669	0.8
303.13812	0.7
306.87796	0.7
316.18076	1.2
324.15097	0.7
340.18097	0.8
352.17764	0.8
354.19690	1.2
363.16357	0.9
365.17752	2.2
366.19043	1.1
368.21448	0.9
377.17587	3.2
378.18744	1.3
379.19244	2.7
380.16455	0.9
380.21024	0.8
381.20929	1.0
391.19315	4.0
392.20193	2.6
393.20822	2.6
394.17834	0.9
395.18689	1.9
405.20901	2.4
406.22009	3.4
407.22754	4.3
408.19656	1.9
409.20239	5.4
421.24219	5.9
422.21289	2.1
423.21951	6.1
424.22672	1.6
436.24066	0.8
437.19525	2.3
437.23898	2.2
447.21655	0.7
450.20786	0.8
451.21347	2.1
454.24564	1.0
464.22198	0.9
465.23044	8.8
466.24039	1.1
479.24435	2.7
481.22318	1.3
482.23495	1.9
493.25836	1.5
494.26984	0.9
495.27667	2.3
496.24850	1.7
497.25644	3.1
507.27444	1.5
508.27322	1.1
509.25665	2.2
510.26108	0.7
511.27136	11.2
519.24359	0.7
523.22290	0.8
524.25732	0.7
525.29144	3.3
527.26929	1.2
533.25360	1.1
535.27124	1.1
537.24994	3.4
539.26666	3.1
540.27155	1.1
551.26349	1.4
552.27161	2.8
553.27594	0.8
555.26373	1.8
567.29736	22.0
568.29773	1.7
569.27820	4.2
575.50299	0.8
579.25793	3.1
582.29333	0.9
583.29169	22.0
584.30042	4.0
593.27539	10.8
594.27380	0.8
599.32318	100.0
600.32684	2.7
611.28699	19.2
625.30359	1.8
627.27441	1.3
643.31335	13.8
655.27692	4.1
687.30072	2.2
687.47882	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	687.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76442	1.6
54.20532	1.9
55.05487	2.1
63.54370	1.8
67.05505	4.1
69.07055	5.8
69.82507	1.6
79.05482	2.3
81.07050	5.0
81.96271	1.7
85.30003	1.6
91.05449	2.4
93.07025	3.6
95.04988	1.8
105.07011	2.0
109.10197	1.7
119.08569	2.1
121.10190	1.8
161.40532	2.0
188.33102	1.8
213.07886	1.7
223.81886	1.9
308.28870	1.9
312.15070	2.0
314.16739	2.4
339.47452	2.0
352.17819	3.2
364.17828	2.0
377.17743	4.0
379.19098	3.2
391.19284	2.7
392.20016	3.9
393.20969	4.0
405.20776	3.4
406.21753	1.9
407.22336	5.7
409.20132	6.5
421.23840	8.0
423.21689	7.4
437.19119	3.4
449.19943	2.9
451.21063	3.5
461.23422	2.1
465.22684	9.2
479.24536	3.2
497.25290	2.9
511.27267	11.3
525.28430	3.3
537.24927	3.4
567.29706	24.0
579.25635	2.5
583.29315	14.8
584.29761	3.4
593.27728	9.6
599.32275	100.0
600.32117	2.7
611.28699	19.3
643.31268	18.2
655.27637	2.1
686.47235	6.6
687.29834	3.5
687.48505	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	687.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99871	0.4
53.03935	0.4
63.55198	0.4
67.05518	0.4
76.93916	0.4
79.05459	0.4
80.27828	0.4
81.07055	0.4
91.05468	0.5
95.08560	0.4
98.20746	1.5
118.06587	0.5
120.08131	0.6
121.88535	0.4
122.09668	0.5
132.62054	0.4
144.08096	0.7
146.06006	0.7
158.09671	0.4
161.10913	0.5
170.09785	0.5
182.09669	0.6
185.10745	0.5
211.12334	0.5
215.11765	0.5
220.09885	0.5
221.10713	0.9
223.08914	0.4
223.12376	0.7
224.13075	0.7
225.13896	0.5
229.60150	0.5
233.10715	0.8
235.12442	0.5
237.13898	1.4
238.14783	0.6
239.15480	0.7
247.12404	1.2
249.13863	1.1
251.15446	0.6
259.12491	0.4
260.12903	0.4
261.14151	2.4
263.15656	0.6
272.91043	0.4
273.12411	0.4
274.14618	0.4
275.15387	1.4
276.15179	1.3
277.16354	0.5
286.13589	1.0
287.15283	0.7
288.11292	0.5
288.15466	0.5
289.16946	0.9
290.16974	0.6
300.14850	0.6
302.13144	0.4
302.16696	0.5
303.17245	0.6
304.17856	0.5
312.14984	0.7
313.15753	0.5
314.16614	0.8
318.16165	0.6
320.14056	0.6
324.15073	0.8
326.16354	0.6
328.18164	1.0
338.16739	0.7
340.18094	1.3
342.19833	0.6
350.16104	0.7
351.16528	0.5
352.18130	0.9
354.19717	1.0
362.15707	0.6
363.16315	1.5
364.17737	0.8
365.17828	1.8
366.19418	0.7
367.19836	0.7
368.21054	0.8
375.16278	0.9
376.17505	0.8
377.17685	3.9
378.18796	1.4
379.19531	2.7
380.20340	0.6
381.21039	0.5
389.17801	0.6
390.18820	1.3
391.19354	5.1
392.20508	2.4
393.16321	0.6
393.21057	3.0
394.18079	0.8
395.18756	1.8
396.19913	0.7
405.21085	2.6
406.21829	3.6
407.17728	0.8
407.22971	4.5
408.18985	0.8
408.23700	0.6
409.20221	6.7
409.25159	0.4
410.20291	0.5
418.17673	0.5
419.22562	1.2
420.23471	0.9
421.24332	5.8
422.21161	1.2
423.21954	6.4
424.22345	1.8
433.19864	0.6
435.22339	0.5
436.22501	0.5
437.19022	4.2
438.24051	0.5
440.23492	1.1
448.20218	0.8
449.19580	0.9
450.20419	1.1
451.20856	2.0
461.23608	0.6
462.22308	0.5
463.21552	1.2
464.22223	0.7
465.22958	10.4
466.23727	1.0
467.20181	0.8
467.25272	0.7
475.23770	0.5
476.23178	0.6
477.23120	0.5
478.22977	0.6
479.24530	3.7
480.25140	1.3
481.22235	0.9
482.23386	1.5
483.23923	0.7
488.25153	0.4
492.24649	0.6
493.25952	1.6
494.26453	1.3
495.28375	4.1
496.24780	1.8
497.25687	2.7
498.26459	0.4
502.27048	0.8
507.27374	1.7
508.27829	1.2
509.25540	1.0
510.26144	1.6
511.27200	9.5
512.26788	0.5
523.22601	0.8
524.25128	0.8
525.29010	2.2
526.26544	0.5
535.26770	1.3
537.24982	3.7
538.25592	0.8
539.26587	4.7
540.27612	0.9
541.28149	1.6
551.26593	1.6
552.27576	2.1
553.28387	0.6
555.25928	2.1
567.29712	25.2
568.30115	1.2
569.27655	4.6
570.27985	0.7
578.25043	0.7
579.26190	0.9
583.29163	10.6
584.29736	4.3
593.27570	9.9
594.27423	0.7
599.32306	100.0
600.32727	3.5
611.28625	10.4
612.29211	0.5
643.31421	10.1
655.27008	1.1
686.47290	0.6
687.30652	2.4
687.47284	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65909	0.6
53.03956	2.4
55.01864	1.0
55.05511	10.5
55.05784	0.6
57.03440	12.2
57.07075	2.2
59.05010	3.7
61.02930	4.9
65.03943	2.1
67.05508	93.5
69.03433	1.6
69.07072	6.4
69.36259	1.0
69.36657	3.4
71.05005	2.8
73.02907	1.2
79.05495	16.1
81.03411	1.0
81.07061	34.9
83.04966	0.6
83.08627	7.2
85.02905	3.6
85.06557	2.6
91.03963	1.7
91.05482	13.9
91.06020	1.1
93.07050	22.5
95.04987	0.9
95.08611	22.6
96.04553	0.6
97.02898	2.0
97.06525	1.3
97.10182	2.0
99.08084	0.9
105.04521	0.7
105.07025	6.4
107.08607	13.9
109.06540	1.3
109.10162	74.1
111.08080	2.9
117.07027	2.3
119.08587	9.7
121.10152	8.7
123.08060	0.8
123.11724	3.9
125.09635	1.4
131.08578	4.8
133.10127	5.2
135.11707	6.4
137.09615	4.0
137.13243	1.0
145.10123	3.7
147.11678	3.1
149.13275	4.1
151.69052	0.6
155.10663	9.6
159.11696	3.1
161.13327	2.9
163.14819	1.9
173.11781	17.9
173.13263	2.7
175.14900	0.9
187.14888	1.4
189.11240	0.7
193.96924	0.6
201.16429	0.9
227.12799	5.6
229.14365	100.0
230.14784	1.0
243.21179	5.0
261.22147	15.8
263.23727	0.8
275.17532	0.6
287.05533	1.8
292.54950	0.6
317.24918	2.7
335.25809	73.3
336.26132	1.8
397.31113	1.4
411.81711	0.6
415.31818	1.3
449.32843	0.7
471.34576	1.2
489.35803	42.0
490.36227	1.8
505.93851	0.6
507.36835	4.9
687.29681	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23539	0.7
53.03933	1.5
55.01878	1.0
55.05516	13.2
57.03193	1.1
57.03443	12.4
57.07068	2.5
59.05000	4.1
59.64618	0.8
61.02916	3.1
62.02267	0.8
65.03947	2.1
67.05508	100.0
69.03414	2.8
69.06787	0.8
69.07078	8.6
69.17480	4.6
69.17905	3.9
71.04980	3.6
71.08630	0.9
73.02912	1.7
76.92299	0.8
79.05071	1.5
79.05498	23.1
79.68134	1.0
81.03414	1.0
81.07061	39.9
83.04953	0.9
83.08624	8.1
85.02924	4.6
85.06529	3.1
91.03992	1.4
91.05489	14.8
93.06486	1.6
93.07053	26.2
93.25405	0.8
93.91741	0.8
95.04961	1.9
95.08611	30.5
97.02870	2.5
97.06524	1.7
97.10180	2.0
99.08095	1.1
105.07038	6.9
107.08597	15.1
108.16575	0.8
109.10161	80.3
111.08049	2.5
117.07044	4.0
119.08597	12.1
121.10140	14.1
123.11740	4.1
125.09663	0.9
131.08580	5.0
133.10146	6.1
135.11700	6.9
137.09618	4.0
137.13235	1.3
145.10103	5.5
147.11647	4.8
149.13237	3.2
155.10689	9.0
159.11684	3.1
161.13324	2.2
163.14819	1.8
173.11804	14.7
173.13277	3.5
187.14815	2.5
227.12782	3.9
229.14366	92.4
233.22842	1.1
243.21054	5.1
261.22147	20.2
287.05508	6.0
306.27939	1.2
306.62567	1.0
317.24667	2.8
335.25809	73.6
336.26163	1.3
397.31012	1.2
415.31583	1.4
471.34595	1.5
489.35782	67.5
490.35809	2.3
507.36612	4.0
687.29791	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.0
56.84832	0.8
57.07071	1.3
59.51177	0.6
64.55027	0.6
64.83452	0.7
67.05515	4.2
69.07063	1.1
71.08632	1.9
71.30139	0.7
71.30464	0.8
79.05492	3.1
81.07059	4.5
83.08651	1.0
90.07012	0.8
91.05476	2.4
93.07051	2.4
95.04998	0.9
95.08618	2.6
105.07027	2.2
107.08622	1.7
109.10195	1.2
110.25435	0.6
119.08611	1.5
133.10124	0.7
135.11662	1.4
154.16029	0.6
161.13292	0.7
190.71104	0.6
212.01396	0.7
249.83011	0.6
250.17941	0.9
317.20959	4.9
331.26413	1.5
335.21954	4.2
373.23483	3.5
391.24567	3.8
573.48785	1.9
625.26288	1.5
685.46509	100.0
686.47247	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	684.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.7
53.03947	3.1
55.01877	1.2
55.05514	8.7
57.03447	3.2
60.73680	0.5
61.02927	0.7
61.68216	0.5
65.03938	1.4
67.05508	25.2
69.03419	0.6
69.07069	5.2
69.36689	2.5
69.37109	1.6
71.05000	0.9
73.06547	0.9
77.03941	0.6
78.65459	0.5
79.05497	39.8
81.03432	4.7
81.07061	19.7
83.04984	6.5
83.08630	4.2
85.02920	0.5
85.06548	1.3
91.05481	29.8
93.07047	37.8
95.04974	9.7
95.08604	12.8
97.02927	0.7
97.06548	2.6
97.10181	1.3
99.08097	0.5
101.06010	0.6
103.05535	0.8
105.04530	1.6
105.07036	23.6
107.04971	3.2
107.08595	9.4
109.06512	3.1
109.10152	2.6
111.66107	0.5
117.07027	5.1
119.08584	13.3
121.06506	1.5
121.10162	2.3
123.08089	3.0
125.00146	0.5
127.07541	0.8
128.06235	1.1
129.07004	10.3
131.08574	2.2
133.06505	0.8
133.10149	6.0
135.11703	1.1
140.47220	0.6
143.08592	4.7
145.10150	5.7
147.08067	1.6
147.11693	17.5
154.39993	0.5
161.09705	2.4
161.13264	6.6
163.11140	0.8
171.11696	15.3
173.04434	0.6
179.14287	1.1
189.12708	7.1
207.13808	18.7
225.14952	1.9
236.16444	2.2
263.16516	1.8
281.17487	44.2
282.17722	0.9
359.54483	0.6
378.45587	0.5
444.83752	0.5
469.29297	2.4
487.30579	100.0
488.31122	3.7
550.12604	0.6
564.34076	0.6
673.41516	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.6
55.01878	3.7
55.05511	3.1
56.05832	1.1
57.03421	1.5
61.02908	2.0
67.05468	0.6
68.99792	1.0
69.03437	9.4
70.70785	1.3
70.71161	1.3
71.04972	1.4
73.02895	2.0
79.05465	3.0
81.03423	18.2
81.07037	0.9
82.06547	1.3
83.08598	2.4
84.08952	1.2
85.02910	25.6
87.00381	0.7
87.00838	8.6
91.03884	0.7
91.05472	1.8
95.04922	1.0
97.02898	12.7
99.04457	4.5
100.11259	10.7
101.11589	6.1
102.04655	0.8
102.11913	1.2
103.05463	2.1
105.01871	6.9
105.06985	1.2
106.04127	1.1
107.04957	7.5
108.04452	2.1
109.02886	12.1
111.04408	1.8
115.05443	4.0
117.01822	1.1
117.07024	12.4
118.04128	0.7
119.08554	0.8
123.04404	1.3
124.05196	1.4
126.05523	0.9
127.03926	18.6
129.01804	1.4
129.07091	1.3
130.04147	0.6
131.04918	1.5
131.08554	2.6
133.06464	1.0
137.06079	1.0
141.06981	0.9
144.05678	2.3
145.04961	8.5
145.06476	26.8
147.04349	1.1
147.08020	1.0
152.04681	1.4
152.18796	0.7
155.04945	0.8
155.06062	4.8
156.05717	5.5
157.06522	1.9
159.02927	5.9
159.08061	4.8
160.05260	0.8
161.05969	2.5
167.07056	47.4
169.07588	0.8
173.05995	56.3
175.07556	1.4
181.05002	0.7
181.08681	1.0
182.15411	3.6
183.06473	0.7
183.15715	2.7
184.05229	2.1
184.16005	2.0
185.16208	1.0
187.07568	5.6
190.06270	30.6
191.07050	1.6
193.08607	1.2
195.06599	0.8
202.06238	3.5
202.07872	0.8
203.07010	6.1
205.08618	100.0
207.06528	2.2
207.10130	0.7
209.16531	2.7
210.14926	2.0
210.16872	1.9
211.15179	2.3
211.17091	1.5
212.15434	2.4
213.15683	1.3
213.74706	0.7
215.06961	1.1
217.08620	39.7
219.08087	1.7
219.10181	4.4
220.08804	0.9
223.09706	2.2
227.19373	1.0
231.05046	4.9
231.08073	1.1
231.10104	1.0
233.09724	0.8
235.09659	32.5
247.07555	1.3
247.09732	8.2
248.07964	2.0
249.05849	0.8
249.11293	1.5
254.05789	0.7
261.09106	0.9
263.10834	0.9
265.10727	51.6
266.08646	0.9
269.08154	0.9
271.09653	2.1
276.07813	0.9
277.08548	1.0
279.10248	1.1
282.09039	1.1
290.09525	0.9
291.10199	2.5
292.07425	1.0
293.08185	1.4
299.08914	1.1
307.09702	1.6
308.10391	1.3
315.08646	6.5
321.11380	1.1
323.12717	1.9
328.28564	1.3
330.11005	13.5
331.11685	3.6
336.10095	0.9
339.12320	2.0
343.11758	1.3
351.12415	3.9
351.24414	1.5
369.13281	2.7
371.14966	3.3
372.08701	0.7
383.14935	17.8
385.16840	0.8
401.15982	26.5
417.15656	0.8
534.34821	0.7
593.39227	0.7
665.51068	2.2
683.52356	29.6
684.52484	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	683.488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04728	1.8
53.03946	8.2
55.01869	7.8
55.05513	33.0
57.03191	1.7
57.03440	19.8
57.07069	4.1
59.04994	2.3
61.02922	5.2
65.03933	5.2
67.05508	100.0
69.03426	5.8
69.07070	30.4
70.07990	7.1
71.04991	7.0
71.08608	1.7
73.02925	2.4
75.04471	4.1
77.03915	2.6
77.26447	1.5
79.05495	72.4
81.03429	6.0
81.07059	89.7
83.04977	7.7
83.08622	18.7
85.02892	4.6
85.06545	4.5
91.05483	74.8
93.07047	82.3
93.07635	4.0
95.04981	8.6
95.08610	76.7
97.02905	3.6
97.06534	10.6
97.10187	10.1
101.61788	1.8
103.05481	4.2
105.04538	2.6
105.07035	68.1
106.07372	1.8
107.04951	4.0
107.08599	55.0
107.09301	3.2
109.02865	2.0
109.06548	4.5
109.10152	48.6
111.08110	3.9
115.05450	3.9
117.07020	31.2
119.08585	66.5
121.06557	2.0
121.10145	41.3
123.08061	5.4
123.11731	8.1
125.09671	5.7
127.03962	1.8
128.06223	7.9
129.07014	29.8
130.07712	2.5
131.07039	5.1
131.08569	48.2
133.06543	2.0
133.10126	44.1
135.08115	3.0
135.11682	24.0
137.09674	5.9
137.13249	2.7
141.06992	10.0
142.07808	5.3
143.08569	32.1
144.09399	2.0
145.10123	42.9
147.08037	2.3
147.11699	29.6
149.09665	6.3
149.13260	15.8
151.11205	3.4
153.06976	2.5
154.07851	2.6
154.73895	1.7
155.08542	18.1
155.10606	2.5
156.09402	3.2
157.10129	30.9
159.11702	31.6
161.13274	16.7
163.11169	3.4
163.14857	2.5
165.12738	2.6
167.08577	8.0
168.09395	3.7
169.10144	22.0
170.11011	2.2
171.11674	24.3
173.11795	5.4
173.13307	21.4
175.11290	2.5
175.14868	8.9
179.08534	2.5
181.10133	11.8
183.11681	20.1
185.13235	20.9
187.14841	11.9
189.16397	3.1
191.14235	2.4
193.10178	5.4
195.11731	13.7
197.13206	14.3
199.14835	14.4
201.16429	4.0
205.10367	1.9
207.11801	6.1
209.13263	11.8
211.14685	8.6
213.16548	7.5
215.18011	3.3
217.19508	1.7
221.13350	3.7
221.15430	2.1
223.14848	7.8
225.16393	8.1
227.12762	6.1
227.18024	5.6
229.14340	19.9
231.17177	1.8
231.21324	2.1
235.14825	3.3
237.16394	3.7
239.18044	5.2
241.19516	9.3
253.19681	4.0
257.19092	4.5
259.20593	19.4
260.84488	1.9
261.18723	2.2
263.18143	1.9
265.19641	4.1
275.20087	16.6
277.21826	2.3
285.22189	2.4
291.19495	2.5
297.22040	3.5
311.23779	2.0
315.23267	4.0
321.22153	2.6
323.23834	2.4
329.24738	2.1
331.22598	2.5
333.24255	26.9
337.25443	4.2
339.27264	1.7
349.23517	10.0
351.25403	12.5
355.26517	2.0
373.18710	2.6
399.24152	2.2
405.30746	2.2
407.28537	2.4
423.27649	3.7
431.32117	2.7
447.32700	4.8
448.61905	1.9
499.39200	4.6
503.33844	17.7
517.40332	14.4
521.35071	9.4
535.41553	7.2
591.44104	17.8
609.45044	10.5
627.46112	3.4
665.47705	6.8
683.38562	3.2
683.48834	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	683.4494
Annotation	Phepropeptin A
Peak:m/z	Relative Intensity
50.92068	0.6
55.05501	3.0
57.03427	1.2
57.07070	2.1
57.23646	0.6
63.07887	0.7
64.27237	0.6
67.05509	5.9
69.07061	3.5
69.79190	0.7
71.08640	3.1
75.72887	0.7
79.05494	4.2
81.07058	5.2
82.07389	0.8
83.08613	0.8
91.05476	3.3
93.07048	4.0
94.07405	0.6
95.08622	5.4
97.06461	0.8
97.10143	1.0
98.21442	1.6
99.08114	0.9
102.43771	0.6
105.07016	3.4
107.08592	2.1
108.08942	0.9
109.10163	2.2
113.00016	1.8
117.07038	1.3
119.08597	2.7
121.10138	1.5
125.09615	0.9
131.08589	1.5
133.10176	1.3
135.11772	1.3
145.10132	1.0
147.11681	1.5
149.13231	0.6
158.04602	0.7
159.11696	1.4
161.13234	1.0
169.02602	1.4
176.24068	0.7
179.14409	0.9
247.13185	0.8
259.20627	0.8
293.21347	1.5
313.27417	2.2
315.19476	0.7
315.22955	0.9
317.20874	7.5
333.20337	2.1
337.27521	0.8
338.27701	0.8
373.23407	5.6
389.22891	2.1
502.07184	0.7
504.37933	0.9
532.40936	0.9
571.47351	4.7
586.38580	1.7
595.36029	1.5
597.37683	15.7
598.38306	0.7
665.43738	2.1
683.44910	100.0
684.45148	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	683.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00305	0.4
55.05506	1.8
57.03444	0.8
57.07078	1.1
60.03060	0.4
64.35637	0.4
67.05502	4.1
69.07059	1.9
71.08646	0.6
71.53648	0.6
79.05499	3.3
81.07053	3.9
91.05458	2.4
93.07054	3.5
95.04947	0.5
95.08601	2.8
105.07046	2.2
107.08604	2.0
109.10145	1.4
113.00040	0.9
117.07005	0.7
119.08581	1.6
121.10153	0.9
123.08091	0.6
131.08585	1.2
133.10170	1.3
135.11742	0.9
145.10121	1.0
147.11713	1.2
149.13382	0.5
159.11725	0.8
166.95938	0.5
169.02614	0.6
171.11775	0.5
173.13319	0.7
175.20096	0.5
185.13300	0.7
192.04898	0.4
241.19514	0.8
247.13084	0.7
255.23233	1.2
256.23569	1.0
259.20691	0.8
266.11288	0.5
304.26535	0.7
305.26443	0.6
313.27304	1.3
317.21106	1.1
333.20291	7.7
373.23453	1.2
389.22983	4.6
461.25415	0.8
553.25677	0.6
571.47437	2.5
597.37360	1.3
683.44904	100.0
684.45453	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	683.4494
Annotation	Phepropeptin A
Peak:m/z	Relative Intensity
53.03943	0.5
55.05503	0.7
57.03433	0.6
57.07074	0.6
59.38221	0.4
59.63654	0.4
67.05520	2.7
69.07060	1.5
71.17998	0.9
71.18335	0.4
79.05491	3.0
81.03427	0.6
81.07048	3.4
83.08604	0.7
87.32232	0.4
91.05495	2.8
93.07040	3.0
95.04956	0.6
95.08612	1.3
97.06552	0.7
105.07038	1.6
107.08602	1.4
109.10175	1.5
113.00053	0.7
117.07037	0.8
119.08611	1.5
121.10149	1.1
131.08583	1.1
133.10139	1.1
135.11693	1.0
147.11710	1.1
242.79156	0.5
259.20639	0.6
313.27383	0.6
317.20825	0.6
333.20367	6.9
373.23679	1.0
389.22971	3.1
427.07880	0.5
564.24207	0.5
571.47119	1.2
683.44934	100.0
684.45056	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	683.4489
Annotation	Phepropeptin A
Peak:m/z	Relative Intensity
54.65851	0.5
55.05498	1.4
57.03428	0.6
57.07065	1.1
63.56838	0.6
67.05502	4.3
69.07058	1.8
71.08630	1.1
79.05513	3.5
81.03430	1.4
81.07069	4.0
83.04987	0.7
83.08630	1.1
91.05467	2.5
93.07050	3.3
95.04975	0.7
95.08619	3.4
98.20717	1.0
105.07024	2.5
107.08625	1.7
109.06557	0.6
109.10169	1.1
113.00027	0.6
119.08602	2.3
121.10158	1.5
123.22043	0.5
129.06985	0.6
131.08580	0.7
131.18408	0.5
133.10150	1.7
135.11716	1.2
145.10217	0.6
147.11681	1.2
168.84540	0.5
173.13440	0.5
241.19504	0.9
241.36710	0.5
259.20657	0.7
313.27475	1.0
315.23322	0.7
317.21027	0.9
318.23703	0.6
333.20432	5.2
340.96054	0.5
366.15781	0.5
373.23691	1.4
389.23038	4.1
425.42310	0.5
571.47083	3.5
683.44940	100.0
684.45703	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	683.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01878	0.3
55.05509	0.3
57.03442	4.4
61.02924	0.7
69.03133	0.2
69.03439	2.1
71.04993	1.1
71.15441	0.4
73.02926	1.5
75.04499	0.9
81.03421	4.5
83.04984	0.7
85.02911	6.9
87.04454	0.4
93.05531	1.2
95.01353	0.7
97.02898	2.9
97.58523	0.2
99.04461	12.2
103.03947	4.3
109.02887	11.3
110.03653	0.2
112.08937	0.2
113.02412	0.5
115.03967	0.3
117.05502	17.0
127.03925	100.0
128.04309	0.9
137.05968	0.2
141.01860	1.0
145.04964	3.0
147.04411	0.3
148.83066	0.2
157.04974	0.4
157.08656	0.3
159.02907	0.3
159.06551	2.6
169.04984	0.3
183.06561	2.2
187.06004	1.4
193.05026	0.2
201.07581	7.0
205.07114	0.7
211.06032	0.6
219.08644	5.5
225.07635	0.8
229.07094	1.4
243.08632	0.5
247.08202	1.0
257.06525	0.3
261.09793	1.3
271.08154	1.3
279.10855	0.2
289.09216	0.6
293.08777	0.9
309.09753	0.6
327.10782	2.7
341.08572	0.2
345.11813	7.5
359.09647	1.3
363.12888	5.1
373.11322	0.3
377.10782	0.3
485.12686	0.3
503.13864	0.5
521.15210	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.449
Annotation	Phepropeptin A
Peak:m/z	Relative Intensity
52.04011	0.7
55.05513	1.7
57.03446	1.0
57.07067	2.2
67.05495	4.8
69.07090	2.0
70.11150	0.7
71.08648	1.9
79.05491	3.9
81.03413	1.2
81.07064	5.7
83.08624	1.6
88.42144	0.7
91.05492	3.2
93.07071	2.9
95.04966	1.1
95.08609	4.8
98.21600	1.6
105.07054	2.5
107.08610	1.9
109.10173	1.9
113.00062	0.9
115.38354	0.8
117.07042	0.8
119.08617	2.1
121.10175	1.3
133.10139	2.2
135.11693	1.9
145.10117	2.0
147.11763	1.4
149.13361	0.8
159.11641	0.9
161.13264	1.3
195.11401	0.9
313.27432	1.7
315.19400	1.3
317.20853	4.5
326.18817	0.8
333.20273	3.9
345.93546	0.8
373.23599	1.6
389.23105	3.9
571.47156	2.8
643.25006	1.2
683.45001	100.0
684.45404	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	682.525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
55.01873	6.4
55.05515	33.8
57.03420	11.0
57.07063	11.8
57.42017	3.0
65.03921	3.7
67.05506	92.6
69.03419	4.6
69.07066	30.9
71.04962	3.8
71.08622	7.6
73.02853	2.9
79.05070	4.5
79.05495	62.8
80.01077	2.9
81.03412	8.3
81.07057	85.1
83.04964	8.5
83.08608	20.6
85.06546	5.5
85.10184	7.1
91.05482	56.9
91.08254	2.5
93.07047	74.4
94.07356	3.5
95.04981	13.9
95.08609	59.2
97.06498	7.5
97.10165	6.0
98.21532	6.5
99.08095	8.3
105.07040	40.9
107.08598	40.9
109.10155	22.5
111.08106	5.4
113.09641	4.4
117.07016	19.1
119.08590	32.3
121.10152	27.1
123.11713	8.7
125.09615	6.2
129.07025	17.8
131.08577	31.1
131.81612	2.8
133.10176	23.2
134.95914	3.1
135.11685	19.3
137.09648	3.8
137.13303	4.6
139.11183	6.4
141.07014	6.4
143.08569	12.5
145.10117	25.0
147.10623	3.5
147.11624	15.2
149.09575	2.9
149.13280	13.5
150.02043	2.7
151.07492	2.7
151.11215	3.8
151.39928	2.5
155.08525	6.0
156.09351	3.1
157.10164	14.3
159.11668	17.4
159.43002	3.2
161.09554	3.2
161.13228	11.3
163.11180	3.8
163.14804	8.2
169.10011	6.0
171.11705	10.3
172.05963	3.0
173.13264	9.8
175.14847	6.3
177.12697	4.8
179.14326	4.0
183.11581	4.2
185.13226	4.8
187.14798	7.7
195.11647	3.4
195.13753	3.3
197.13223	5.2
201.16377	4.2
229.14246	5.3
241.27803	2.7
243.21097	5.8
261.22073	11.2
269.17520	15.5
277.21713	5.8
311.95157	3.6
313.27457	6.5
314.27655	4.8
317.24835	3.4
321.25015	2.8
327.22821	3.1
335.25818	32.3
351.25143	7.9
425.33609	3.8
426.21939	3.2
437.34158	14.7
455.35382	4.1
473.36191	4.8
511.37756	6.1
515.37427	15.9
517.38324	7.5
519.41559	5.1
520.40814	7.1
527.37067	8.0
529.38922	100.0
537.42645	5.1
547.39313	5.6
562.52271	3.0
563.35559	3.3
611.46814	31.0
629.47522	25.9
651.28247	4.2
664.42163	5.6
682.43445	55.6
683.44812	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	680.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.7
55.01868	6.4
55.05519	32.0
57.03449	13.2
57.07068	7.8
59.91833	2.0
65.03951	5.4
67.05511	100.0
69.03423	2.6
69.07075	31.3
69.26796	2.1
69.65963	10.7
71.05003	5.5
71.08643	15.2
77.03951	3.3
79.05501	77.0
81.03421	4.5
81.07064	79.6
83.04984	9.2
83.08629	19.4
85.06532	5.3
91.04913	3.1
91.05487	65.7
93.07054	80.4
95.04966	9.5
95.08610	60.2
97.06538	9.4
97.10183	11.2
99.08114	9.3
105.04526	2.5
105.07044	57.9
107.08601	41.9
109.06506	7.2
109.10175	30.2
111.08083	4.2
111.11711	3.3
113.09694	2.8
115.05476	4.0
117.07023	24.7
119.07806	3.2
119.08587	38.8
121.06556	4.0
121.10149	33.1
123.08094	3.5
123.11691	7.0
125.09639	6.2
127.00227	2.4
128.06223	2.8
129.07033	13.0
131.08569	35.2
133.06590	2.1
133.10141	33.0
135.11705	21.7
137.09622	3.8
137.13217	2.9
140.15366	2.2
141.07030	3.8
143.08578	14.4
145.10139	23.0
147.11694	18.2
149.09627	4.5
149.13278	15.4
151.11166	5.5
155.08592	5.3
157.10141	15.7
159.11693	22.6
161.13232	15.0
163.11226	3.0
163.14819	3.5
167.08554	3.4
169.10121	9.1
171.11653	14.9
173.11815	4.5
173.13252	13.1
175.14876	7.0
177.12827	3.5
183.11697	6.4
185.13307	8.0
187.14848	8.1
189.16344	3.2
195.13823	4.0
197.13257	6.5
199.14922	7.5
201.16454	2.2
203.17947	2.4
211.14813	2.9
212.24615	2.2
213.16356	3.9
223.14832	3.2
225.16402	2.6
225.83759	2.4
227.12804	5.2
229.14331	6.7
235.68661	2.3
237.16333	3.2
239.17883	3.0
239.99384	2.2
241.19505	3.1
243.21208	6.9
257.18875	3.4
259.20535	14.6
261.22202	12.2
263.23627	2.7
269.17542	8.3
275.20081	6.1
277.21707	7.6
293.21164	41.7
297.22092	2.5
315.23108	4.3
317.17953	2.5
317.24924	5.6
333.24359	7.6
335.25815	24.5
349.23737	2.9
351.25458	3.6
367.24841	12.4
413.53656	2.5
527.37195	10.5
531.80518	2.4
545.38287	10.0
588.54254	2.6
593.45190	3.3
606.91437	2.6
609.44257	3.4
611.46661	23.5
627.45929	24.3
633.44629	2.4
645.45813	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	680.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.7
55.01861	9.7
55.05509	32.9
57.03436	13.2
57.07057	7.4
65.03934	4.1
67.05506	100.0
69.03416	2.7
69.06738	2.3
69.07073	30.7
69.26601	22.5
71.04987	6.5
71.08612	3.9
71.86076	2.1
77.58054	2.4
79.05495	72.1
79.61874	2.0
81.03395	5.1
81.07058	97.3
83.04974	8.8
83.08627	19.5
85.06549	5.2
90.56721	2.6
91.04917	2.7
91.05486	61.8
93.07047	82.8
94.07372	3.6
94.11630	2.7
95.04955	8.9
95.08611	59.3
96.08940	3.5
97.06525	10.5
97.10165	7.5
97.47553	2.3
99.08079	5.5
105.07037	59.5
107.04941	3.5
107.08607	41.5
109.06529	6.2
109.10155	28.9
111.08061	6.9
117.07015	22.7
119.07825	3.0
119.08593	40.7
121.06525	2.4
121.09354	2.7
121.10158	33.9
123.08099	5.1
123.11698	6.4
125.09605	4.9
129.06972	9.6
131.08571	30.3
133.10123	26.4
135.08121	3.0
135.11688	24.8
137.09570	5.1
141.06998	4.0
142.91753	2.4
143.08548	10.9
145.10126	27.6
147.11702	23.3
149.09549	5.0
149.13254	12.7
151.11139	4.2
155.08536	8.2
157.10109	10.1
159.11720	17.0
161.13284	12.9
163.11188	5.3
163.14847	4.0
167.08611	2.8
169.10146	8.2
171.11713	8.4
173.13245	10.6
175.14819	5.7
177.12778	4.5
179.14226	3.3
181.10123	3.9
183.11670	6.9
185.13264	7.7
187.11168	2.4
187.14867	5.8
195.13750	2.8
197.13344	4.8
199.14827	5.7
201.16402	2.9
211.14850	4.0
213.16451	4.7
215.17899	2.4
227.12659	4.3
229.14384	13.4
229.19550	2.5
241.19524	5.5
243.21141	8.0
247.16917	2.8
255.15970	10.5
257.18854	2.9
259.20416	11.5
261.22162	13.6
267.15723	3.0
269.17447	14.8
275.20084	17.5
317.24796	4.6
333.24179	8.6
335.25833	50.1
336.25891	3.0
349.23676	11.2
351.25150	3.7
367.24805	5.5
435.32516	3.9
437.34146	3.3
489.35745	16.8
497.36618	3.6
513.35577	4.6
515.37396	16.6
517.39868	6.1
527.37360	19.0
529.38989	32.8
539.97058	2.4
545.38464	2.9
609.45013	28.7
627.46063	21.7
680.41895	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	680.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35634	1.5
53.03944	5.0
55.01861	3.6
55.05512	22.5
56.21060	1.6
57.03439	9.4
57.07067	3.7
65.03929	2.6
67.05507	60.1
67.52012	1.5
69.07070	20.6
69.16393	15.6
71.04972	4.6
71.08634	43.8
74.09725	1.5
79.05495	55.7
79.59578	1.4
81.03408	5.2
81.07061	68.3
81.38382	1.7
83.04977	10.2
83.08623	17.2
85.06535	4.3
87.23270	1.4
91.05478	39.2
93.07045	68.8
93.07634	3.6
95.04971	11.7
95.08610	44.1
97.06519	12.0
97.10164	5.6
99.08092	31.7
105.04495	2.3
105.07027	28.4
107.04951	7.5
107.08599	38.9
108.96161	1.3
109.06501	5.2
109.10166	15.9
111.08058	4.7
113.09632	6.3
115.05489	1.4
117.06992	5.6
119.08595	20.4
121.06509	3.8
121.10138	31.5
122.69980	1.4
123.08050	3.0
123.11698	3.8
125.09658	2.8
129.07007	4.1
131.08566	8.5
133.06487	1.9
133.10138	18.2
135.08028	2.0
135.11691	32.7
135.64146	1.5
139.11121	2.1
141.09108	3.6
143.08539	3.7
143.88196	2.2
145.10118	10.7
147.11725	8.8
149.13257	15.8
151.11179	26.9
157.10092	4.4
158.42091	1.6
158.50682	1.4
159.11684	6.6
161.13271	15.9
163.11206	14.8
163.14777	3.5
167.10637	2.2
171.11688	3.7
173.13290	2.7
175.14908	2.8
177.12717	4.5
179.14316	71.8
185.13329	2.3
186.08212	1.9
195.13838	4.3
199.14604	1.9
227.12836	2.5
241.19511	3.8
251.16438	3.4
259.20480	8.6
269.17480	23.9
275.20230	2.6
277.21616	72.0
278.21994	1.8
293.21078	3.6
295.22672	3.8
326.42780	1.5
333.24457	2.7
335.25760	2.6
337.27045	2.0
349.23526	1.6
351.21100	3.4
351.25284	51.6
367.24841	3.0
369.26682	2.4
545.38391	100.0
556.10345	1.9
609.44995	3.4
627.46136	44.0
645.46216	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	678.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.6
55.01862	9.4
55.05523	27.6
57.03447	8.6
57.07073	10.3
65.03938	4.9
67.05508	88.0
69.03404	4.4
69.07072	29.4
69.32341	35.7
71.04993	5.7
71.08628	36.5
72.08151	5.1
79.05070	6.3
79.05495	69.1
81.03410	20.1
81.07058	91.5
83.04980	15.5
83.08618	18.9
85.06503	7.8
85.10171	4.6
85.21992	4.1
91.05484	73.2
93.07043	88.7
95.04957	17.0
95.08607	72.1
97.06522	16.7
97.10177	7.1
99.08094	21.4
105.07031	60.6
107.04967	16.5
107.08583	46.3
109.06512	7.3
109.10159	37.6
111.08081	5.3
113.09626	6.6
117.06962	6.8
119.08573	33.4
121.06560	7.2
121.10143	42.3
123.08066	9.7
125.09648	8.4
131.08548	14.0
133.10139	51.0
135.08026	5.6
135.11697	29.7
137.09599	11.8
145.10095	13.1
147.11716	13.1
149.09610	6.6
149.13251	13.1
151.11194	28.2
158.09485	3.7
161.09662	5.5
161.13266	16.2
163.11192	11.7
165.09079	7.1
177.09142	4.3
179.14316	89.8
195.13898	4.3
253.14417	33.2
259.20596	6.2
275.20114	32.2
277.21613	69.4
293.21027	14.1
335.25748	16.3
349.23938	27.5
351.25253	55.4
367.24850	42.0
377.86441	4.4
516.32404	4.2
549.49249	7.4
611.46570	14.4
625.44519	21.6
643.45697	100.0
678.34045	4.9
678.45148	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	680.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87587	1.2
52.84818	1.1
53.03952	2.6
55.01889	1.3
55.05513	9.9
57.03431	5.2
57.07071	2.5
59.05012	1.4
61.02925	18.2
65.03925	1.6
67.05507	52.6
68.05841	1.3
69.03429	4.5
69.07063	9.5
70.06606	1.4
71.04987	2.6
71.08661	1.2
71.18024	2.1
73.02914	7.6
79.05495	33.6
81.03431	3.4
81.07059	58.9
83.08623	5.7
85.02911	26.8
85.06528	2.8
91.03957	24.6
91.05476	19.3
93.07042	48.0
95.04969	4.1
95.08610	65.5
97.02310	1.6
97.02901	17.3
97.06530	3.4
97.10170	5.4
99.04442	2.9
99.08090	2.1
105.07029	15.3
107.08595	33.7
109.06503	2.1
109.10159	37.8
111.08092	2.8
113.09591	1.6
117.07024	7.5
119.08583	15.3
121.10149	29.8
123.08064	1.4
123.11715	12.5
125.09611	2.9
127.03937	9.4
130.24841	1.2
131.08589	14.9
133.10123	16.4
135.11696	28.7
137.09619	2.7
137.13268	2.7
139.11172	2.6
145.04974	12.6
145.10141	19.2
147.11700	15.0
149.09589	1.3
149.13252	22.7
151.11212	3.3
159.11710	16.6
161.13274	4.2
163.06024	15.3
163.11227	1.8
163.14828	8.2
165.12810	2.3
173.13271	14.7
187.14822	4.3
191.14299	2.0
201.16371	3.7
209.15462	1.2
219.21167	4.2
229.19511	39.2
229.30734	1.5
247.20580	100.0
265.21655	3.9
297.17780	1.2
303.49506	1.2
321.24243	32.9
339.25302	61.9
483.29541	9.3
680.32990	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	678.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95017	2.1
53.03941	7.8
55.01866	6.3
55.05514	42.9
57.03452	19.5
57.07067	3.5
65.03950	4.8
66.71458	2.1
67.05508	100.0
69.03434	4.0
69.07072	35.6
69.43726	19.4
71.04975	7.1
77.03953	3.0
79.05496	79.1
81.03410	7.0
81.07060	93.0
83.04974	9.5
83.08611	17.3
85.06542	4.0
91.05486	90.1
93.07045	86.3
95.04974	12.4
95.08615	54.7
97.06564	12.2
97.10162	11.8
99.08096	4.7
105.04530	3.3
105.07038	88.4
107.04931	7.4
107.08598	50.9
108.03125	2.6
109.06546	5.9
109.10177	22.0
109.42775	2.6
111.08041	5.5
112.51392	2.4
113.09570	3.4
115.05453	3.5
117.07024	37.9
117.12103	2.4
119.08586	61.5
121.06492	4.9
121.09432	3.0
121.10162	28.8
123.08083	5.3
123.11694	4.9
125.09551	4.7
128.06232	7.8
129.07016	18.2
130.07780	3.8
131.08574	33.8
133.10143	46.5
135.08080	5.9
135.11713	26.1
137.09680	3.2
141.06998	7.1
142.07762	5.6
143.08557	26.5
145.10138	40.2
147.07985	2.8
147.11685	33.2
149.09631	6.5
149.13263	12.7
151.11208	5.4
155.08569	13.3
157.10117	21.4
159.11690	32.4
161.09703	3.7
161.13287	19.1
163.11192	5.9
167.08556	8.4
169.10178	17.4
171.11693	19.5
173.09557	2.3
173.11923	3.4
173.13272	16.8
175.11136	4.9
175.14783	10.2
177.16376	2.5
181.10161	7.1
183.11725	13.2
185.13313	16.9
187.14787	6.2
189.16393	2.9
193.10068	3.3
195.11745	6.6
197.13260	9.1
199.14827	9.1
201.16386	3.3
209.13268	3.6
211.14867	3.9
213.12822	2.4
213.16286	3.3
223.14844	5.2
225.16402	4.1
227.12709	3.1
229.14281	6.9
229.19554	3.7
231.21059	3.3
237.16353	3.3
239.17842	3.0
241.19580	14.7
255.15788	12.6
257.18967	5.6
259.20590	31.4
261.22186	2.5
267.15869	2.7
269.17380	6.9
273.18488	3.1
275.20148	18.4
277.21701	4.0
291.19547	5.5
297.21985	3.0
311.23798	2.9
315.23163	4.3
317.24585	3.0
323.23669	2.9
333.24295	33.8
349.23813	9.9
365.28625	3.3
421.31204	2.9
435.32037	3.5
453.33661	3.2
477.41632	2.8
497.37231	2.8
513.35645	18.4
515.37830	4.1
527.37195	15.6
533.39813	4.6
567.40295	4.7
576.83917	2.9
607.43591	20.5
625.44672	21.3
637.75995	2.8
678.29382	5.1
685.97821	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	678.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.8
54.88991	2.9
54.94816	2.9
55.01867	6.4
55.05513	53.4
57.03438	7.6
57.07059	5.0
59.04997	4.6
65.03931	4.8
65.28227	2.9
66.82943	3.0
67.05176	5.5
67.05508	76.6
69.03430	5.3
69.07076	29.5
71.04990	7.1
71.52925	4.1
75.04092	2.9
79.05495	80.5
81.07056	72.8
83.04986	7.2
83.08620	31.3
83.36515	2.9
85.06556	4.6
90.59238	2.9
91.05486	69.9
93.07050	64.3
95.04964	6.0
95.08618	42.9
97.06547	4.4
97.10180	48.3
101.78170	3.0
105.07030	71.5
107.04951	6.2
107.08595	60.9
109.06528	7.2
109.10159	28.9
111.08112	6.3
112.82437	3.4
117.07032	28.2
119.08593	51.8
121.10161	27.1
123.08117	4.5
123.11722	17.3
125.09624	33.6
128.06247	4.3
129.06987	16.5
131.08583	28.0
133.10135	39.8
135.08058	6.8
135.11693	13.8
137.05919	3.6
141.07040	6.8
142.07751	4.2
143.08563	20.6
145.10147	28.4
147.11694	27.4
149.09663	6.5
149.13260	6.6
151.11226	4.2
155.08551	14.0
157.10130	19.9
159.08057	3.5
159.11711	20.3
161.13260	15.3
163.97104	3.8
167.08589	4.2
169.10153	16.6
171.10332	6.0
171.11693	22.2
173.13251	14.7
175.11301	3.1
175.14812	6.0
181.10141	3.9
183.11664	13.9
185.13289	10.5
187.13342	6.7
187.14789	7.0
189.11147	17.2
189.16449	3.2
195.11636	7.6
197.13251	14.7
199.14853	11.1
201.16446	6.3
208.92203	3.0
209.13240	8.6
211.14870	10.4
213.16443	6.4
223.14906	6.7
225.16422	10.2
227.12773	45.2
235.14896	3.8
239.18059	6.8
241.19528	14.4
243.15953	8.8
251.17870	3.6
257.18857	8.2
259.20630	21.3
275.20172	14.9
291.19632	5.5
315.23184	4.7
327.23572	4.2
333.24234	17.1
349.23932	9.2
365.24307	3.9
365.28452	17.2
381.31552	3.9
383.29428	4.3
439.31735	9.7
485.32684	6.3
503.33542	11.6
513.35791	13.5
515.38806	3.9
533.39758	11.6
551.40930	5.0
577.57135	4.0
607.43634	46.6
625.44757	100.0
678.25793	16.7
678.37762	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	678.494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.9
55.01867	8.4
55.05516	50.2
57.03438	13.1
57.07076	7.8
65.03927	4.9
65.71356	3.1
67.05510	99.0
69.03419	7.0
69.06726	3.7
69.07073	40.6
71.05005	4.7
79.05499	80.1
81.03422	4.8
81.07061	100.0
83.04978	9.8
83.08627	25.1
85.06535	5.3
91.05489	96.6
93.06483	5.4
93.07053	98.3
95.04971	10.3
95.08001	3.6
95.08614	65.3
97.06546	12.0
97.10165	7.0
99.08076	3.5
101.24173	2.8
105.07043	88.2
107.04924	7.3
107.08605	51.2
109.06531	8.8
109.10172	24.8
109.98153	2.5
111.08069	9.3
113.65630	3.6
115.05497	5.1
117.07017	40.0
119.08599	71.8
121.06512	3.1
121.10151	30.6
123.08105	4.6
123.11728	5.1
129.07002	17.4
131.08578	45.3
133.10136	54.0
135.08023	8.4
135.11700	29.0
137.09608	3.7
141.06987	10.3
142.07851	3.5
143.08568	21.1
145.10133	43.7
147.08041	5.2
147.11702	36.9
149.09633	9.0
149.13243	15.3
151.11136	3.8
153.07007	3.5
155.08554	16.8
157.10115	18.3
159.08014	5.3
159.11693	30.7
161.09666	6.5
161.13258	18.1
163.11197	5.4
167.08566	6.7
169.10107	16.2
171.11700	20.4
173.13277	20.3
177.12672	3.2
179.14267	3.5
183.11765	8.5
185.13205	15.0
187.14745	5.0
195.11687	9.1
197.13261	11.4
199.14813	9.2
209.13312	4.3
211.14813	3.6
213.16405	3.9
231.21071	5.6
236.07143	3.5
239.18111	5.5
241.19542	14.1
255.15840	15.3
259.20575	32.6
263.20078	5.2
269.17389	14.6
275.20087	18.7
277.21713	3.9
309.22211	3.4
315.23337	6.9
333.24286	35.7
349.23862	7.2
367.25098	5.3
421.30844	3.4
435.32770	5.9
453.33463	4.2
471.34802	4.4
497.36057	6.3
513.35828	23.0
515.38263	7.3
525.36188	4.1
527.37341	38.3
531.36652	7.9
533.40515	4.1
545.37616	3.8
567.40686	4.6
607.43402	23.1
625.44934	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	678.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.6
54.38288	2.3
55.01857	7.3
55.05264	3.5
55.05510	42.5
57.03439	16.4
57.07068	5.3
65.03941	4.8
67.05505	92.1
67.92183	2.2
69.03416	4.9
69.07070	34.3
71.04971	6.4
71.08617	2.0
72.03288	2.2
75.49216	2.4
77.03915	2.7
79.05495	82.3
81.03419	3.1
81.07061	100.0
83.04998	12.9
83.08622	16.0
85.06574	5.3
91.04909	3.6
91.05485	88.2
93.07045	92.0
95.04962	11.4
95.08611	58.8
97.06525	15.7
97.10172	7.6
98.21645	3.5
99.08109	4.4
105.04495	3.7
105.07035	89.0
106.07355	2.8
107.04967	6.4
107.08591	45.8
109.06514	7.7
109.10167	23.2
111.08089	4.9
115.05434	3.5
116.29326	2.5
117.07021	28.2
119.08588	61.8
121.06526	4.1
121.10140	32.3
123.08019	3.7
123.11670	5.8
125.09629	5.4
128.06230	4.3
129.07001	16.3
130.07759	2.5
131.08557	43.7
133.10133	48.7
135.08058	6.7
135.11693	29.8
137.09642	4.6
141.06995	3.6
142.07765	5.7
143.08551	18.3
144.09270	3.8
145.10118	36.0
147.11710	32.8
147.16496	2.3
149.09613	9.4
149.13258	14.1
151.11182	2.7
155.08575	10.6
157.10104	16.0
159.11694	30.4
161.09642	2.5
161.13231	17.8
163.11244	4.1
163.14871	3.4
167.08595	3.3
169.10101	10.1
171.11688	18.4
173.09685	2.5
173.13217	14.1
175.11145	3.2
175.14807	9.3
177.12762	3.8
181.10063	4.3
183.11732	7.6
185.13286	10.6
187.14909	3.9
195.11713	5.0
195.13683	3.5
197.13306	7.0
199.14854	9.5
207.11687	3.7
209.13354	2.5
211.14864	2.7
213.16426	2.7
221.13269	3.3
227.17880	3.4
231.21060	3.8
237.16347	4.1
239.17946	3.6
241.19606	15.8
253.14339	4.7
255.15820	14.4
257.18976	9.2
259.20581	35.4
267.15976	5.2
269.17426	14.0
273.18481	3.0
275.20111	20.0
277.21750	3.7
298.72714	2.4
313.21762	2.8
315.23212	7.5
333.24237	41.4
335.25970	2.5
337.25369	2.3
349.23712	11.2
367.25116	5.6
421.30594	2.5
435.32666	5.6
439.32120	2.9
453.34024	5.4
471.34778	3.5
481.90381	2.7
489.35648	2.6
513.35779	19.1
515.37531	4.4
527.37415	38.9
533.39526	4.5
545.38159	4.7
546.90125	2.4
607.43231	12.3
625.44623	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	678.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74660	1.6
53.03941	7.4
55.01875	8.6
55.05270	2.7
55.05513	33.7
57.03445	13.0
57.07074	6.4
63.18753	1.7
65.03934	4.6
67.05508	100.0
69.03425	4.2
69.07069	29.6
69.18761	19.5
71.04990	7.1
71.08626	11.3
74.15623	1.7
74.59926	2.0
79.04787	1.9
79.05499	83.0
81.03427	8.4
81.07062	99.4
83.04992	12.4
83.08623	17.8
85.06548	9.7
87.64834	1.7
91.04919	2.2
91.05487	87.5
93.07050	91.1
95.04974	17.4
95.08609	56.2
97.06545	21.5
97.10162	7.8
99.08108	9.5
101.38976	1.7
105.04517	3.0
105.07032	72.0
107.04964	11.0
107.08601	56.5
109.05901	1.8
109.06501	11.0
109.09471	3.3
109.10170	49.9
109.10918	2.7
111.08080	7.6
113.06026	1.9
113.09644	2.5
115.05519	2.3
115.07576	6.8
116.32222	1.8
117.07021	17.0
119.08584	44.4
121.06484	5.8
121.10155	27.7
123.08073	8.1
123.11698	11.6
125.09592	5.2
126.84207	1.8
127.07506	2.4
128.06165	2.3
129.07010	10.4
131.08575	29.1
133.06456	2.2
133.10132	62.7
135.08066	6.8
135.11699	24.1
137.09612	7.2
137.13217	1.8
141.07002	2.5
142.07803	2.3
143.08614	10.4
145.10130	22.1
147.08003	3.6
147.11687	18.4
149.09569	6.9
149.13239	11.5
151.11203	23.2
155.08551	4.5
157.10112	9.8
159.08054	3.7
159.11732	12.8
161.09604	5.6
161.13246	15.5
163.11169	7.0
163.14812	4.9
165.09061	3.1
165.12747	2.0
169.10132	2.5
169.12256	3.9
171.11758	10.6
173.13264	10.3
175.11220	4.2
175.14825	5.8
177.12755	5.5
177.16353	2.8
179.10837	2.6
179.14302	14.2
183.11707	5.2
184.07346	5.6
185.13257	6.7
187.11122	2.5
187.14822	5.1
193.12248	2.3
195.11906	1.8
195.13805	3.2
197.13210	2.8
199.14700	3.2
201.16319	2.8
209.13277	2.3
226.26375	1.8
229.19612	2.5
231.21173	2.2
233.15300	2.3
239.18018	3.3
241.19508	8.6
243.21043	6.5
245.19121	3.0
247.20631	2.8
253.11673	2.4
253.14368	47.0
257.19049	5.0
259.20572	21.2
261.22180	13.9
263.20163	2.1
271.15195	2.6
273.18539	11.3
275.20120	17.5
277.21713	10.9
291.19611	11.1
293.21146	24.2
315.23163	5.8
317.24725	4.1
333.24237	27.7
335.25824	36.2
347.22113	4.2
349.23792	4.0
351.25397	8.6
365.23224	13.3
367.24829	26.5
431.84979	1.7
451.31757	1.9
513.35620	8.0
529.38580	6.5
531.36584	7.3
533.39520	4.2
538.15607	1.9
543.36896	3.6
551.41553	4.1
597.45374	1.9
607.43402	6.4
608.98480	1.9
611.46387	9.6
625.44684	36.5
626.45056	2.7
643.45599	19.7
656.88763	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	678.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.0
53.62428	1.9
55.01860	6.7
55.05264	3.4
55.05511	42.5
57.03013	1.9
57.03443	14.4
57.07064	6.8
65.03931	6.3
67.05506	96.4
69.03425	4.2
69.07072	39.6
70.68378	2.8
70.68732	4.1
71.08630	4.1
72.05417	1.8
79.05496	84.8
81.03413	6.4
81.07057	96.2
81.33182	2.0
83.04974	8.9
83.08608	17.8
85.06542	4.7
91.05482	100.0
93.07046	95.7
95.04961	9.2
95.08610	61.5
97.06538	10.0
97.10165	11.0
99.08086	5.4
103.05432	2.8
105.04568	3.4
105.07030	78.6
107.04955	2.7
107.08598	44.1
109.06505	7.8
109.10154	29.0
111.08067	6.0
115.05431	4.1
116.06223	2.9
117.07027	33.2
118.34663	2.1
119.08581	64.6
121.06493	5.8
121.10143	35.4
123.08081	6.0
123.11694	5.1
125.09650	6.8
128.06258	6.8
129.07010	22.9
130.07834	4.7
131.08572	47.9
133.10138	40.8
135.08035	4.3
135.11697	21.0
137.09610	4.5
139.11201	2.5
141.06990	5.9
142.07738	4.4
143.08571	22.2
143.11029	2.2
145.10132	40.9
147.08041	2.2
147.11687	33.0
149.09616	6.6
149.13251	14.6
151.11150	4.6
155.08553	10.2
155.10619	3.3
156.09344	2.1
157.10143	22.4
159.11676	29.9
160.35609	2.0
160.77914	2.2
161.13263	15.5
163.11250	3.8
163.14912	2.3
167.08583	5.2
168.09377	2.6
169.10135	16.1
171.11700	23.2
173.11989	2.6
173.13297	15.2
175.14838	6.4
179.14314	2.9
181.10121	7.0
183.11728	14.5
185.13246	14.7
187.14832	6.7
191.14392	2.2
195.11708	6.8
195.13829	2.1
197.13268	9.3
199.13219	2.2
199.14822	8.4
201.16365	4.0
207.11826	2.8
209.13283	6.7
211.14871	7.3
213.16466	3.9
221.13249	3.5
223.12984	2.5
223.14946	3.6
227.12767	4.8
227.17989	3.0
229.14313	4.1
239.17926	3.5
241.19521	8.5
257.19055	8.6
259.20566	25.3
261.22205	5.9
269.17319	5.3
273.18665	2.3
275.20090	8.4
277.21652	5.5
291.19629	7.0
293.21036	15.8
299.23718	2.6
331.22668	2.5
333.24222	21.0
335.25809	6.8
337.25131	3.4
349.23871	4.8
351.25629	2.9
365.23029	4.1
367.25067	3.2
435.32410	5.6
447.32318	2.8
453.33551	3.6
472.98572	2.2
513.35901	3.0
517.40106	4.1
527.37183	10.4
535.41144	2.7
545.38220	4.7
607.43610	3.0
609.45129	24.5
625.44611	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	678.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94128	1.6
53.03930	6.4
55.01859	6.9
55.05273	2.9
55.05514	37.1
57.03437	13.1
57.07061	6.6
65.03927	6.1
67.05508	94.0
69.03411	3.4
69.07079	32.4
71.04987	3.8
71.08636	44.6
77.03924	2.4
79.05499	85.5
81.03408	8.3
81.07064	100.0
83.04988	11.6
83.08622	18.8
85.06544	4.3
91.05491	65.6
93.07050	93.3
95.04974	16.2
95.08614	63.5
97.06533	16.6
97.10172	9.6
98.21621	3.3
99.08098	29.9
103.05463	2.5
105.07039	52.7
107.04955	9.0
107.08594	59.8
109.06523	8.9
109.10156	21.6
111.08074	5.7
113.09663	2.7
116.07117	4.4
117.07027	23.3
119.07806	2.7
119.08585	39.4
121.06510	9.1
121.10139	37.2
123.08051	7.4
123.11716	5.1
125.09629	6.8
128.06241	2.1
129.07024	9.7
129.07822	1.7
129.59021	1.8
130.07799	2.1
131.08572	26.6
133.06573	2.1
133.10127	31.0
135.08037	5.9
135.11702	35.0
137.09612	6.4
139.11220	2.3
141.09074	4.6
143.08611	9.1
145.10149	18.3
147.08038	3.6
147.11700	20.1
149.09610	6.5
149.13281	17.3
151.11185	16.0
155.08487	2.2
157.10081	8.9
159.11716	13.8
161.13258	16.9
163.11183	7.7
163.14775	2.8
167.10652	3.6
169.10100	2.8
171.11688	7.9
173.13220	9.7
175.11134	3.0
175.14783	5.1
177.12749	5.4
179.14325	77.9
181.12204	2.6
183.11665	3.4
185.13284	6.3
187.14856	4.9
189.12726	1.9
195.13817	3.5
199.14729	5.0
200.88768	1.8
201.16293	2.3
201.89940	1.7
213.16385	2.7
220.06425	1.8
221.13358	1.8
231.21129	3.1
235.16925	4.4
241.19604	5.3
252.65810	1.8
257.18970	2.9
259.20587	14.1
267.15820	2.1
269.17252	2.5
275.20074	17.9
277.21655	55.0
278.75531	1.9
283.15393	3.5
291.19461	2.1
293.21127	86.8
295.22778	4.3
303.64944	2.0
315.23331	3.2
333.24277	14.6
335.25665	5.3
337.27393	9.2
337.30881	2.0
349.23724	7.3
351.25360	36.8
367.24847	38.3
381.22668	2.5
543.36792	5.3
545.38446	13.5
545.45343	2.6
597.34772	2.1
609.45160	12.9
625.44043	5.4
643.45734	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	677.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.0
55.05515	13.4
56.62130	1.5
57.03437	6.9
57.07064	3.9
58.69018	1.3
61.02930	22.8
62.93760	1.2
63.45019	1.2
65.93085	1.2
67.05508	64.3
69.03420	4.1
69.07067	14.3
71.04991	3.6
71.08609	2.5
73.02911	9.4
79.05500	41.9
81.03415	3.5
81.07060	75.7
83.04958	1.8
83.08634	8.2
85.02906	25.4
85.06538	3.1
91.03963	26.1
91.05482	23.4
93.07049	57.7
95.04958	3.8
95.08612	55.1
97.02898	13.9
97.06534	3.5
97.10164	3.5
98.21604	2.5
99.08086	3.4
105.07045	18.9
107.08604	39.3
109.06512	2.5
109.10160	31.0
111.08078	3.7
117.07016	9.4
119.08587	19.4
121.09315	2.7
121.10147	33.9
123.11717	16.7
127.03909	10.9
129.07013	2.5
131.08571	18.5
133.10120	16.1
135.11702	24.9
137.09703	1.8
137.13258	5.9
139.11287	1.5
145.04942	11.3
145.10147	14.2
147.11690	13.1
149.13260	22.0
151.11174	1.7
153.12704	2.1
157.10199	1.5
159.11688	16.7
161.13258	10.4
163.06009	17.8
163.14821	13.8
165.12773	2.0
170.55171	1.2
173.13268	14.5
175.14844	3.4
177.16371	5.0
179.14302	2.9
187.14830	9.3
191.14302	2.7
196.11671	1.4
201.16373	4.0
207.42052	1.4
215.18001	2.0
233.22615	3.9
243.21114	34.4
261.22147	100.0
279.23212	2.1
299.51382	1.4
335.25806	17.7
353.26852	38.1
366.21201	1.6
387.25101	1.4
445.18744	5.2
448.27695	2.2
469.18884	1.5
471.16190	1.7
479.30133	2.0
497.30762	4.7
541.20782	2.7
617.22485	22.2
618.22180	1.7
645.21991	16.0
646.22241	1.9
677.35291	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	677.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.0
55.01878	1.9
55.03590	1.0
55.05517	12.3
57.03437	7.3
57.07069	3.4
61.02932	15.9
65.03948	1.6
67.05510	70.7
69.03433	4.2
69.07067	15.8
69.31116	1.6
69.31512	8.0
71.04987	2.6
73.02923	7.7
75.04486	1.7
79.05495	38.0
81.03439	1.4
81.07063	79.6
83.04968	2.5
83.08639	6.8
85.02910	18.7
85.06548	3.6
91.03960	19.7
91.05484	20.9
93.07045	52.7
95.04955	2.4
95.08611	62.4
97.02892	8.7
97.06550	3.6
97.10178	4.7
98.09630	1.3
99.04459	2.5
99.08086	2.8
101.02376	1.1
105.07039	19.1
107.08601	35.5
109.06528	2.2
109.10159	34.3
110.25423	1.1
111.08091	3.1
113.09649	2.0
115.03923	1.5
117.07034	9.3
119.08589	13.8
121.10153	35.8
123.08089	2.7
123.11713	18.8
125.09634	1.3
127.03941	5.8
129.07005	1.8
131.08562	19.5
133.10139	15.3
135.11703	30.2
137.09601	1.6
137.13275	6.4
139.11185	1.4
145.04945	7.8
145.10129	14.8
147.11688	10.8
149.13268	19.6
151.11238	2.5
151.14871	2.5
153.12669	1.4
159.11719	12.0
161.13284	11.8
163.06006	12.4
163.11166	1.2
163.14810	14.8
165.12791	2.2
173.13257	14.5
175.14842	3.7
177.12811	2.9
177.16451	5.3
179.14259	2.7
187.14828	9.9
189.16353	2.4
191.14328	2.4
201.16411	3.4
205.15889	2.5
215.17860	1.1
219.17513	1.2
233.22693	3.6
243.21097	32.6
261.22156	100.0
263.23593	1.7
279.23239	5.5
317.24905	1.6
335.25839	28.2
353.26874	38.7
497.31012	7.5
677.35278	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	676.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.8
55.01864	13.7
55.05302	3.8
55.05521	38.6
55.74788	3.7
57.03429	11.9
65.03935	5.7
67.05511	86.0
69.03424	8.6
69.06783	4.1
69.07076	49.1
71.04967	6.1
71.08624	13.9
71.54306	5.0
79.05061	6.1
79.05499	77.6
81.03432	11.9
81.07062	90.9
83.04980	10.3
83.08623	18.3
85.06561	5.0
90.27900	4.1
90.42213	4.1
91.05486	86.9
93.07056	78.0
95.01320	11.9
95.04981	18.1
95.08611	54.1
97.06535	35.7
97.10188	8.5
99.08091	10.2
103.21842	3.7
105.06388	7.4
105.07044	100.0
107.04976	22.8
107.08612	37.9
109.06509	6.1
109.10146	19.1
111.08109	6.1
117.07014	22.5
119.08587	50.2
121.06509	10.2
121.10138	27.0
123.04448	3.7
123.08082	10.0
129.06995	8.1
131.08559	33.4
133.10150	57.6
135.08058	4.4
135.11711	30.5
137.09627	4.9
143.08559	12.5
145.10110	26.9
147.08005	5.0
147.11710	23.9
149.09618	11.7
149.13301	14.5
151.11194	9.9
155.08566	6.7
157.10103	6.5
159.11726	21.5
161.13269	15.8
163.11171	12.8
169.10114	4.3
171.11653	6.8
173.13358	10.8
177.12793	8.9
179.14325	58.9
219.17479	11.7
223.13300	4.3
251.16396	4.7
259.20563	6.6
273.18588	9.1
275.20096	95.7
277.21603	23.6
291.19550	33.2
293.21149	32.8
333.24149	19.7
340.03909	4.0
349.23792	37.0
351.25250	18.9
365.23157	17.2
367.24649	9.3
504.37567	8.5
515.37854	5.1
543.36853	20.3
607.43469	21.6
623.42926	10.2
641.44061	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	677.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.4
55.61604	0.4
67.05503	0.5
69.79990	1.4
69.80404	0.8
79.05539	0.5
81.07062	0.5
109.10206	0.4
112.08496	0.4
152.48407	0.3
166.31877	0.4
181.02202	0.4
184.07404	0.8
267.38577	0.4
367.15161	0.6
374.13889	0.4
375.14865	0.9
376.15546	1.1
385.13071	0.8
386.15158	0.5
387.15320	0.6
388.15753	1.1
389.16309	1.7
392.15793	0.4
393.16547	0.5
399.14685	0.5
401.16718	0.5
402.17154	1.0
403.13425	0.7
403.18375	2.0
404.19037	1.9
405.19696	0.5
406.17523	0.4
408.19553	0.6
413.16174	0.8
414.17490	0.5
415.18179	0.7
416.15085	1.3
417.15451	4.4
421.18887	1.3
427.13904	0.5
428.14944	0.7
429.15588	5.2
429.20276	0.4
430.16644	1.4
431.17606	5.0
432.18478	3.1
441.16211	0.6
442.16785	2.5
443.17453	3.2
444.18182	6.4
445.19815	2.2
446.15695	0.5
455.12985	2.9
456.14340	1.3
458.11908	0.6
459.16251	4.1
460.13034	0.6
460.18286	1.0
461.18365	0.9
462.29456	0.4
470.15933	20.3
471.16827	3.9
472.14075	1.4
473.18167	1.4
474.15445	0.6
475.20148	1.4
480.30414	0.6
481.11765	0.5
482.12714	1.0
483.17679	0.5
486.15518	0.8
487.16040	5.4
488.16687	1.8
489.17746	0.9
490.21878	1.8
491.22601	0.8
497.14502	9.3
498.15085	2.7
499.15839	1.9
500.13531	1.1
501.18506	2.7
502.18536	26.3
503.19012	2.1
511.16797	1.2
514.14758	0.5
515.15332	5.9
516.16571	1.5
518.21735	4.1
529.17847	1.4
530.17590	2.4
532.23236	0.7
543.19086	0.7
546.21686	1.7
547.22272	0.8
557.20178	0.9
574.20520	2.6
575.21277	1.6
576.22333	2.6
578.23309	0.6
585.20062	0.9
589.23608	1.7
602.19946	0.8
603.20752	0.5
606.23016	0.8
616.21637	6.7
617.21960	1.5
627.20532	0.6
631.24414	2.0
634.22742	13.3
635.23541	19.4
636.23907	0.9
645.21582	0.6
659.23438	0.6
677.24615	100.0
678.24896	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	676.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01616	1.7
51.02376	1.7
53.03942	5.3
53.10680	1.4
53.99820	1.7
55.01876	6.7
55.05517	41.4
57.03442	8.9
57.07071	2.9
59.05009	2.2
62.05467	1.4
65.03951	3.2
66.27962	1.2
67.05509	57.3
68.63069	1.2
69.03440	10.3
69.07074	37.4
70.07407	1.8
71.04975	3.7
73.83944	1.4
79.05500	56.9
81.03433	9.2
81.07063	51.9
83.04979	7.3
83.08624	16.0
85.06528	1.7
86.09765	2.3
89.06010	1.4
91.05488	61.2
93.07052	54.1
95.04974	12.0
95.08058	2.4
95.08617	36.3
97.02916	9.6
97.06564	7.5
97.10180	17.3
98.21510	3.5
99.08129	2.2
103.05505	1.6
105.04527	2.7
105.07042	57.0
107.04981	8.6
107.08598	34.6
109.06529	4.3
109.10172	14.5
111.08089	3.4
115.05460	2.8
117.07014	20.1
118.48936	1.5
119.04977	1.6
119.08591	49.2
121.06503	5.4
121.10158	19.1
123.08057	2.4
123.11731	2.9
124.99988	1.7
125.09627	17.2
128.06239	3.7
129.07025	15.1
130.07819	1.3
131.08582	26.5
133.06465	3.8
133.10143	34.8
134.07355	1.5
135.08069	4.5
135.11694	10.8
136.06204	22.7
137.09631	3.9
139.11163	1.3
141.07008	2.0
142.07747	1.6
143.08582	11.0
145.10143	20.2
147.08060	5.0
147.11690	24.7
149.09636	6.2
149.13292	8.0
153.09119	1.9
155.08577	4.4
156.59186	1.3
157.10129	11.3
159.08049	3.2
159.11697	15.5
161.09639	3.4
161.13272	17.8
163.11273	1.6
163.14868	2.2
169.10159	5.8
171.10365	2.4
171.11691	11.2
173.11882	2.4
173.13269	10.1
175.11185	2.9
175.14813	6.1
177.12691	1.9
181.10129	2.7
183.11697	5.0
184.07271	6.5
185.13290	7.8
187.11328	1.5
187.14812	3.6
189.11229	9.5
193.12198	2.3
195.11604	1.8
195.13686	1.6
197.13319	3.7
199.14841	5.5
201.16449	1.8
201.46481	1.4
209.13344	2.0
211.14919	2.6
213.16425	3.6
215.17961	1.4
215.44441	1.4
223.13260	17.6
223.15155	1.7
227.12733	7.4
227.18016	2.4
229.66728	1.4
231.21072	4.6
239.17961	4.5
241.19562	16.5
249.14691	1.6
253.19569	2.6
257.19025	2.9
259.20612	36.9
262.69220	1.4
267.15912	2.2
273.18481	10.6
275.20035	10.7
277.21643	2.4
291.19556	100.0
292.19830	2.8
299.23734	2.4
309.41702	1.5
315.23251	6.7
333.24274	42.6
347.22406	1.4
349.23807	4.1
365.19040	2.5
365.23254	31.6
379.29974	3.9
504.37460	4.4
525.35583	5.4
529.34869	1.5
531.38342	1.7
543.36627	8.8
605.41766	5.3
623.43097	34.7
641.44019	2.9
658.44659	2.0
672.19012	1.5
676.45770	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	676.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.6
55.01868	16.1
55.05264	3.4
55.05513	44.2
57.03432	11.7
57.07073	2.0
58.40427	1.6
58.90878	2.0
65.03945	5.5
67.05510	79.8
69.03433	10.2
69.07070	53.4
69.15446	4.6
69.15857	16.9
71.04986	4.7
77.03911	2.7
79.05497	69.6
79.46542	1.7
81.03419	13.6
81.07061	88.6
82.03720	2.0
82.50884	2.4
83.04977	15.4
83.08623	23.5
85.06539	4.1
86.09737	2.5
91.05485	88.0
93.07049	77.1
95.01331	5.5
95.04961	17.0
95.08612	50.4
97.02906	5.0
97.06528	29.4
97.10171	19.1
103.05479	4.0
105.04510	2.3
105.07034	100.0
107.04964	19.8
107.08599	43.9
109.06532	7.4
109.10163	21.6
111.08075	6.0
113.09587	2.3
115.05448	3.6
115.62077	2.0
117.07012	26.9
119.08588	70.3
121.06523	6.1
121.10156	24.3
123.08086	7.5
123.11731	4.4
125.09626	15.7
129.06998	11.7
131.08572	37.8
133.10139	49.5
135.08092	6.8
135.11711	17.8
137.09637	4.5
141.07014	4.6
142.07785	3.9
143.08578	11.3
145.06512	3.1
145.10135	31.9
147.08061	9.3
147.11685	31.7
149.09648	10.5
149.13228	10.3
151.11128	4.1
155.08554	5.5
157.10159	11.3
159.11705	22.9
161.09612	4.3
161.13226	15.3
163.11174	8.4
165.09216	2.4
167.08630	2.2
169.10149	7.5
171.10301	3.2
171.11617	10.4
173.11836	2.5
173.13246	10.3
175.11206	4.3
175.14830	5.7
177.12779	6.2
179.14288	11.9
181.10156	3.3
183.11710	7.0
184.07312	4.7
185.13274	9.9
187.11150	2.1
187.14799	5.6
189.11179	6.5
195.11844	2.8
195.13786	2.7
197.13411	3.8
199.14922	5.0
211.14906	3.6
219.17528	3.0
223.13214	14.8
227.12747	6.3
229.19374	3.0
239.17949	4.1
241.19606	13.8
247.20941	2.5
248.12706	2.1
249.14922	3.4
253.29883	2.7
255.15977	6.5
257.19019	7.4
259.20544	29.1
259.23062	2.8
269.17471	13.6
273.18475	9.5
275.20081	76.5
277.21387	2.0
291.19553	77.8
293.21057	4.8
299.23975	2.5
315.23209	4.4
331.22778	4.2
333.24265	28.0
349.23730	41.1
352.53278	2.7
365.23318	17.6
367.24622	6.2
379.29825	3.5
435.27252	2.2
469.33334	3.3
504.37689	4.9
525.35779	7.7
529.35474	22.8
543.36774	52.8
605.42029	4.8
623.43091	50.2
641.43628	7.2
676.46619	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	676.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.5
55.01885	10.3
55.05273	2.1
55.05513	29.6
57.03432	7.3
57.07075	3.5
65.03937	2.6
67.05508	82.8
68.47915	2.1
69.03419	6.3
69.07075	25.9
69.27381	12.7
71.04980	6.1
71.08634	4.1
79.05499	67.2
81.03417	8.3
81.06586	3.9
81.07059	81.0
81.27373	1.8
83.04984	10.8
83.08638	11.8
85.06535	7.7
91.05486	100.0
93.07044	64.8
95.04972	18.6
95.08614	41.7
97.02878	2.8
97.06537	9.4
97.10170	5.8
99.08109	3.2
103.05487	4.8
105.04512	1.9
105.07034	90.4
107.04935	7.3
107.08602	57.4
109.06507	9.1
109.10158	46.5
111.08067	4.6
115.05457	3.3
117.07014	22.8
119.08588	48.6
121.06503	7.2
121.10159	24.2
123.08086	4.1
123.11732	9.0
125.09656	3.1
128.06213	2.4
129.06992	14.1
129.83795	1.8
131.08575	28.9
131.71829	2.0
133.06465	3.5
133.10141	79.2
135.08055	8.4
135.11684	18.3
136.06192	31.6
137.09610	2.8
142.07770	2.6
143.08543	12.8
145.06509	2.6
145.10104	25.2
147.08032	3.4
147.11702	25.4
149.09604	6.8
149.13254	6.1
151.11200	28.8
155.08551	3.5
157.10141	13.9
159.08012	2.9
159.11699	20.7
161.09593	7.6
161.13252	20.8
163.11180	5.7
169.10083	3.4
169.12238	4.6
171.11674	13.5
173.13277	9.2
175.11195	2.4
175.14812	5.3
179.14270	7.4
181.10120	2.2
183.11658	3.8
185.13310	9.5
187.14726	2.7
189.16185	1.9
193.12216	3.1
195.11711	2.6
197.13264	3.4
199.14833	4.6
213.16397	3.2
215.12781	4.4
227.17937	3.4
231.21103	4.2
241.19560	17.4
245.19009	3.3
253.14359	66.9
255.17482	1.9
257.18808	2.5
259.20581	42.0
263.20065	4.4
271.15146	2.3
273.18478	14.1
275.20053	3.5
277.21725	6.0
291.19510	25.4
315.23105	8.2
333.24203	38.6
347.22113	4.2
349.23898	1.9
351.25366	3.1
365.23230	27.4
437.30426	3.2
470.60452	2.1
501.36020	4.0
504.37491	7.8
511.34277	11.5
529.35254	14.0
531.38062	3.1
549.39221	3.8
605.41998	4.0
609.44940	2.7
623.42957	21.9
641.43677	11.6
676.46954	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	676.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	2.8
52.19885	1.9
53.03944	5.2
55.01867	13.3
55.05274	1.9
55.05519	29.3
55.05780	1.5
57.03436	10.9
57.07063	5.1
60.00499	1.7
65.03932	4.9
67.05508	91.6
69.03428	4.5
69.07069	31.5
69.32500	14.0
71.04986	6.9
71.08640	29.9
78.04739	2.0
79.05496	74.6
81.03419	12.8
81.07059	100.0
83.04984	17.2
83.08615	15.5
85.02918	1.8
85.06536	8.5
88.74467	1.8
91.05486	84.8
93.07050	95.2
95.04970	19.3
95.08613	52.0
97.06546	14.8
97.10167	7.0
99.04452	2.0
99.08104	26.2
103.05463	2.9
105.04550	1.8
105.07038	67.0
107.04948	21.7
107.08597	69.8
109.06512	10.7
109.10160	45.4
111.08090	6.3
113.09645	4.3
115.05452	2.9
117.07020	15.2
119.04921	1.8
119.08587	37.6
121.02895	2.2
121.06533	8.9
121.10157	35.3
123.08062	8.0
123.11738	7.4
125.06046	2.2
125.09638	4.4
127.07555	2.0
128.06245	3.8
129.06990	6.9
131.08575	22.1
133.06505	7.2
133.10133	60.9
134.43179	1.9
135.08075	10.2
135.11707	38.7
137.09625	4.8
141.09076	3.0
143.08563	6.8
145.06473	2.9
145.10120	13.9
147.08063	4.8
147.11711	17.6
149.09616	7.7
149.13229	11.7
151.11198	33.3
157.10118	4.0
159.08031	4.9
159.11719	9.5
161.09634	6.4
161.13261	14.8
163.11176	7.1
163.14819	2.3
169.12277	4.3
171.11705	5.2
173.09705	2.5
173.13246	3.9
175.11159	3.5
175.14824	3.5
177.12770	4.5
179.14319	96.0
185.13261	3.3
187.14775	2.2
189.11208	3.0
189.12764	3.5
205.15738	2.0
207.13831	1.8
213.16393	2.3
215.12740	2.7
216.85901	1.8
221.15302	2.4
233.15440	2.5
235.16989	5.3
241.19569	6.4
245.19078	3.2
251.12848	5.9
253.11653	3.9
253.14348	80.5
255.17468	4.3
259.20483	8.9
273.18506	27.8
275.20010	7.3
277.21643	71.9
289.17987	2.6
291.19583	25.3
295.22607	2.4
333.24292	9.2
335.25784	9.6
347.22150	16.0
349.23837	5.9
351.25305	46.8
365.23245	36.1
367.25021	3.7
519.36902	4.1
529.35352	3.0
545.34796	2.1
547.36780	6.3
609.45032	12.8
614.06628	2.1
623.42950	12.3
641.44202	77.4
642.44965	3.4
677.32928	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	676.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
55.01863	8.9
55.05519	30.3
57.03444	10.4
57.07073	6.9
59.05000	2.1
62.18354	1.8
65.03928	4.0
67.05511	82.3
68.68265	2.1
69.03422	3.3
69.07074	30.0
71.04025	2.5
71.04349	3.7
71.04990	6.2
79.05497	68.8
79.51230	2.0
81.03427	13.0
81.07063	82.6
82.07388	3.2
83.05005	13.3
83.08623	18.3
85.06541	6.3
91.05488	100.0
93.07050	66.2
95.04980	13.0
95.08617	40.2
97.06541	11.4
97.10152	6.7
99.04500	2.0
99.08102	3.2
105.04546	3.0
105.07040	93.6
106.07369	3.1
107.04957	9.4
107.07889	2.5
107.08611	51.2
109.06535	9.9
109.10155	52.5
110.05464	2.0
111.04416	2.5
111.08078	4.3
115.05472	3.3
117.07034	23.7
119.07806	3.5
119.08589	56.2
121.06510	6.6
121.10133	21.0
123.08060	6.4
123.11697	10.2
125.09645	4.3
127.07577	2.4
128.06238	4.4
129.07004	15.6
131.08568	29.0
132.08882	2.3
133.06499	4.0
133.10139	78.2
135.08052	8.0
135.11696	17.4
136.06168	6.2
137.09602	5.5
141.06953	2.3
142.07733	2.0
143.08528	9.1
145.06554	2.1
145.10132	26.0
147.08044	6.5
147.11702	31.8
149.09612	6.0
149.13258	8.6
151.11206	25.1
155.08559	4.7
157.10117	11.7
159.08080	3.0
159.11688	14.1
161.09621	6.9
161.13251	20.0
163.11243	2.2
169.10085	4.6
171.11691	13.6
171.78952	1.8
173.11887	2.1
173.13200	10.6
175.11172	4.6
175.14833	8.5
177.12729	2.5
181.10191	1.9
181.12238	2.8
183.11752	3.6
185.09595	2.4
185.11815	2.0
185.13275	8.9
187.11143	2.4
187.14832	2.5
195.11690	2.3
195.13771	1.9
197.13237	4.1
199.14809	5.8
207.11908	1.9
213.16222	4.6
215.12823	3.9
229.14383	7.0
231.21086	3.6
239.17804	2.6
241.19556	16.6
245.19063	4.3
253.14340	49.1
255.17380	2.1
257.18933	6.8
259.20605	38.4
260.21100	2.5
263.20190	3.6
269.17383	2.0
271.15570	2.3
273.18512	15.4
275.20068	8.0
276.20428	2.5
277.21198	2.8
289.17981	2.9
291.19534	16.6
315.23047	5.3
325.27478	5.9
325.80191	2.0
331.22571	2.6
333.24243	30.5
347.22214	5.4
349.23959	2.3
358.29843	2.2
365.23245	22.2
366.23669	2.4
409.31067	2.1
419.29437	3.2
427.32193	2.6
437.30411	2.8
479.37207	4.9
491.90323	2.4
504.37637	9.7
511.34720	9.8
529.35278	14.9
531.38293	4.8
543.24152	2.4
543.36572	5.4
549.39197	2.2
595.42932	2.8
605.42059	5.5
623.43036	27.6
633.23285	2.2
641.43555	8.7
676.45386	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	676.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89756	0.3
53.03945	0.6
55.01862	0.4
55.05512	2.3
57.03448	2.2
57.07059	0.3
57.77454	0.3
59.05005	0.3
59.12126	0.3
61.02919	0.8
65.72478	0.3
67.05508	8.7
67.21450	0.3
69.03423	0.7
69.07072	2.9
71.04998	0.9
79.05496	5.9
81.03419	7.0
81.07060	10.3
83.04978	2.0
83.08622	3.8
85.02906	3.2
85.06541	0.7
91.05482	5.3
93.06472	0.6
93.07048	7.5
95.04983	3.2
95.08597	3.0
97.02898	1.0
97.06544	1.2
97.10172	0.7
99.08101	0.5
105.07035	3.0
107.04972	0.6
107.08607	4.5
109.06527	0.7
109.10193	0.8
111.04435	0.4
111.08093	1.7
113.06055	0.4
115.23294	0.3
117.07027	1.1
119.08589	2.6
121.10168	2.8
123.08067	0.5
123.11721	0.4
125.09661	0.3
129.07014	1.5
131.08575	2.2
133.06465	0.4
133.10112	2.2
135.11723	1.1
145.10234	0.4
147.11703	2.0
147.12666	0.3
149.09619	1.0
149.13266	3.6
157.10124	1.2
159.11751	1.6
163.01308	0.3
165.12733	0.4
171.11697	0.4
175.11198	1.6
177.12770	0.8
178.09930	0.3
179.04903	0.3
193.12256	4.1
195.13789	1.0
211.13303	5.3
267.15897	4.0
269.17490	15.4
270.17847	0.5
279.06836	0.7
285.16977	5.2
297.07953	1.6
331.91168	0.4
340.09576	0.3
352.09668	1.2
413.15707	0.6
414.16733	0.6
428.18430	0.4
429.19049	0.4
430.15848	0.6
431.16687	0.8
435.27783	0.5
440.14206	0.5
442.14920	0.7
442.20178	0.9
443.17126	0.6
443.28146	0.5
444.17731	1.5
445.18497	1.5
446.19067	2.3
454.15704	0.7
455.16962	0.7
456.17819	1.1
457.14328	0.5
457.19244	0.4
458.15225	1.7
458.20261	0.7
461.28973	10.3
467.13315	0.6
468.17709	1.5
469.14743	1.3
469.19470	0.6
470.14557	2.7
471.15845	2.2
472.16644	4.3
473.17508	1.4
474.17932	0.6
479.30035	20.7
480.30307	0.7
481.14072	1.5
482.15097	3.2
483.16080	3.7
484.17026	4.2
485.18213	2.0
486.18930	3.4
487.18863	0.8
495.16632	2.3
496.16895	10.8
497.17709	8.6
498.18524	11.3
499.19000	2.5
500.20331	1.0
501.16779	0.8
509.17429	0.5
510.18289	0.4
511.19193	0.9
512.19940	1.1
513.18323	0.6
514.18042	1.4
515.18494	0.6
516.19403	1.0
524.16479	0.4
526.18738	0.4
528.19427	0.5
529.19714	0.6
530.21173	0.7
537.19305	0.8
539.20038	0.4
542.17181	0.4
543.17828	0.5
555.18500	1.8
556.18958	11.1
557.18799	1.7
558.20569	0.8
559.21198	0.4
573.22443	0.5
574.24005	3.3
575.23254	0.5
584.22015	1.0
586.23767	0.7
602.23529	0.7
617.21661	0.4
618.22491	3.1
619.22272	0.4
630.22504	0.4
644.24353	4.4
645.24438	1.3
646.22314	2.6
647.22040	0.5
658.26385	0.7
661.24524	5.9
662.24518	1.1
676.26892	100.0
677.26764	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	676.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18839	0.8
53.03944	2.0
55.01871	1.6
55.05499	3.1
55.83313	0.7
57.03444	4.2
58.54721	0.6
61.02934	6.9
67.05514	6.1
69.03434	2.9
69.07064	1.4
69.45553	4.8
71.04958	0.8
73.02926	2.3
79.05495	6.2
81.03423	79.6
81.07053	6.6
83.04966	3.8
83.08147	1.1
83.08626	19.7
85.02904	8.1
88.23964	0.7
91.03956	7.0
91.05488	11.4
93.07044	4.5
95.04974	22.7
95.08607	2.3
97.02907	5.5
97.06534	0.9
97.10157	1.2
105.07050	7.5
107.04960	6.4
107.08604	2.4
109.02886	1.3
109.06521	2.1
109.10169	1.7
111.04424	2.0
111.08086	9.5
115.03937	0.8
115.05453	1.1
116.08485	0.6
117.06966	0.8
119.08591	7.4
121.06486	1.7
121.10169	4.6
123.04455	2.8
123.08036	1.2
127.03919	2.4
129.07001	6.3
131.08572	6.6
133.06499	3.3
133.10167	4.7
135.11682	1.2
137.09592	1.1
142.07835	1.6
145.04988	2.9
145.10114	1.5
147.04428	0.8
147.08025	2.8
147.11690	6.0
149.09639	4.2
157.10139	9.0
163.06073	5.8
163.11215	2.0
165.12796	2.3
175.11201	11.6
193.12259	57.8
211.13295	5.0
235.13332	3.9
259.13318	2.1
267.15936	39.5
270.92850	0.7
273.14743	1.0
285.16983	100.0
286.17331	1.9
309.16983	18.2
327.17953	2.4
351.17868	3.4
355.33496	0.7
363.18140	6.1
374.55664	0.8
375.18164	4.4
393.19006	5.6
405.75201	0.7
411.20096	3.8
429.21298	11.7
461.24020	1.3
574.48480	0.8
591.26337	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	676.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15534	0.7
53.03940	2.8
55.01857	1.6
55.05518	3.4
55.31442	0.7
57.03435	3.6
61.02925	6.1
67.05511	7.0
69.03428	3.0
69.07061	1.6
69.27589	2.5
69.28018	3.5
70.06622	0.8
70.76463	0.6
71.04984	1.5
71.44168	0.6
73.02898	2.2
75.04455	0.8
76.31963	0.6
76.58088	0.6
79.05499	6.9
81.03421	68.2
81.07060	7.0
83.04977	4.0
83.08622	18.4
85.02908	9.0
89.19682	0.7
91.03955	5.9
91.05477	8.3
93.07054	3.9
95.04971	23.5
95.08596	2.4
97.02892	6.0
97.06514	1.0
97.10179	1.5
103.03981	1.2
105.07045	6.3
107.04964	5.7
107.08596	2.9
109.06491	2.1
109.10149	1.6
111.04430	1.9
111.08092	8.9
115.05455	0.9
117.07029	0.9
119.04921	1.0
119.08586	7.7
121.06517	1.6
121.10150	3.4
123.04434	2.8
125.09572	0.8
127.03925	2.8
129.07019	6.4
131.08574	5.0
133.06494	2.2
133.10121	4.2
135.11732	0.8
137.05942	0.8
137.09575	1.6
142.07805	1.2
145.04991	3.5
145.10136	1.5
147.04413	1.4
147.08032	2.4
147.11684	6.6
149.09615	4.8
150.21892	0.6
151.03928	1.0
157.10150	10.0
163.06029	5.7
163.11180	1.5
165.12828	1.3
173.09630	0.8
175.11180	12.6
193.12253	58.0
194.12532	1.0
203.10663	0.9
207.13747	1.0
211.13312	5.6
235.13280	4.1
246.12115	1.1
246.76912	0.6
249.14857	1.0
259.13330	1.6
267.15930	36.9
268.16165	0.9
273.14871	1.1
285.16977	100.0
286.17398	1.4
287.05722	3.3
301.14468	2.0
309.17001	17.5
327.17963	1.6
351.18298	3.3
363.17944	7.3
375.18079	3.2
393.18976	2.9
411.20190	3.8
429.21259	11.9
435.78000	0.7
591.26184	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97444	1.5
53.03954	3.5
55.05515	10.2
57.03434	5.6
59.25792	1.4
61.02927	21.3
67.05173	2.7
67.05508	29.3
69.03437	8.6
69.07081	9.8
70.00107	2.3
70.00504	4.7
70.61523	1.4
71.05002	4.0
73.02922	6.3
75.04470	1.4
79.05068	2.4
79.05500	36.0
79.65184	1.4
81.03415	6.8
81.06574	2.6
81.07056	29.3
83.04984	5.2
83.08615	5.5
85.02912	24.3
85.06547	3.5
85.88478	1.4
88.37224	1.7
88.52995	1.7
91.03954	17.3
91.05483	35.1
93.07046	37.0
95.04965	5.6
95.08621	15.7
97.02907	12.9
97.06522	4.1
97.10126	2.7
99.04446	3.1
99.08105	2.0
103.05469	1.6
105.07037	38.7
107.04960	3.8
107.08605	22.1
109.06557	2.0
109.10179	9.8
111.08096	2.0
113.09677	1.6
117.07005	10.9
119.07800	2.7
119.08591	28.7
121.06507	2.1
121.10129	15.4
123.08106	2.0
125.42638	1.4
127.03929	8.1
128.06187	2.3
129.06981	8.5
131.08577	17.2
133.10144	26.9
135.11693	17.0
137.05898	1.8
137.09578	2.7
140.82837	1.7
141.06973	2.4
143.08566	8.5
145.04951	6.7
145.10110	15.6
147.08046	2.2
147.11697	23.7
149.09631	2.1
149.13283	10.6
155.08511	2.9
157.10170	9.1
159.11685	14.2
161.13271	19.5
163.06013	8.0
163.11227	2.2
163.14845	3.0
166.24568	1.7
169.10162	3.3
171.11758	8.9
173.04506	1.9
173.11864	2.2
173.13275	6.4
175.11189	2.6
175.14867	13.2
176.20065	1.6
177.12758	1.8
183.11772	2.7
185.13277	6.4
187.14830	1.7
189.12718	3.6
199.14847	4.9
203.14333	2.1
211.13309	1.6
213.16466	1.8
231.21140	4.9
241.19521	19.8
259.20602	46.6
271.20670	2.3
275.20343	2.1
277.21744	3.4
283.20633	1.9
301.21585	2.3
333.24277	3.3
349.23859	3.3
351.25299	100.0
352.25620	2.2
363.25351	4.2
367.22763	3.3
375.25327	4.7
385.23819	2.2
393.26431	3.3
417.26270	3.6
429.26233	3.7
438.49695	1.9
441.26645	9.5
459.27786	10.0
460.27838	2.9
477.28329	9.4
478.28745	3.1
495.29559	11.6
610.88947	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01873	2.3
55.05515	8.3
57.03445	5.6
57.07070	2.7
59.18282	1.0
60.12017	0.7
61.02644	1.3
61.02932	17.6
62.22541	0.8
64.56346	0.9
65.03928	2.1
67.05508	26.4
69.03410	3.3
69.07072	8.8
70.73971	0.8
71.04982	2.6
73.02911	6.0
79.05494	31.7
81.03439	4.6
81.07060	27.8
83.04990	2.4
83.08616	6.1
85.02908	21.2
85.06541	2.4
85.30379	0.9
87.04471	1.6
91.03966	12.5
91.05483	30.8
93.07047	42.2
95.04965	3.6
95.08047	1.7
95.08615	20.9
97.02893	11.0
97.06547	2.7
97.10176	2.6
98.20741	2.2
99.04415	1.2
99.08086	2.5
103.03947	1.6
105.07040	32.5
107.04950	2.0
107.08602	24.3
109.02868	2.1
109.06512	2.9
109.10179	10.0
111.08106	1.4
113.09661	0.8
115.05462	1.2
116.24251	1.0
117.07019	9.7
119.08591	28.6
121.06487	2.0
121.10147	21.5
123.08073	1.1
123.11700	2.2
125.09612	1.6
127.03930	4.3
128.06248	1.3
129.05498	1.5
129.07027	8.2
131.08578	15.3
133.06509	1.2
133.10139	26.5
135.08064	1.7
135.11707	18.8
137.09595	2.1
142.07730	1.9
143.08582	6.2
143.09528	0.9
145.04955	4.0
145.06487	1.6
145.10121	13.5
147.08015	1.8
147.11700	18.7
149.09622	3.6
149.13257	12.8
150.65625	1.0
155.08578	2.5
157.10143	6.7
159.11699	11.2
161.09624	2.3
161.13274	18.5
163.06055	5.8
163.07178	0.9
163.11206	2.8
163.14810	5.1
165.12712	1.8
167.08583	1.2
169.10161	1.6
171.07994	1.3
171.11703	9.9
173.09677	1.4
173.13269	7.3
175.11214	2.0
175.14796	11.4
177.12733	1.2
181.10016	1.0
183.11694	2.9
183.67448	0.9
185.13235	9.4
187.14807	2.9
189.12746	1.4
191.10825	1.0
193.12195	1.0
195.11766	1.9
195.13756	1.0
197.13298	1.4
199.14851	4.0
203.14432	2.0
205.10127	0.9
211.14801	1.1
213.12909	1.7
213.16455	2.6
217.15942	1.3
217.19496	2.8
225.12842	1.4
231.17439	1.5
231.21129	5.1
241.19514	16.4
259.20596	44.1
261.22159	0.9
277.21671	6.2
301.21606	2.0
313.21710	1.3
321.21863	1.1
325.21503	1.8
333.24246	11.1
339.22919	1.4
349.21301	1.9
349.24078	0.9
351.25296	100.0
352.25638	2.0
357.24213	1.1
363.25269	3.4
367.22830	3.3
375.25464	4.3
385.23666	2.4
387.25549	1.9
403.24609	1.7
405.26492	1.0
417.26282	3.3
429.26233	1.4
441.26361	11.7
459.27499	9.0
477.28485	9.4
478.28571	2.1
495.29636	13.1
513.30811	1.0
532.13129	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.266
Annotation	Unknow
Peak:m/z	Relative Intensity
94.37656	0.3
113.01016	0.3
133.63651	0.3
175.04521	0.3
179.11844	0.3
262.67642	0.3
410.59512	0.3
444.18585	0.3
445.19427	0.5
453.15408	0.7
454.16989	0.6
455.12921	0.6
467.12958	0.5
468.13474	1.7
469.14880	7.0
470.15604	1.5
471.16028	0.7
479.17090	0.4
480.14297	0.4
481.14731	2.1
482.15848	8.7
483.16650	8.3
484.17526	1.8
485.18210	0.6
495.16739	3.4
496.17459	5.8
497.18256	38.6
498.18973	3.7
499.20032	0.7
505.84021	0.3
509.19144	0.3
510.19318	1.8
511.19852	4.4
512.20551	1.4
513.17993	0.3
515.19385	1.2
523.16290	0.7
524.17529	0.5
525.19330	0.3
527.15790	0.4
528.16565	1.5
538.20508	0.6
541.16937	0.8
542.17883	1.9
555.18762	3.5
556.19562	3.7
557.20355	3.6
569.20508	0.6
571.21375	0.6
573.23291	0.4
583.21979	0.5
585.23932	0.4
616.21594	1.7
617.22498	0.7
629.22919	0.8
630.23517	0.5
643.24060	8.0
644.24829	8.8
645.23407	1.3
657.25665	6.5
658.25623	0.5
660.24341	1.2
675.26636	100.0
676.26776	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	675.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53749	0.2
51.32383	0.2
57.73890	0.2
67.05511	0.3
70.17150	0.5
70.17532	0.5
81.07085	0.3
93.78469	0.2
98.20898	0.3
116.89201	0.2
202.13133	0.2
347.65381	0.2
359.61066	0.2
399.14319	0.3
401.16751	0.3
412.15787	0.3
413.16101	0.8
421.19153	0.3
423.36481	0.2
425.16168	0.5
426.17093	0.5
427.17984	0.4
428.18552	0.7
429.15848	0.9
430.16306	0.9
439.13751	0.4
440.14517	0.4
441.20084	1.1
442.17239	0.4
443.17444	1.2
444.18231	1.2
445.18860	2.4
453.15793	0.6
454.16522	0.7
455.13162	0.4
456.13049	0.3
456.18115	0.9
457.14951	1.7
457.19485	1.1
458.20013	0.5
467.12714	0.4
467.17429	1.1
468.14166	0.9
468.19284	0.4
469.14258	2.2
470.15582	1.7
471.16309	3.5
472.17538	1.4
473.18314	0.4
480.14258	1.8
481.14841	2.5
482.15878	2.7
483.16736	3.7
484.17450	1.0
485.18408	4.3
494.16049	0.3
495.16757	10.0
496.17453	5.1
497.18307	9.8
498.19333	1.3
499.16293	0.4
499.19846	0.7
500.17282	0.6
502.18484	0.4
503.18661	0.3
510.18713	0.6
511.20117	1.2
512.20508	0.4
513.17780	1.4
514.18658	0.5
515.19678	1.1
517.21106	0.3
524.18445	0.3
525.17877	0.3
527.19781	0.7
529.20734	0.9
530.21667	0.4
531.19275	0.4
536.19690	0.3
538.21350	0.3
541.17224	0.4
542.18524	0.4
543.22131	0.3
545.23877	0.3
555.18726	11.8
556.19604	0.9
557.20612	0.8
573.24036	3.6
574.23944	0.2
583.22113	0.9
584.22302	0.3
585.23584	0.6
601.22375	0.5
616.21649	0.4
617.22540	2.9
627.21198	0.3
642.33496	0.3
643.24005	4.6
644.24835	1.4
645.21912	2.6
657.25763	0.6
660.24280	5.9
675.26672	100.0
676.26813	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	675.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11112	0.5
51.97673	0.5
53.03944	2.3
55.01884	0.6
55.05505	2.5
57.03188	0.8
57.03443	11.8
57.03720	0.4
61.02923	2.4
67.05509	1.1
69.03080	0.7
69.03429	8.2
70.06593	0.7
71.01358	0.7
71.04995	1.3
71.53806	0.9
72.79356	0.5
73.02898	1.4
75.04494	0.7
79.05486	1.0
81.03403	3.2
81.07070	1.3
81.27575	0.5
83.04984	11.3
85.02902	5.5
87.04473	1.0
89.06023	0.5
91.05470	2.9
92.96783	0.7
93.07040	1.7
95.01290	1.2
95.04951	1.2
95.08624	0.9
97.02898	8.7
97.06551	1.0
99.04456	15.0
103.03943	1.1
105.07049	2.6
107.08588	2.4
109.02125	1.0
109.02879	21.7
109.06539	1.4
111.04433	0.8
113.02357	1.6
115.05499	0.7
117.05497	100.0
119.04955	0.6
119.08556	2.9
121.06467	2.9
123.04428	1.8
123.08028	0.9
127.03920	17.8
128.06224	1.9
129.07043	2.6
131.08545	2.9
133.06497	1.1
133.10129	0.6
135.08054	28.3
137.05986	1.6
141.01819	3.0
141.06975	2.3
142.07788	3.9
143.08557	5.0
144.09317	0.9
145.06519	1.5
145.10168	2.0
147.08046	3.3
147.11716	0.9
149.09642	4.8
151.07576	0.7
153.07024	3.6
155.08542	3.6
156.09361	6.6
157.06493	1.2
157.10120	6.1
158.07251	2.7
159.06558	2.0
159.08072	5.2
159.11742	3.4
161.05914	0.9
161.09601	1.1
163.07608	1.2
165.06956	1.3
165.09149	0.6
166.07706	3.5
167.08611	0.8
168.09355	4.5
169.06461	1.3
169.10179	0.9
171.08069	7.5
171.11659	6.4
171.95671	0.6
172.08865	3.9
173.09619	6.0
173.13287	0.8
175.07571	2.8
175.11201	1.7
181.10152	4.1
182.07303	0.9
183.06549	22.2
183.07941	1.1
183.11719	4.2
184.08853	6.5
185.09618	9.4
186.10461	2.6
187.07571	0.9
187.11191	7.3
189.09140	1.0
189.12714	1.1
191.07109	0.9
194.07216	0.6
197.06007	1.4
197.09650	2.0
199.11191	26.8
201.07571	7.2
201.12776	1.2
203.10663	17.0
209.09608	6.5
211.07536	0.8
212.08313	8.9
215.10681	39.9
216.10941	0.7
217.12239	4.2
219.08659	1.9
227.10658	24.0
233.11710	11.0
245.11746	41.6
263.12811	13.9
275.07782	2.1
293.08679	13.0
329.14334	0.7
347.14896	41.2
359.09808	2.7
365.15936	1.4
371.14914	9.4
389.15942	2.9
445.18582	17.8
463.19669	13.0
481.20160	1.0
520.47980	0.6
621.21527	0.7
639.22949	2.0
675.26923	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.3
55.01876	17.5
55.05512	26.0
57.03430	3.7
57.07073	1.9
58.07949	2.2
58.68681	1.9
65.03931	3.4
67.05508	53.8
69.03439	10.4
69.06731	3.6
69.07069	46.9
69.26472	16.4
69.82788	1.9
79.05061	3.0
79.05495	42.9
81.03424	11.9
81.07062	57.8
83.04996	8.9
83.08614	12.9
85.02932	1.8
85.06548	2.8
88.16394	1.8
89.06020	3.9
91.05486	57.4
91.11108	2.1
93.07049	50.8
94.07378	2.2
95.01340	9.6
95.04939	11.1
95.08612	30.2
97.02876	7.3
97.05929	2.2
97.06534	35.8
97.10159	11.4
99.08107	2.7
105.07040	71.8
106.07342	2.7
107.04945	17.5
107.08594	24.9
109.06480	5.9
109.10190	11.2
111.08110	2.8
117.07028	17.1
119.07812	2.8
119.08585	35.6
121.06479	4.4
121.10159	9.3
123.08045	3.0
125.09612	7.3
129.07002	5.6
130.07784	2.2
131.08578	24.6
133.06465	4.1
133.10130	39.7
135.08055	5.9
135.11700	6.4
137.09589	2.7
141.07016	4.4
143.08543	6.6
145.06487	3.9
145.10129	19.0
147.08022	5.5
147.11693	14.1
149.09612	6.3
149.13203	5.0
151.17682	1.8
157.10126	5.7
159.07936	2.0
159.11671	13.1
161.09583	3.6
161.13211	2.7
163.11180	9.3
165.09058	3.1
165.12737	2.3
169.10078	2.5
173.13341	3.1
175.11179	2.9
177.12767	4.1
179.14342	12.1
187.11200	3.8
187.14746	2.3
189.11215	3.2
195.13786	2.8
197.13239	2.9
205.12047	2.4
209.24605	1.8
219.17456	6.9
223.13283	16.1
227.12708	3.5
228.52672	1.8
239.17969	2.7
249.14723	2.4
257.19046	5.6
257.47455	1.9
273.18451	13.8
275.20081	73.1
291.19540	70.9
293.21118	5.7
349.23730	31.7
365.19043	3.1
365.23300	48.8
392.49969	2.0
465.72778	2.3
541.35236	2.8
621.40979	3.0
639.42572	100.0
650.02362	2.3
674.42969	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	673.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.2
55.01873	10.4
55.05514	27.2
55.46208	2.2
57.03444	19.0
57.07079	2.3
59.03540	1.6
65.03936	6.1
67.05505	92.6
69.03433	32.0
69.07070	34.1
69.16875	18.2
71.04974	6.0
79.05493	65.4
81.03070	2.0
81.03434	22.5
81.07059	100.0
83.04996	10.5
83.08619	20.0
85.02889	4.8
85.06557	11.2
91.05482	61.5
93.06480	3.6
93.07047	66.1
95.04376	2.3
95.04965	39.3
95.08607	44.4
96.08961	2.7
97.02881	7.4
97.06537	13.0
97.10186	8.2
99.04408	1.8
99.08083	2.8
103.05467	2.8
105.04552	2.6
105.07030	45.4
107.04959	14.8
107.08594	36.9
107.27866	1.7
109.02852	4.8
109.06528	35.4
109.10133	16.6
110.10493	1.9
111.04430	5.9
111.08094	5.6
113.06017	13.9
115.05456	3.7
117.07014	28.8
119.04861	2.9
119.08583	26.9
120.08923	1.8
120.60655	1.7
121.06503	10.4
121.10141	25.7
123.08042	5.1
123.11705	6.2
125.05956	1.8
125.09662	4.2
127.03909	2.4
128.06230	3.6
129.05464	1.8
129.07019	14.3
130.07813	2.1
131.08578	34.3
133.06474	3.4
133.10133	26.4
135.08067	24.2
135.11694	18.6
137.05959	2.8
137.09615	4.8
137.13220	1.7
139.07457	2.1
141.06973	3.8
142.07805	2.8
143.08569	13.3
145.06464	4.9
145.10118	19.7
147.08078	8.6
147.11699	16.2
149.09610	7.7
149.13240	15.3
151.07486	2.1
151.11185	4.1
155.08566	6.8
157.06577	2.7
157.10123	11.7
159.08072	5.5
159.11685	19.5
161.09604	8.1
161.13239	5.3
163.11145	2.4
165.09087	2.3
165.12706	3.2
167.08569	2.8
169.10104	4.7
171.08052	2.7
171.11679	10.7
173.09631	3.6
173.13255	7.3
175.11211	5.3
175.14847	3.1
177.09158	1.9
177.12747	7.2
179.14174	2.7
181.10104	3.9
183.11688	5.3
184.07310	5.4
185.09685	2.9
185.13260	5.9
187.11139	2.2
187.14827	2.7
189.11299	1.9
192.07446	1.8
193.10175	2.2
195.11783	2.2
195.13826	8.8
199.14748	4.3
201.12970	2.0
205.12355	1.9
207.13762	2.0
209.13329	2.7
211.14865	2.9
213.12778	2.1
213.14729	2.8
215.12672	3.2
217.15887	7.2
219.13824	2.8
221.15381	2.2
223.13235	4.3
225.12785	2.1
233.15364	4.4
257.18976	2.1
259.20566	3.5
267.15881	2.0
269.17453	13.8
273.18573	21.9
275.20157	4.9
277.21594	4.7
280.32446	1.7
289.21567	2.8
291.19547	78.3
301.21555	6.1
315.23050	2.6
319.22562	3.9
335.25781	4.6
336.26578	3.2
339.17966	3.1
341.24707	3.4
345.20264	1.8
347.22183	4.8
351.23212	3.3
365.19318	2.6
365.23376	14.7
369.24216	11.5
383.12314	1.9
387.25107	5.0
395.20688	2.5
405.26715	3.1
425.26917	3.1
443.27957	6.6
461.28775	6.9
476.34439	2.5
480.21390	3.3
594.24786	3.1
619.39624	2.1
629.30280	2.7
637.25970	2.2
637.41028	10.3
644.11096	1.8
646.73938	1.8
655.26941	3.2
655.42023	27.9
673.28833	5.4
673.43011	53.6
674.43225	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	673.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10855	2.1
53.03942	15.8
53.47011	1.8
55.01881	12.7
55.05515	27.1
57.03443	28.5
57.07070	3.0
61.02929	33.3
62.84121	2.0
64.59753	1.9
65.03938	4.5
67.05507	71.9
69.03433	60.8
69.07072	29.5
70.70343	6.0
71.01345	5.4
71.05000	13.2
71.08631	3.9
71.13172	1.8
73.02922	17.4
74.53655	2.2
79.05499	61.4
81.03424	74.1
81.07059	100.0
83.04989	22.9
83.08617	16.2
85.02908	68.5
85.06527	4.1
86.06062	3.8
87.04445	3.9
91.03471	2.2
91.03973	18.0
91.05483	57.2
93.06487	3.2
93.07052	63.1
95.04971	16.0
95.08614	40.2
97.02896	70.8
97.06554	18.4
97.10177	10.3
99.04462	20.1
99.08099	9.3
101.02415	10.1
103.03951	7.9
103.05444	3.2
105.07037	51.7
107.04964	18.6
107.08593	35.8
109.02889	25.1
109.06528	12.0
109.10158	18.2
111.04472	10.6
111.08091	9.9
113.02383	1.9
115.03926	3.8
115.05478	2.1
115.29762	1.8
116.10706	3.7
117.07014	24.3
119.04973	2.5
119.08590	44.4
121.06516	8.4
121.10138	21.8
123.04445	4.8
123.08092	8.8
123.11713	6.6
125.09625	8.0
127.03917	38.5
128.06221	2.3
129.05499	12.1
129.06978	11.0
131.04919	3.8
131.08565	31.6
133.06485	8.8
133.10139	37.8
135.08037	8.7
135.11671	16.7
137.05977	4.2
137.09639	4.9
139.11168	3.1
141.06987	6.6
142.07831	3.0
143.08566	10.5
145.04976	15.4
145.06453	6.1
145.10124	26.6
147.08063	4.8
147.11676	24.5
149.06010	3.0
149.09665	13.6
149.13271	15.3
151.07538	2.7
151.11186	3.9
153.09152	2.6
155.07159	2.3
155.08543	8.5
157.10054	10.8
159.06502	2.5
159.11702	28.0
161.05963	2.1
161.09621	5.6
161.13266	8.8
163.07541	2.4
163.11179	8.7
165.05402	2.3
165.09093	3.0
165.12753	7.5
169.10161	5.0
171.08069	2.9
171.11676	8.9
173.04472	15.0
173.09639	3.9
173.11844	4.1
173.13272	14.3
175.11214	6.2
177.09129	2.3
177.12787	12.5
179.14313	5.2
183.06555	12.4
183.11726	6.9
185.13269	4.4
187.11153	3.8
189.11179	6.2
189.12733	4.3
193.12344	2.5
195.13834	13.1
197.13329	5.1
199.14874	2.4
201.07460	4.1
201.12733	4.2
213.12869	3.3
213.14828	5.2
219.13776	4.5
223.14960	2.5
227.12814	5.3
229.14381	5.9
229.19415	4.3
239.17917	7.6
247.20544	5.6
257.19003	20.5
261.14853	3.9
269.17468	51.0
275.20093	69.8
276.20206	2.0
291.19489	3.9
293.21030	7.7
297.17062	3.8
303.16003	2.2
317.20923	2.2
321.17026	4.4
321.24457	2.0
326.23044	2.6
327.23483	4.0
331.22745	7.2
339.18124	8.2
345.20743	2.4
347.22330	2.4
349.23746	99.3
355.22696	2.9
365.20584	2.7
367.24789	7.9
373.23831	5.6
377.19467	7.7
377.23480	2.9
383.21899	3.8
385.23883	2.6
391.24780	6.2
395.20447	10.6
413.21811	23.9
415.24469	3.7
419.24274	4.6
433.26028	2.9
453.29047	2.4
457.25653	5.0
475.26971	11.9
493.27954	26.5
511.28928	24.2
575.28387	3.8
642.36414	2.1
673.34442	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	673.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	14.6
55.01872	12.5
55.05517	31.4
57.03187	3.4
57.03443	33.8
57.07078	2.8
61.02931	30.0
65.03956	5.2
67.05513	80.4
69.03436	65.4
69.07073	30.6
71.01363	4.8
71.04997	15.8
73.02922	18.3
73.88158	1.6
77.94462	1.9
79.05498	67.1
81.02929	2.4
81.03425	97.4
81.07063	100.0
83.01315	2.4
83.04997	30.1
83.08624	16.3
85.02914	67.7
85.06564	5.2
87.04485	5.0
91.03956	18.4
91.05490	61.4
93.06477	4.5
93.07048	66.4
95.04974	25.1
95.08614	42.4
97.02898	68.9
97.06538	16.4
97.10180	13.2
99.00855	2.1
99.04467	21.8
99.08127	4.9
101.02386	9.3
103.03959	11.7
103.05492	2.9
105.07043	46.0
107.04974	18.5
107.08601	46.9
109.02888	32.3
109.06519	10.6
109.10164	23.0
111.04452	11.2
111.08097	8.4
113.02338	2.1
115.03963	6.7
115.05463	4.1
117.07016	26.5
119.04940	3.2
119.08591	43.0
121.06524	17.5
121.10150	23.1
123.04445	5.3
123.08070	8.2
123.11733	8.1
125.09629	10.6
127.03923	38.7
128.06253	4.1
129.05508	13.4
129.07011	14.2
131.04939	5.3
131.08571	33.7
132.37920	2.0
133.06522	6.5
133.10144	35.9
135.04434	3.2
135.08064	10.8
135.11678	14.9
136.81573	2.1
137.06020	4.1
137.09636	5.3
139.03900	2.8
139.11192	2.3
141.06982	3.8
142.07741	2.1
143.08533	10.3
145.04988	8.0
145.06503	5.7
145.10138	26.3
147.04428	2.5
147.08112	3.2
147.11685	27.2
149.06020	3.6
149.09647	15.1
149.13248	22.9
151.11241	6.0
153.09196	2.7
155.07217	1.9
155.08565	5.5
156.09315	2.2
157.06522	3.6
157.10141	8.7
159.08113	4.3
159.11700	26.3
161.05974	1.9
161.09669	2.5
161.13297	10.2
163.07533	2.6
163.11195	7.9
165.09180	1.9
165.12804	5.5
167.08537	2.8
169.06378	2.7
169.10143	5.2
171.06538	2.1
171.11728	9.5
173.04497	29.3
173.05934	2.9
173.09579	2.5
173.11896	3.7
173.13293	11.3
175.11189	7.8
177.12761	15.7
179.14343	5.3
183.06609	15.2
183.11691	5.5
185.09714	2.1
185.13266	3.3
187.11246	3.5
187.14803	3.3
189.08868	1.9
189.11243	7.3
189.12805	3.0
191.14337	3.1
193.10530	2.4
193.12254	6.1
195.11993	3.0
195.13812	21.9
197.13354	4.7
199.11243	2.7
201.07640	7.9
201.12785	4.3
203.14336	1.9
207.11777	2.5
211.13260	2.4
213.13016	3.2
213.14694	9.0
215.14342	2.3
219.13960	4.0
227.12819	4.9
229.14398	5.7
229.19525	4.0
229.91154	2.0
233.15456	3.7
237.14902	2.2
239.18013	6.8
247.20680	6.4
249.14825	3.8
257.15524	2.1
257.16397	2.7
257.18994	18.0
261.14966	4.5
265.14386	2.0
267.15958	8.6
269.17471	47.7
273.14957	2.1
275.16885	5.4
275.20074	60.1
279.15793	1.9
285.07544	2.1
285.17282	3.0
285.83041	2.0
293.17590	3.8
293.21057	6.3
297.17065	6.2
299.20081	2.9
301.07156	2.3
303.16016	5.9
311.18658	5.4
321.17017	5.3
321.24515	2.9
323.81287	2.0
331.22733	5.7
335.18405	2.9
339.17859	9.1
349.23752	76.7
353.19522	2.3
359.18716	2.4
365.20596	2.4
367.24954	11.4
373.23587	3.8
377.19485	10.0
383.22018	2.5
391.24774	4.7
395.20566	18.1
413.21799	50.2
419.24295	4.3
433.25827	2.3
439.25699	2.6
445.26077	2.1
457.25937	2.3
459.27319	2.9
461.28052	6.0
461.93848	2.3
475.26953	8.5
477.28479	3.6
478.29263	2.4
479.28845	3.5
493.27896	19.2
511.29196	18.0
557.25299	2.9
575.27100	4.5
673.33575	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	673.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	14.6
55.01882	13.7
55.05268	2.3
55.05516	29.7
57.03438	32.3
61.02933	29.7
65.03938	5.3
67.05508	78.2
67.19096	2.2
69.03434	64.4
69.07070	20.8
69.93289	12.2
71.01343	8.3
71.04996	14.4
73.02917	18.3
79.05496	65.7
81.03421	89.8
81.06581	4.9
81.07061	100.0
83.04990	32.3
83.08627	16.9
84.08182	3.0
85.02428	4.3
85.02907	58.7
85.06551	8.7
87.04461	6.4
88.01106	2.5
91.03963	16.9
91.05479	54.5
92.62611	2.3
93.07047	63.3
94.07292	3.0
94.47826	2.2
95.04982	21.2
95.08614	44.4
95.14399	2.3
97.02890	67.7
97.06541	16.7
97.10157	8.0
98.21429	2.7
99.04472	17.0
99.08119	5.8
101.02364	9.7
103.03950	15.9
103.05430	3.8
103.17424	2.4
105.06393	4.0
105.07039	54.5
107.04977	14.9
107.08597	43.5
109.02892	30.2
109.06536	12.7
109.10162	22.2
111.04463	11.5
111.08064	7.6
115.03949	4.0
115.05411	2.9
117.07025	27.1
119.08585	44.8
121.06494	9.1
121.10146	26.5
123.04448	5.4
123.08083	8.8
123.11684	7.2
125.05948	3.9
125.09629	7.3
127.03925	45.1
128.06204	5.0
129.05499	13.4
129.06999	10.6
131.04906	3.8
131.08566	33.9
133.06502	6.1
133.10129	34.1
135.08066	11.5
135.11700	16.8
137.05988	6.3
137.09612	6.1
139.11176	3.2
141.06955	2.8
142.07799	4.8
143.08568	9.9
145.04967	10.8
145.06494	4.3
145.10138	34.2
147.08060	6.2
147.11690	20.3
149.05940	3.3
149.09612	10.3
149.13272	21.3
151.11217	2.5
153.12857	2.9
155.08543	6.9
156.09331	2.3
157.10133	8.0
159.08070	6.0
159.11710	35.1
161.05945	4.4
161.09605	3.8
161.13229	7.3
163.11226	7.9
165.05479	2.5
165.09091	3.0
165.12738	5.9
167.07094	3.3
169.10104	5.3
171.07999	4.0
171.11720	7.7
173.04483	31.1
173.05882	4.4
173.09618	4.3
173.13269	11.4
175.07564	2.4
175.11180	5.3
177.12701	14.2
179.14404	4.0
181.10240	2.3
183.06523	15.1
183.11681	7.3
184.50311	2.7
185.09746	3.2
185.13283	3.0
187.14833	2.9
189.11111	2.6
189.12744	3.4
193.12218	6.3
195.13795	19.2
197.13289	6.2
199.14952	3.3
201.07567	8.3
201.12700	3.2
201.65518	2.3
209.11664	2.6
211.14877	5.2
213.14819	7.9
219.13852	3.6
227.12633	2.9
229.12334	2.7
229.14343	4.8
233.15337	3.8
239.18018	4.8
247.20592	5.2
249.14909	3.8
257.15237	2.6
257.19025	12.9
261.14832	4.7
261.58698	2.3
267.15894	6.3
269.14868	4.0
269.17490	46.5
275.16745	5.3
275.20050	45.7
283.15359	3.1
285.07474	3.0
287.05521	3.3
293.17487	3.5
293.21069	6.7
297.16980	5.4
301.07126	8.0
303.15851	9.3
311.18536	3.6
321.16977	3.8
323.18390	2.7
331.22595	4.2
335.18506	4.4
339.18039	14.3
341.21118	3.2
349.19769	5.1
349.23767	61.9
353.20361	3.1
367.24734	9.8
377.19531	14.1
383.21954	3.9
391.24789	4.8
395.20648	17.4
401.22977	3.1
403.24542	2.7
413.21786	45.3
419.24426	3.6
432.91632	2.6
451.05203	2.4
475.26758	5.7
477.28415	11.5
493.27905	20.8
495.29337	4.8
511.29147	26.3
575.27203	3.0
673.34363	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	673.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.7
55.05506	6.5
57.03431	2.8
67.05502	18.5
67.11382	1.9
68.05254	1.4
69.03416	5.7
69.07055	5.6
69.36302	4.8
69.36726	6.8
79.05503	13.6
81.03437	7.0
81.07056	16.8
83.04984	2.6
83.08626	3.7
91.05489	11.6
93.07040	10.9
95.04974	4.4
95.08604	9.1
97.06525	1.8
97.10181	1.9
105.07050	8.4
107.04921	2.0
107.08604	8.8
109.06546	4.3
109.10184	3.1
110.33393	1.7
113.05994	1.8
117.07045	3.8
119.08620	6.2
121.06550	1.4
121.10178	3.2
123.08162	1.6
123.48299	1.4
129.07010	2.7
129.32085	1.9
131.08640	6.6
132.08086	1.7
133.06122	3.1
133.10138	4.7
135.08087	1.9
135.11705	3.0
143.08601	2.5
145.10136	4.2
146.04991	1.6
146.09659	1.9
147.08102	1.8
147.11697	3.0
149.13324	2.5
159.09192	6.9
159.10385	1.7
159.11746	3.4
160.09990	1.9
161.09590	1.6
164.10762	3.9
173.27739	1.6
182.21951	1.5
195.13846	1.6
208.11258	2.7
209.10789	3.0
210.11504	2.9
211.12366	3.0
223.12389	6.3
224.13065	3.9
225.13876	10.2
234.11465	1.6
235.12512	3.0
236.14423	3.5
237.13840	9.4
238.14679	15.1
239.15570	7.1
250.14354	1.6
251.15463	3.4
253.17064	4.9
263.14307	2.4
265.17126	1.9
267.16113	1.8
273.18503	3.3
273.92889	1.9
276.14951	3.7
277.16623	1.5
279.15079	1.7
280.76019	1.8
286.13422	2.1
288.11569	2.1
288.15009	2.6
291.19583	4.6
301.15897	2.8
302.13171	1.9
302.16406	1.9
304.14664	3.0
314.16525	2.8
316.18176	3.9
325.15881	2.1
326.16757	3.2
327.17438	2.9
339.17020	2.8
340.18118	2.0
341.18845	1.5
342.19553	1.8
351.16870	2.1
352.18045	5.2
353.18021	2.9
354.19699	2.5
355.19608	1.9
364.17944	2.7
365.18005	2.7
366.19275	1.8
367.19559	2.0
376.17303	1.7
379.19391	3.7
381.16620	1.9
381.20990	2.2
382.18011	2.9
389.21347	2.3
391.19235	2.7
393.21130	2.4
394.18604	2.9
395.18637	3.6
397.20334	2.2
400.20178	2.8
402.22214	3.1
403.22556	2.1
405.17136	6.2
406.17865	5.3
407.18686	4.8
408.20026	2.5
409.20377	4.5
410.21542	4.3
411.22153	2.4
418.25140	2.4
419.18518	3.1
420.19617	6.0
421.20285	5.7
422.21451	5.5
423.22110	10.9
425.19537	1.9
433.20731	4.6
434.20764	2.0
436.22797	4.9
437.23688	4.9
438.20825	5.1
439.21649	3.5
440.22357	2.6
441.23019	2.2
442.21732	1.5
443.22189	3.2
445.23795	3.0
446.21091	3.1
447.22397	3.4
448.18622	12.3
449.19138	2.7
449.24216	2.8
452.19562	1.9
453.23035	1.7
455.24554	4.2
459.21802	1.8
460.22122	1.9
461.23645	7.2
462.20728	4.7
464.22623	3.0
465.23364	2.5
466.19971	4.5
467.22897	1.6
468.24905	2.6
475.21478	2.3
477.23151	4.7
480.21515	15.3
481.22314	2.8
482.23880	2.3
484.24713	2.7
490.19598	2.2
492.22278	1.9
493.22659	2.6
495.23761	4.3
497.25275	2.3
498.26404	2.8
499.27240	4.9
505.25958	2.3
507.24033	2.2
508.21164	2.5
509.25320	4.6
519.23724	5.1
523.27209	5.5
524.26459	2.8
525.28143	2.9
526.25366	2.3
527.26569	5.8
533.25476	2.1
535.24200	2.0
541.27960	7.0
544.25391	2.1
551.26678	6.1
552.25031	2.5
553.25043	1.8
554.25183	7.8
557.24304	2.1
569.27704	13.8
572.26544	2.5
577.24548	5.1
579.25934	4.4
583.29169	3.2
584.26819	2.1
585.30640	5.7
587.28607	6.5
594.25012	18.7
595.25507	93.3
596.26239	3.8
597.27197	5.4
599.26349	2.4
601.30304	11.2
605.23737	10.2
609.27002	58.9
611.28613	23.1
612.26215	13.3
613.26898	7.0
614.27313	5.9
623.25110	12.2
629.29724	95.9
630.29987	5.0
631.27728	12.9
637.26636	19.7
637.40955	2.5
655.27710	31.4
655.40887	3.0
673.28741	100.0
673.42444	7.9
674.28754	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	672.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.6
53.03944	2.3
55.01870	0.7
55.05260	0.7
55.05515	6.7
57.03180	0.5
57.03442	3.8
57.07070	1.1
61.02919	0.7
65.03953	0.8
67.05510	27.1
69.03426	0.8
69.06724	0.6
69.07073	8.5
69.62648	1.4
69.63063	0.8
71.04986	1.7
73.02921	0.5
73.06562	0.6
77.03903	0.4
77.79605	0.4
79.05499	26.7
81.03423	3.1
81.07064	30.9
83.04989	5.2
83.08620	4.8
84.05350	0.4
85.02905	1.1
85.06548	1.4
91.05489	17.5
93.07051	33.0
94.07389	0.4
95.04981	5.9
95.08612	11.1
97.02909	1.1
97.06539	3.8
97.10183	1.3
98.20753	0.7
99.08092	0.7
105.04538	1.1
105.07040	12.6
107.04984	1.8
107.08602	13.4
109.06506	2.5
109.10144	2.2
111.08092	2.7
113.06002	0.7
115.05458	0.4
117.07029	4.3
119.08593	8.2
121.06532	1.1
121.09308	0.7
121.10149	6.4
123.08055	2.0
123.11755	0.6
127.03864	0.4
128.06259	0.6
129.07019	4.7
131.08583	3.6
133.10141	5.2
135.08076	1.2
135.11696	2.5
139.11320	0.4
143.08575	2.5
145.10135	3.2
145.12498	0.4
147.08075	1.2
147.11691	11.3
149.09506	0.4
149.13269	8.8
157.10211	0.5
159.11719	3.5
161.09656	1.4
161.13287	2.7
169.10194	0.6
171.11705	7.6
177.12781	1.6
189.12782	3.3
195.13789	1.9
207.13824	9.2
225.14951	0.5
239.63075	0.4
269.17499	23.6
281.17496	20.6
281.20654	0.5
323.48846	0.4
457.29489	0.5
460.27893	0.7
475.30579	100.0
476.30826	1.7
542.24860	0.4
685.33685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01858	0.5
55.05511	5.2
57.03446	4.1
57.07079	37.6
58.07403	0.3
58.52813	0.3
61.02929	14.9
67.05509	10.5
68.05823	0.5
69.03432	2.5
69.07070	8.7
69.92910	1.4
69.93253	0.3
71.04990	1.0
71.08635	31.1
73.02921	5.9
75.04488	2.1
79.05491	1.9
80.94116	0.3
81.03409	1.3
81.07060	17.0
83.04963	0.6
83.08620	12.2
85.02908	18.3
85.06528	0.8
85.10186	19.3
89.06020	1.1
91.03959	16.2
91.05481	0.6
93.07028	1.6
95.04945	0.6
95.08610	23.7
96.08944	0.5
97.02290	0.5
97.02900	8.2
97.06525	0.4
97.10173	6.6
98.20798	0.4
99.04458	1.0
99.11726	1.5
103.03935	0.4
103.07572	0.9
105.07030	1.0
107.08606	0.7
109.02890	0.6
109.10162	12.5
110.10486	0.4
111.11726	1.5
111.39838	0.3
113.13243	0.6
115.03938	1.1
117.05479	0.3
117.07014	0.5
119.08601	0.5
121.10110	0.5
123.11699	5.2
125.13276	1.2
127.03926	6.3
129.06992	0.3
131.08601	0.4
133.10147	0.3
135.11710	0.3
137.13281	2.4
139.14803	0.5
145.04967	7.0
145.10031	0.3
151.14781	0.8
159.11694	0.4
163.06021	15.0
165.16412	0.8
204.18301	0.3
221.22665	1.2
239.23703	20.9
240.24113	0.4
257.24765	4.5
270.18082	0.3
281.28421	0.3
298.27777	0.4
306.89230	0.3
313.27371	100.0
314.27719	2.2
314.76923	0.3
331.28430	52.2
332.28766	0.8
341.98819	0.4
385.62268	0.3
389.80856	0.3
443.35696	0.3
460.70535	0.3
475.32648	0.7
563.51227	0.3
582.89545	0.3
636.39966	0.7
641.25513	0.4
654.40820	0.5
672.41632	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.3
55.05265	1.8
55.05519	23.1
57.03437	5.6
59.04994	1.9
61.02919	2.5
65.03942	1.6
67.05511	28.7
69.03429	6.3
69.07072	7.8
69.90952	6.2
70.89493	1.2
71.04990	4.0
73.02923	1.8
79.05503	27.2
81.03430	16.7
81.07065	24.3
83.04991	5.2
83.08616	13.0
85.02930	5.8
85.06561	2.8
91.05482	17.4
93.07047	18.9
95.04982	16.0
95.08619	14.2
97.02914	5.2
97.06518	3.6
97.10184	24.0
99.04465	1.4
99.08089	1.5
105.07049	12.9
107.04963	18.1
107.08595	14.6
109.02884	4.0
109.06557	8.6
109.10169	12.1
109.64750	1.2
111.04453	2.0
111.08078	3.4
113.05990	1.4
115.05520	1.3
117.07049	7.1
119.08591	9.7
121.06524	15.3
121.10162	8.4
123.04491	2.5
123.08064	5.6
123.11720	2.1
125.05959	2.0
125.09645	20.5
127.03936	3.8
129.07011	5.2
131.04910	2.8
131.08595	9.2
133.06520	3.9
133.10143	6.0
135.08076	6.5
135.11696	3.9
137.06021	4.6
137.09671	2.0
138.23784	1.3
139.07602	1.5
139.11206	1.7
141.07028	2.8
143.08594	5.4
143.74384	1.5
145.06494	13.6
145.10164	6.1
147.04410	3.8
147.08093	6.6
147.11740	6.2
149.09642	3.9
153.09120	3.4
155.08563	2.1
157.06543	1.6
157.10152	6.5
159.08043	2.9
159.11716	2.7
161.05980	2.2
161.09642	3.2
163.11208	4.7
165.09163	2.2
167.07101	1.5
167.08553	1.9
169.10130	2.6
171.08142	3.0
171.10184	2.1
171.11673	3.5
173.04604	1.5
173.09621	2.5
173.11838	1.8
173.13330	3.5
175.07590	1.4
175.11162	2.5
181.10129	2.3
183.08057	1.9
185.13251	2.5
187.11183	1.8
187.14824	1.8
189.11253	8.6
189.12727	2.2
190.35933	1.2
193.12364	5.2
195.07967	1.6
195.11699	1.9
197.13272	2.2
199.11208	2.7
199.13289	1.7
203.14317	1.3
205.12160	2.1
209.11711	2.5
211.13251	2.2
213.12784	1.3
215.14426	2.2
219.13899	2.9
223.11363	1.4
225.12735	1.9
227.10759	1.1
227.12794	4.7
229.14403	3.4
230.14755	1.8
233.15416	4.2
235.13345	2.3
237.12646	2.4
243.13803	2.0
245.15439	1.6
255.13838	1.4
259.13327	2.9
267.15930	11.0
271.16919	1.3
273.14764	9.7
285.07486	1.4
320.10712	1.2
339.23187	3.0
349.21576	5.3
357.24060	2.1
367.22696	22.1
385.23782	33.1
403.24802	11.7
405.24582	1.7
441.26520	10.3
459.27448	100.0
460.27802	3.7
477.28528	78.4
478.29019	2.5
491.30234	10.7
501.28784	2.5
509.31003	5.0
528.34375	1.4
671.32727	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	671.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.01878	8.9
55.05515	21.1
55.34681	1.6
57.03434	5.0
57.07079	1.5
58.04654	1.7
60.67565	1.5
61.02939	2.1
65.03925	2.6
67.05512	29.4
69.03429	7.2
69.07056	7.2
69.35615	12.5
71.04995	4.3
73.02929	2.0
79.05492	26.0
81.03424	16.7
81.07058	24.9
83.04988	6.0
83.08625	15.3
85.02895	5.6
85.06532	3.5
91.05492	16.5
93.07047	18.6
94.06539	1.4
95.04962	16.6
95.08614	12.5
97.02908	4.1
97.06532	4.0
97.10184	24.0
99.04482	1.4
105.07048	13.4
107.04968	16.2
107.08593	15.6
109.02873	2.6
109.06519	9.4
109.10149	10.4
111.04430	2.2
111.08089	3.8
115.05496	1.3
116.95514	1.2
117.07027	8.0
119.04970	3.1
119.07836	1.5
119.08569	8.9
121.06522	14.7
121.10163	7.0
123.04492	2.4
123.08085	5.6
123.11684	2.0
125.06008	1.6
125.09650	24.6
126.08977	1.3
127.03934	3.0
128.06215	2.4
129.07016	5.7
131.04942	3.6
131.08574	8.3
133.06488	5.4
133.10130	5.8
135.08058	7.6
135.11700	5.0
137.06000	3.1
137.09607	2.6
139.07602	1.8
139.11111	1.7
139.86423	1.5
141.06993	2.4
143.08575	6.4
143.10703	1.9
145.06499	10.1
145.10175	8.4
147.04405	2.5
147.08067	6.1
147.11703	6.5
149.05978	2.4
149.09583	3.7
151.07538	2.4
153.09126	3.4
153.12817	2.0
155.08574	3.0
157.10135	4.4
159.08043	2.2
159.11726	3.3
161.05930	1.8
161.09607	3.3
163.11205	6.6
167.07071	1.6
167.10611	1.6
169.10078	2.1
171.08008	3.6
171.10304	1.7
171.11751	4.5
173.04442	1.9
173.09567	2.1
173.11803	2.4
173.13211	1.7
175.11168	3.5
181.10205	2.0
181.12254	1.5
184.01007	1.4
187.11279	3.0
189.11246	10.2
189.12721	2.7
191.14229	2.2
193.12247	5.5
199.11220	2.8
205.15793	1.8
215.14366	2.8
217.12141	2.6
219.13831	2.4
223.13269	1.6
227.12645	3.2
227.14571	2.5
229.14468	1.8
233.15315	5.0
235.13342	2.5
237.12799	1.9
241.14285	2.3
245.15477	2.1
253.12222	1.6
255.13847	4.6
267.15872	11.6
273.14801	9.1
285.17197	1.5
287.16486	1.7
293.17422	1.8
339.23251	4.1
349.21542	6.3
357.24408	4.2
367.18286	2.7
367.22653	23.5
385.23749	38.4
403.24869	16.4
405.24094	2.0
441.26089	9.5
451.26834	2.2
459.27438	100.0
460.27774	3.8
477.28497	80.7
491.30124	10.0
501.28555	2.1
567.29590	1.7
671.32532	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	2.3
69.00419	1.5
69.07088	1.8
79.05498	2.2
81.07050	4.2
91.05484	2.1
93.07032	3.5
109.10189	1.7
133.10107	1.5
145.79558	1.5
147.05240	1.5
147.97841	1.4
160.07584	1.6
161.10564	1.4
181.66013	1.6
184.07343	1.8
363.16101	2.3
365.17307	2.1
366.19421	2.2
377.17749	2.3
379.19382	9.5
381.20773	5.0
391.15060	2.1
393.20810	6.1
407.18573	8.5
408.19427	2.1
409.20279	21.7
411.21777	5.0
421.20493	3.6
422.21173	14.5
423.21796	6.0
431.18787	2.4
433.20615	2.9
435.18024	25.6
437.23621	3.5
445.20230	5.1
449.19125	12.4
450.20459	40.3
451.21231	3.9
459.21725	3.3
460.22354	4.8
461.23575	2.6
463.21185	3.5
465.22766	3.5
474.24164	3.7
476.21518	2.1
477.22650	4.8
481.22223	5.3
482.22852	3.4
495.23834	7.4
496.24072	2.9
497.25125	5.0
498.26382	8.4
501.22849	3.4
502.23462	4.3
504.22467	1.7
508.24536	4.1
509.25793	7.1
523.25085	1.7
525.24951	5.7
529.22241	3.2
530.23773	1.9
533.25372	3.8
535.26941	2.7
536.24164	11.3
537.24451	5.5
538.25494	4.4
539.26404	3.1
540.26965	7.1
545.25500	4.3
551.25989	3.0
561.24774	5.6
563.26208	6.2
564.23767	13.6
565.23981	3.0
567.26056	4.7
568.26770	11.5
579.25897	1.9
583.29022	2.3
584.26050	3.1
585.26801	6.7
589.24420	18.9
595.28888	4.2
596.26306	68.8
597.27112	13.0
599.28656	5.5
607.25537	23.6
608.26349	2.0
611.28668	16.2
627.28381	16.2
639.28149	100.0
640.28137	4.8
671.20062	2.6
671.30786	47.1
672.29926	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73277	0.2
52.79643	0.2
52.97002	0.2
56.12912	0.2
60.90682	0.2
67.05518	0.5
71.17529	0.2
71.17866	0.3
79.05503	0.4
81.03406	0.3
81.07081	0.6
90.72433	0.2
91.05482	0.2
93.07043	0.4
95.05014	0.4
109.10165	0.3
118.06609	0.3
119.08598	0.3
122.09738	0.3
131.08540	0.2
170.57707	0.2
197.10818	0.3
209.10789	0.6
211.12343	0.4
212.11414	0.2
221.10826	0.2
223.12309	0.5
224.13133	0.3
225.13934	0.3
228.06462	0.2
233.10747	0.4
235.12375	0.5
237.13939	0.6
238.14735	0.3
239.15475	0.3
247.12383	0.3
249.13872	0.6
250.14088	0.2
251.15495	0.4
259.12433	0.3
261.13852	0.4
262.13287	0.3
263.11670	0.2
264.14819	0.2
272.12433	0.2
275.15128	0.3
276.15411	0.2
287.15353	0.2
318.16296	0.3
338.15042	0.3
340.18143	0.3
342.19733	0.4
351.16443	0.2
352.17807	0.3
353.17764	0.4
362.74850	0.3
364.17303	0.4
365.17880	0.3
367.19333	1.7
377.18268	0.3
378.19012	0.4
379.19431	1.0
380.20062	0.7
381.17126	0.8
381.21182	0.6
382.21854	0.4
383.22568	0.4
391.19525	1.0
393.16461	0.3
393.21179	1.2
394.21912	0.6
395.18372	1.6
397.20398	0.3
403.19452	0.5
405.20917	0.8
407.18561	0.7
407.22952	0.6
408.19415	0.4
409.20569	1.0
410.21310	1.0
411.21985	0.7
417.16495	0.3
417.21390	0.5
418.18076	0.4
419.18500	0.4
420.19296	0.3
421.20093	0.9
421.25003	0.3
422.21185	0.9
423.17978	0.7
423.22110	0.7
424.18872	0.3
425.23679	0.9
426.24210	0.3
430.17682	0.4
431.18713	0.9
432.18958	0.3
433.20267	0.8
435.21848	0.9
436.23438	1.1
437.24155	1.7
438.20584	3.1
439.21387	1.3
444.19281	0.3
445.20148	1.6
446.21228	1.0
447.17239	0.4
447.21927	0.9
448.18942	0.3
449.19293	0.9
449.23718	0.9
450.20746	0.7
451.21701	1.1
452.22543	0.4
453.22916	7.9
454.23431	1.3
457.23993	0.3
459.22211	1.5
460.23026	1.4
461.23376	1.0
462.20615	1.2
463.21399	0.4
464.17804	0.3
465.23096	1.1
467.24710	0.6
469.25809	2.4
470.25067	0.2
473.23410	0.8
474.24719	1.7
475.20441	0.4
476.22391	1.2
477.23312	2.1
479.20270	1.1
480.25644	0.4
481.22278	0.5
482.23444	0.4
483.24109	1.4
486.20297	0.5
487.21448	0.4
489.23111	0.4
491.21320	0.4
492.21326	0.3
493.22263	0.5
494.23779	0.3
495.24030	0.6
496.24506	0.4
497.25562	4.1
498.26834	0.6
501.23135	1.3
502.24341	2.0
503.20218	1.3
505.18961	0.8
507.23956	1.4
508.25183	0.5
509.25378	0.7
510.27002	0.6
511.27023	0.7
512.27917	3.5
516.21515	0.3
519.23322	0.3
520.24860	0.8
521.22241	1.0
522.24915	0.4
523.19818	0.8
523.26740	0.8
524.24487	0.6
525.24994	2.6
529.22650	1.0
530.23157	0.7
533.25623	2.6
534.25867	0.7
535.27753	1.0
536.24158	1.1
537.25116	0.7
538.25946	1.8
539.27240	0.5
540.27313	8.0
541.27734	0.3
545.25226	3.1
546.25897	0.3
551.26959	2.5
561.25183	2.3
562.25989	0.5
563.26831	1.8
564.23291	0.4
565.25427	0.6
579.26050	1.1
580.26855	0.4
583.29083	0.4
585.27454	0.4
589.24530	5.2
590.24713	0.3
593.27734	1.2
595.26501	0.3
596.26849	0.3
607.25537	0.9
611.28656	2.8
621.27325	0.8
627.27954	1.3
639.28174	7.3
640.28632	0.3
653.29712	1.4
671.30750	100.0
672.31097	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	671.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59115	0.2
67.05512	0.8
79.05492	0.6
81.07072	0.5
84.04544	0.4
88.33356	0.3
89.17995	0.2
89.23183	0.2
90.30106	0.3
93.07057	0.3
98.20704	0.5
100.97746	0.2
105.07016	0.4
117.07030	0.2
132.08072	0.4
144.08217	0.3
197.10698	0.3
209.10872	0.2
221.10843	0.3
223.12236	0.5
224.13033	0.4
225.13896	0.3
235.12383	0.3
236.12982	0.3
237.13892	0.5
239.15326	0.2
247.12563	0.2
249.13953	0.4
250.13686	0.2
251.15604	0.5
260.13062	0.2
261.13882	0.5
262.13431	0.3
263.15515	0.3
275.15210	0.3
276.15009	0.3
290.17346	0.2
305.65045	0.3
312.15109	0.4
314.16531	0.4
318.15826	0.3
326.16687	0.4
340.17947	0.2
352.17126	0.3
353.17941	0.7
363.16467	0.3
365.18085	0.3
367.19272	1.3
377.17947	0.4
378.18643	0.5
379.19351	0.9
380.20120	1.0
381.16791	1.3
381.21350	0.5
382.21796	0.7
389.17944	0.4
390.18674	0.3
391.19586	0.4
392.19955	0.4
393.16580	0.3
393.20984	0.6
394.21826	0.7
395.18781	1.8
396.19409	0.5
397.20142	0.3
403.19547	0.4
404.20477	0.4
405.21213	0.5
406.21768	0.3
407.18549	1.0
407.23080	0.5
408.19409	0.4
409.20404	0.7
410.21191	1.1
411.21979	0.9
419.23190	0.4
420.15500	0.3
421.20157	1.4
422.21091	0.9
423.18091	0.8
423.22583	0.5
424.19006	0.3
425.23825	0.7
431.18710	0.5
432.19675	0.5
433.20319	0.7
434.21124	0.6
435.22009	0.8
436.22806	0.6
437.24252	1.3
438.20602	2.8
439.21216	1.5
445.20346	1.0
446.21439	0.6
447.22528	1.3
448.22659	0.9
449.18835	0.6
449.23782	1.0
451.21381	1.0
452.23157	0.4
453.22925	6.2
454.23526	0.9
459.21896	1.0
460.23141	1.4
461.24475	1.2
462.20660	0.8
463.21548	0.6
464.18192	0.5
465.23221	1.5
466.23581	0.3
467.24829	0.6
469.26263	1.8
473.23419	0.3
474.24445	0.9
475.25558	0.4
476.22284	1.5
477.23538	2.2
479.20038	1.4
480.25568	0.4
481.22699	0.5
483.23788	1.4
485.26239	0.3
486.59622	0.3
487.21494	0.4
488.21747	0.5
489.23105	0.5
492.21649	0.4
493.22559	0.9
495.23898	0.7
496.24460	0.3
497.25635	3.6
498.26279	0.7
501.22885	1.0
502.23178	0.8
503.20413	1.6
505.18307	0.5
506.23273	0.5
507.23825	1.4
508.24637	0.6
509.25714	0.7
510.25897	0.9
511.27188	1.0
512.27936	3.7
520.24573	0.9
521.22375	0.9
522.26416	0.7
523.19202	1.4
523.26947	1.1
524.24701	0.4
525.24945	3.2
529.22516	0.7
530.23395	0.5
533.25793	2.1
534.25812	0.6
535.27228	1.6
536.24384	1.1
537.24078	1.1
538.25861	3.0
539.26862	0.4
540.27307	7.0
541.28033	0.3
545.25470	1.6
551.26813	3.5
561.25061	1.9
563.26764	2.0
564.23328	0.5
565.24609	0.7
567.26520	0.4
579.26227	2.4
585.27319	0.4
589.24146	1.5
593.27460	1.7
607.25812	1.6
611.28729	2.8
627.28516	0.9
639.28088	7.6
671.30780	100.0
672.31348	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	2.6
69.20715	18.2
76.94618	1.8
79.05502	2.3
81.07056	2.9
95.08605	4.1
107.37653	1.7
109.10083	2.1
136.59833	2.1
157.76053	1.9
197.10695	2.2
221.10869	1.8
278.02905	1.9
318.16199	2.9
352.17996	1.8
367.19327	3.7
378.19086	2.4
381.16916	4.5
381.21143	3.1
382.18008	5.2
394.17474	2.2
395.18530	3.6
396.19382	4.2
409.20071	7.6
410.20883	7.5
411.21930	21.2
421.16138	2.2
423.21826	4.5
436.18695	2.0
437.23883	4.1
447.21667	3.1
450.21298	3.7
451.21808	2.6
465.23022	4.2
466.23926	4.0
467.20319	2.5
479.24109	2.6
480.25320	3.8
481.22403	2.7
482.22632	2.4
483.23746	3.4
496.24625	8.3
497.25687	15.2
498.26324	46.1
507.23642	4.4
508.23511	2.1
509.21439	3.2
510.22443	2.2
511.26807	2.3
524.24316	8.0
525.25165	12.2
539.26556	10.1
540.27325	30.9
567.26135	29.8
568.26569	2.0
584.26251	14.3
585.18506	3.3
585.27020	34.6
591.25470	3.1
596.25958	5.4
599.28540	25.7
609.26740	7.2
610.25183	2.5
627.28247	100.0
628.27777	2.2
671.27484	4.4
671.43958	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	669.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.1
53.19530	0.8
55.01866	3.0
55.05267	1.2
55.05512	15.6
57.03443	6.5
57.07076	1.9
59.14384	0.8
65.03945	4.2
65.64570	0.8
67.05509	55.8
68.05843	0.8
69.03425	7.7
69.07076	10.6
70.92200	1.8
71.04607	0.9
71.04998	17.5
73.06541	1.1
79.05496	55.5
81.03426	27.1
81.03910	0.9
81.07061	81.2
83.04987	17.1
83.08633	8.0
85.02913	3.9
85.06542	6.7
87.04461	1.1
91.04907	1.0
91.05485	42.7
93.07050	44.8
95.04967	12.5
95.08614	21.3
97.02889	6.0
97.06539	7.1
97.10167	3.1
99.04433	3.3
99.08100	1.5
103.05452	1.0
105.04526	1.6
105.07035	29.0
106.24483	0.7
107.04944	4.9
107.08598	17.5
109.02892	5.1
109.06532	4.4
109.10184	5.1
111.04449	2.4
111.08067	3.3
117.07018	7.9
119.07793	1.5
119.08582	17.4
120.39990	0.8
121.06496	2.5
121.10161	8.2
123.08067	3.2
123.11716	6.2
125.09681	0.9
127.03948	3.9
128.06233	1.6
129.05478	2.3
129.07008	10.7
131.08585	6.9
133.06448	1.7
133.10133	17.6
135.08067	1.2
135.11681	2.3
137.09584	0.9
143.08578	6.6
145.10098	5.6
147.08047	2.2
147.11694	21.1
149.09613	1.0
149.13264	5.7
151.11168	5.3
157.10094	1.2
159.08047	1.1
159.11739	5.8
161.09624	2.9
161.13261	7.0
163.03920	1.2
169.09851	1.0
169.12247	1.3
169.67273	0.9
171.11713	15.9
173.04486	9.3
177.12755	3.5
183.13849	1.8
187.13333	1.8
189.12758	5.8
191.14162	0.8
193.12370	1.1
195.13824	2.7
201.14795	1.5
207.11887	1.7
207.13802	19.6
213.14870	1.4
225.14874	3.8
243.15945	1.7
251.16541	1.3
257.17386	2.2
263.16562	0.8
269.17456	3.3
281.17493	30.0
301.20010	1.1
303.15909	1.6
309.16946	1.2
339.17981	2.5
351.18005	1.0
389.19379	1.0
395.20496	1.5
403.28595	1.3
413.21759	2.6
427.23096	1.1
445.24399	10.1
449.29013	48.5
450.29373	1.4
457.29715	1.6
463.30765	4.1
475.30582	100.0
476.30832	2.8
477.22427	1.1
507.33334	7.4
528.37378	1.2
571.41608	1.2
593.33722	1.0
619.34619	12.5
651.19623	1.0
651.27594	1.2
651.37469	22.5
669.39355	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	669.2925
Annotation	Swietephragmin D
Peak:m/z	Relative Intensity
55.05513	1.3
55.24340	1.0
67.05504	3.6
69.07068	1.7
69.56136	1.9
69.56541	5.0
71.08620	1.2
79.05517	2.4
81.03418	1.2
81.07059	3.5
81.23772	0.9
91.05476	1.9
93.07042	1.7
95.08600	1.9
97.06519	1.0
103.83615	0.9
105.07053	1.5
109.10142	1.5
110.71923	0.9
119.08611	1.5
133.10091	1.2
137.48775	1.0
146.06018	1.3
174.05560	2.9
182.44232	1.0
192.06561	2.8
202.04982	9.1
221.10654	1.2
222.11551	1.6
223.12146	1.0
233.92714	0.9
234.07661	10.7
234.84460	0.9
247.12582	1.0
251.11823	1.2
274.13339	2.2
286.13379	3.3
287.14276	1.5
288.15128	1.6
293.37170	1.0
300.11499	1.0
300.14978	3.0
301.15906	1.3
302.16638	5.2
314.13104	1.5
314.16516	1.1
316.14569	1.9
316.18045	2.1
328.14444	3.1
330.16034	1.4
340.14291	1.1
342.15942	1.2
344.17633	1.0
358.15671	1.4
370.15729	1.4
401.17511	1.7
402.18320	5.8
403.19196	3.4
404.19904	1.1
407.22263	1.0
415.19269	2.3
416.19952	5.2
417.20581	3.4
418.21432	3.1
429.20999	1.7
430.21664	5.6
431.22751	1.3
443.18390	2.1
445.20316	2.0
447.22598	1.3
449.19949	1.3
459.22012	2.0
460.22818	1.3
461.19855	2.0
462.19373	1.2
463.21735	1.7
473.18924	1.8
477.23093	1.3
485.54425	1.2
487.21564	2.0
488.22501	1.2
489.19189	4.3
491.19891	5.8
501.22839	4.5
503.20755	1.7
505.21951	1.9
507.20123	7.2
517.22003	2.0
520.24384	1.3
521.21924	6.8
531.23914	1.3
533.25134	1.5
535.23535	3.3
549.21454	1.7
557.38171	3.4
559.23688	6.9
561.25476	7.2
563.22711	6.4
564.23767	7.3
577.24445	2.7
578.25366	1.6
589.21912	1.2
591.25665	2.3
593.26764	1.6
605.23798	6.3
607.22186	1.2
619.25580	33.8
620.26135	4.9
622.24084	2.4
637.26587	61.9
638.26605	2.2
651.28174	100.0
652.27899	3.2
669.29395	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	669.2917
Annotation	Agrimol G
Peak:m/z	Relative Intensity
51.02312	0.7
51.84047	0.7
57.03427	0.7
57.07078	1.3
67.05508	2.2
69.07055	1.1
72.08157	4.8
79.05511	0.8
80.27145	0.9
81.07067	1.9
93.07041	1.7
93.22136	0.8
95.08633	1.4
98.20752	1.2
107.08643	0.9
109.10170	1.3
118.06541	1.0
131.08615	0.9
151.07576	0.8
156.08107	0.9
158.09708	1.0
184.22775	0.8
195.09186	1.4
196.09914	1.2
209.10730	1.5
210.11536	2.0
211.12350	1.6
212.13000	1.0
223.12401	3.3
224.13098	1.4
225.13887	8.3
226.14731	3.4
229.64807	0.9
234.11501	1.1
235.12390	0.9
236.13080	0.7
237.13956	2.4
238.14658	0.8
238.93620	0.7
239.15512	2.2
247.12422	2.4
249.13925	2.4
259.12189	1.4
260.13208	2.3
261.13876	1.5
265.13544	1.2
267.14859	4.9
275.12390	0.8
275.15405	4.5
276.16312	3.2
277.17133	0.8
293.12885	1.9
300.14816	0.8
303.14990	2.4
306.13956	1.0
408.19394	1.0
449.19983	1.1
461.19818	1.0
462.20709	1.2
463.21573	2.5
475.21756	0.9
476.22058	1.4
489.19150	1.4
491.20529	4.0
507.20273	1.0
534.22894	0.9
535.23071	1.5
549.24872	3.0
550.25500	1.2
563.23907	0.9
567.25043	1.1
577.24451	3.0
605.24542	1.3
609.26807	5.2
637.26532	33.2
669.29211	100.0
670.29584	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	667.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71227	0.5
55.05507	1.4
63.74939	0.6
67.05500	2.9
69.07081	1.1
71.53571	0.5
71.53976	0.9
79.05496	3.0
81.07063	2.7
91.05484	2.5
93.07056	3.0
95.04982	0.6
95.08611	1.0
95.23768	0.6
105.07028	1.3
107.08606	1.9
109.10149	0.9
116.55979	0.6
119.08598	1.6
121.10149	0.9
133.10130	1.7
135.11723	1.1
144.65202	0.6
145.10233	0.9
173.13345	0.7
317.20865	3.1
324.69012	0.6
373.23547	3.4
667.45477	100.0
668.46198	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	667.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.3
57.07079	0.8
58.63911	0.9
60.88026	0.8
67.05512	3.5
69.07075	2.0
70.69930	1.5
70.70255	1.3
75.80638	0.9
78.96330	0.7
79.05492	3.7
81.03413	0.8
81.07066	4.3
83.08622	1.0
91.05487	2.9
93.07051	4.5
95.08615	2.8
105.07033	2.3
107.08606	2.5
109.10168	1.3
119.08597	1.8
121.10137	1.6
133.10127	1.5
135.11720	1.7
145.10216	1.2
159.11731	1.0
196.58589	1.0
201.06221	0.8
215.91354	0.8
244.93073	0.9
269.29855	1.0
315.19296	1.2
317.20856	10.3
373.23651	3.7
401.85056	0.8
571.09589	0.9
652.23474	0.9
667.45496	100.0
668.45721	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	668.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73484	0.6
53.03942	2.3
55.01867	1.3
55.05514	5.7
57.03440	10.9
59.04992	3.6
61.02900	0.7
65.03932	1.1
67.05510	59.9
67.71985	0.7
68.62000	0.7
69.03429	1.4
69.07060	2.9
71.04992	3.7
71.08226	1.4
79.05497	7.4
81.03423	48.8
81.07053	13.6
83.04977	2.3
83.08623	13.4
83.29228	0.8
85.02902	2.7
85.06554	3.9
91.03979	1.1
91.05488	13.5
93.07034	7.1
94.10156	0.6
95.04973	14.7
95.08620	5.8
97.02899	1.8
97.06514	0.8
97.10193	1.8
99.06908	0.6
99.08092	1.0
105.07056	7.3
107.04955	3.0
107.08588	3.9
109.06532	1.9
109.10162	63.0
110.10497	0.8
111.04461	1.6
111.08087	6.3
115.05456	0.8
117.07008	1.5
119.04936	1.0
119.08594	11.3
121.06526	1.6
121.10152	3.1
123.08070	1.6
125.09621	1.4
129.07010	5.6
131.08580	4.7
131.53067	0.8
133.06500	2.3
133.10172	3.4
135.04356	0.9
137.05936	0.8
137.09636	4.8
142.07768	0.9
145.10204	1.1
147.04390	1.7
147.08075	3.1
147.11681	4.8
149.09628	2.9
155.10626	4.9
157.10130	6.7
160.50854	0.7
163.03905	2.0
163.11104	1.3
165.12752	0.8
173.11737	18.5
173.13173	1.3
175.11224	5.8
184.78226	0.7
193.12250	18.1
205.12350	0.8
211.13347	2.1
229.14360	90.2
230.14772	1.1
249.14975	1.3
267.15930	80.4
268.16150	0.8
329.21216	2.9
347.22311	0.8
403.24832	9.5
421.25876	100.0
422.26123	2.6
463.27026	2.0
520.43256	0.7
529.28259	1.2
547.29218	1.3
565.30261	1.2
603.01318	0.9
659.43030	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23717	2.8
53.03950	3.6
55.01862	3.4
55.05515	19.8
57.03421	8.4
57.07076	14.3
65.03953	4.9
67.05183	3.6
67.05515	59.4
69.07072	23.2
71.04955	3.2
71.08633	6.7
75.72011	2.7
79.05499	35.2
81.03393	3.0
81.07062	66.0
83.04986	6.4
83.08604	11.7
91.05492	24.5
93.06558	3.9
93.07056	42.4
95.04967	6.3
95.08615	46.6
97.06511	8.1
97.10155	7.0
98.21568	4.5
98.98521	3.0
99.08061	3.3
105.07052	17.4
107.08611	20.5
109.10175	14.6
111.08099	5.0
111.11710	3.1
117.07027	3.6
119.08572	9.1
120.08949	3.2
121.10169	12.4
123.11675	5.1
131.08589	9.0
133.10138	14.0
135.11671	8.8
143.08594	3.7
145.10124	4.6
147.11681	8.7
149.13239	9.6
151.11224	4.3
159.11703	7.1
161.13190	4.5
195.13821	4.5
219.08730	3.1
227.12805	4.0
263.23636	3.7
269.17459	8.9
277.21661	6.3
291.19489	8.7
298.28876	2.9
328.08142	5.4
329.08542	6.5
337.27362	39.8
341.26663	5.5
351.25214	8.3
385.14624	6.7
386.15228	4.4
393.22751	3.8
441.20984	6.8
497.26892	3.9
498.28036	5.5
531.40491	100.0
532.40582	4.4
553.33362	3.2
554.33856	10.5
569.27081	3.9
610.39642	11.5
613.48181	8.5
667.45789	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	665.3894
Annotation	Quadranoside V
Peak:m/z	Relative Intensity
52.73311	1.9
53.03937	8.1
55.01872	11.8
55.05516	24.9
57.03449	11.5
59.04992	3.9
61.02921	2.0
62.35104	1.8
64.13782	1.9
65.03928	4.2
67.05507	100.0
69.03436	21.3
69.07066	19.9
71.04983	7.0
73.02888	1.8
79.05067	3.3
79.05495	40.0
79.97635	1.8
81.03421	46.3
81.07060	53.6
83.04988	15.9
83.08624	12.7
85.02898	7.7
85.06548	3.7
91.05484	35.2
92.87726	1.8
93.07048	30.9
95.04963	11.8
95.08610	27.9
97.02905	15.1
97.06533	15.4
97.10191	9.1
98.21552	2.9
99.04456	6.9
99.08071	2.1
103.03979	1.7
105.07036	33.3
107.04990	10.6
107.08606	26.4
109.02870	12.1
109.06518	8.7
109.10162	60.4
111.04437	7.7
111.08087	5.5
117.07033	13.1
119.04956	1.8
119.08591	33.2
121.06520	4.8
121.10160	15.5
122.91937	1.8
123.04441	2.3
123.08058	6.6
123.11669	3.0
125.05943	1.9
125.09644	7.7
127.03918	15.1
129.05486	5.3
129.07005	7.9
131.08569	19.9
133.06520	2.2
133.10132	21.3
135.08044	6.7
135.11691	5.8
137.05911	2.9
137.09575	6.2
139.11212	2.8
141.06953	3.1
143.08527	8.7
145.06502	1.9
145.10101	18.7
147.08040	4.5
147.11676	16.1
149.09653	12.0
149.13213	3.8
151.07527	1.8
151.11169	3.9
154.07825	1.7
155.08559	2.8
155.10651	1.8
157.10107	6.2
159.07962	2.0
159.11684	14.0
161.09550	3.0
161.13251	5.5
163.11177	8.6
169.10135	4.4
171.10237	1.9
171.11659	5.7
173.04474	9.5
173.09546	3.5
173.11734	15.0
173.13274	5.0
175.11247	3.4
177.12788	2.4
179.14267	2.7
183.11673	4.1
185.13246	3.7
187.11145	2.8
187.14626	2.2
189.11249	6.6
189.12793	2.5
197.13327	3.5
211.14799	2.1
213.16325	2.3
227.12758	10.1
229.14343	24.8
229.19482	5.8
229.21771	2.4
239.17928	5.7
247.20401	3.9
257.19003	9.1
259.20627	3.1
275.20084	51.6
280.67227	1.7
293.21088	5.8
299.14902	3.6
312.50436	1.8
321.24396	1.8
349.23801	26.1
355.17520	5.3
373.18677	15.1
401.22903	2.6
419.24164	3.3
423.27386	2.8
475.33798	3.0
485.32596	4.3
503.33646	42.7
521.34863	3.3
611.36169	2.8
629.36725	3.8
647.37854	32.6
665.38855	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	665.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.05503	2.0
57.03436	1.6
58.35902	0.4
59.98003	0.4
61.02919	3.3
62.03600	0.3
67.05172	0.7
67.05508	7.4
69.03426	2.9
69.07065	1.5
70.22564	1.5
71.05005	0.4
73.02917	2.2
79.05487	4.0
81.03418	3.0
81.07060	5.3
81.52013	0.5
83.05003	1.2
83.08618	2.0
85.02902	2.9
85.06544	0.8
91.03974	2.1
91.05479	3.5
93.07039	4.4
93.24979	0.4
94.64300	0.4
95.04993	1.1
95.08621	2.4
97.02899	3.9
97.06527	1.3
97.10205	0.5
98.21455	0.4
99.04492	0.5
101.02374	1.2
105.07021	2.5
107.08601	2.6
109.02928	0.6
109.06551	0.5
109.10135	2.4
111.08125	0.5
115.03941	0.5
117.07037	1.4
119.08611	1.3
121.06518	0.6
121.10162	1.7
123.08084	0.5
123.11654	0.4
127.03958	1.8
131.08580	1.9
133.10147	2.0
133.44374	0.4
135.11723	1.0
142.23642	0.4
143.08546	0.6
145.10136	0.8
147.11703	0.5
149.09676	0.8
149.13301	2.1
159.11739	1.5
163.11229	0.4
173.11836	0.5
177.12711	0.7
185.13202	0.5
195.13881	1.0
195.36874	0.5
229.14406	0.7
235.13127	1.4
243.08492	1.5
269.17511	1.8
275.20169	1.6
291.15863	0.7
349.23773	1.0
373.18497	1.0
453.20950	18.4
503.34210	0.8
647.37866	1.3
665.35071	100.0
666.35040	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63104	0.1
56.27409	0.1
63.84267	0.1
67.05493	0.2
69.03423	0.2
69.07072	0.2
69.85934	0.2
69.86345	0.3
81.03411	0.3
81.07061	0.2
84.20572	0.1
85.02905	0.5
85.06550	0.1
85.25610	0.1
87.00837	0.2
93.07026	0.2
95.08608	0.2
97.02905	0.3
98.20813	0.1
105.01888	0.1
105.07021	0.2
107.04957	0.1
107.08611	0.2
109.02897	0.2
109.10135	0.1
123.04439	0.1
127.03924	0.3
129.24983	0.1
129.47949	0.1
131.08542	0.1
133.06491	0.7
135.04407	0.3
137.05968	0.4
147.04417	0.2
153.01828	0.9
157.81006	0.1
159.04346	0.2
167.07089	0.2
171.02737	0.1
177.05547	0.2
210.79350	0.1
222.04301	0.1
242.05751	9.3
270.05240	9.4
285.07584	100.0
286.07974	1.2
395.54602	0.1
417.11520	0.2
421.81265	0.1
613.68695	0.1
665.17218	0.3
665.29999	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	665.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75758	0.0
55.01852	0.1
56.08560	0.0
57.03432	0.3
58.41017	0.1
60.68521	0.1
61.02902	0.1
67.01832	0.1
68.68338	0.0
68.99783	0.1
69.03440	0.6
70.65186	0.1
70.65537	0.1
71.01320	0.1
73.02923	0.7
79.05482	0.1
81.03437	0.3
83.04947	0.1
84.14728	0.1
85.02916	0.7
87.00798	0.2
88.15401	0.1
97.02899	0.5
99.04470	0.1
103.03919	0.1
105.01833	0.1
105.07021	0.1
108.74239	0.1
109.02885	0.4
111.04422	0.1
115.03887	0.2
127.03927	0.5
129.01823	0.1
129.05466	0.1
133.06491	0.8
135.04408	0.2
145.04872	0.1
153.01828	1.1
159.02907	0.1
159.04391	0.2
171.02905	0.2
175.85315	0.1
177.05493	0.1
179.70798	0.1
181.04922	0.1
187.05983	0.1
189.03935	0.2
217.08658	0.1
223.05960	0.1
231.05045	0.1
239.07188	0.1
241.07124	0.1
242.05746	9.8
243.06224	0.2
256.76346	0.1
257.08109	0.1
270.05243	10.2
271.05798	0.1
284.06665	0.1
285.07587	100.0
286.07956	1.4
297.07541	0.1
327.08621	0.1
410.31744	0.1
447.12848	0.2
489.14130	0.1
515.12140	0.1
533.13013	1.0
579.17236	0.5
621.18134	0.1
647.16583	0.1
665.17145	2.2
666.17694	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	664.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.9
55.01864	5.5
55.05270	2.8
55.05516	45.5
57.03444	18.3
57.07087	11.5
65.03938	5.1
67.05511	100.0
67.05881	4.7
69.03407	2.1
69.07073	52.1
70.44050	1.7
70.56073	1.8
71.05000	4.3
71.08616	5.3
79.05502	61.8
80.05019	4.2
81.07062	93.0
82.16317	2.2
83.04971	8.5
83.08621	30.4
85.06541	6.5
85.10177	3.0
91.05489	47.1
93.07056	51.8
95.04958	7.8
95.08617	77.5
97.06550	12.3
97.10177	35.5
99.08091	5.3
104.23837	1.8
105.06397	3.5
105.07043	46.6
107.04964	3.5
107.08599	50.5
109.06507	4.0
109.10168	24.0
111.08083	6.0
111.72791	1.9
117.07004	16.6
118.53043	2.0
119.08585	29.5
121.10158	22.8
123.08105	3.6
123.11739	10.8
125.09649	28.7
129.07011	6.2
131.08580	18.9
133.10147	25.2
135.08080	3.4
135.11737	11.1
137.09631	2.5
137.13211	3.2
142.07793	2.6
143.08571	7.7
145.10141	19.8
147.11708	17.5
149.09630	11.2
149.13254	7.8
151.11072	2.3
155.08580	2.9
157.10165	5.2
159.11682	16.9
161.13301	9.8
163.11182	6.7
163.14757	2.6
169.10068	2.9
171.10272	3.4
171.11736	7.0
173.13301	6.6
175.14807	5.3
177.12779	2.3
179.14313	3.9
183.11728	3.5
185.13257	7.4
187.14778	2.6
189.11261	10.4
203.14264	4.4
213.16397	1.9
219.17439	4.3
227.12807	67.5
229.14363	3.5
229.19536	2.8
234.60263	2.0
239.17931	6.7
245.22681	2.8
257.19055	18.6
263.23709	6.0
269.17490	5.4
275.20120	41.4
293.21033	4.8
313.21533	2.1
313.27475	3.4
331.22635	5.5
335.25790	8.0
337.27390	89.4
349.23737	42.5
351.25110	3.2
353.27008	2.3
394.79745	1.9
407.82147	2.0
433.32950	5.9
439.20468	2.5
491.37326	2.6
507.31082	1.9
507.37015	18.6
515.40845	4.5
517.38629	3.1
529.38745	7.5
531.40106	6.4
535.40039	3.4
548.43066	3.2
552.32855	3.1
552.41986	2.1
553.40521	2.7
608.39569	3.4
611.46716	55.8
629.47589	10.4
646.50330	7.7
664.51477	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	664.515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	26.5
57.07078	17.7
57.94352	11.0
60.87612	9.5
64.70245	10.1
67.05511	71.3
69.07053	26.3
71.54060	11.9
74.69704	10.2
75.23750	9.3
79.05489	45.6
81.07069	82.8
83.08620	23.7
85.50507	12.4
86.66049	11.5
87.04459	10.9
91.05473	53.3
93.07061	61.8
95.08611	43.4
105.07012	48.8
107.08585	38.4
109.10146	31.8
117.07022	21.1
119.08617	54.6
121.10138	25.8
131.08530	28.8
133.10141	25.0
135.11685	15.5
143.08594	18.5
145.10112	34.9
155.08501	14.9
157.10187	20.3
159.11740	22.5
161.13281	14.1
173.13263	11.7
175.14836	11.5
185.13297	17.4
187.14775	16.8
197.13240	11.0
226.62173	10.7
229.14313	14.5
322.22556	12.3
335.25851	13.5
567.41840	12.2
611.46625	100.0
664.47913	22.6
678.96564	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	664.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14385	1.3
51.52699	1.1
53.03947	5.1
55.01868	3.9
55.05512	32.7
57.03445	11.6
57.07067	5.5
65.03942	4.6
67.05508	93.0
69.03422	2.7
69.07071	36.5
70.83974	1.7
70.84315	2.9
71.04977	5.0
71.08612	3.3
77.03942	1.5
78.48699	1.2
79.05499	49.4
81.03410	5.2
81.07060	100.0
83.04996	11.6
83.08633	15.8
85.06548	3.1
88.94091	1.2
91.05484	41.2
93.07050	56.9
95.04981	9.1
95.08611	59.3
96.40417	1.1
97.06520	8.5
97.10195	7.5
99.08102	3.9
105.07034	31.5
107.04949	2.4
107.08603	27.5
108.53133	1.5
109.06511	3.2
109.10152	19.5
110.77906	1.5
111.08097	4.7
113.36138	1.4
117.07014	14.5
119.08583	22.7
119.67351	1.4
121.06532	1.5
121.10143	16.3
123.08060	4.1
123.11723	5.9
125.09616	1.9
129.07008	5.4
131.08562	15.4
133.10141	21.0
135.08073	2.5
135.11699	15.2
137.09663	3.3
137.13257	2.9
139.11147	1.7
143.08565	2.8
145.10144	10.6
147.11707	10.9
149.09641	5.5
149.13266	9.7
157.10118	2.6
159.11693	7.7
161.13242	6.9
163.11211	4.1
169.10060	1.8
171.11717	2.9
173.13312	3.7
175.11284	1.3
177.12672	2.7
187.14827	2.7
189.16350	1.5
195.13824	3.9
196.59270	1.4
197.13182	1.7
199.14807	1.6
204.13792	1.3
227.12822	2.4
227.17940	1.5
229.19463	1.7
239.17877	2.7
251.16315	2.0
255.15915	11.4
257.19025	5.9
263.23746	4.0
267.15942	3.0
269.17480	13.2
275.20071	21.8
293.21082	2.1
309.20807	1.8
337.27377	66.7
349.23840	16.1
367.24857	3.6
439.35669	1.8
440.20685	1.6
458.40024	1.4
517.38867	18.5
531.40503	86.0
532.40204	2.3
571.43488	2.7
608.39148	2.4
611.46722	10.9
629.47632	6.7
646.50201	2.4
664.51093	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	663.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56262	0.3
53.03954	0.3
55.05528	0.7
57.07082	50.5
67.05521	1.5
69.17982	2.3
69.18407	1.3
70.93246	0.3
77.03620	0.7
77.04002	0.7
79.05513	0.9
81.07081	1.3
83.08656	0.4
86.20736	0.4
87.04470	0.8
91.05480	6.5
93.07027	0.6
95.05000	0.8
95.08618	0.8
98.20786	0.6
105.07051	2.3
106.83377	0.4
107.08614	0.9
109.10113	0.5
117.07031	0.5
119.08612	1.5
121.10192	0.4
131.08614	0.7
132.09383	0.8
133.10153	0.7
147.11696	6.7
152.06316	1.0
153.07030	2.8
161.13385	0.4
171.08168	0.5
175.01656	0.7
215.02716	0.6
228.09445	1.0
229.10222	0.9
233.03625	5.1
240.67590	0.4
251.04691	15.6
251.07291	0.8
285.96771	0.4
307.10989	1.6
309.06851	0.5
327.07822	100.0
328.08215	1.0
338.27631	0.4
363.16959	0.5
383.14087	67.7
384.14474	1.1
414.02267	0.4
439.20386	71.0
440.20892	1.5
495.26636	64.0
496.27103	1.1
551.32910	87.8
552.32965	2.5
556.25946	0.4
607.39130	79.6
608.39423	2.4
628.46271	0.5
663.45428	22.2
664.45258	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.6
57.03437	11.9
57.07077	23.7
58.06609	1.0
59.04996	3.3
61.02919	3.5
65.50419	0.8
67.05506	60.3
69.03432	1.6
69.07069	4.8
69.69632	4.4
71.04972	2.2
71.08638	17.2
73.02901	1.1
73.15656	0.7
78.91747	0.8
79.05485	3.2
81.06591	0.8
81.07062	14.2
83.04989	0.8
83.08621	10.3
85.02905	4.7
85.06534	2.2
85.10189	9.8
85.68430	0.9
89.06040	1.7
91.03951	1.4
91.05479	4.3
93.07032	4.0
95.08611	16.3
97.02894	3.0
97.10168	3.3
98.20830	1.6
99.27300	0.8
103.07504	1.2
105.07026	1.8
107.08593	2.2
109.10159	58.9
111.08076	2.8
119.08590	3.8
121.10136	1.4
123.11706	2.2
131.10579	0.9
137.09648	2.5
137.13249	0.9
155.10663	6.2
161.13327	0.8
170.27341	1.0
173.11743	16.4
179.14281	0.8
229.14352	100.0
230.14798	0.9
239.23813	1.7
257.24838	1.4
277.21619	1.1
313.27359	82.8
467.37344	58.4
468.37784	1.5
546.38617	2.2
664.47504	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	662.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72274	1.4
51.02383	1.7
53.03944	5.7
53.13639	1.4
54.16436	1.3
55.01861	6.6
55.05516	41.7
57.03448	11.8
57.07067	6.4
57.53458	1.4
62.37928	1.5
65.03931	4.5
65.61484	1.4
67.05507	100.0
69.03429	2.8
69.07073	44.5
71.02290	3.2
71.04979	1.6
71.08639	2.3
77.03924	2.1
79.02511	1.4
79.05495	79.9
81.03410	2.4
81.07060	86.2
81.86688	1.5
83.04980	7.3
83.08166	1.4
83.08630	25.4
85.06534	4.4
85.10145	1.4
87.04479	9.6
91.04903	2.1
91.05485	58.5
93.07047	79.3
95.04991	8.6
95.08612	58.8
95.09101	1.0
95.09235	1.6
97.06529	10.6
97.10175	30.2
99.08085	2.7
103.05485	2.0
105.04504	1.9
105.07041	48.7
107.04951	5.8
107.07870	3.1
107.08598	61.3
109.06493	7.7
109.10165	28.2
111.08102	4.5
113.09695	1.9
115.05447	2.6
117.07002	18.3
119.08591	38.6
121.06499	3.5
121.10150	34.5
123.08064	4.3
123.11700	6.7
125.09637	26.6
128.06241	1.7
129.07021	7.3
131.08577	25.6
133.10136	29.6
135.08058	5.6
135.11697	19.3
137.09563	2.1
139.11147	1.4
141.07018	1.9
143.08578	8.0
145.10123	23.6
147.07982	1.4
147.10667	1.6
147.11699	16.6
149.09615	6.3
149.13297	8.9
151.11241	3.5
155.08578	2.6
157.10130	8.3
159.11705	19.0
161.09631	3.8
161.13258	10.5
163.11157	5.1
163.14777	3.5
169.10149	4.5
171.10184	3.2
171.11681	6.2
173.13246	8.8
175.14810	3.1
177.12753	2.7
179.14369	3.4
183.11690	2.3
185.13333	9.2
187.14833	3.5
189.11252	11.5
191.14339	1.9
193.99400	1.5
197.13304	3.0
199.14832	3.9
203.14247	3.4
205.15906	3.5
215.18036	2.1
219.17284	2.2
227.12794	48.4
229.19403	2.1
239.17894	4.1
241.19455	2.9
243.21097	2.5
247.20569	1.8
257.19034	12.8
259.20575	5.2
261.22147	15.8
275.20087	44.5
277.21588	3.5
287.33008	1.4
293.21228	3.0
307.83051	1.7
316.05368	1.6
321.97836	1.4
331.22742	3.3
333.24216	6.0
335.25797	82.3
336.26300	2.0
349.23755	41.4
351.25406	12.3
431.31436	4.9
487.34006	2.0
489.35495	2.5
491.36560	1.6
505.35083	13.2
513.39124	4.1
515.36945	3.6
519.03503	1.5
527.85223	1.9
529.38953	1.7
542.34509	1.5
546.41364	5.3
609.45160	37.5
610.44775	1.6
627.46075	8.5
662.48492	3.6
663.48212	3.9
673.00220	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	662.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.01876	6.9
55.05519	23.7
57.03440	10.4
57.07079	10.4
64.69518	4.3
65.03934	7.3
67.05512	93.0
67.05873	6.0
69.07074	34.3
70.09093	11.1
75.39198	5.1
79.05501	57.7
81.07069	100.0
83.04996	9.8
83.08608	12.5
83.55731	4.2
87.04472	57.4
91.05493	56.0
93.07054	86.3
95.04948	8.3
95.08611	59.1
97.06517	11.6
105.07035	34.1
107.08610	43.2
109.10172	25.3
111.08097	6.6
117.07029	21.2
119.08618	30.7
121.06525	8.9
121.10174	19.5
123.11709	8.4
129.07043	5.2
131.08572	21.5
133.10162	27.7
135.11702	20.2
145.10117	24.6
146.32919	4.2
147.11688	19.5
149.13298	13.1
157.10161	7.3
159.11717	11.2
161.13322	7.5
163.11125	6.1
173.13280	5.5
177.12697	8.9
177.23657	5.2
187.14833	5.9
191.14197	5.2
195.13847	6.4
255.15913	16.3
257.19125	6.5
261.22275	10.4
269.17532	33.5
275.20084	29.8
277.21622	12.7
335.25842	74.4
349.23746	14.0
378.42398	5.1
515.37164	20.8
529.38934	79.8
609.45648	11.0
627.46283	7.1
639.36292	5.5
662.44708	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	662.499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.2
55.05513	29.6
57.03437	7.7
57.07065	11.4
59.96358	2.7
65.03915	4.8
67.05505	66.3
69.03426	3.7
69.07066	26.2
69.19849	31.0
71.04965	3.7
75.69854	3.0
76.74497	2.9
79.05498	57.5
81.06588	4.2
81.07060	68.4
82.31532	3.1
83.08631	14.3
86.59795	2.7
87.04475	33.8
91.05483	72.8
93.07050	62.7
95.04963	7.3
95.08609	47.9
97.06535	6.6
97.10167	6.8
105.07040	68.0
107.04942	3.7
107.08593	37.4
109.10162	17.2
117.07002	25.8
119.08581	47.7
121.10140	25.9
123.11728	6.0
125.09621	4.3
128.06226	3.8
129.07024	21.8
131.08580	43.7
133.10130	35.7
135.11719	16.1
141.06998	6.4
142.07770	6.4
143.08566	25.3
144.09389	4.9
145.10138	34.3
147.11699	24.3
149.13234	7.0
155.08534	13.9
157.10138	23.2
159.11670	23.4
161.13234	8.1
163.14775	3.5
167.08543	4.0
169.10150	19.2
171.11710	16.2
173.13277	13.9
175.14778	4.7
181.10120	8.2
183.11708	16.6
185.13258	11.0
187.14828	4.1
195.11682	9.8
197.13298	12.5
199.14821	10.1
209.13174	7.0
211.14726	5.8
212.56314	3.6
213.16335	8.0
223.14786	4.7
225.16292	4.3
227.18124	4.6
233.19244	3.6
235.14899	3.8
239.18010	5.2
257.18930	7.2
259.20578	7.2
261.22076	3.7
275.20099	5.9
313.24982	3.5
333.24133	6.3
335.25909	5.2
355.26913	3.3
447.32553	6.7
512.95892	3.5
516.66742	3.1
517.40088	14.2
535.41150	10.7
591.44324	5.8
609.45160	100.0
662.45410	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	662.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.4
55.05515	33.1
57.03447	17.2
57.07074	9.1
65.03931	5.0
67.05511	84.2
67.05861	3.0
69.07072	25.1
69.94897	15.2
71.04993	5.9
71.08622	12.8
79.05502	88.3
81.03434	5.6
81.07065	78.2
83.04987	4.8
83.08615	13.6
85.06550	5.7
87.04481	42.5
91.05487	81.1
93.07053	100.0
95.04961	9.6
95.08614	59.7
97.06549	11.4
97.10188	6.7
99.08092	12.3
99.71099	2.8
100.11269	3.5
105.06386	5.6
105.07041	64.2
107.04973	6.0
107.08604	50.7
109.06527	5.9
109.10152	27.4
111.08069	5.8
115.05431	3.9
117.07034	23.9
119.08596	52.3
121.06499	5.0
121.10160	36.6
123.08067	8.8
123.11726	5.2
128.06250	4.2
129.07011	11.3
131.08594	36.5
133.10144	40.8
135.11713	30.7
143.08568	11.6
145.10143	32.3
147.11717	28.1
149.09648	5.9
149.13257	14.2
151.11188	6.9
155.08578	4.9
157.10147	9.9
159.11737	25.4
161.13263	22.9
163.11226	3.7
163.14833	5.3
169.10132	5.5
171.11682	16.1
173.13312	15.3
175.14795	8.4
179.14326	34.2
181.10094	3.8
183.11726	7.3
185.13248	10.5
187.14835	5.7
197.13379	3.5
199.14847	5.4
209.13272	4.2
213.16478	3.7
221.15408	3.5
225.16365	3.3
227.12773	3.5
231.21069	5.0
241.19550	16.6
259.20581	35.1
275.19989	6.5
277.21616	32.5
315.23227	8.0
333.24258	59.4
335.25995	5.3
349.23819	5.8
351.25336	43.2
519.36597	7.7
564.53619	3.7
609.45227	64.1
610.44696	3.6
627.45844	6.5
662.45148	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	662.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45736	2.2
51.43628	2.0
53.03945	11.1
55.01867	7.6
55.05514	41.6
55.63625	2.1
57.03440	21.5
57.07071	3.0
59.05006	16.4
65.03941	3.6
67.05510	100.0
67.85022	2.3
69.03426	8.2
69.07077	19.5
69.84538	12.1
71.04984	11.3
71.08640	27.2
74.09721	2.4
74.81709	1.9
75.92982	2.1
79.05067	4.1
79.05499	57.5
81.03423	86.7
81.07059	80.4
83.04989	20.8
83.08163	2.9
83.08625	32.0
85.02908	4.5
85.06553	7.3
87.04459	15.5
91.05484	52.4
93.07046	55.0
94.07391	2.4
95.04987	30.3
95.08057	3.0
95.08608	31.5
97.02889	2.3
97.06549	10.5
97.10175	14.4
98.21470	3.9
99.04452	7.8
99.08107	21.6
105.04553	2.2
105.07043	39.8
107.04955	12.3
107.08608	31.1
109.06522	6.6
109.10165	54.6
111.04434	5.3
111.08089	14.8
113.05959	2.9
113.09587	2.5
115.05480	2.2
116.04690	2.4
117.07005	11.1
119.08594	33.2
121.06513	10.0
121.10143	22.1
123.08067	8.3
123.11715	5.4
125.09667	15.1
129.06996	10.0
131.08592	20.1
133.06493	4.0
133.10130	17.8
135.08044	3.5
135.11702	14.3
137.09599	6.5
139.11179	12.4
141.06966	3.2
142.07768	3.4
143.08559	5.1
145.06517	2.7
145.10112	11.3
147.08063	5.1
147.11719	15.2
149.09615	9.2
149.13251	5.9
151.11206	17.1
153.12808	2.8
154.21638	2.1
155.10695	5.7
157.10170	14.2
159.11719	4.5
161.09610	3.7
161.13263	4.9
163.11115	13.1
165.12804	8.1
171.11670	4.5
173.09625	3.4
173.11731	14.7
173.13124	3.8
175.11221	15.5
177.12785	2.8
179.14252	2.3
189.11201	3.8
193.12262	38.9
195.13873	7.1
197.15546	2.3
199.13300	5.9
211.13327	7.8
223.13240	3.6
225.14838	7.1
227.12814	6.3
229.14334	39.3
243.15982	3.5
249.14920	5.2
259.20645	2.6
267.15930	74.1
269.17471	8.2
277.21646	8.8
285.16864	3.1
293.21042	7.8
307.18488	2.2
351.25369	15.5
365.23358	7.1
421.25864	15.8
423.27283	13.5
435.27594	4.8
445.29474	7.4
447.27673	10.9
543.36993	21.6
561.37659	8.8
662.40131	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	660.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.0
55.01871	13.9
55.05511	16.8
57.03432	4.1
57.07064	2.9
67.05511	45.4
69.07082	23.6
69.18316	33.6
71.08619	13.0
78.60848	3.0
79.05496	41.4
81.03402	4.4
81.07062	50.8
81.64062	2.8
83.04990	6.8
83.08618	9.0
91.05490	50.6
92.29076	3.4
92.99152	2.8
93.07054	41.7
94.38454	2.7
95.01340	5.6
95.04973	5.6
95.08609	30.4
97.06562	19.1
97.10176	4.3
99.08081	10.8
105.07030	49.4
107.04939	14.3
107.08588	23.7
109.10164	9.1
109.61404	3.0
115.33605	3.4
116.90480	2.9
117.07015	9.9
119.08589	27.1
121.10165	21.2
131.08589	18.4
133.10150	26.5
135.11716	11.4
141.06990	3.9
145.06485	4.9
145.10139	13.6
147.11671	12.9
149.09708	5.2
149.13258	8.0
151.11151	5.1
155.08667	3.6
159.11670	5.8
161.13281	9.7
163.11281	5.0
171.11711	3.2
173.13277	5.7
179.14333	36.9
257.18964	5.3
259.20737	5.7
275.20065	49.7
277.21689	21.0
282.27933	8.4
293.20990	4.7
333.24161	4.5
349.23694	31.6
351.25281	31.2
515.08740	2.7
607.43677	4.4
625.44641	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46076	0.5
50.97616	0.5
71.20230	0.8
71.20573	0.8
88.51550	0.5
90.32047	0.5
95.00389	0.5
115.88208	0.5
122.77946	0.5
144.93442	0.5
186.67036	0.5
359.93130	0.5
374.14771	0.9
387.14835	1.5
388.15952	1.1
389.16199	0.8
392.15817	1.2
401.16116	3.9
403.17923	0.9
404.18506	1.7
405.15405	0.8
410.27115	0.6
415.13242	1.2
415.18222	5.3
416.14429	3.7
417.19672	1.0
418.16891	0.6
419.17288	1.9
425.16449	0.9
428.14767	1.0
429.15680	8.9
430.16483	3.0
431.17328	24.2
432.18088	1.1
433.19092	0.7
441.15198	0.9
442.12878	2.2
443.13080	4.0
443.17426	6.6
444.18524	8.2
445.14252	0.6
445.18896	1.6
447.16916	1.0
453.15686	1.6
454.16434	1.3
455.17386	1.5
456.14191	1.6
456.19315	0.8
457.14978	27.5
458.15356	2.9
461.18445	0.7
467.17581	1.1
468.18576	2.7
469.19507	3.9
471.16745	11.1
472.17444	17.9
473.18045	2.0
474.15204	0.9
475.20410	4.1
481.15152	1.0
482.15466	5.6
483.16913	0.9
485.14587	1.4
488.17133	2.1
489.17938	2.8
495.16678	1.9
496.17676	4.8
497.18280	22.0
498.18536	2.4
499.15781	2.8
500.17535	1.6
503.19580	4.0
504.20084	1.3
511.20300	1.0
513.17755	1.3
514.18347	2.5
515.19452	2.4
517.21332	2.6
524.16357	3.8
528.20319	2.4
529.21130	1.2
531.22089	3.0
538.20624	0.9
541.18146	1.6
555.18335	0.8
556.19592	17.1
557.20117	1.6
558.21069	4.7
559.21851	1.6
560.23303	2.7
562.21527	0.7
569.20374	3.6
570.20520	0.8
575.20953	0.8
586.20740	0.7
587.21375	2.9
590.23645	5.3
597.19983	5.9
601.23016	0.9
618.23309	28.8
619.23999	23.4
620.24487	0.7
629.22516	38.4
630.22760	2.2
661.25110	100.0
662.25281	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	660.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.5
55.01875	11.6
55.05315	2.3
55.05515	27.1
57.03442	18.5
57.07071	4.6
59.05000	17.5
64.80988	2.3
65.03938	7.0
67.05508	100.0
69.03419	5.6
69.07072	37.4
71.04996	14.0
71.53424	2.9
77.03908	2.3
79.05068	3.8
79.05502	54.8
81.03422	69.7
81.06586	4.1
81.07059	63.9
83.04971	13.6
83.08617	22.0
85.06532	3.8
87.04490	13.4
91.05487	57.6
93.07049	47.6
93.24612	2.2
95.04973	27.2
95.08614	33.5
97.06516	18.0
97.10179	12.2
99.04430	7.2
99.08169	2.3
103.45396	2.3
105.07034	31.2
107.04969	14.8
107.08604	27.4
109.06506	8.9
109.10163	46.9
111.04492	2.8
111.08098	12.3
117.07036	13.0
119.08586	31.6
121.06531	6.4
121.10152	19.8
123.04424	2.9
123.08054	6.0
123.11683	4.0
124.69879	2.1
125.09619	12.5
128.06352	2.1
129.06984	10.5
131.08578	17.4
133.06480	4.7
133.10133	18.9
135.08058	3.7
135.11713	13.5
136.31204	2.0
137.09601	9.9
142.07727	2.5
143.08562	4.2
145.10109	12.6
147.08060	4.9
147.11702	10.7
149.09612	19.6
149.13307	4.3
151.11180	4.3
155.08597	3.3
155.10623	3.8
157.10088	11.5
159.11702	9.6
159.29677	2.0
161.09578	3.2
161.13245	4.8
162.67563	2.5
163.11197	9.5
165.12762	5.4
171.11662	3.3
173.09630	3.9
173.11748	15.3
173.13101	3.5
175.11179	8.8
177.12749	2.3
179.14240	3.0
181.12292	2.9
183.11710	2.3
185.13336	4.6
187.14780	2.3
191.10696	2.5
191.14188	2.3
193.12212	21.3
195.13846	2.5
199.13306	5.2
211.13239	4.9
219.14037	2.9
225.14824	3.6
227.12820	7.6
229.14355	36.8
243.16008	2.7
249.14883	4.4
255.15991	3.6
257.19000	3.5
267.15936	64.3
269.17514	3.8
275.20081	16.9
285.16989	4.7
291.19516	4.8
349.23849	12.2
409.25876	3.6
421.25760	13.7
423.27295	8.5
445.29395	5.8
447.27521	6.1
541.35345	13.1
559.36322	3.5
562.37244	2.7
597.37402	2.4
660.34729	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	660.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	2.7
53.03934	9.0
55.01882	12.1
55.05513	33.6
57.03431	10.6
57.07059	3.2
65.03928	6.7
67.05508	65.7
69.03417	4.1
69.07069	41.2
70.10999	9.6
71.04973	3.1
71.08626	9.6
71.48338	2.1
77.64272	2.4
79.05498	66.4
80.05800	3.4
81.03420	8.2
81.07065	77.5
82.07390	4.7
83.04978	11.1
83.08636	11.1
91.05490	81.4
92.05786	3.7
93.06489	3.4
93.07051	56.7
94.07372	5.4
95.01319	7.8
95.04977	13.7
95.08618	45.5
96.08946	3.1
97.06544	24.4
97.10179	7.9
98.20858	3.7
99.08096	8.5
105.04591	3.7
105.07034	100.0
106.07351	4.0
107.04971	18.8
107.08601	28.3
108.08936	4.1
109.06514	4.8
109.10171	16.1
115.05467	4.3
117.07019	23.9
119.07809	4.4
119.08591	57.8
121.06446	4.2
121.10139	21.0
122.53842	2.5
123.04427	2.3
123.08059	5.6
123.11703	4.4
125.09590	3.5
128.06227	2.2
129.06993	7.1
131.08560	30.2
133.10146	48.4
135.08015	2.3
135.11716	21.9
136.11923	3.7
141.07021	2.7
143.08612	11.2
145.10120	22.7
147.11682	26.0
149.09595	7.3
149.13229	6.7
151.11163	4.5
157.10117	7.3
159.11705	19.2
161.13268	17.5
162.13696	2.6
163.11111	3.2
163.56712	2.3
171.11671	10.8
173.13292	6.4
175.14842	7.0
177.12746	5.6
179.14322	31.4
180.14670	9.2
185.13223	4.1
187.11159	5.5
187.14746	3.7
189.11201	2.5
195.13728	2.6
221.15224	2.5
234.42986	2.1
241.19524	12.4
257.18988	8.7
259.20581	17.5
273.18491	5.1
275.20096	56.0
276.20401	3.6
277.21567	8.8
278.22012	7.4
282.28040	2.8
291.19534	12.1
292.19888	12.9
293.20905	6.2
315.23193	10.3
333.24265	48.3
349.23804	38.8
351.25449	5.1
352.25607	3.9
365.23093	6.0
366.23596	6.8
607.43591	64.7
608.43359	2.6
625.44543	8.0
642.44568	32.9
660.47266	4.0
686.26880	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	660.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.5
52.22785	0.4
53.03936	1.1
55.01874	0.9
55.05511	5.0
57.03439	6.2
57.07074	0.6
59.05006	0.8
61.02930	7.5
67.05508	27.3
69.03424	1.6
69.07067	4.6
70.06588	0.6
71.04999	8.8
71.54047	0.7
73.02916	3.3
79.05060	0.7
79.05497	9.7
81.03442	2.2
81.07063	44.7
83.04989	3.4
83.08615	4.9
85.02913	10.3
85.06549	6.4
90.18570	0.4
91.03958	7.4
91.05493	8.8
93.07049	19.9
95.04989	2.6
95.08614	7.4
97.02901	5.4
97.06541	4.4
97.10177	0.9
99.04439	1.3
99.08112	2.2
103.03931	1.0
105.07030	3.6
107.04963	0.9
107.08606	7.1
109.02878	1.2
109.06525	1.4
109.10156	3.2
111.08087	2.8
117.07021	4.7
119.08607	1.5
121.06531	0.5
121.10164	4.0
123.08060	0.4
123.11730	6.5
127.03900	3.1
129.05476	0.6
131.08577	5.2
133.10135	11.0
135.08083	0.8
135.11690	5.0
137.05977	0.6
145.04965	2.5
147.11713	0.6
149.13268	11.3
151.11163	3.1
159.11702	25.1
161.13246	2.3
163.06039	2.9
169.12218	2.3
169.60085	0.5
173.04477	0.8
177.12753	23.2
178.13060	0.6
179.14352	4.9
183.13806	1.0
187.13295	5.6
195.13826	5.5
196.79805	0.5
201.14900	0.8
213.14827	1.2
233.15298	1.2
243.15942	27.1
251.16454	10.9
257.17438	1.5
269.17490	100.0
270.17770	1.3
278.72885	0.5
301.20114	24.5
387.19919	0.8
413.21292	2.0
418.75723	0.5
431.22711	0.7
445.24384	24.0
446.24503	0.6
463.25287	1.6
578.33276	0.5
607.29224	0.9
628.25183	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49719	0.5
53.03949	1.2
55.01867	0.9
55.05275	0.4
55.05519	7.0
55.56642	0.3
57.03451	4.4
57.07072	1.0
61.02933	2.9
65.03930	1.0
67.05511	30.7
69.03422	1.1
69.07075	10.1
69.17996	3.2
71.04694	0.3
71.05007	3.0
71.08624	0.4
72.52876	0.3
73.02908	1.1
76.07675	0.4
77.03948	0.4
79.05500	18.4
81.03425	2.2
81.07064	41.7
83.04998	3.2
83.08626	9.8
85.02903	3.0
85.06541	2.1
91.03956	1.0
91.05487	13.0
93.07052	29.5
95.04964	2.9
95.08618	13.8
95.09243	0.5
97.02899	1.7
97.06539	6.1
97.10178	1.3
98.21510	0.7
99.08092	1.3
105.07039	6.6
107.04989	0.8
107.08607	19.5
109.06562	1.6
109.10159	3.2
111.08088	3.8
113.05973	0.4
117.07021	6.9
119.08598	3.8
121.06507	1.7
121.10156	9.4
123.08109	0.4
123.11725	2.5
125.09627	0.8
127.03918	0.7
129.07010	1.8
131.08586	7.1
133.06458	0.3
133.10146	7.8
135.08086	1.5
135.11699	6.7
139.11206	0.5
143.08549	2.0
145.06494	0.3
145.10139	2.6
147.11697	1.5
149.09602	1.1
149.13272	15.2
150.13539	0.3
151.11188	1.2
155.08577	0.9
157.10173	1.0
159.11697	6.9
163.11279	0.5
165.12851	0.5
167.08655	0.4
167.14313	0.7
169.10132	1.0
170.41437	0.3
171.11739	1.1
173.13251	0.4
177.12737	2.6
181.10207	0.4
183.11647	0.6
185.13300	0.7
185.99046	0.3
187.14850	0.4
195.11983	0.7
195.13812	7.4
197.13274	0.6
202.36569	0.3
213.14848	0.9
233.15465	0.4
251.16412	2.2
269.17499	28.1
295.90015	0.3
335.23743	0.6
343.26251	0.7
353.24683	1.5
371.25858	1.6
389.26956	0.6
427.28549	1.1
435.31458	0.4
445.29529	12.4
455.17871	0.4
463.30579	100.0
464.30780	2.5
481.31671	1.1
607.34705	2.4
666.43854	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01999	2.0
53.03940	9.2
54.46918	2.1
55.01875	19.2
55.05274	2.5
55.05515	31.2
57.03441	27.1
57.07071	4.4
65.03928	8.0
67.05508	100.0
69.03427	4.3
69.06726	2.5
69.07075	26.9
71.01338	4.1
71.04993	3.7
79.05499	73.0
79.05961	3.5
81.03432	11.5
81.07061	80.9
82.07427	2.0
83.04980	19.2
83.08604	12.4
85.06544	6.1
88.79964	2.4
89.06025	5.5
91.05489	67.2
93.06484	4.2
93.07048	75.5
95.04976	44.1
95.08610	60.7
97.02920	3.6
97.06546	10.4
97.10169	8.9
99.08043	2.7
103.05495	3.5
105.04546	2.8
105.07043	48.7
107.04961	45.3
107.08605	31.8
108.05771	2.5
109.06536	22.9
109.10171	20.0
111.04428	8.7
111.08092	5.7
112.05236	5.1
113.05969	3.5
113.09682	2.0
115.05470	4.6
117.07017	23.6
119.04936	5.4
119.08595	29.2
121.06503	9.2
121.10130	22.6
122.07294	14.8
123.04404	4.7
123.08049	8.9
123.11667	4.3
125.09670	2.2
128.06213	7.6
129.06993	12.5
130.07806	2.2
131.08580	23.0
133.06505	14.9
133.10139	15.5
135.04451	2.3
135.08046	11.8
135.11717	14.1
137.05942	2.8
137.09627	5.8
141.07004	5.5
142.07840	2.4
143.08559	12.1
145.06529	10.0
145.10123	14.4
147.08061	28.3
147.09128	4.1
147.11728	10.2
149.09619	5.6
149.13246	6.9
151.07584	4.3
155.08601	2.8
157.10127	6.7
159.08101	7.0
159.11673	11.2
161.09599	16.3
161.13249	5.7
162.10437	4.7
163.07530	2.9
163.11150	6.1
165.07097	2.2
165.09149	3.3
165.46608	2.1
169.10178	2.7
171.11662	6.4
173.09637	4.4
173.13301	5.0
175.11172	3.4
175.14864	2.9
177.12717	5.6
179.14247	2.9
183.11702	2.9
185.13242	3.8
187.14865	4.6
189.12776	3.2
197.13179	3.0
201.12720	2.5
203.14374	3.1
205.15852	4.8
217.15955	5.6
229.66087	2.2
233.15385	15.7
241.80078	2.1
251.16342	2.2
261.22083	2.3
271.16986	2.7
273.18478	8.2
275.19980	2.2
289.17963	5.7
290.18723	15.5
291.19537	6.0
307.19031	7.5
325.20078	5.0
325.85452	2.1
335.18808	4.2
335.25818	100.0
381.22809	19.0
404.98001	2.2
464.92178	2.4
567.40314	8.1
583.39996	2.4
595.40015	15.0
623.42047	2.1
641.44141	46.0
659.28925	5.5
659.45966	2.6
664.58295	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	659.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.2
55.01876	13.8
55.05268	2.6
55.05517	36.3
57.03445	15.1
57.07086	3.2
59.05009	1.8
65.03943	6.0
67.05511	85.3
69.03439	4.2
69.07075	34.6
69.23370	7.2
69.23795	7.8
71.04995	6.1
71.08663	2.2
73.06576	2.0
76.29739	1.6
77.03960	1.5
79.05501	63.4
81.03419	5.3
81.07064	100.0
83.05005	8.1
83.08617	20.2
85.06546	4.5
89.06023	2.0
91.04910	2.6
91.05487	55.3
93.07055	64.9
95.04993	10.8
95.08620	60.4
97.06535	21.0
97.10192	8.3
99.08096	6.6
103.03915	1.9
103.05482	1.7
105.04560	2.2
105.07046	59.5
107.04972	6.9
107.08604	38.0
109.06510	14.3
109.10170	29.3
111.08092	6.9
115.05508	3.2
117.07034	19.7
119.08596	47.2
121.06528	5.0
121.10164	29.4
123.08072	6.1
123.11730	11.2
125.09663	7.3
128.06265	2.9
129.07042	11.3
131.08577	32.7
133.10143	34.0
133.11108	2.9
135.08084	7.0
135.11723	19.6
137.09621	5.8
139.11201	2.3
141.07014	4.3
143.08598	12.3
145.10123	33.4
147.08066	3.9
147.11719	21.6
149.09628	7.7
149.13243	11.5
151.11198	5.1
155.08589	6.1
157.10129	10.1
159.11708	23.6
161.09636	2.3
161.13286	9.0
163.11179	8.0
163.14844	3.6
165.12776	6.0
169.10089	5.5
171.10353	2.7
171.11644	10.7
173.13246	10.7
175.11203	3.6
175.14893	4.6
177.12799	3.8
179.14359	3.0
181.10133	2.9
181.12265	2.5
183.11713	6.8
185.11754	2.4
185.13306	4.3
187.14816	8.4
189.12833	2.1
195.11800	3.1
195.13806	2.6
197.13300	3.7
199.14876	6.2
201.16385	3.6
203.12721	1.7
205.15958	1.9
211.14848	2.4
217.15839	2.4
223.15013	2.7
228.15685	1.6
229.19603	4.2
239.17998	5.6
241.19373	3.8
247.20605	3.5
249.18465	2.5
257.19055	5.2
259.20624	6.2
261.22314	3.2
263.20142	2.9
273.18405	3.9
275.20099	47.2
277.21674	5.2
285.22037	2.0
289.21649	13.5
291.19684	4.7
291.23038	3.3
301.21628	2.5
307.22672	12.9
314.77429	1.8
333.24326	2.4
335.25830	71.7
349.23810	7.0
363.25330	2.7
441.33923	1.9
455.35385	2.2
457.37021	2.8
491.34814	1.8
529.38904	3.5
547.39722	7.4
561.38251	4.3
567.43860	7.1
623.42627	3.8
641.47772	19.2
659.29797	3.4
659.49164	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	659.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64146	1.8
53.03947	10.6
53.21398	1.8
55.01880	13.9
55.05512	21.9
57.03446	22.8
57.07076	3.5
65.03936	8.0
67.05508	100.0
69.03432	6.3
69.07074	20.6
69.93221	8.9
71.05000	3.8
71.08647	4.2
73.80827	2.2
77.03949	2.4
79.05501	70.5
81.03422	13.6
81.07061	71.9
83.04997	17.8
83.08618	9.5
84.57916	1.9
85.06555	4.1
89.06050	2.9
91.05482	66.3
93.07051	62.9
93.52771	1.9
95.04982	35.7
95.08613	51.9
97.02900	6.1
97.06536	9.9
97.10188	5.4
99.08120	2.6
105.04559	3.4
105.07034	48.4
105.07687	3.7
107.04962	48.0
107.08599	26.2
108.05753	2.3
109.06512	21.4
109.10166	23.5
111.04449	5.3
111.08120	5.3
112.05186	4.3
113.06062	4.0
113.38332	2.1
115.05459	5.4
117.07017	24.3
119.04969	3.8
119.08591	24.7
121.06518	13.0
121.10143	20.1
122.07321	12.8
123.04435	5.7
123.08078	6.6
123.11687	4.0
125.09632	2.4
128.06238	7.4
129.05519	2.6
129.06984	12.4
131.04936	4.3
131.08586	26.6
133.06535	19.3
133.10161	17.8
135.08052	14.4
135.11703	14.7
137.05952	4.4
137.09599	3.4
139.72676	2.1
141.06975	4.4
143.08578	14.2
145.06549	10.1
145.10106	17.9
147.08047	21.6
147.11703	8.4
147.23471	2.0
149.09627	7.8
149.13269	5.6
151.07631	3.7
155.08549	7.3
157.10149	4.6
159.08026	4.5
159.11705	6.2
161.09628	18.6
161.13275	4.7
163.11198	6.1
165.09087	2.5
169.10176	4.2
171.11740	5.4
173.13286	5.3
175.11189	4.2
177.12749	3.6
179.14273	2.6
185.13301	3.6
187.11250	3.4
187.14830	4.2
197.13251	2.2
201.12830	2.7
203.14156	3.9
205.15958	5.1
215.14362	4.0
217.15912	2.4
233.15398	12.3
243.17676	2.2
261.22110	2.9
273.18506	8.3
289.18066	4.3
290.18735	11.4
291.19510	2.9
300.38171	2.2
307.18970	5.8
325.20233	3.9
335.18973	5.0
335.25790	92.5
347.22076	3.8
351.25433	2.0
381.22626	17.9
489.36057	2.9
567.40222	6.1
595.39545	12.2
641.44189	46.9
659.28705	34.8
659.44598	9.2
660.29083	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	659.2353
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
53.03938	0.8
55.01860	1.7
55.05519	3.9
57.03439	1.5
59.04995	0.7
67.05506	8.9
69.03431	1.5
69.07083	4.3
71.04998	0.8
71.53400	0.9
79.05495	6.6
81.03429	1.1
81.07067	10.0
83.04987	1.4
83.08624	2.7
87.04484	0.9
91.05485	6.3
92.05788	1.1
93.07051	6.9
94.07399	0.8
95.04997	2.0
95.08619	4.8
97.02905	0.8
97.06544	2.4
97.10197	1.7
105.07027	5.0
107.04963	1.9
107.08603	4.5
108.08887	0.8
109.06537	1.5
109.10192	3.9
117.07030	2.5
119.08612	3.8
120.08916	0.7
121.06532	1.3
121.10177	2.9
123.08121	0.7
123.11758	0.9
125.09650	1.8
129.06979	1.5
131.08583	2.9
133.10156	3.1
135.08063	1.0
135.11751	1.3
143.08615	1.3
145.10124	1.9
147.11711	2.1
149.09592	1.6
151.11276	0.7
155.08600	1.3
157.10168	1.9
159.11684	2.1
161.09584	1.0
163.11180	0.9
169.10243	1.1
171.11719	1.0
173.09590	0.8
173.11842	0.9
183.11652	0.8
192.33131	0.8
197.54802	0.6
204.05531	0.7
229.14352	1.4
257.18921	0.9
265.05392	0.7
273.18597	1.2
275.20099	4.1
276.20496	0.8
291.03558	0.8
291.19507	3.7
292.19763	1.0
298.73151	0.8
335.25861	0.7
349.23856	2.8
351.24725	0.7
365.23480	1.7
385.13177	0.9
386.13873	0.8
399.14603	2.5
400.15393	3.6
408.12463	1.0
409.14255	1.0
410.14371	1.0
411.15878	0.8
413.16266	1.6
414.16840	2.7
421.13092	3.1
422.13800	4.2
423.14722	4.6
424.15536	2.1
425.16541	1.2
426.17203	0.9
428.17776	0.8
429.19247	1.6
435.14639	2.7
436.15369	4.4
437.16281	9.0
438.17117	2.5
441.15475	1.7
449.16275	2.4
450.17123	3.1
451.18674	3.8
452.18729	2.5
455.17377	0.9
456.18112	1.1
463.13721	1.2
464.15179	2.8
465.15399	3.8
465.19833	2.9
466.16711	0.9
467.17261	2.2
469.15338	2.7
470.16049	1.2
477.15759	2.0
478.16873	3.2
479.17508	3.5
480.18140	4.3
481.14630	1.2
483.16867	2.4
484.17041	1.6
487.34125	0.9
493.19058	8.2
494.15616	2.0
494.19965	2.2
495.16177	5.4
496.17358	1.6
497.14410	1.1
498.15466	3.0
506.16223	1.0
507.16736	2.5
508.17529	8.3
509.18417	6.1
510.14990	1.2
511.19748	2.6
512.16754	6.5
514.62842	0.8
516.23804	1.3
521.18286	12.5
522.16003	6.2
523.15125	0.9
524.17297	1.6
525.22241	1.3
526.14966	2.4
538.18475	1.4
539.19281	2.8
540.19617	2.2
543.22784	2.8
543.37000	1.4
549.17584	1.0
553.20874	17.2
561.38104	1.1
571.22400	3.0
572.22308	1.6
581.20374	49.9
582.20685	1.2
597.27350	1.4
599.21204	12.2
600.21320	2.2
613.22980	16.0
614.23572	1.0
615.28162	4.8
622.22705	4.3
623.43097	1.6
627.19910	0.8
631.23792	3.8
640.43652	1.4
641.22516	100.0
641.44226	2.6
642.22687	3.4
659.23352	25.8
659.45361	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	658.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.8
55.05517	13.4
57.03430	7.3
60.85141	1.9
61.02923	8.2
67.05512	29.2
69.03421	7.9
69.07064	9.2
69.28879	10.6
69.29294	7.3
71.04978	6.4
73.02914	4.4
73.96694	1.8
76.94156	1.8
79.05500	21.3
81.03430	11.6
81.07066	26.3
82.07390	2.4
83.04996	3.8
83.08607	9.8
85.02918	11.5
85.06528	2.5
89.15276	2.1
91.03941	6.6
91.05489	23.5
93.07048	22.8
95.04963	6.4
95.08171	1.7
95.08634	17.6
97.02903	10.1
97.06528	6.3
97.10163	6.6
99.04436	3.9
100.70782	1.9
105.07037	18.3
106.07408	2.3
107.04955	6.9
107.08601	12.9
108.08933	2.3
109.06526	3.9
109.10155	11.6
117.07063	12.0
119.08575	12.2
121.06493	3.5
121.10139	8.5
123.08053	2.9
123.11682	2.0
127.03938	4.5
129.07025	16.5
131.08563	18.1
133.06511	2.9
133.10126	9.2
135.11678	3.1
137.09654	3.4
141.06981	6.4
142.07901	2.2
143.08554	14.0
145.06517	6.1
145.10149	11.9
147.08031	4.4
147.11674	6.1
149.09677	2.9
149.13278	2.6
151.11206	2.5
153.97159	2.0
155.08562	7.7
157.06448	2.6
157.10158	6.0
159.08049	3.8
159.11693	5.3
161.09630	3.4
169.10130	8.4
171.11685	8.4
173.04478	3.8
175.11168	4.2
177.12738	2.1
181.10097	6.3
183.11667	4.9
185.13324	3.9
195.11729	5.7
197.13200	4.7
199.14856	3.8
207.11668	3.1
211.11238	2.5
211.14908	2.5
213.12813	2.5
221.13232	4.9
223.14873	2.4
235.14755	2.4
241.15977	2.6
247.16876	2.8
253.15910	2.5
333.21945	2.3
341.24973	3.7
351.23196	14.6
369.24173	14.4
387.25269	6.5
424.27808	2.7
425.27032	5.4
442.75699	2.1
443.27988	100.0
460.28204	2.6
461.29041	87.9
478.28589	3.3
512.19012	3.2
623.33722	6.3
658.24640	4.4
658.34662	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	658.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42938	1.5
50.79976	1.7
53.03946	2.1
55.01868	2.9
55.05515	19.8
57.03444	13.5
57.07080	34.3
59.05009	2.3
62.13794	1.3
65.88631	1.4
67.05508	62.1
69.03415	2.6
69.07073	23.4
71.04995	2.3
71.08634	22.8
79.05082	1.4
79.05499	19.5
79.56004	1.6
81.06588	2.8
81.07061	51.8
83.04946	2.3
83.08167	1.6
83.08624	20.5
85.06538	3.8
85.10194	16.5
86.70609	1.7
87.04453	2.3
89.06030	6.8
91.05483	19.1
93.07041	25.2
95.04964	4.3
95.08611	37.3
97.06535	5.5
97.10169	15.6
98.20725	3.1
99.08069	1.8
105.07038	15.1
107.04913	3.3
107.08603	21.0
109.06533	3.7
109.10158	51.8
111.08076	3.4
111.11713	2.1
112.88354	1.5
113.90267	1.3
116.88560	1.3
117.07027	5.6
119.07782	2.1
119.08563	17.9
121.10149	7.9
123.08076	2.7
123.11703	7.0
125.09636	10.0
129.07013	1.6
131.08539	7.3
133.08591	4.3
133.10143	9.3
135.08008	3.5
135.11717	4.3
137.09602	3.1
139.11150	1.6
143.08624	1.7
145.10124	9.0
147.08058	3.2
147.11671	6.2
149.09628	4.4
149.13246	4.6
151.11186	1.7
155.10628	2.9
157.10094	2.3
159.08083	3.9
159.11659	6.1
161.13234	2.4
163.11115	2.3
169.10175	1.5
173.11740	8.9
173.13217	2.8
174.09721	1.5
177.11227	3.2
177.12643	2.4
183.11630	2.2
189.11227	5.9
224.16472	6.0
227.12793	22.8
229.12097	3.2
229.14360	55.7
234.39955	1.5
239.17970	1.8
239.23764	2.8
257.19043	5.1
257.24866	1.9
269.17499	18.3
275.20078	25.2
289.17975	4.5
293.21075	6.8
313.27383	100.0
314.27768	1.7
335.25815	5.5
337.27292	1.7
349.23727	20.1
363.21304	1.9
367.24817	15.9
389.43588	1.5
459.27640	3.7
467.37292	37.7
507.40479	29.5
546.38525	2.8
587.46692	19.7
605.47943	13.3
623.42981	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	657.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65240	2.5
53.03943	9.7
55.01870	28.1
55.05515	52.4
57.03436	18.8
57.07076	5.3
61.46309	2.8
63.63079	2.5
65.03948	7.5
67.05509	100.0
67.16633	2.3
69.03430	8.4
69.07072	52.4
70.65021	6.1
70.65367	5.1
79.05496	87.6
79.58385	2.5
81.03423	16.5
81.07057	91.9
83.04981	16.7
83.08605	20.8
84.08109	2.9
85.06538	4.8
91.05483	79.9
93.07045	76.2
95.04974	36.1
95.08614	40.5
97.02888	7.6
97.06530	23.2
97.10159	24.6
103.05460	5.3
105.07033	66.7
107.04958	31.3
107.08595	61.3
109.06533	16.4
109.10158	34.0
111.04406	5.6
111.08101	8.8
112.26944	3.0
113.06030	6.6
113.37003	3.0
115.05450	4.0
117.07027	30.2
119.08594	44.9
119.95758	2.7
121.06483	13.9
121.10158	27.0
123.08075	12.3
123.11717	5.4
125.09646	20.9
128.06252	5.2
129.07002	13.5
130.07765	3.0
131.08566	33.1
133.06503	5.1
133.10136	45.1
135.08047	13.4
135.11687	19.2
137.09630	6.0
137.99373	2.9
141.06989	5.4
143.08585	18.4
145.06552	4.7
145.10126	30.3
145.51547	3.2
147.08072	15.1
147.11697	20.4
149.09651	21.6
149.13278	5.3
151.11185	5.7
153.09096	4.4
155.08569	7.0
157.10184	14.6
159.08148	5.8
159.11716	22.1
161.09630	8.9
161.13232	7.7
163.07544	3.4
163.11189	14.7
163.14825	3.5
169.10132	9.3
171.11729	13.2
173.11838	3.3
173.13298	11.3
175.11154	7.6
177.12782	13.1
179.14377	4.8
181.10133	6.4
183.11705	7.5
185.13289	9.4
187.11223	4.7
187.14757	3.9
189.11287	6.7
191.14406	2.9
195.11717	3.3
195.13762	3.6
199.14796	4.7
205.12157	3.2
217.14406	8.6
223.13348	9.4
227.12773	14.9
233.15430	4.9
237.16313	3.5
239.17957	3.9
245.18965	3.1
257.19064	6.9
273.18475	26.5
275.20059	58.8
277.21500	2.9
279.15979	6.3
291.19559	89.8
293.21130	4.6
331.22705	5.3
333.24301	3.3
335.25671	5.1
347.22220	7.0
349.23801	33.1
365.23169	29.9
381.22720	3.7
434.20950	3.6
461.29260	3.7
465.62817	3.3
477.35925	5.4
543.36841	4.0
559.36200	5.6
561.23669	5.5
563.24939	4.2
565.23425	4.0
579.25372	4.3
583.40045	3.1
607.24713	4.9
621.26080	6.7
621.41193	11.1
623.42334	5.1
639.27228	28.5
639.42505	71.7
657.29199	4.4
657.43494	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	658.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.9
56.05026	0.4
57.03424	0.5
57.07080	5.7
58.06604	1.7
60.26176	0.2
62.18413	0.2
65.03931	1.2
67.05508	1.4
68.05013	0.5
68.05822	0.6
69.03431	0.5
69.07059	0.5
69.82043	1.0
70.06596	16.8
71.04985	0.2
71.08635	2.3
72.08131	0.4
79.05477	1.0
81.03397	0.9
81.07070	1.6
83.08591	0.4
84.08157	0.3
85.10169	0.8
86.06027	0.2
88.07635	19.5
91.05479	0.6
93.07034	0.8
95.08591	0.7
97.02872	0.3
97.10178	0.3
98.21453	0.2
102.09184	14.1
104.02631	0.2
105.07033	0.5
107.08588	0.3
109.10124	0.6
117.07051	0.3
119.08582	0.5
121.02852	0.3
126.98440	0.2
131.04922	0.5
132.01961	0.3
133.02913	0.2
133.10066	0.3
139.03932	0.4
147.04431	0.5
147.83531	0.2
148.05171	0.3
149.02351	35.2
149.03380	1.2
150.02702	0.2
153.07056	0.3
175.03920	1.1
177.05470	1.0
191.06972	0.3
193.04973	42.4
195.13686	0.2
198.89746	0.2
212.23729	0.7
219.06548	1.3
225.05548	0.7
237.05630	0.2
237.07576	11.4
256.26361	42.8
257.26672	0.4
269.04593	1.2
269.17627	0.3
292.19019	0.5
297.04004	2.2
300.28879	0.5
313.07043	2.8
333.22723	0.3
341.06586	9.8
343.08130	0.9
348.22238	0.3
359.07642	6.6
385.09177	18.5
399.71225	0.3
401.17990	0.2
403.10114	0.3
429.11838	25.5
430.12451	0.6
640.34668	1.0
645.79126	0.2
652.84808	0.2
658.35876	100.0
659.36255	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07772	1.8
52.34234	1.9
53.03950	12.4
55.01874	19.8
55.05260	3.7
55.05513	39.6
57.03439	22.9
57.07068	3.2
61.92366	1.8
65.03941	6.6
67.05508	100.0
69.03421	6.3
69.07073	35.3
69.41781	15.3
71.04985	7.0
71.08649	3.1
71.35003	2.0
79.05499	85.6
81.03434	17.1
81.07061	85.5
83.04987	13.9
83.08642	18.4
85.06542	10.8
91.05488	84.7
93.07046	73.2
95.01328	3.4
95.04975	42.1
95.08612	50.2
97.02874	2.6
97.06538	19.2
97.10194	9.2
99.04484	1.9
99.08067	3.0
103.05457	5.0
105.04510	2.8
105.07040	76.9
107.04970	40.0
107.08598	51.1
108.05791	2.2
109.06525	33.0
109.10163	24.3
111.04460	4.7
111.08085	9.2
112.05215	2.6
113.06040	14.2
115.05454	6.2
117.07027	41.8
117.49680	1.9
119.04980	3.7
119.08589	46.1
120.05708	2.8
121.06507	16.0
121.10160	26.4
122.07297	4.1
123.04420	4.0
123.08077	11.0
123.11719	7.3
125.05996	3.8
125.09702	9.9
128.06233	7.7
129.05533	2.2
129.07019	21.1
131.04964	3.3
131.08575	46.3
133.06499	13.8
133.10143	36.8
135.08044	24.6
135.11699	20.7
137.09663	8.6
141.07019	10.0
142.07802	4.1
143.08566	20.6
144.09383	2.9
145.06503	7.6
145.10135	35.0
147.08067	15.1
147.11694	20.3
149.09598	13.4
149.13280	7.5
151.11201	5.8
155.08580	10.5
157.10130	20.3
159.08107	6.6
159.11699	28.0
161.09634	14.7
161.13304	10.5
163.07571	2.1
163.11214	11.4
165.07065	3.0
165.09207	2.9
167.08583	6.0
167.10788	2.0
169.10110	15.3
171.08006	2.7
171.10359	3.3
171.11659	14.1
173.09659	5.0
173.13263	13.3
175.11194	5.8
175.14880	5.1
177.12770	6.8
178.12125	2.0
179.08485	2.3
179.14351	3.0
181.10147	8.5
183.11687	7.7
185.09647	2.1
185.13254	8.1
187.11281	8.8
187.14850	4.6
189.11211	2.7
189.12740	2.2
189.16393	3.1
191.14319	2.4
193.10165	2.6
195.11755	6.0
195.13780	2.3
196.12494	2.6
197.13275	6.6
199.11145	3.7
199.14850	6.7
201.12819	4.9
203.14291	2.9
205.12296	3.5
205.15871	2.4
209.13335	4.8
211.14839	5.0
213.12868	3.0
213.16493	2.8
215.14342	3.6
217.15800	5.0
221.13313	2.7
223.13316	5.9
227.12732	5.4
227.17953	3.6
229.14243	3.2
233.15379	5.4
235.14777	2.9
237.16441	3.5
239.17946	3.5
241.14412	7.4
241.19524	3.9
245.19014	4.5
253.14246	3.3
257.18988	6.4
259.20679	8.8
273.18536	21.4
275.20050	36.5
279.15903	17.6
285.18185	2.1
288.15784	2.1
290.18710	2.3
291.19543	55.1
293.21265	3.7
297.17191	2.7
311.20148	2.2
333.24252	15.2
347.22394	9.6
349.23785	21.4
365.23181	17.0
381.22760	7.3
432.22650	3.6
537.24323	2.3
545.38000	2.4
565.38617	4.6
581.37982	2.6
583.40057	3.6
593.38159	2.9
597.26874	2.5
605.41632	2.7
607.25659	15.9
611.39240	4.2
621.26654	6.0
621.41217	8.2
623.43030	11.2
625.26569	9.3
639.28705	12.8
639.42468	58.7
640.43317	3.4
657.29504	5.6
657.43610	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	657.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.3
55.01880	12.2
55.05267	1.6
55.05513	21.0
57.03440	14.2
57.07072	3.8
65.03930	4.3
67.05511	54.5
69.03429	3.1
69.06730	1.6
69.07082	18.6
71.08631	3.6
71.53200	1.2
76.91259	1.4
79.05502	43.2
81.03416	6.3
81.07066	51.4
83.04992	11.7
83.08617	10.9
85.02913	1.4
85.06544	6.2
89.06050	1.8
91.05489	46.3
93.07052	40.0
95.01350	2.8
95.04981	27.8
95.08618	29.3
97.02917	1.3
97.06541	19.3
97.10159	5.9
99.08140	1.6
101.43503	1.4
103.05479	1.5
105.04504	1.7
105.07045	42.7
107.04951	16.9
107.08605	25.1
109.05799	1.7
109.06533	21.0
109.10162	11.0
111.04430	1.4
111.08074	3.9
112.05219	1.7
113.06029	9.8
113.09563	1.2
115.05437	2.9
117.07033	17.6
119.04951	3.0
119.08595	28.8
121.06494	7.8
121.10159	12.3
122.07278	2.2
123.04427	1.6
123.08097	6.3
123.11652	2.2
125.06032	1.6
125.09661	4.3
128.06236	2.5
129.07034	10.3
130.07820	1.6
131.08582	22.9
132.05646	1.6
133.06464	4.7
133.10136	22.5
135.08061	15.7
135.11714	9.2
137.09619	3.2
141.07001	5.0
142.04489	1.3
142.07773	1.6
143.08530	10.2
145.06511	4.8
145.10139	13.6
147.08069	8.0
147.11697	9.0
149.09608	6.5
149.13237	4.8
149.23402	1.3
151.11217	2.9
155.08549	4.0
157.08905	1.6
157.10139	7.9
158.10887	1.7
159.08058	2.8
159.11676	11.2
161.09639	5.6
161.13243	7.4
163.11180	5.8
165.12715	1.6
169.10182	7.0
171.11716	8.3
173.09647	2.9
173.13269	5.7
175.11195	2.9
177.09018	1.4
177.12773	4.6
179.14349	7.2
181.10147	2.2
183.11667	3.0
185.13290	3.4
187.11195	4.8
187.14830	3.5
189.11215	1.7
189.12712	2.2
195.11723	1.4
195.13815	2.1
197.13248	3.6
199.14789	2.9
203.14293	2.2
210.11536	2.1
211.12447	1.3
211.14719	2.3
215.66209	1.3
217.15926	3.5
221.13290	1.3
223.12325	2.6
224.13023	1.7
224.49803	1.2
225.13933	4.7
225.16536	1.5
227.12660	2.1
229.19450	1.8
233.15392	3.1
235.12305	2.4
237.13857	4.7
238.14632	5.0
239.15520	1.8
241.14375	1.6
241.19594	2.8
243.05188	1.3
251.15488	2.2
253.14435	3.0
253.16827	3.2
257.18988	4.1
259.20615	2.8
261.13870	2.0
273.18478	14.5
275.20084	28.2
277.21573	3.8
279.15897	3.9
289.18106	2.3
291.19571	38.9
293.21188	1.9
315.23190	1.9
331.22800	1.3
333.24252	5.7
338.27835	1.8
347.22174	4.3
349.23679	13.8
351.16049	2.6
352.18021	1.4
353.17737	1.7
354.28134	1.5
363.16269	1.8
364.17114	1.7
365.18228	3.0
365.23135	6.0
366.18954	1.9
377.17889	1.9
378.18796	1.6
379.19489	6.7
381.20547	6.2
383.22195	2.8
393.16733	2.8
393.20990	3.5
394.17172	1.8
394.21756	2.4
395.18509	3.5
406.17709	1.5
407.18628	8.7
408.19376	2.1
409.20331	20.5
410.20801	4.3
413.66190	1.5
421.20279	4.5
422.21179	14.1
423.22150	7.8
424.22440	1.7
435.18103	26.4
436.18903	3.8
441.22913	2.0
449.19534	10.2
450.20535	45.9
451.21274	7.6
455.24698	2.9
463.21182	3.6
467.20551	4.2
474.24677	1.4
477.22592	1.8
481.21820	6.5
482.22949	5.8
483.24008	2.5
495.23755	7.2
496.24792	2.1
497.25357	2.2
508.24542	5.4
509.26266	6.5
510.25165	1.5
511.27267	2.4
521.22290	1.7
524.23907	1.7
525.24994	1.9
526.26489	1.5
536.24335	14.1
537.24768	4.7
539.25861	1.3
545.38428	12.6
549.21783	1.7
554.25250	2.1
555.25940	4.3
556.27234	1.6
559.36267	2.6
564.23810	14.9
565.24274	2.7
568.26929	13.2
569.27301	4.7
571.28583	1.5
581.26147	1.6
581.37988	2.1
582.25287	1.5
582.37653	1.5
583.39362	2.2
585.30237	5.5
595.29126	2.2
596.26306	100.0
597.26984	25.6
598.27075	2.3
601.26056	2.6
607.25568	14.1
611.28082	2.3
613.30450	16.3
615.28180	20.5
621.41364	4.5
623.42657	3.6
639.27832	46.3
639.42230	26.0
640.28052	2.6
657.28912	85.4
657.43024	19.9
658.29572	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	657.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.0
53.17714	1.1
55.01876	11.7
55.05276	2.1
55.05515	26.4
57.03197	1.8
57.03444	19.9
57.07080	2.0
59.04992	5.0
65.03935	3.3
67.05510	100.0
68.85147	1.1
69.03434	26.7
69.07069	12.9
70.87187	0.9
71.01334	2.7
71.05000	14.3
71.53368	1.8
73.02923	5.6
79.05071	2.2
79.05502	29.3
81.03423	60.1
81.07063	52.6
82.38335	1.1
83.04992	16.2
83.08627	14.9
85.02909	15.1
85.06543	5.2
87.04467	4.1
87.31876	1.2
91.05486	28.0
91.94276	1.0
93.06477	1.9
93.07050	31.9
93.40347	1.2
95.04977	7.6
95.08611	20.9
97.02299	1.8
97.02902	30.5
97.06527	8.0
97.10180	10.0
99.04445	8.8
99.08099	1.4
101.02386	1.2
101.05988	1.3
105.07031	11.4
107.04972	5.7
107.08601	18.5
109.02887	9.7
109.06526	5.4
109.10163	60.7
111.04454	5.9
111.08085	7.7
113.02393	1.1
113.06029	2.2
116.04684	5.0
117.07018	7.9
119.08582	12.2
120.46735	1.0
121.06510	2.6
121.10141	10.3
123.08045	2.7
123.11688	3.6
125.09639	15.5
127.03924	15.1
127.11102	1.0
129.05489	24.2
129.07019	3.5
131.08580	8.1
133.06444	1.2
133.10146	11.2
135.08051	3.0
135.11676	8.8
137.09631	4.1
139.11139	1.7
143.07019	5.0
143.08546	2.2
143.10696	1.8
144.07895	1.6
145.10098	5.9
147.08034	1.2
147.11696	6.1
149.09612	2.8
149.13242	9.8
151.11127	1.8
153.12755	4.0
155.10655	5.3
157.08604	3.4
157.10033	2.7
159.11710	6.4
161.13283	1.4
163.11214	7.1
164.65047	1.1
165.12738	1.5
171.10207	1.5
171.11557	1.3
173.04477	37.9
173.09485	1.4
173.11763	21.0
173.13210	2.4
175.11208	1.3
177.12750	2.7
181.12250	2.8
185.11749	6.9
189.11105	2.2
191.10587	2.3
193.12279	4.1
195.13803	12.4
199.13289	3.2
207.13753	1.2
209.11772	5.8
211.13359	2.8
213.14845	3.1
217.14221	1.5
227.12892	7.1
229.14363	53.9
240.17021	1.2
257.13852	1.5
265.14066	1.5
267.15955	2.7
269.17511	22.9
275.20111	3.8
283.15466	1.2
285.09830	1.1
285.17078	1.5
291.19510	4.6
301.16547	1.8
349.23459	1.2
392.70645	1.0
400.98270	1.1
423.27512	11.0
445.20764	2.8
459.27222	1.9
460.27826	1.2
477.28275	4.6
495.29099	7.2
559.36072	2.7
594.38849	1.2
639.33948	9.6
639.42908	2.2
657.35010	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	657.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52915	1.6
53.03950	9.6
55.01872	14.4
55.05261	2.4
55.05512	29.2
57.03442	23.8
57.07078	2.2
59.04994	4.0
61.02921	3.0
61.24219	1.4
65.03931	4.7
67.05506	100.0
69.03080	2.2
69.03435	36.4
69.07072	18.4
70.06593	1.7
71.01373	1.7
71.04997	11.7
71.15678	1.4
71.54482	1.6
73.02919	6.6
77.03894	1.6
79.05497	36.5
81.03422	69.0
81.07059	63.6
83.04981	17.8
83.08621	23.0
85.02907	19.6
85.06548	6.1
86.41867	1.3
87.04471	3.4
91.05486	30.1
93.07046	36.1
95.04981	9.7
95.08614	24.0
97.02283	3.0
97.02895	36.7
97.06531	11.3
97.10167	16.5
99.04466	9.9
99.08099	3.2
102.23236	1.2
103.03934	3.2
105.04515	1.3
105.07027	15.4
107.04957	7.2
107.08595	25.3
109.02898	13.0
109.06508	6.0
109.10159	68.9
111.04469	7.0
111.08080	11.2
113.06006	2.3
115.03948	1.3
116.04712	3.9
116.07072	1.8
117.07036	9.2
119.08588	14.0
121.06487	2.8
121.10155	15.4
123.04423	1.8
123.08043	3.3
123.11697	4.3
125.09634	18.2
127.03928	21.0
129.05484	26.4
129.06979	3.1
131.08583	14.0
133.10149	12.2
135.08046	5.0
135.11713	9.9
136.92653	1.3
137.05879	1.5
137.09637	4.3
143.07033	4.4
143.08560	3.0
143.10730	2.0
145.04935	1.7
145.06477	1.9
145.10135	6.0
147.08090	2.3
147.11681	7.9
149.02345	2.6
149.09659	4.9
149.13243	13.6
151.11205	3.7
153.12697	4.8
155.10678	5.1
157.08627	3.7
157.10162	4.7
159.11699	8.3
163.11166	8.8
165.12816	2.0
173.02948	2.4
173.04459	45.8
173.09596	2.0
173.11751	24.4
175.11208	2.3
177.12784	2.9
181.12241	3.1
185.11739	6.2
185.13197	1.6
189.09068	1.4
189.11172	1.8
191.10680	3.3
193.05045	3.8
193.12302	4.5
195.12090	2.1
195.13817	13.3
199.11589	1.4
199.13336	4.6
200.14145	1.5
209.11726	12.0
211.13304	3.4
213.14857	3.4
217.14326	2.2
227.12744	10.0
229.14360	62.3
256.26407	3.8
265.14212	2.2
267.16101	3.1
269.17471	29.8
271.99344	1.4
273.18689	3.4
275.20001	4.0
283.15472	4.2
291.19473	4.0
301.16327	2.4
349.23499	1.8
353.15988	1.9
365.23196	2.1
385.08698	1.5
423.27396	14.3
427.19681	2.9
429.11795	1.7
445.20807	4.0
459.27386	4.5
477.28378	12.2
495.29587	13.1
621.32471	3.7
639.33740	16.7
639.42859	2.2
657.35852	22.2
658.36328	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54105	0.6
55.05509	1.5
57.07087	0.7
60.05632	0.8
61.08762	0.7
67.05509	3.2
69.07075	1.7
71.24442	1.5
79.05490	1.0
81.07051	2.4
83.08628	1.0
91.05476	1.0
93.07054	1.9
107.08627	0.9
109.10156	1.5
130.85722	0.7
131.08604	0.8
132.08076	0.8
179.14349	0.9
209.10712	1.2
211.12383	0.9
221.10841	0.8
223.12262	0.8
224.13182	0.7
234.11528	0.8
235.12331	1.2
237.13947	1.2
238.14618	0.8
247.12440	0.9
249.13881	1.1
259.12357	1.3
261.14001	1.1
264.25742	0.6
273.13757	2.0
274.13580	1.2
275.15469	1.6
286.13675	0.9
287.15433	0.8
288.15851	1.5
290.16473	0.8
298.13611	1.1
302.16519	1.1
302.57895	0.7
311.14352	0.8
311.25821	1.5
314.16592	1.1
318.16064	0.9
324.15002	0.9
332.17725	0.9
336.15012	0.8
337.15588	0.8
338.16476	1.1
340.18176	1.1
351.16916	0.8
352.17844	1.7
362.16190	1.1
363.16263	1.1
364.17920	1.4
365.17944	2.2
366.19333	1.0
367.19495	1.0
368.17459	0.9
374.16443	1.0
377.18112	3.5
378.18994	2.0
379.19562	4.0
380.16861	0.9
381.20996	1.7
389.17963	1.6
390.19086	1.3
391.19559	3.5
392.20117	2.3
393.16342	3.2
393.21106	2.1
394.17633	1.4
394.22198	1.4
395.18518	1.4
403.19543	1.0
404.20480	0.9
405.16443	1.1
405.20816	2.7
406.21765	2.3
407.17709	3.0
407.22516	2.9
408.19434	2.6
409.20224	6.2
416.17514	0.9
417.17212	0.9
418.17987	1.3
419.18317	1.8
419.23105	1.2
421.19574	4.8
421.24887	1.5
422.21039	4.2
423.21857	15.1
424.22363	1.0
431.18747	1.3
432.18784	0.9
434.21262	1.3
435.22195	7.2
436.22729	4.0
437.23712	3.9
438.23010	1.0
440.23080	1.0
442.21286	1.0
446.21054	2.1
447.22385	1.2
449.24338	3.9
450.24600	1.9
451.21060	5.0
452.22305	1.3
453.23126	0.7
454.20044	4.0
456.22946	1.5
461.23553	6.5
462.20883	2.2
463.21231	3.4
464.21936	2.2
465.23251	3.9
466.23328	1.3
467.24716	4.1
468.25037	2.6
469.25858	0.9
476.22211	1.8
477.23218	4.1
478.23706	2.5
479.24249	4.5
480.23077	1.5
481.22418	2.6
482.23117	0.9
483.23688	0.7
490.19925	0.8
491.20505	1.2
493.21548	6.9
494.27191	5.3
495.23648	13.8
496.24576	3.8
505.22641	1.3
507.24030	2.2
508.24814	12.8
509.25742	11.4
510.26385	11.2
511.27319	12.0
516.25110	1.6
519.23932	2.0
521.25684	6.5
522.25922	2.4
523.23242	4.6
525.28473	2.5
526.29388	1.0
536.25403	0.7
537.25085	16.1
538.25867	6.5
539.26477	1.1
545.38525	2.6
549.25269	1.2
551.23029	1.9
553.28503	7.3
555.26288	2.5
565.24396	3.7
566.25348	1.1
570.28656	4.1
581.27649	18.2
582.26404	1.1
583.25403	4.2
595.29419	1.1
596.27570	1.1
597.27100	41.2
598.27795	5.9
607.25354	1.5
613.30243	71.9
614.30402	2.7
625.26581	100.0
626.26703	3.0
657.29102	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	656.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.7
55.01875	4.3
55.05514	21.4
57.03189	1.8
57.03434	10.8
57.04726	1.7
57.07081	38.0
58.92979	1.7
59.02538	1.5
65.03941	2.9
65.46579	1.7
67.05509	71.0
68.05843	6.1
69.07073	44.3
71.04994	14.7
71.08636	26.4
71.18940	3.7
73.02934	2.7
75.51969	1.6
79.05498	50.7
80.05850	4.8
81.03415	10.5
81.07062	65.6
82.07387	5.6
83.04989	10.2
83.08624	18.2
84.05286	1.9
85.06554	3.5
85.10189	9.7
90.30185	1.7
91.05487	45.6
92.05811	3.9
93.07047	40.5
94.07386	6.0
95.04979	15.5
95.08147	1.3
95.08614	45.9
96.08956	4.4
97.06539	52.4
97.10172	6.3
99.08103	3.7
100.52975	1.5
103.05432	2.2
105.04549	1.7
105.07034	25.9
106.07397	3.1
107.04969	5.2
107.08604	18.9
109.06526	8.3
109.10173	16.0
111.08105	4.1
111.11708	2.8
113.00028	5.2
114.65459	1.8
115.07566	21.9
117.07034	11.9
119.08588	17.5
120.08895	2.4
121.06499	3.7
121.10180	8.4
123.08092	6.2
123.11729	5.5
125.09659	1.8
129.07053	9.1
131.08615	10.8
133.06560	2.7
133.10143	11.2
135.08054	5.2
135.11693	4.9
137.09683	2.3
137.13252	2.2
143.08594	5.5
145.10156	6.1
146.10513	1.9
147.08054	2.8
147.11673	9.4
148.12018	3.2
149.09587	3.3
149.13274	3.6
157.10089	3.7
159.11700	7.6
161.09584	2.6
161.13271	2.8
163.11125	3.0
169.02655	4.0
171.11740	5.1
172.12056	2.8
173.13335	2.4
175.14783	2.6
177.12782	4.1
189.12782	2.9
203.14305	3.3
207.13872	7.4
208.14095	3.1
217.15874	3.6
239.23813	2.5
245.19011	4.5
253.14322	5.3
269.17523	4.9
273.18497	23.1
291.19556	13.0
313.27371	52.1
326.68875	1.9
347.22141	5.3
365.23251	6.5
507.40509	31.4
535.40723	3.1
543.40173	4.8
544.40851	100.0
545.41199	5.7
603.46405	12.7
621.47180	3.4
629.32288	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	655.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.01864	1.4
55.05511	9.9
57.03425	1.4
57.07066	2.3
63.01720	0.5
63.02290	0.5
65.03946	1.6
67.05507	35.3
69.06729	0.8
69.07072	8.9
69.21295	3.7
69.21711	0.7
71.05010	0.8
71.08631	1.5
77.03931	0.6
79.05492	27.4
81.03418	2.8
81.07059	35.1
83.04976	4.0
83.08614	5.1
85.06547	1.1
85.10155	0.7
91.05482	20.9
93.07048	22.4
95.04967	5.6
95.08609	19.7
97.06534	2.1
97.10166	3.0
105.04544	0.7
105.07037	14.4
107.04942	1.9
107.08593	8.5
107.65567	0.5
109.06516	1.5
109.10155	7.4
111.08077	1.2
113.00022	7.3
117.07018	2.1
119.08582	11.2
121.10151	3.2
123.08076	2.2
123.11739	2.3
129.07013	4.5
131.08578	1.2
133.06493	0.8
133.10135	5.4
135.11690	2.4
137.09654	0.6
137.13280	0.9
143.08572	2.1
145.10139	2.8
147.08040	0.8
147.11697	10.5
149.13290	1.1
150.70119	0.6
153.12872	0.5
159.11790	0.9
161.09648	1.1
161.13290	4.4
163.11197	0.5
163.14847	0.6
169.02640	4.5
169.21249	0.5
171.11684	7.0
171.12981	0.7
174.20015	0.6
179.78001	0.6
189.12675	2.5
194.81201	0.5
207.13795	9.8
225.14999	1.4
263.23666	1.7
281.17520	3.2
311.29691	0.7
313.27393	0.7
337.27435	1.1
375.15561	0.7
543.40485	100.0
543.92560	0.6
544.40833	2.2
580.03790	0.6
620.46057	0.9
655.27203	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01866	2.3
55.05273	1.6
55.05515	19.1
56.05850	0.8
57.03425	2.5
61.02915	3.1
67.05509	22.3
69.03433	3.9
69.07072	6.2
69.59083	3.8
69.59489	1.4
71.04990	1.8
73.02921	0.9
79.05067	1.3
79.05499	18.5
81.03428	4.5
81.07068	15.8
83.04969	3.6
83.08157	1.0
83.08631	13.1
85.02926	4.5
85.06555	1.9
85.68202	0.8
87.04430	0.7
89.91891	1.0
91.03957	1.6
91.05488	16.4
93.06484	0.9
93.07054	13.8
95.04958	3.6
95.08616	5.6
96.05230	0.8
97.02872	2.0
97.06528	1.7
97.09539	1.4
97.10178	25.5
103.05468	9.0
105.03368	1.8
105.07030	14.0
107.04955	2.5
107.08614	11.3
109.02886	1.1
109.06470	2.0
109.10193	5.2
111.08072	2.1
115.05479	4.4
117.07029	28.9
117.38940	0.7
119.04918	0.9
119.08582	8.9
121.06509	2.7
121.10155	3.9
123.08037	1.7
125.09635	23.9
127.03896	1.0
128.06203	2.9
129.07011	11.7
131.04909	1.2
131.08582	19.3
131.09555	1.8
133.06493	5.9
133.10136	3.2
135.08095	5.4
135.11748	0.8
137.09596	1.4
141.07011	4.1
143.04904	1.2
143.08597	6.5
145.06482	6.4
145.10133	6.9
147.08052	2.7
147.11603	1.4
149.09619	4.0
153.09100	3.3
154.07727	1.2
155.08560	7.3
157.06512	3.0
157.10114	3.5
159.08102	3.8
159.11699	2.1
161.05989	1.1
161.09662	0.9
165.09108	0.9
167.08592	2.3
168.09328	1.4
169.10133	5.5
171.08083	3.1
171.10210	1.6
171.11555	4.4
173.09659	2.4
173.13287	2.0
179.08597	1.0
181.10107	1.6
182.10803	1.1
183.08047	1.1
183.11691	1.3
185.13266	1.9
187.14871	5.6
189.11226	9.7
193.10107	1.4
195.11676	2.8
197.09663	1.0
197.13242	8.4
199.11201	1.0
205.10201	1.0
209.13307	2.1
211.14879	2.1
213.12721	2.3
215.14328	28.4
223.11174	1.3
225.12714	1.3
227.12747	15.6
233.15445	1.2
237.12698	1.1
241.12212	1.7
245.13737	2.0
257.15356	1.0
269.15280	1.2
271.16968	2.1
339.23224	1.5
349.21765	5.4
367.22668	11.8
385.23712	6.4
403.24841	2.9
441.20206	1.7
441.26389	49.8
459.27441	100.0
460.27643	2.0
462.29535	1.3
477.28525	11.8
632.96906	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.01889	1.6
55.05517	9.7
57.03430	2.0
57.07079	1.5
61.04124	0.9
65.03937	2.8
67.05509	38.7
69.07065	9.9
71.08614	1.0
79.05499	26.7
81.03393	3.1
81.07064	35.4
83.04999	5.3
83.08617	4.6
85.06564	2.0
91.04971	2.0
91.05490	22.7
93.07053	23.6
95.04974	5.8
95.08614	24.1
97.06516	3.1
97.10173	2.5
104.63598	1.0
105.07046	16.2
107.04958	2.1
107.08595	7.0
109.06511	1.7
109.10173	5.0
113.00035	7.0
117.07018	2.5
119.08565	10.6
121.06535	1.8
121.10137	3.3
123.08070	2.5
123.11716	2.2
129.07007	4.9
131.08580	1.8
133.10168	5.1
135.11745	2.5
143.08569	3.0
145.10135	3.5
147.11705	11.9
149.13263	1.2
161.13235	5.1
169.02632	3.5
171.11691	8.3
188.23595	1.1
189.12733	3.9
207.13826	8.9
229.29393	1.5
263.23694	1.8
281.17474	4.0
287.85773	1.1
337.27280	2.0
505.24432	1.3
543.40546	100.0
544.40344	2.1
655.30231	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	655.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.01860	1.8
55.05315	0.7
55.05515	7.6
57.03443	6.2
57.07081	37.6
58.32694	0.7
61.02932	9.4
67.05186	1.2
67.05511	17.4
67.06682	0.6
69.03409	2.0
69.07072	10.3
71.01344	0.6
71.08636	31.7
73.02925	3.7
75.04473	1.7
79.05144	0.6
79.05504	7.6
81.03397	2.6
81.07064	23.7
83.04978	2.0
83.08620	13.8
85.02917	10.7
85.06534	1.1
85.10185	17.8
89.06010	1.4
91.03960	9.4
91.05482	7.0
93.07039	5.5
95.04951	2.6
95.08613	25.2
97.02893	5.6
97.06538	2.9
97.10185	7.0
99.11714	1.2
105.07037	4.5
107.04948	2.7
107.08627	3.7
109.06496	1.5
109.10168	13.4
111.08083	0.8
111.11726	1.9
113.00084	0.6
115.05452	0.7
117.07028	2.7
119.08595	3.5
121.10175	1.6
123.11716	5.6
125.09637	0.8
127.03926	3.0
129.07005	1.8
131.08548	3.0
133.10118	2.7
135.08037	1.2
135.11700	1.5
137.09583	0.6
137.13246	2.2
143.08583	1.3
145.04956	4.1
145.06494	1.0
145.10112	2.8
147.08080	1.4
147.11653	1.5
149.09633	1.3
149.13252	1.2
151.14828	0.6
157.10060	0.8
159.08006	0.7
159.11679	1.5
163.06013	6.3
163.11191	1.4
169.10078	0.9
171.11702	1.5
173.13200	0.8
179.14319	0.9
185.13338	0.7
221.22675	1.5
227.12711	0.8
239.23712	24.2
248.17998	0.7
257.18872	0.8
257.24713	3.8
271.17059	0.8
273.18527	2.4
275.20123	4.3
277.21878	0.9
289.17993	0.9
291.19556	1.3
298.27512	0.7
313.27383	100.0
314.27792	0.8
330.91870	0.7
331.28424	18.8
347.22406	0.9
365.22998	0.7
457.31061	1.0
475.32773	2.5
543.36902	6.8
564.55859	0.7
577.24280	1.5
607.79419	0.7
615.88342	0.7
637.26385	1.4
637.40436	1.8
655.27313	3.6
655.41791	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	655.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	11.0
55.01868	8.4
55.05511	24.5
56.13855	2.0
57.03437	10.0
65.03946	4.9
67.05508	75.4
69.03442	19.0
69.07070	15.5
69.07406	2.1
70.68816	6.5
71.04999	39.1
73.02914	2.1
79.05493	39.5
81.03423	96.5
81.07062	100.0
83.04988	20.5
83.08630	27.7
85.02906	29.3
85.06554	6.0
91.05485	63.7
93.07050	41.0
95.04968	31.0
95.08619	20.5
97.02883	22.0
97.06551	11.2
97.10162	9.8
99.04462	5.5
101.02386	2.3
101.84294	2.7
103.05482	2.8
105.07035	39.3
107.04969	13.2
107.08604	27.0
109.02882	17.7
109.06519	9.6
109.10164	14.8
111.04457	13.2
111.08086	10.2
113.06004	2.6
115.05477	3.6
117.07043	9.8
119.04964	3.5
119.08593	25.8
121.06516	7.6
121.10153	13.5
123.04423	4.4
123.05630	2.1
123.08069	3.8
123.11736	12.2
125.09632	8.0
127.03912	10.4
129.05504	5.7
129.07004	10.1
131.05009	2.2
131.08585	18.3
133.06534	7.3
133.10147	30.6
135.08029	7.0
135.11684	6.6
143.08562	4.9
145.06494	4.2
145.10153	9.8
147.04420	3.6
147.08037	6.2
147.11694	22.3
149.09616	8.3
149.13275	9.4
151.11198	8.5
155.08562	3.0
157.06427	3.3
157.10095	14.0
159.11717	7.8
161.09702	3.5
161.13228	2.7
163.11234	5.9
164.51387	2.2
165.12810	5.9
169.10208	2.7
171.06505	3.1
171.11673	3.8
173.04477	11.6
175.11206	9.3
177.12793	4.8
183.11795	2.5
183.13823	3.4
183.39627	2.2
187.13289	7.1
193.12289	24.3
195.13930	4.8
201.14925	4.2
205.12317	2.1
207.13812	2.8
211.13272	33.5
211.15033	3.6
219.04668	2.4
219.54510	2.2
225.14830	3.4
227.12804	2.8
235.13295	5.0
249.15010	3.9
257.17419	2.5
259.13138	2.5
267.15964	20.1
269.17374	5.5
273.14841	3.9
275.20227	3.3
285.17007	9.1
299.18594	2.4
301.14304	5.3
301.19901	4.1
319.15561	3.3
336.66245	2.4
339.17911	4.3
343.22873	2.4
375.17999	4.1
377.19650	3.5
393.18710	2.7
411.20319	2.7
413.21783	3.1
417.26074	5.2
435.27545	17.4
443.28012	5.6
445.24332	2.7
451.30457	2.8
453.28445	9.4
461.29028	29.8
467.30075	10.8
477.29086	4.0
479.29773	6.2
511.32632	14.1
519.29254	3.2
543.29657	4.6
545.31055	2.7
559.32831	2.9
561.31189	3.0
569.31329	3.1
587.31891	4.0
589.33783	2.7
601.33356	2.6
605.32635	7.4
621.00238	2.6
623.34308	17.7
637.35419	8.6
655.36877	42.2
661.62402	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72563	0.2
51.75296	0.2
55.05505	0.4
59.83614	0.2
67.05505	0.9
69.07064	0.3
69.26440	0.9
69.26864	0.7
75.04506	0.3
79.05496	0.9
81.03423	0.2
81.07091	1.0
81.07463	0.2
91.05478	0.7
93.07049	0.7
95.04973	0.4
95.08598	0.4
105.07034	0.5
107.04970	0.2
107.08614	0.2
109.10139	0.4
113.06136	0.2
119.08590	0.5
121.10097	0.2
123.11697	0.2
131.08621	0.4
133.10162	0.2
135.11693	0.2
138.04060	0.2
145.10135	0.2
172.04213	0.2
273.18738	0.2
275.19968	0.3
291.19687	0.4
342.12219	0.2
376.16959	0.3
377.17859	0.6
390.18707	0.5
391.19415	1.0
392.20065	0.5
393.20715	0.6
405.16226	1.6
405.20956	1.1
406.17328	0.3
406.21893	0.6
407.22479	4.2
408.23322	0.4
418.17807	0.5
419.18222	3.1
419.23593	0.3
420.18823	1.4
420.24133	0.4
421.19855	1.4
431.18961	0.4
432.19046	0.2
433.20599	4.8
434.21100	5.1
435.21854	8.1
436.22623	0.7
446.21292	0.3
447.17889	1.6
447.22226	1.6
448.18842	1.1
448.23352	0.7
449.19113	1.9
451.21219	0.3
459.22034	0.2
460.22769	0.5
461.19638	1.6
461.24301	0.8
462.20337	4.6
463.21243	4.9
464.21939	0.6
465.22983	0.3
474.20102	0.3
475.21338	1.8
476.22168	1.0
477.22974	1.3
478.24042	0.5
479.20975	1.0
489.22952	1.1
491.24402	0.3
493.21832	0.6
493.26050	0.7
494.23236	0.6
495.23712	0.9
505.22787	0.3
506.23035	0.6
507.20459	1.0
507.24060	0.9
508.24661	2.2
509.25427	1.8
521.25647	12.2
522.26117	0.6
534.22632	0.2
535.26819	0.7
540.27209	0.4
547.27173	0.4
549.25012	17.4
550.25305	0.8
553.24109	1.1
561.45807	0.2
563.26654	3.1
564.27393	0.7
565.27515	0.2
567.26733	0.3
577.24493	0.7
581.27771	3.3
595.29266	10.7
596.29938	0.6
605.23645	0.3
607.28937	0.3
609.27063	11.5
610.27118	0.4
613.26825	0.3
623.29034	1.1
627.31378	0.3
637.40674	0.4
655.31262	100.0
656.31573	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	655.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56178	1.5
55.05495	2.8
62.65884	1.6
67.05489	6.9
69.07055	2.5
71.53788	2.5
79.05485	4.7
81.03447	1.8
81.07062	6.1
83.08589	2.1
84.31145	1.8
91.05470	4.2
93.07037	4.8
95.08588	3.8
97.92064	1.5
105.07024	2.9
107.08572	2.5
109.10128	2.6
117.07095	2.2
121.10192	2.7
124.07536	3.5
129.06938	2.5
131.08527	2.8
137.05933	2.0
143.08571	1.8
145.10117	2.3
147.65762	1.6
155.53636	1.7
177.72784	1.7
198.11298	1.8
211.12344	1.7
227.11789	3.9
267.04669	1.7
281.12680	2.4
282.13666	1.7
286.13223	1.9
301.15698	2.1
314.16751	2.0
316.17761	3.0
355.98297	1.8
384.17130	3.7
398.18475	3.3
403.18970	2.7
417.20947	3.7
418.21216	3.4
419.22275	3.0
420.23047	2.4
431.18362	3.5
432.23141	2.3
433.23749	4.9
434.24222	2.8
444.19376	3.9
445.19714	4.3
458.20639	2.3
459.21707	45.9
460.22375	7.7
461.22995	4.8
473.23093	5.5
475.21240	2.5
487.24600	4.0
491.24655	2.6
503.23785	1.9
505.26633	2.5
519.23993	10.4
531.24005	3.5
541.40967	2.1
543.36774	2.2
545.25513	19.6
546.26294	6.2
547.27026	32.2
548.24457	2.4
549.24725	4.6
563.26392	8.9
564.27002	4.1
565.24493	8.1
574.25641	2.9
577.28076	2.6
580.26489	3.3
581.26849	2.2
591.25861	9.8
593.23602	2.6
595.29144	16.7
605.18781	3.0
605.27643	32.8
606.28369	100.0
607.27692	3.3
608.26453	2.2
623.28473	29.5
637.30243	59.2
637.40070	2.1
640.28351	3.2
655.31372	34.3
655.41876	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	655.2767
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
51.65735	0.5
53.03940	0.8
53.49931	0.5
54.68182	0.5
55.01876	1.0
55.05507	1.6
57.03437	1.3
57.07077	0.5
67.05521	3.9
69.03435	0.7
69.07059	1.5
71.04995	0.5
71.53156	0.4
79.05495	4.2
81.03419	0.7
81.07063	4.2
83.04998	1.0
83.08604	1.0
85.06500	0.6
91.05486	3.8
93.07064	2.8
95.04985	1.4
95.08606	2.7
97.06522	1.1
105.07032	2.9
107.04965	2.0
107.08604	2.1
109.06561	1.4
109.10163	1.1
111.08150	0.7
117.07031	1.4
119.04986	0.6
119.08582	1.2
120.04499	0.6
121.10205	0.9
129.07018	0.6
131.08607	1.7
133.06538	0.8
133.10149	1.2
143.08578	1.0
145.10147	1.0
147.11700	0.7
159.11743	0.6
163.11186	0.5
169.10185	0.5
171.11537	0.6
180.10152	0.6
183.09094	0.8
187.11128	0.5
188.03445	0.7
208.10040	0.6
209.10646	0.7
221.10858	0.8
223.12263	0.8
227.11835	0.9
244.23131	0.6
272.12070	0.5
273.18521	0.8
274.13400	0.6
275.20120	1.2
286.13385	0.6
288.14978	1.0
289.18079	0.8
291.19559	0.9
298.13477	0.7
300.15021	1.0
302.16653	1.4
326.12900	0.8
328.14474	1.0
330.16025	0.7
342.16055	1.0
354.12402	0.8
354.16370	0.9
370.15686	0.9
377.17749	0.8
382.15619	0.6
383.12671	1.8
387.16333	0.5
389.17914	1.0
398.15268	1.5
399.16138	0.6
401.17526	0.8
401.29321	0.6
402.18384	1.5
403.19440	1.9
404.20236	1.2
405.21158	1.0
415.19293	1.7
416.19855	1.7
417.21048	3.4
418.21774	1.2
419.18378	1.0
419.23007	1.2
421.20325	0.7
429.21384	0.8
430.21631	1.9
431.17734	0.8
431.22507	2.1
433.16733	1.8
435.21967	0.7
443.18222	1.0
444.19406	0.7
445.20261	1.5
447.18268	1.9
447.23190	0.8
448.19284	1.0
449.19891	1.0
458.17221	1.6
459.22098	1.7
461.15350	0.8
461.20450	0.8
462.20697	1.4
463.21268	1.6
473.24243	0.9
474.20554	1.0
475.17102	1.2
477.18890	0.8
477.23798	0.8
487.21368	1.6
488.21924	1.2
489.18890	4.1
490.20050	1.1
491.20117	5.9
493.18411	1.1
499.21121	0.9
501.23083	4.9
503.20496	1.0
504.21671	0.7
505.21994	1.2
507.19882	0.6
517.22601	2.1
519.24219	1.1
521.21021	0.6
531.23218	1.6
533.25873	2.4
535.23529	3.3
536.24493	0.8
537.24915	2.8
545.22125	1.0
548.21057	0.6
549.23004	1.2
559.23419	8.1
560.23669	0.7
561.25073	8.3
563.22919	7.7
564.23694	6.9
577.24561	9.8
578.25049	1.0
579.26208	1.2
587.22516	1.3
591.26086	1.3
593.27972	2.8
605.23914	12.5
608.22687	0.9
619.25537	26.8
623.25104	1.5
637.26611	100.0
638.27148	1.4
655.28131	5.8
655.42255	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	655.2764
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
53.01217	0.8
55.01860	1.2
55.05503	3.0
57.03437	1.5
67.05514	8.8
69.07055	3.0
69.31936	0.8
79.05488	5.9
81.03431	2.4
81.07061	7.1
81.24133	0.9
83.04979	1.7
83.08610	1.6
85.06543	1.2
91.05490	7.5
93.07064	5.5
95.04961	4.3
95.08607	5.7
97.06542	1.4
97.10146	1.3
98.21529	1.5
105.07016	4.6
107.04951	1.7
107.08597	4.2
109.06516	3.1
109.10164	2.8
113.05999	1.9
117.07034	2.7
119.08593	4.1
120.08064	1.1
121.06509	2.0
121.10155	2.4
129.07048	1.7
131.08571	3.0
133.06436	0.9
133.10141	3.4
135.08090	2.4
143.08557	1.7
145.10143	3.1
147.11722	1.4
149.09547	1.0
157.10152	1.6
159.08058	1.2
159.11697	1.0
161.09625	0.9
163.11227	1.5
170.27307	0.8
177.12656	1.0
179.14209	1.0
273.18597	4.0
275.20053	1.9
279.81427	0.9
291.19492	5.6
300.15048	1.1
328.14069	1.0
347.22290	1.9
390.18350	1.1
391.19308	2.5
392.20078	2.3
405.16895	2.5
405.21405	1.4
407.22629	4.0
417.16937	1.1
418.17496	1.0
419.18286	4.4
420.19238	2.0
421.20172	1.4
433.20612	9.5
434.21274	4.8
435.22131	5.3
447.17917	3.1
447.23065	1.3
449.19644	2.4
461.19217	1.1
462.20486	2.4
463.21579	4.5
465.18576	1.4
475.21249	2.7
477.19449	1.5
479.20392	1.3
491.20862	2.4
493.22775	1.4
503.20963	1.4
505.22586	1.3
507.20316	1.1
521.25787	8.4
535.22906	1.4
543.37091	5.3
548.24329	1.1
549.25153	12.2
559.23456	2.9
561.24591	1.5
563.22754	2.0
565.24561	1.9
577.24561	10.4
580.26685	1.8
581.27551	2.7
595.25677	5.2
605.24017	9.7
609.27521	3.1
619.25421	1.7
623.25049	1.5
637.26514	34.6
637.40143	2.6
638.26764	2.1
655.27618	100.0
656.27808	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	655.2761
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
55.05503	0.6
67.05518	0.8
70.78284	0.7
70.78624	0.9
73.67542	0.4
79.05495	0.6
81.07077	1.1
83.04987	1.8
84.78241	0.4
88.64873	0.5
89.28855	0.5
93.07060	0.5
107.08542	0.6
119.08602	0.6
125.05193	0.5
136.75081	0.5
175.01656	0.8
181.02583	0.8
209.10733	1.0
210.11560	0.6
211.12160	0.5
221.10791	0.6
223.12323	1.6
224.13058	0.8
225.13913	1.2
234.11736	0.6
235.12366	1.3
237.13925	1.6
238.14778	0.7
239.15451	0.7
247.12341	0.6
251.15469	1.5
253.16959	0.8
261.13943	1.4
263.15625	0.7
275.15561	0.7
277.17050	0.7
287.34540	0.6
293.16852	0.5
299.44983	0.5
304.15503	0.8
313.12085	0.6
352.17755	0.6
365.18182	0.6
366.19266	0.9
367.19266	0.6
377.18100	1.1
378.18762	1.0
379.19376	0.9
389.18320	0.8
390.18500	0.6
391.19806	0.6
403.19455	1.6
404.20071	1.4
405.21204	1.0
406.18076	0.8
407.18600	1.0
417.21167	2.4
418.21585	1.8
419.23065	1.2
421.20160	1.2
431.23068	0.9
432.23480	0.9
433.16251	0.9
433.24460	3.6
434.17429	1.5
435.22192	1.4
436.22479	0.9
437.23795	0.7
443.18744	0.6
445.20279	1.5
447.17493	0.9
448.19006	1.7
449.18872	3.3
459.21786	1.1
460.22577	0.6
461.19562	1.3
462.20520	1.5
463.21558	10.4
472.18311	0.7
473.24219	0.7
475.21313	0.9
476.22220	1.6
477.18204	6.3
479.24493	2.2
486.20651	1.2
487.21280	1.4
490.23346	0.8
491.20511	2.2
491.24924	2.2
492.24948	1.8
493.18417	0.8
496.24506	0.6
497.25574	0.8
500.21851	0.6
501.22943	7.0
502.23798	0.9
504.21518	0.9
505.26398	0.8
506.19818	0.7
506.26489	1.4
507.19952	0.7
508.24152	0.5
509.25644	0.8
518.23022	0.6
519.24316	1.2
521.18304	0.9
523.26959	1.1
525.24829	0.9
533.25543	7.4
534.25714	1.1
535.23175	5.0
536.24170	2.1
547.23230	0.8
549.22064	0.7
550.25995	3.8
551.26727	4.5
553.24402	1.5
557.27588	0.7
561.25092	1.6
563.23163	0.8
565.28149	37.2
566.28210	1.8
567.26398	1.2
575.26563	0.8
577.24536	1.1
578.25189	1.6
579.26251	4.9
581.23718	0.7
583.29120	5.3
585.27460	2.8
593.27509	5.1
594.24524	1.5
595.25391	5.2
599.24933	0.9
609.27136	14.2
610.27002	1.0
611.28802	3.3
613.26605	8.4
623.25238	7.1
637.26691	4.7
655.27655	100.0
656.28027	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	655.2764
Annotation	Karajinone A
Peak:m/z	Relative Intensity
54.42236	0.3
54.80279	0.3
55.05509	0.9
57.07061	0.6
63.43636	0.4
67.05502	1.4
69.07068	0.9
70.18407	0.8
70.18787	0.8
79.05486	1.3
81.07053	1.6
83.04970	2.0
83.08620	0.4
91.05474	1.2
93.07040	1.4
95.04938	0.5
95.08616	0.9
95.49749	0.3
105.07019	1.0
107.08613	0.8
108.08070	0.4
109.10161	0.6
119.08569	0.5
121.10173	0.6
129.07022	0.7
131.08540	0.9
132.08109	0.7
133.10127	0.6
141.07043	0.4
143.08560	0.4
144.08052	0.5
145.07564	0.4
145.10127	0.7
146.06093	0.4
147.11678	0.7
157.07631	0.4
159.11758	0.4
167.35959	0.3
171.09143	0.6
171.11780	0.4
175.01584	1.1
181.02640	1.4
195.09143	0.6
197.10762	0.6
199.08682	0.6
207.09215	0.5
209.10774	1.1
210.11501	0.8
211.12372	0.7
221.10768	1.1
222.11493	1.0
223.12292	2.9
224.13086	1.9
225.13875	2.4
227.04689	0.6
234.11435	0.5
235.12257	2.1
236.13034	2.4
237.13829	5.1
238.14639	3.8
239.15485	1.6
246.11443	0.8
247.12329	1.2
248.13202	0.6
249.10196	0.8
249.13963	2.3
250.14651	0.7
251.11855	1.0
251.15450	5.6
252.16252	1.8
253.17030	3.0
261.13950	6.6
261.16519	0.7
262.14914	1.8
263.11688	0.8
264.12674	0.4
265.13388	1.1
267.14911	0.8
275.15350	0.8
275.19876	0.8
276.15256	0.5
277.16943	0.4
279.14883	3.2
280.15741	0.8
289.16705	0.5
313.12158	0.7
314.16666	0.5
315.17365	0.5
324.15140	0.4
325.15900	0.4
330.19849	0.6
336.15100	0.4
337.15320	0.5
338.16254	0.9
339.16629	0.5
340.18256	0.9
342.19644	1.0
350.16507	0.8
351.16470	1.3
352.17661	1.4
353.17902	1.5
354.19122	0.5
355.19162	0.4
363.16290	0.9
364.17688	1.3
365.17865	1.1
366.18970	1.6
367.19763	2.0
368.20578	1.1
375.16150	0.5
376.17419	0.6
377.14468	0.4
377.17801	3.6
378.18735	1.4
379.15219	0.7
379.19998	1.9
380.16345	1.2
380.20798	0.8
381.20856	1.6
383.22513	0.8
389.17865	0.6
391.15005	0.8
391.19766	2.3
392.20151	1.4
393.16940	1.1
393.21497	1.9
394.18192	1.0
395.18552	3.6
396.19397	1.0
397.20499	0.6
400.20410	0.7
401.21198	0.6
402.21689	0.5
403.19324	0.6
405.16800	2.5
405.21799	0.5
406.17941	1.0
407.18521	2.6
407.23508	0.5
409.15829	0.5
409.20563	2.3
410.21164	0.8
411.21677	1.1
412.19412	0.7
419.18539	1.5
420.19724	1.6
421.20438	2.5
422.21866	2.1
423.18100	1.3
424.19183	0.7
425.19617	1.0
426.21671	0.6
427.21603	1.0
433.15979	0.6
435.17972	3.1
437.19833	1.8
438.21063	1.9
439.21490	2.1
440.22610	1.0
441.23019	0.8
442.24213	0.7
447.22058	0.5
448.18845	2.1
449.19669	4.0
450.21289	2.2
451.22177	0.6
452.23099	0.5
453.23325	1.8
454.23773	1.2
455.20535	0.6
459.16934	0.5
462.20840	0.8
463.21533	1.1
465.18729	5.7
466.20300	1.2
467.20929	1.3
469.26367	2.7
470.22968	0.7
475.21625	0.6
476.18390	2.6
477.19000	1.8
479.25156	3.4
480.21588	2.3
481.22604	1.9
482.23187	2.7
483.20239	1.1
483.24469	0.6
493.22040	2.1
496.24942	0.6
497.25659	7.5
498.23984	0.6
499.23758	0.4
501.22867	0.6
507.24298	5.0
508.20352	3.1
509.21057	1.7
510.22839	3.4
511.19351	0.6
512.25592	1.1
514.25732	4.6
520.21362	1.1
521.22095	0.9
524.24377	0.9
525.25104	9.4
526.21869	0.4
527.23175	0.5
529.28101	6.2
535.23560	3.5
536.23273	0.9
538.22302	1.3
539.26324	0.7
541.28326	0.6
542.25482	2.5
543.19092	0.6
543.37311	1.4
551.25775	0.5
552.23822	1.5
553.24579	4.2
557.27698	3.4
563.22754	2.2
565.28107	2.3
567.26105	5.4
568.24878	0.8
569.27380	1.6
570.25006	1.9
579.26300	1.0
581.23993	4.6
583.28967	0.6
585.27118	16.6
595.25525	89.8
596.25781	2.0
599.25110	2.2
609.26825	0.6
613.26593	100.0
614.26483	1.8
623.25067	1.6
627.27893	1.1
637.26935	0.4
637.40936	0.5
655.27509	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	655.1869
Annotation	Syringetin 3-robinobioside
Peak:m/z	Relative Intensity
53.03935	0.4
55.01861	0.3
55.05505	0.5
57.03436	1.7
61.02925	1.0
67.05489	0.2
68.99796	0.3
69.03420	1.4
69.07056	0.5
69.27093	1.6
70.06575	0.3
71.04994	10.6
73.02904	0.6
75.04465	0.4
75.07249	0.2
79.05478	0.5
81.03405	0.7
81.07035	0.7
83.04986	0.7
83.08654	0.2
85.02906	15.1
86.03232	0.4
87.00822	0.6
87.04435	0.3
91.03950	0.3
91.05439	0.2
93.07022	0.7
95.01368	0.2
95.08583	0.8
97.02901	1.5
99.00744	0.2
99.04453	0.5
99.08091	0.3
104.02610	0.2
105.01873	1.0
105.07027	0.3
107.04974	0.3
107.08595	0.8
109.02883	0.9
111.00784	0.3
111.04416	0.6
121.02845	0.4
121.10163	1.6
122.10486	0.7
127.03934	1.6
129.05487	3.1
133.02896	0.2
135.11638	0.3
137.02325	0.5
139.03908	2.1
145.04961	0.7
147.06516	1.1
150.03140	0.5
153.01849	4.1
153.05464	3.5
154.06268	0.4
163.03914	0.3
165.01852	1.6
167.07074	1.1
168.07375	0.3
175.07449	0.3
177.16400	2.6
178.16724	1.7
179.96121	0.2
181.04898	1.0
183.02972	0.5
195.17455	0.5
196.17757	0.4
201.05560	0.3
207.06511	0.7
213.05495	0.5
216.04179	0.2
219.10162	0.3
229.04942	0.6
230.05722	0.4
231.04643	0.3
231.06650	0.5
241.04788	0.5
243.02876	0.4
244.03676	0.8
249.06207	0.4
255.03067	0.3
257.04459	0.7
258.05240	4.5
259.05997	1.5
269.04385	1.3
272.03143	0.4
283.02380	0.4
284.03259	0.3
285.03793	1.0
286.04779	3.3
287.05496	6.4
289.03345	0.8
291.08588	1.8
295.20978	0.2
297.03894	0.3
301.03531	0.3
302.04315	0.3
303.04987	1.9
313.03500	0.5
314.04309	1.2
315.04984	2.8
317.03052	0.4
318.07321	0.4
331.04456	4.5
331.08368	0.3
332.05255	1.9
342.14191	0.3
347.07611	100.0
348.08008	1.2
451.16818	0.3
466.21106	0.2
509.12808	0.7
683.97729	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	653.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84675	0.3
55.05497	1.3
57.07083	0.7
58.06354	0.4
58.06608	5.5
62.75383	0.3
67.05491	1.2
69.03414	0.4
69.07076	2.0
69.57962	2.1
70.06237	0.3
70.06590	0.7
72.08160	3.0
73.06572	1.7
74.52543	0.3
79.95787	0.3
81.07044	1.2
83.04988	2.0
83.08620	0.3
86.09711	28.3
91.05479	0.7
93.07037	0.5
95.08597	0.4
97.10157	0.4
98.09662	0.7
98.20742	0.5
100.11263	100.0
101.06043	2.4
104.99762	0.3
105.07037	0.5
107.08624	0.5
109.10187	0.5
112.07607	0.3
119.08539	0.7
128.10785	0.5
135.93709	0.3
146.11803	2.5
154.12265	0.7
154.15912	4.1
157.09578	0.3
168.13852	1.4
172.13420	1.6
186.14963	1.5
196.13326	0.4
196.80434	0.3
200.16383	1.6
214.14461	1.2
225.16025	0.4
228.15974	6.2
285.21753	4.2
309.21683	0.5
313.21375	0.5
313.24841	7.0
327.22910	0.7
341.24387	11.7
426.33173	0.6
454.32709	2.3
472.33932	5.6
498.35535	1.0
526.34906	0.7
540.36292	0.4
571.05005	0.4
625.45374	29.6
626.45160	0.5
653.29926	0.6
653.44934	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	653.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38827	0.6
53.03953	3.2
55.01892	1.0
55.05515	10.1
57.03461	1.5
57.07083	1.2
65.03969	2.2
67.05508	30.8
69.03468	0.7
69.07069	7.2
69.81498	2.9
71.05025	1.6
71.08654	0.9
77.03991	0.7
79.05499	38.2
81.03413	3.0
81.07063	24.0
82.07438	0.6
83.04993	5.6
83.08641	2.9
85.02931	0.6
85.06580	1.2
91.05484	24.6
93.07048	34.8
95.04980	7.2
95.08613	17.7
96.09025	0.6
97.02940	0.7
97.06564	1.4
97.10207	2.0
99.08144	0.6
100.30076	0.6
102.83968	0.5
105.04574	1.4
105.07038	18.2
107.05009	2.1
107.08601	12.6
109.06605	1.9
109.10173	4.7
111.08150	1.1
113.00012	6.8
115.05537	1.0
117.07020	4.4
118.48103	0.6
119.08595	10.5
119.09351	0.8
121.06557	1.3
121.10159	7.4
123.08142	2.3
123.11738	0.7
128.06268	0.8
129.07019	5.1
131.08586	4.5
133.10133	4.9
135.08104	1.0
135.11702	4.1
137.09694	0.6
143.08569	3.3
145.10100	4.3
147.11703	10.4
147.12756	0.7
149.13376	1.8
159.11745	1.7
161.09744	1.6
161.13248	3.7
163.14905	0.6
169.02596	3.7
171.11731	7.8
185.13353	0.8
189.12730	3.4
195.09218	0.8
207.13799	10.6
209.10580	0.5
224.13321	0.8
225.14923	2.0
243.21117	0.7
247.12291	0.6
256.31421	0.6
261.22202	1.4
263.85504	0.6
281.17435	3.8
317.24710	0.6
331.44058	0.6
335.25928	1.0
386.19305	0.7
403.20016	0.7
404.19821	1.7
405.20862	3.9
418.21484	1.3
419.22537	2.2
420.23526	0.8
421.20251	0.8
431.22476	0.9
433.23959	1.5
434.24698	1.3
435.18155	0.9
447.21561	1.5
449.19864	2.2
450.20355	1.2
463.21353	2.6
464.22186	1.4
477.22934	1.3
478.23975	1.2
479.24585	9.8
487.21295	1.8
492.25568	0.7
501.22998	1.3
503.20816	0.6
507.27545	5.6
518.23566	0.7
519.23907	1.8
521.21881	0.8
522.26147	0.7
524.40259	5.4
532.24835	0.6
533.25592	2.0
537.25031	3.3
541.38959	100.0
542.39069	1.9
550.26105	0.8
551.26624	10.4
552.27307	0.8
560.24310	2.2
561.24982	2.7
565.28198	4.7
566.28912	22.4
567.29163	0.7
575.26379	7.1
578.25513	0.8
588.23560	1.6
593.27515	7.5
603.26147	2.0
621.27332	4.8
625.29980	0.7
635.28766	13.7
653.29645	56.8
654.29956	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	653.3531
Annotation	Withanoside III
Peak:m/z	Relative Intensity
53.03949	7.2
55.01866	3.6
55.05515	18.3
57.03438	13.0
59.04993	2.4
61.02930	2.3
65.03966	1.8
67.05512	52.4
68.05846	2.7
69.03436	8.9
69.07075	10.7
69.46587	9.9
71.01353	1.2
71.04987	7.6
73.06560	2.3
79.05502	51.7
81.03425	65.7
81.07065	48.6
83.04986	16.6
83.08624	17.3
85.02904	8.6
85.06559	3.3
91.05492	49.8
93.07055	45.5
95.04977	27.0
95.08615	23.4
97.02894	7.6
97.06527	5.2
97.10184	5.4
98.21509	1.5
99.04484	1.2
103.05446	2.4
105.04551	1.3
105.07041	34.4
107.04951	6.5
107.08605	15.1
109.02880	4.7
109.06525	6.6
109.10173	11.3
110.10503	2.6
111.04460	2.8
111.08064	6.5
115.05437	2.2
117.07040	10.7
119.04935	1.7
119.08598	23.8
121.06534	5.0
121.10198	8.7
123.04470	1.6
123.08070	5.8
123.11716	4.7
125.09646	1.5
127.03942	5.2
127.07513	1.7
128.06288	1.7
129.05499	1.7
129.07007	13.2
131.08617	9.6
132.51921	1.2
133.06494	3.7
133.10126	11.7
135.08127	2.1
135.11700	4.6
137.09671	2.3
142.07823	1.6
143.08524	5.9
145.10155	8.7
145.11151	1.5
147.04419	1.5
147.08070	3.6
147.11705	24.6
149.09627	4.3
151.07484	1.3
151.11142	2.1
153.12781	2.0
157.10147	6.6
159.11665	2.3
161.09706	2.9
161.13283	7.0
163.11186	5.3
165.12816	2.5
169.10095	1.6
171.11710	14.7
175.11267	7.9
181.12283	1.7
185.69281	1.5
187.13246	2.1
189.11223	1.4
189.12708	6.8
191.10648	1.3
193.12263	19.0
207.13802	16.4
211.13322	15.5
225.14879	2.6
227.12831	3.9
229.14391	2.9
249.14931	4.7
267.15948	35.3
267.18625	2.7
273.86545	1.3
281.17508	59.7
285.16888	6.3
301.14493	1.8
305.17502	1.9
309.17511	1.3
324.97946	1.4
355.17740	2.2
384.25412	1.4
398.26114	5.4
411.20251	1.4
423.27661	1.7
424.27631	2.9
429.21167	8.4
455.29590	2.6
456.30618	7.2
468.87863	1.3
473.29019	100.0
474.29486	2.0
491.30267	10.6
515.29614	2.2
581.31049	2.1
596.18115	1.4
635.34375	19.5
653.35004	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	653.2972
Annotation	Haplophytine
Peak:m/z	Relative Intensity
51.02415	0.6
51.09174	0.6
53.03952	1.6
55.05518	5.7
55.60625	0.7
65.03959	1.4
67.05509	18.6
69.07069	4.6
69.16256	7.5
71.04994	0.7
79.05495	19.9
81.03436	2.0
81.07056	13.9
83.04987	2.4
83.08617	1.8
91.05484	13.6
93.07049	16.7
95.04961	3.8
95.08610	8.2
97.06525	0.7
97.10178	0.8
105.07030	9.6
107.04968	1.9
107.08606	5.7
109.06559	1.6
109.10190	2.9
113.00048	3.3
117.07038	2.3
119.08588	5.0
121.10141	3.4
123.08025	0.8
123.11722	0.7
129.07027	2.0
131.08583	2.7
133.10181	3.5
135.11702	2.5
137.09732	0.8
143.08574	2.0
145.10162	2.2
147.11713	5.8
149.13269	0.9
161.13289	2.4
169.02626	2.0
171.11732	4.0
189.12753	1.8
201.14516	0.7
207.13846	6.0
225.14854	1.3
281.17581	2.1
295.14670	0.8
307.14087	0.9
309.26703	0.7
311.13898	1.1
317.24774	0.8
328.17923	0.7
389.17596	1.7
390.18488	1.3
391.19455	1.2
392.20267	0.8
398.18604	0.7
403.19495	2.0
404.20200	3.8
405.20782	9.0
414.21582	1.1
417.20920	2.4
418.21808	1.9
419.22470	6.7
420.22949	3.4
431.22723	1.6
432.23486	1.3
433.23886	5.0
434.24695	1.7
435.18311	1.0
447.21078	3.6
448.19058	0.9
449.19522	4.2
450.20697	2.2
463.21295	6.2
464.22083	4.1
465.22998	1.5
473.19009	1.1
475.21603	2.7
476.22363	0.9
477.23065	3.8
478.24051	3.4
479.24454	32.0
480.24673	1.0
487.21359	4.3
490.23920	0.9
491.19891	1.5
491.25351	1.7
492.25351	2.7
493.26181	1.9
501.23022	2.6
502.23703	1.9
503.20508	0.8
506.27014	1.3
507.27634	19.3
519.24146	2.8
524.40350	2.3
533.25720	4.9
536.24829	1.1
537.25079	8.9
541.39081	54.7
550.25690	1.1
551.26544	28.1
551.35095	1.7
561.24988	4.7
563.22894	2.0
565.28204	15.0
566.28912	57.9
567.29565	1.4
575.26740	2.4
593.27802	8.8
603.27124	0.9
621.27136	13.3
622.26996	0.9
625.28937	0.9
635.28668	4.0
653.29730	100.0
654.30115	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	653.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.9
57.07082	0.7
67.05505	1.0
68.70550	0.5
71.30508	1.2
74.09733	1.5
79.05493	1.2
81.07095	1.2
83.08655	0.9
85.70485	0.5
91.05505	0.8
93.07050	0.8
95.08643	1.0
105.07001	0.8
107.08652	0.8
161.13174	0.7
255.07845	0.6
275.15509	0.5
286.75873	0.5
297.08569	0.5
375.11786	0.9
375.16858	0.6
377.17636	1.9
389.18588	1.4
390.18387	0.9
391.19183	4.0
392.20117	1.5
403.20041	0.7
404.20084	0.6
405.20795	7.9
406.21600	5.7
407.22461	0.7
419.22604	2.8
420.23148	5.5
421.23920	10.4
432.23355	0.7
433.19370	3.6
434.24789	0.6
436.19040	2.2
445.20352	1.6
446.20837	0.7
447.22137	1.6
450.20749	2.4
451.21381	1.5
452.22208	2.2
459.18048	0.7
460.22571	2.2
461.23538	0.7
464.22137	1.0
465.22897	35.0
473.19769	1.8
475.25592	1.0
477.22708	0.7
478.23621	0.9
479.24551	7.2
480.25073	3.6
487.21219	1.2
488.22214	4.6
491.20868	1.7
492.21695	2.0
501.23260	1.1
503.24466	41.7
504.25192	1.5
507.27530	3.1
524.39972	1.2
533.25690	0.9
535.27094	32.6
536.27527	0.6
541.39240	1.8
551.26746	4.2
561.25262	2.6
566.29730	0.7
579.26068	30.8
580.26428	0.9
593.27679	1.3
594.19012	0.7
594.28461	13.9
621.27191	16.4
653.29742	100.0
654.30066	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.7
55.05510	10.0
55.43332	1.1
57.03434	4.8
57.07063	1.8
59.04994	4.0
60.20089	1.3
61.02908	5.0
63.73585	1.2
65.03925	2.0
67.05505	100.0
67.84261	1.2
69.03429	2.7
69.07068	5.4
70.71463	3.2
70.71797	1.6
71.04646	2.1
71.04993	19.2
75.01761	1.2
79.05493	8.9
81.03426	5.5
81.07057	60.1
81.14654	1.6
83.04949	2.1
83.08614	6.7
85.02906	5.6
85.06539	12.0
87.04461	1.9
91.03955	2.2
91.05476	16.6
93.07041	11.0
95.04948	2.7
95.08620	9.7
97.02924	2.9
97.06541	3.2
97.10165	2.4
99.04465	2.2
105.07040	8.4
107.08581	9.4
109.06535	1.9
109.10160	80.4
111.08092	5.8
117.07007	1.9
119.08595	7.7
121.10160	4.7
123.11720	12.6
125.09612	2.4
133.10135	12.3
135.08122	1.7
135.11662	1.4
137.09647	3.3
147.11705	1.6
149.13280	3.1
151.11205	5.2
155.10678	7.3
159.11674	2.8
169.12238	3.8
173.11720	14.4
177.12747	2.1
183.13863	1.7
187.13333	6.0
197.32022	1.6
229.14369	24.3
269.17450	3.3
301.20056	10.1
318.86777	1.6
376.57437	1.3
397.25864	78.5
411.27353	3.1
423.27444	29.0
455.30093	99.1
456.30371	2.2
481.27066	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.8
55.01866	4.1
55.05517	28.0
57.03444	10.3
57.07076	3.1
59.04995	2.8
65.03931	3.5
67.05508	100.0
69.03077	2.6
69.03432	26.4
69.07066	10.3
71.04984	5.3
71.08632	2.3
71.54580	2.7
79.05498	27.2
81.02975	3.4
81.03421	37.5
81.07064	50.7
83.04986	18.4
83.08627	14.0
83.78222	1.7
85.02890	4.9
85.06554	3.5
85.15752	1.6
91.05476	30.0
93.07047	34.0
95.04966	7.9
95.08605	33.5
97.02888	12.1
97.06503	4.4
97.10163	10.9
99.04453	5.0
99.08134	1.9
100.20663	1.7
105.07037	26.2
107.04948	4.5
107.08601	22.3
109.02887	6.6
109.06531	5.0
109.10163	55.1
111.04437	5.2
111.08068	3.9
117.07030	16.8
119.08595	21.9
121.06506	3.1
121.10153	12.9
123.04417	2.1
123.08055	4.1
123.11697	5.4
125.09631	11.4
127.03894	5.3
128.06204	2.2
129.05508	3.8
129.06981	8.4
131.04927	2.5
131.08583	17.2
133.06525	2.6
133.10138	13.3
135.08073	5.0
135.11720	10.5
139.11203	2.4
141.06981	3.6
143.08553	7.3
145.06523	3.8
145.10121	13.3
147.08028	4.3
147.11710	9.3
149.09607	1.8
149.13283	5.3
155.08568	4.8
155.10667	4.1
157.10156	9.1
159.08078	3.7
159.11671	10.8
161.09630	3.4
161.13271	6.1
163.11235	2.2
163.14769	2.1
167.08591	3.0
169.10172	5.1
171.11685	6.6
173.11737	14.4
173.13266	5.2
175.11139	3.0
175.14827	1.8
177.12813	2.7
181.10109	3.1
183.11729	2.9
185.13264	4.8
187.11229	2.5
187.14850	3.5
189.11185	8.9
195.11748	4.6
197.13251	3.5
199.11086	4.0
199.14714	2.1
211.14948	2.2
213.12737	2.5
223.14841	2.2
227.12723	8.9
229.14352	31.2
245.13847	3.1
259.20648	2.3
261.22061	3.9
285.22021	2.2
299.14865	2.9
301.21606	6.4
303.23154	2.6
335.26050	11.3
337.27292	7.6
341.24918	3.1
345.24365	2.9
351.23044	6.1
369.24161	9.7
371.17010	2.5
373.18576	8.0
387.25156	7.7
393.26624	2.1
403.24756	2.1
405.26523	4.8
443.27948	2.9
461.29041	9.0
479.29703	5.2
489.35751	15.4
500.95651	2.0
507.36795	2.4
541.34949	2.0
547.36060	2.0
597.37714	4.2
615.38702	9.1
620.33313	2.1
633.39960	38.6
651.41785	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	651.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	9.4
55.01870	4.1
55.05270	2.2
55.05516	29.4
57.03236	1.1
57.03443	12.1
57.07071	2.6
59.04991	2.5
65.03928	3.9
67.05512	100.0
69.03083	2.0
69.03435	28.5
69.07073	17.4
70.79932	1.4
71.01369	1.3
71.05007	7.5
73.02895	2.2
79.05499	39.3
81.03426	48.3
81.03916	2.3
81.07066	59.8
83.04498	1.5
83.04985	23.1
83.08627	14.7
85.02907	4.7
85.06532	4.0
91.05489	31.8
93.07053	38.4
95.01328	1.5
95.04982	9.1
95.08615	44.3
97.02303	1.3
97.02895	17.2
97.06527	5.0
97.10183	14.4
99.04458	5.4
99.08086	2.1
105.04512	1.5
105.07040	25.0
107.04967	4.2
107.08605	27.2
109.02894	8.4
109.06547	3.0
109.10170	61.6
111.04424	9.0
111.08066	4.5
113.05987	1.5
115.05513	2.0
117.07028	10.6
119.04917	1.7
119.08584	23.0
121.06499	5.0
121.10146	17.2
123.08066	3.7
123.11709	6.0
125.09654	10.7
127.03944	7.9
129.05505	11.4
129.07036	10.0
131.08582	18.6
133.06488	3.4
133.10138	16.1
135.08046	6.3
135.11700	11.0
137.09616	4.9
137.13258	1.7
139.11209	1.7
141.07014	1.4
142.07794	2.0
143.08557	9.5
145.06480	2.6
145.10120	12.4
147.08073	2.8
147.11703	11.4
149.05894	1.5
149.09616	4.2
149.13245	6.2
155.08572	4.5
155.10681	3.7
157.06470	1.7
157.10136	6.5
159.08025	2.1
159.11713	10.4
161.09662	2.9
161.13257	4.0
163.11212	1.5
163.14864	2.7
167.08542	2.3
169.10124	2.3
171.10217	1.9
171.11673	4.6
173.09598	2.1
173.11740	15.1
173.13292	6.0
175.11118	2.0
175.14810	2.9
179.35420	1.3
181.10031	1.3
183.11707	3.8
185.09634	1.5
185.13255	5.5
187.11163	3.0
187.14850	3.4
189.11237	10.1
189.12753	2.5
195.11597	1.4
197.13286	3.0
199.11227	2.7
199.14897	1.6
201.12749	1.6
201.16466	1.7
207.11697	1.5
209.09473	1.3
209.13213	1.8
213.12698	1.5
217.19565	1.3
219.13925	1.3
223.14758	1.4
225.12680	1.4
227.12721	13.5
228.15367	1.5
229.14368	27.1
234.96216	1.4
241.19542	1.8
243.21072	1.9
245.13828	5.1
259.20453	3.7
261.22183	8.6
263.23532	1.6
273.18732	1.2
277.21735	2.9
279.23138	2.2
287.16379	1.2
289.21448	2.4
299.14883	3.4
301.21512	6.2
303.23187	2.5
315.23138	2.5
317.24683	3.1
319.22559	2.8
323.23694	2.3
327.23132	2.7
331.86426	1.2
333.24384	1.4
335.25879	16.4
337.27374	9.0
341.24591	2.8
351.23236	4.5
353.24667	1.6
359.25446	1.3
369.24347	11.7
371.16910	5.2
373.18741	8.8
387.25290	7.3
393.26682	1.4
405.26086	3.9
425.26694	2.1
443.27802	5.4
461.29230	6.4
479.30066	4.2
487.33838	1.5
489.35959	10.0
507.36560	4.3
539.37646	2.1
547.36267	1.9
559.36438	2.4
597.37549	5.0
615.38770	7.2
633.40002	37.2
651.40668	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	651.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.6
55.01867	3.9
55.05265	2.0
55.05513	25.5
55.59612	1.1
57.03434	9.1
57.07081	3.1
59.04986	2.3
65.03936	4.1
67.05505	100.0
67.53645	1.4
69.03425	19.3
69.07063	16.4
71.01385	1.3
71.05005	6.7
73.02924	1.7
73.97039	1.3
74.09725	1.8
79.05493	28.4
81.03419	40.9
81.07057	52.1
83.00605	1.2
83.04985	14.3
83.08606	13.8
85.02914	5.0
85.06525	2.5
91.05482	30.4
93.07046	34.0
95.04953	5.5
95.08602	35.4
97.02895	15.3
97.06533	4.8
97.10168	10.9
98.20763	5.1
99.04456	3.3
99.08097	1.4
103.05479	1.3
105.04537	1.2
105.07030	25.4
107.04930	4.7
107.08604	24.3
109.02863	6.3
109.06543	5.3
109.10155	63.7
111.04452	7.6
111.08069	5.3
114.19180	1.4
115.05456	2.6
117.07009	9.7
119.08569	19.8
119.09363	2.1
121.06499	2.4
121.10149	15.8
123.08084	3.0
123.11755	6.6
125.05978	1.6
125.09619	11.9
127.03924	6.0
128.06203	2.1
129.05522	8.1
129.07011	9.1
131.08560	16.8
133.06493	4.0
133.10126	13.9
135.08072	4.1
135.11697	10.5
137.09612	5.9
137.13232	2.3
141.06998	1.9
142.07784	2.5
143.08565	10.2
145.06458	3.6
145.10112	13.1
147.08063	3.0
147.11676	10.9
149.09627	4.2
149.13257	5.9
153.09081	1.5
155.08533	4.6
155.10670	2.8
157.10159	5.5
159.08043	2.0
159.11719	9.3
161.05913	1.2
161.09550	2.6
161.13214	6.0
163.11131	1.4
163.14876	3.7
165.12759	1.3
169.10141	3.6
171.07977	2.3
171.10339	2.1
171.11641	7.3
173.09567	1.4
173.11749	17.6
173.13283	5.8
175.11200	3.5
175.14819	3.3
177.12724	2.2
181.10181	2.6
183.11687	3.5
185.09593	2.3
185.11491	1.2
185.13290	4.5
187.11143	2.0
187.14830	3.1
189.11263	8.0
195.11699	2.5
197.13293	3.4
199.11185	2.9
199.14859	4.6
201.12683	1.3
209.13243	2.5
211.11299	1.3
211.14923	1.8
213.16386	1.6
215.14178	1.5
227.12746	14.6
229.14331	33.8
231.13945	1.3
241.19601	2.1
245.13879	4.7
245.22830	1.3
259.20627	2.8
261.22174	4.5
263.23749	1.6
273.22302	1.4
275.20105	1.4
275.23776	1.6
277.21631	3.0
281.17676	1.7
289.21820	1.9
292.00336	1.4
297.22183	1.9
299.14923	4.6
301.21548	5.2
303.23099	3.0
315.23236	2.8
319.22772	1.7
335.25912	8.8
337.27475	7.7
339.23242	1.7
341.24725	1.4
345.24277	2.9
351.23218	4.0
359.25919	1.4
363.25226	1.6
369.24335	9.8
371.16885	6.0
371.25586	2.1
373.18594	7.5
375.25455	2.2
377.26553	1.4
383.24146	1.5
387.25406	6.6
405.26514	2.3
423.27185	2.9
443.28125	3.0
445.29913	1.6
461.28903	5.5
467.44434	1.4
479.30032	4.6
487.33804	1.6
489.35776	9.7
505.35199	2.3
507.36877	2.8
539.37372	4.5
541.35046	1.7
573.37573	1.5
579.36890	1.6
597.37714	9.6
615.39038	6.9
633.39929	35.2
651.40515	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	651.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90357	1.6
53.03951	7.6
55.01863	3.9
55.05513	26.2
57.03438	12.9
57.07086	7.6
57.07330	1.6
59.05004	3.8
65.03951	3.0
67.05508	100.0
68.13022	1.4
69.03436	26.0
69.07072	16.3
71.04990	6.0
71.08634	4.5
71.52892	2.9
73.02905	1.5
79.05500	24.8
81.03426	32.9
81.07063	55.2
83.04980	13.6
83.08622	16.2
85.02915	3.9
85.06549	3.6
90.12568	1.5
91.05485	31.5
93.07050	37.7
95.04975	7.8
95.08617	35.8
97.02891	9.7
97.06549	6.2
97.10178	10.7
99.04440	3.5
103.03955	2.2
105.07037	25.9
107.04976	4.7
107.08598	22.2
109.02887	8.7
109.06546	4.3
109.10163	67.5
111.04441	7.6
111.08109	5.8
117.07028	15.0
119.08590	19.2
121.06492	2.7
121.10148	14.2
123.08061	3.8
123.11693	4.2
125.09626	8.2
127.03937	5.7
128.06174	2.1
128.60513	1.4
129.05453	4.9
129.07027	8.4
131.04973	2.1
131.08594	16.1
133.06497	5.2
133.10135	14.0
135.08078	4.7
135.11725	8.9
137.09628	7.0
138.08505	1.7
141.07053	3.0
142.07793	3.1
143.08565	6.6
145.06516	3.2
145.10147	12.8
147.08017	3.0
147.11705	11.3
149.09644	2.7
149.13258	5.4
155.08562	4.8
155.10683	4.3
157.10162	6.4
159.08012	3.3
159.11682	10.6
161.09616	3.2
161.13264	4.5
163.14796	2.9
167.08627	2.2
169.10184	5.7
171.08119	2.0
171.11757	4.3
173.09666	2.4
173.10318	2.0
173.11749	16.3
173.13281	4.3
175.11197	2.9
175.14825	2.6
179.10703	2.0
179.14253	1.6
181.12262	2.0
183.08098	2.0
183.11720	5.1
185.09676	2.5
185.13260	4.7
187.11130	3.0
187.14874	3.7
189.11217	7.3
189.12779	3.0
195.11760	2.8
197.09824	2.2
197.13277	4.0
203.14265	2.1
209.13330	2.0
211.14897	2.7
213.12830	1.8
221.13293	1.7
225.12657	2.2
227.12831	6.9
229.14352	35.7
245.13766	1.6
249.85501	1.8
261.22098	4.0
277.21774	2.6
299.14896	3.7
301.21588	4.8
313.27322	2.7
319.22595	2.5
333.24866	2.3
335.25790	7.0
337.27344	4.9
339.18118	1.9
341.24988	2.4
345.24323	2.8
351.23053	4.6
369.24301	12.6
373.18826	4.1
387.25461	6.4
393.26306	2.2
405.26340	3.8
443.27765	5.0
443.46555	1.5
461.28729	5.1
479.29877	4.2
489.35825	6.6
545.38519	1.7
547.36316	2.2
585.37183	2.1
597.38281	9.2
615.38641	10.4
633.40021	30.2
651.43738	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	649.3937
Annotation	Rubuside H
Peak:m/z	Relative Intensity
53.03947	2.8
53.36595	0.9
55.01878	2.2
55.05511	9.5
57.03436	4.4
61.02930	3.4
63.83160	1.1
65.03936	1.9
67.05509	38.3
69.03432	8.0
69.07081	7.7
71.04993	4.0
71.18252	2.5
73.02933	2.5
75.08857	1.1
79.05495	13.5
81.03424	13.0
81.07055	18.1
83.04967	5.3
83.08619	6.5
85.02918	5.3
85.06536	1.7
91.03972	1.2
91.05483	18.4
93.07051	17.1
95.04983	4.6
95.08618	13.1
97.02895	7.5
97.06557	2.2
97.10172	4.9
99.04442	2.3
105.07034	13.8
107.05005	2.1
107.08579	9.2
109.02916	2.6
109.06498	2.2
109.10168	22.1
111.04478	2.8
111.08093	1.8
117.07030	8.2
119.08586	16.5
121.06505	2.1
121.10149	6.7
123.04466	1.1
123.08083	1.5
125.09643	5.4
127.03945	4.0
128.06184	1.6
129.07028	5.0
131.08568	9.4
133.06511	1.4
133.10150	10.4
133.93489	1.0
135.08089	1.5
135.11714	4.2
137.09683	2.4
141.06999	2.8
142.07826	2.3
143.08591	7.5
145.06496	2.3
145.10124	10.0
147.08159	2.1
147.11700	6.5
149.09622	2.0
149.13274	3.4
155.08614	6.0
155.10674	1.5
157.10115	6.2
158.10976	1.0
159.08104	1.6
159.11693	9.5
161.09637	2.1
161.13315	3.2
167.08536	1.7
169.06642	1.4
169.10147	2.9
171.11676	5.5
173.11789	5.0
173.13338	4.4
175.11214	1.8
175.14845	1.9
181.10211	3.0
183.11749	4.0
185.09645	1.6
185.13315	4.5
187.14783	2.3
189.11285	3.4
189.16499	1.0
193.10208	2.0
195.08099	1.5
195.11746	2.5
197.09766	1.3
197.13237	3.3
199.14822	2.3
209.13312	2.1
227.12822	3.7
229.14378	7.7
241.19624	2.8
245.13834	3.2
253.19800	1.6
257.18784	1.2
259.20609	4.2
261.22263	1.8
271.20755	1.2
283.15045	6.3
283.20660	1.3
287.20139	1.1
301.21829	1.7
321.22122	1.3
325.21832	1.2
327.72253	1.4
333.20459	4.1
333.24268	3.9
335.25827	1.3
339.17834	3.0
349.21820	2.1
351.23309	1.4
367.22809	1.7
369.24277	2.3
373.18500	1.7
375.25327	1.6
385.23807	1.3
389.23221	2.6
395.29758	2.8
469.33035	1.4
485.32837	1.3
487.34271	30.0
529.35321	1.7
553.35028	1.7
583.36664	1.3
595.36047	6.0
599.78235	1.3
613.37189	9.2
631.38385	10.6
649.26825	7.6
649.39246	100.0
650.39600	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	649.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	2.1
53.03949	15.0
55.01867	7.9
55.05508	22.0
57.03443	14.3
57.07058	2.5
58.70756	1.6
60.65808	1.8
65.03933	4.5
66.04740	1.6
67.05508	65.8
68.16222	1.8
69.03432	22.0
69.07070	16.0
69.27760	14.3
71.04983	6.6
73.06551	4.2
79.05497	98.9
81.03421	45.5
81.06581	3.7
81.07059	62.3
83.04990	21.7
83.08629	11.1
85.02907	13.6
85.06528	5.2
87.04435	2.5
90.15826	1.8
91.05485	100.0
93.07047	90.5
95.04974	34.5
95.08611	41.3
97.02905	11.3
97.06540	8.3
97.10175	5.9
98.21584	2.3
99.04458	4.2
99.08097	2.7
101.02340	1.9
102.20710	1.7
103.05476	3.8
105.04539	4.9
105.07039	66.8
107.04362	2.2
107.04964	17.2
107.08606	25.9
109.02907	8.0
109.06525	12.1
109.10152	8.4
111.04410	3.1
111.08061	2.7
115.05453	7.3
117.07019	24.9
119.04939	2.0
119.07800	1.4
119.08584	39.4
121.06516	9.7
121.10149	8.7
123.04462	2.3
123.08054	8.9
127.03901	7.9
127.07498	2.3
128.06215	11.1
129.05533	3.3
129.07014	39.0
131.04964	4.8
131.08575	22.7
133.06500	7.6
133.10135	17.9
135.08096	3.6
135.11702	3.7
141.06985	7.8
142.07780	2.1
143.08563	28.2
144.05675	2.0
145.06540	9.6
145.10123	21.4
147.08046	5.1
147.11699	45.1
149.09589	2.0
149.13278	2.1
153.07010	2.0
155.08530	9.2
157.06511	6.1
157.10120	7.2
159.08058	6.8
159.11711	6.6
161.09593	7.3
161.13235	19.8
163.11191	5.2
165.07005	2.7
167.08548	5.3
169.10135	5.1
171.08084	7.9
171.11697	47.7
173.04469	14.1
173.09642	4.2
173.13217	4.1
175.11116	2.9
177.12816	3.1
179.14381	2.6
181.10156	5.2
183.11729	2.2
185.09628	5.5
185.13281	4.8
187.07512	1.8
187.11243	3.7
189.09128	2.2
189.12755	22.1
193.10202	2.3
193.21742	1.9
195.11650	3.9
197.13287	2.3
201.12747	2.1
203.10777	1.9
207.11880	2.8
207.13805	45.5
213.12773	2.8
218.34319	1.9
221.15425	2.6
223.14806	4.6
225.14806	5.0
227.14238	5.2
231.13762	2.9
241.15903	8.5
245.15524	2.3
251.14348	4.7
259.17001	6.8
263.16602	2.4
269.15302	13.1
279.15912	4.0
281.17471	85.6
287.16415	19.5
297.14767	3.5
305.17404	3.5
309.16965	4.2
315.15948	3.0
333.16986	3.6
351.17950	3.4
361.19849	3.1
407.20798	2.0
425.21902	9.8
444.19336	1.8
446.53079	2.0
469.29691	3.3
487.30597	60.1
501.32166	4.4
529.31787	2.7
539.33673	3.2
549.32007	3.8
567.33307	10.7
613.33344	6.0
631.34778	12.8
649.35699	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	649.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.5
67.05522	0.7
69.07082	0.4
69.32641	2.4
71.26120	0.4
79.05492	0.7
81.03414	0.5
81.07071	0.9
81.32465	0.3
85.10159	0.3
91.05479	0.4
93.07034	0.5
95.08624	0.7
98.20732	0.6
104.68394	0.3
105.07067	0.5
107.08622	0.7
119.08594	0.5
133.10118	0.7
143.08469	0.4
259.12506	0.4
300.14993	0.4
332.31555	0.3
388.17197	0.4
401.17395	0.6
402.19022	0.4
403.19165	1.6
404.19876	0.4
405.20837	0.7
415.19708	0.5
416.20163	0.9
417.21094	2.9
418.21710	0.7
419.22336	1.0
429.16632	0.5
429.21725	0.5
430.17938	1.1
430.22623	0.6
431.17831	3.6
431.23572	0.8
432.18744	0.6
432.23511	1.0
433.24188	2.3
443.18738	1.1
444.19333	2.4
445.20148	6.3
446.21106	1.4
447.21692	1.6
457.20596	0.6
458.21439	0.6
459.22363	5.5
460.22800	4.0
461.23584	3.9
472.18320	0.4
473.19339	6.1
474.20569	1.3
475.25015	1.1
477.22519	0.5
487.20575	2.6
488.21851	0.4
489.22980	1.5
501.23138	1.4
502.23712	2.0
503.24622	5.6
505.22272	0.9
514.23022	0.4
515.24243	0.9
517.22284	0.4
519.23175	0.6
520.37762	0.4
529.26166	0.5
531.23816	1.1
533.22290	1.0
537.38086	1.3
546.26202	1.1
547.27185	10.0
559.23425	0.6
560.24194	0.5
561.24670	2.8
574.26086	0.6
575.26807	1.0
577.24170	0.5
578.25897	0.4
589.28125	22.2
590.28937	0.5
591.26379	0.8
606.28546	0.6
607.29218	2.5
617.27588	0.5
620.26147	1.1
621.30853	0.4
649.30219	100.0
650.30493	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	647.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44003	1.1
56.96567	21.2
61.02923	2.3
69.03421	3.4
69.52675	2.5
69.53082	6.3
71.05010	1.5
73.02912	1.7
81.03419	2.1
84.96027	9.1
85.02909	9.1
87.04451	1.7
91.05479	3.5
95.19140	1.2
97.02896	5.0
98.97589	100.0
99.04459	1.9
109.02867	2.0
110.97580	12.2
112.99167	3.4
116.98620	32.8
119.04935	4.3
121.92646	1.3
124.99086	1.5
127.00681	1.8
127.03925	5.1
128.23540	1.3
128.98593	13.1
131.00177	3.2
131.01901	1.5
134.99675	5.9
136.04071	1.2
137.05991	3.3
140.00261	1.5
140.98581	2.1
143.00166	5.0
144.98061	2.7
145.01740	4.2
145.02773	1.5
145.05017	2.2
146.99643	3.3
147.03276	6.7
147.04420	11.3
149.01244	2.3
158.99664	48.6
161.01195	4.2
162.99097	1.6
163.02763	2.6
165.04355	5.1
170.99695	5.7
171.03255	3.9
175.02821	1.9
177.00725	28.9
177.05576	1.6
179.02185	1.4
189.00726	6.5
189.04338	9.9
201.00656	6.4
201.04393	1.7
203.02287	2.7
207.05447	4.0
219.01785	37.1
224.03976	2.0
231.05357	5.4
235.02765	1.6
237.02840	37.8
239.02277	2.9
245.03273	1.6
249.06625	2.1
253.03868	4.0
257.03262	2.7
261.02652	1.9
277.03766	4.2
291.07468	30.0
293.05475	1.6
295.04855	2.0
298.08331	1.6
305.05621	2.0
307.04642	1.9
309.08575	58.2
323.06317	4.0
332.10056	2.5
349.07864	1.7
351.09607	2.5
355.08600	1.6
365.07529	21.0
367.09085	4.2
391.09018	3.4
403.08936	7.7
421.09991	2.3
437.11063	5.4
455.12244	36.6
456.12320	2.1
463.12024	1.6
465.09109	12.9
483.10251	12.1
537.12671	17.6
567.13989	1.6
611.12982	3.1
629.13660	13.7
647.19983	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	647.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55429	0.6
55.05510	1.0
57.03437	1.0
57.07068	2.4
61.45753	0.7
67.05501	1.8
69.07063	1.4
71.08632	2.8
74.32356	0.7
79.05497	1.6
81.03413	0.9
81.07068	1.8
83.08630	0.7
85.10162	1.0
85.81330	0.7
91.05460	0.8
93.07031	1.3
95.08619	1.8
96.51322	0.9
98.24352	0.9
107.08633	0.8
109.10197	1.2
116.38696	0.9
119.08669	0.7
125.70350	0.8
175.02596	0.9
296.30280	0.8
313.27490	0.9
335.21954	5.4
391.24637	5.0
535.43842	3.4
647.48590	100.0
648.48871	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	646.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.0
55.01880	6.9
55.05266	2.4
55.05516	35.8
57.03439	15.5
57.07087	2.9
59.05023	2.2
65.03944	3.6
67.05511	70.9
69.03429	5.0
69.07071	20.1
69.75851	7.8
71.05015	8.9
71.08644	14.7
77.03909	1.5
79.05502	52.5
79.05968	2.6
81.03424	85.2
81.07063	69.4
83.04985	12.6
83.08624	35.1
85.02945	2.7
85.06537	5.6
90.82678	1.4
91.05495	45.3
93.07052	52.1
95.04980	37.0
95.08051	3.0
95.08616	32.4
97.06541	9.1
97.10183	18.7
98.20788	2.8
99.08115	12.3
101.06039	1.3
103.05459	1.7
105.04512	1.7
105.07045	30.8
105.07690	2.6
107.04980	9.5
107.08607	32.3
109.06534	7.2
109.10175	18.2
111.04465	2.9
111.08085	12.1
113.09738	1.5
115.05449	2.5
117.07032	13.9
119.04913	2.0
119.08590	23.6
121.06510	7.8
121.10146	20.2
123.08085	4.7
123.11720	3.7
125.09649	14.9
129.07005	13.8
131.08583	22.2
133.06500	5.5
133.10146	16.6
135.08104	4.5
135.11705	10.3
137.09601	4.1
139.11192	2.7
141.06998	1.5
142.07796	2.5
143.08575	6.0
145.06479	4.0
145.10126	10.5
147.04413	4.3
147.08058	5.0
147.11699	15.9
149.09596	9.1
149.13261	8.9
151.11214	12.7
153.09096	3.0
155.08612	3.2
157.10126	13.9
159.11726	11.3
161.09669	2.5
161.13344	7.3
163.11218	9.4
165.12827	3.6
167.08559	1.8
167.14270	1.8
169.10106	1.7
171.08047	3.2
171.10297	2.0
171.11725	4.8
173.13306	1.7
175.11192	9.3
175.14839	2.0
177.12773	5.3
179.14371	3.7
185.13301	3.3
189.11266	10.6
189.12723	1.9
191.14441	1.6
193.12282	29.2
195.13846	2.8
197.73445	1.6
199.14847	2.6
207.13817	1.5
211.13274	3.5
217.15942	2.6
225.14845	3.0
227.12811	30.0
229.14346	2.6
241.19504	2.2
245.13840	4.2
249.14824	2.9
259.20523	2.4
267.15942	78.5
269.17508	30.9
269.20193	2.6
275.20047	2.2
277.21655	19.1
293.21188	4.4
331.51974	1.6
341.24829	1.9
351.25476	24.0
365.23138	2.2
367.24677	1.9
369.24362	5.6
371.25845	1.7
387.25336	2.9
403.25256	1.5
405.26141	2.1
419.24277	4.0
421.25751	2.6
433.31125	2.1
435.27689	2.0
437.24747	8.2
443.27933	16.1
445.29355	6.4
447.27557	8.2
451.32098	3.1
461.29022	100.0
462.29022	2.0
469.33182	2.6
475.30280	2.5
493.31644	18.1
525.35327	2.6
543.36920	50.8
561.37708	13.5
593.40546	2.9
646.41187	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	645.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45781	0.3
55.05503	0.5
57.03436	0.7
57.07077	2.4
67.05506	1.2
68.40529	0.3
69.07062	1.3
71.08648	1.8
77.13403	0.3
79.05491	0.9
81.07049	2.4
82.63595	0.3
83.08626	1.2
85.10184	0.8
89.06026	0.5
91.05485	0.4
93.07041	1.0
94.12096	0.3
95.08627	1.4
97.10169	0.5
105.07052	0.5
107.08585	0.5
109.10170	0.9
117.32504	0.3
119.08605	0.4
121.10191	0.3
147.11728	0.4
149.13184	0.3
197.37675	0.3
277.14032	0.3
313.27441	1.1
333.20425	5.7
375.87540	0.3
378.27744	0.3
385.17261	0.3
389.23007	3.8
533.41925	1.4
547.39459	0.5
585.23761	0.5
645.25818	2.6
645.47028	100.0
646.47424	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	646.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.2
55.01857	6.5
55.05515	38.3
57.03439	23.1
57.07067	4.9
59.04987	9.1
65.03938	4.9
67.05511	100.0
68.05826	2.8
69.03430	4.2
69.07071	25.9
69.42259	19.3
71.04990	15.1
71.08620	6.7
71.29397	2.2
79.05074	4.5
79.05497	60.0
79.85316	2.3
81.03422	83.1
81.07065	86.1
83.04979	10.5
83.08630	30.3
84.81858	2.8
85.06521	8.2
87.04453	6.1
91.05487	60.8
92.05802	2.3
93.07051	59.9
95.04980	31.8
95.08614	42.8
97.02841	2.7
97.06547	12.2
97.10197	15.7
97.37370	2.5
98.20824	6.1
99.08083	7.2
105.06393	3.6
105.07043	49.6
107.04971	8.2
107.08599	28.4
109.06525	8.6
109.10162	35.7
111.08101	12.5
115.05431	3.5
115.07719	2.3
117.07018	18.0
119.08585	30.2
121.06477	6.4
121.10139	26.0
123.08079	9.5
123.11679	8.6
125.09621	10.5
129.07011	13.7
129.74115	2.3
131.08594	29.0
133.06473	4.2
133.10146	27.7
135.08028	6.1
135.11685	10.7
137.09612	6.0
142.07753	2.8
143.08536	10.1
145.10141	11.8
147.08064	4.9
147.11681	13.4
149.09615	10.9
149.13222	13.2
151.11182	9.2
155.08533	4.3
157.10187	11.6
159.11681	10.8
161.13287	7.0
163.11186	8.3
163.14861	3.4
169.10059	3.6
171.11673	7.4
173.09561	4.7
173.11720	6.7
173.13206	5.9
175.11206	9.7
175.14864	3.5
177.12790	7.7
179.14319	4.0
181.09991	2.5
181.12375	2.7
185.13268	8.4
185.68291	2.2
187.14803	3.7
189.11217	8.7
193.12251	31.4
195.13850	3.9
199.14873	4.6
201.12703	2.6
201.16393	3.0
211.13271	9.5
220.28085	2.5
221.13416	2.7
225.14890	5.8
227.12811	14.5
229.14244	14.8
249.14821	4.9
261.22186	4.9
267.15948	66.2
269.17444	13.9
275.19958	3.6
277.21664	10.8
297.12546	2.6
335.25787	9.2
351.25421	6.6
368.25018	3.5
369.24329	9.1
379.66748	2.7
383.24234	3.1
387.25323	4.0
405.26230	3.4
421.25485	9.3
435.32388	4.7
443.27994	2.8
461.28983	29.1
493.31137	5.9
527.37549	17.3
543.36407	8.4
545.38403	25.2
559.39972	3.7
577.40625	9.7
593.40112	3.6
595.58112	3.4
610.58673	2.7
646.38788	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	644.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03872	1.0
53.04088	0.6
55.01800	1.0
55.02037	0.8
55.05414	5.3
55.05709	1.4
56.40849	0.5
57.03340	2.6
57.03652	1.0
57.35280	0.5
59.04931	0.6
65.03849	0.8
65.33748	0.4
67.05397	11.1
67.05798	2.0
69.03364	0.9
69.06958	4.1
69.07368	1.2
71.04889	1.6
71.05239	0.6
71.08512	2.9
79.05373	9.5
79.05889	1.5
81.03299	16.4
81.03825	1.7
81.06935	10.9
81.07454	1.4
83.04867	2.1
83.08495	5.3
83.09045	1.0
85.06457	0.7
91.05354	10.2
91.05960	1.0
93.06914	9.6
94.30509	0.5
95.04838	6.0
95.05487	1.2
95.08475	6.5
97.02813	0.8
97.06393	1.7
97.10034	2.6
99.08068	2.5
105.04446	0.6
105.06895	8.4
107.04823	2.3
107.08457	5.2
109.06393	1.9
109.10143	3.6
111.04328	0.6
111.07944	2.0
111.10901	0.5
117.06875	2.7
119.08427	5.9
121.06353	1.5
121.10141	4.7
123.07931	0.9
123.11585	1.1
125.09453	1.7
129.06850	2.1
131.08585	5.0
132.08768	0.5
133.06364	1.2
133.10135	4.0
135.07950	1.0
135.11702	2.6
137.09526	0.7
139.10992	0.8
142.07597	0.6
143.08389	1.7
145.10170	2.8
147.11699	4.2
149.09442	2.1
149.13144	1.6
151.11018	1.6
155.08452	1.1
157.10165	3.1
159.11508	1.6
161.13184	0.9
163.11090	0.7
165.12650	1.1
169.10068	0.6
171.11592	1.1
173.13057	0.8
175.11018	2.2
177.12633	0.8
185.13121	0.7
189.11220	1.0
193.12274	5.6
195.13635	0.9
197.13023	0.7
211.13147	1.0
217.15782	0.6
219.13692	1.5
227.12579	1.7
229.14200	1.1
249.14696	1.4
253.14131	0.8
267.15906	21.4
269.17355	1.1
273.18246	0.7
275.20081	2.5
293.21097	20.6
315.23169	0.8
344.41321	0.6
349.23688	0.9
367.24823	7.2
369.24072	1.2
397.12637	0.9
398.13113	1.4
399.14169	0.7
410.13351	1.1
411.14185	3.3
412.14832	5.8
413.15463	4.4
414.16043	1.7
415.16690	0.5
421.26016	0.6
424.15005	1.8
425.10876	0.9
425.16382	4.9
426.16595	11.9
427.17120	8.2
428.17889	2.4
429.18634	1.4
438.11911	0.9
438.17169	1.1
439.13147	5.3
440.13553	12.3
441.14127	1.8
441.19321	10.8
442.19537	32.5
443.19284	4.4
445.25986	0.9
452.14078	0.6
452.17810	0.6
453.14890	5.8
454.15585	16.3
455.15820	5.0
456.16992	0.6
457.14429	0.7
459.16119	0.6
459.27280	1.1
461.28796	1.8
464.14203	1.0
466.15833	0.7
467.17316	4.4
468.17389	26.1
469.04163	0.6
469.18143	16.5
470.19052	11.8
471.18701	1.8
472.17307	0.7
477.27921	1.0
481.14569	2.9
482.14877	12.0
483.15292	4.2
484.16208	0.6
486.18091	1.2
494.16498	0.6
495.17783	1.0
496.16428	3.2
497.17526	12.0
498.17813	2.7
499.18863	0.7
500.19772	1.5
509.19147	0.8
510.18713	2.4
513.20831	1.5
514.21570	1.1
515.22736	3.7
524.20032	1.9
525.35779	2.0
527.18713	0.5
528.24219	2.5
529.23401	1.0
541.35376	0.8
543.21405	0.6
543.36835	2.6
552.19208	0.6
555.22192	2.1
556.22711	27.5
557.22675	4.4
559.36261	15.1
583.21930	4.8
584.22150	100.0
585.22064	12.2
588.25372	2.4
612.21838	2.1
615.24249	1.3
616.24695	12.5
617.24841	1.5
626.45178	0.9
644.24237	80.4
645.24146	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	644.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01860	1.0
55.05513	3.5
56.68700	0.4
57.03440	4.0
61.02936	5.4
62.24185	0.4
67.05511	5.6
69.03434	2.1
69.07062	2.0
71.04984	1.3
73.02918	1.8
79.00326	0.3
79.05498	5.5
81.03423	25.3
81.07056	7.6
83.04993	4.8
83.08622	9.9
85.02908	14.2
85.06540	1.0
87.04442	0.6
87.79268	0.4
91.03960	4.9
91.05489	9.4
93.07051	5.2
95.04978	8.7
95.08614	3.3
97.02893	4.6
97.06518	1.4
97.10179	1.0
99.08112	1.0
105.07043	7.2
107.04949	2.4
107.08581	2.5
109.02907	0.6
109.06516	1.3
109.10150	1.1
111.04452	1.2
111.08099	5.6
113.06003	1.1
115.03899	0.4
115.05412	0.5
117.07022	0.4
119.04932	0.5
119.08592	6.3
121.06499	1.0
121.10153	3.3
123.08047	1.0
123.11734	0.6
127.03945	2.0
129.07002	4.1
131.08571	3.2
133.06458	1.1
133.10139	4.5
137.05994	0.7
137.09676	0.9
145.04951	2.0
145.10104	0.5
147.08014	0.7
147.11690	7.5
149.09651	2.7
157.10135	6.9
163.06041	3.4
165.12740	1.9
175.11195	7.7
177.05453	1.6
193.12257	24.5
211.13303	16.5
211.15295	1.0
226.91092	0.5
249.48543	0.4
267.15955	8.0
285.16980	100.0
286.17328	0.8
340.75052	0.5
393.18991	0.5
411.20258	0.6
429.21344	2.4
447.22293	3.8
629.02142	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17244	0.3
53.03934	0.7
55.01865	0.7
55.05266	0.4
55.05511	4.0
57.03446	4.2
59.04964	0.3
61.02934	4.8
67.05180	0.5
67.05511	6.2
67.60059	0.3
69.03438	2.0
69.07075	2.4
69.15958	0.3
69.53501	1.0
69.53938	1.2
71.04999	1.6
73.02910	2.4
75.94102	0.3
78.83433	0.3
79.05063	0.5
79.05498	6.7
81.03425	25.5
81.07062	7.4
83.04986	5.6
83.08152	0.7
83.08624	9.4
83.09116	0.6
85.02912	14.4
85.06530	1.0
91.03963	5.2
91.05482	8.8
92.14266	0.3
93.07045	5.1
95.04974	10.0
95.08625	3.2
97.02888	4.0
97.06520	1.3
97.10154	1.1
98.21420	0.4
99.04437	0.8
99.08100	0.5
105.07039	6.6
107.04958	2.1
107.08579	2.8
109.02884	0.6
109.06536	2.1
109.10165	0.8
111.04435	1.4
111.08092	5.0
113.06019	0.8
115.03921	0.5
115.05431	0.6
117.07018	0.5
119.04958	0.7
119.08585	6.5
121.06449	0.4
121.10170	3.2
123.04401	0.7
123.08086	0.8
123.11695	0.6
127.03925	2.5
129.07034	3.3
131.08571	4.8
133.06473	1.0
133.10138	4.4
137.05945	0.6
137.09599	0.9
142.07733	0.9
145.04997	2.3
145.10081	0.7
147.08052	1.4
147.11693	6.5
149.09648	2.9
157.10139	5.4
161.06006	0.8
162.06325	0.4
163.06023	3.1
163.11185	0.5
165.12805	1.7
167.07097	0.5
175.11195	7.7
177.05478	0.9
193.12253	23.7
211.13303	17.4
212.13710	0.4
229.14371	0.4
259.91968	0.4
267.15924	7.2
285.16977	100.0
286.17230	0.9
340.10699	0.3
393.18915	0.4
394.19165	0.4
411.20062	0.7
429.21420	2.1
429.26312	0.4
447.22192	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	643.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.8
53.03950	6.2
55.01871	7.0
55.05522	26.8
57.03452	10.9
57.07084	4.1
61.51258	1.5
65.03938	4.0
67.05511	78.1
69.03432	2.8
69.07076	27.8
69.64307	10.4
71.04992	6.1
77.03882	1.9
79.05502	64.2
81.03419	7.3
81.07066	100.0
83.04980	8.4
83.08635	15.9
85.02893	2.2
85.06556	4.2
91.05488	67.9
93.07054	66.2
95.04999	11.8
95.08614	53.1
97.06550	10.1
97.10176	9.0
99.08083	3.8
105.04533	2.8
105.07043	71.3
107.04948	8.3
107.08605	43.9
109.06530	10.8
109.10176	28.3
111.08096	6.5
115.05447	3.3
117.07025	22.1
119.08595	63.6
121.06531	5.1
121.10163	24.5
123.08099	8.8
123.11702	10.5
125.09651	4.9
128.06274	4.0
129.05455	1.7
129.07033	13.1
130.07767	2.2
131.08586	36.7
133.06573	4.0
133.10153	43.7
135.08087	5.1
135.11716	20.1
137.09633	6.1
139.11259	1.9
141.06998	4.9
142.07832	2.5
143.08565	15.7
145.10141	26.7
147.08049	3.7
147.11708	44.8
149.09637	7.7
149.13275	12.0
151.11183	3.5
155.08543	6.8
157.10147	14.6
159.11717	24.0
161.09625	4.0
161.13266	24.2
163.11232	5.0
163.14859	2.9
165.12779	7.2
167.08694	2.2
167.10564	1.6
169.10156	7.3
171.11694	13.5
173.13235	13.7
175.11197	5.0
175.14832	10.9
177.12772	4.5
179.10861	1.9
183.11742	5.1
185.13258	10.6
187.14854	6.9
189.12811	2.7
191.14349	2.2
195.11722	2.1
197.13301	5.3
199.14838	7.9
201.12816	2.1
201.16492	2.4
207.13783	1.7
209.13324	2.1
211.14867	2.4
213.16451	3.0
215.18031	4.0
229.14281	2.2
229.19510	4.1
231.17581	2.0
231.21075	5.7
235.17088	2.1
239.17923	3.9
241.19536	21.6
247.20686	2.0
255.17375	2.1
257.19034	12.0
259.20593	53.1
261.22079	2.3
267.15891	2.8
269.75302	1.7
273.18442	5.2
275.20105	42.6
277.21576	4.6
291.19495	4.3
293.21234	9.6
297.22308	3.5
313.21503	2.8
315.23257	7.1
333.20395	3.4
333.24274	49.0
335.25839	6.2
347.22058	2.4
349.23865	9.0
351.25043	1.9
365.23242	2.4
367.24823	28.3
445.29974	2.2
446.30182	8.5
458.18118	1.9
464.30908	3.1
501.35223	2.0
513.35858	2.9
515.38007	6.3
525.39734	1.7
527.36816	2.4
533.40131	7.5
551.40796	7.3
575.27875	2.4
607.43781	16.8
625.44788	29.9
643.45569	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	643.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63770	0.9
53.03961	4.5
55.01878	12.6
55.05513	19.3
57.03440	24.2
57.07066	2.2
62.57153	1.2
62.82167	0.9
65.03932	5.7
67.05508	82.4
69.03426	2.9
69.07069	15.3
69.18341	5.5
69.18771	3.2
71.04985	3.5
71.08627	4.2
79.05495	50.8
81.03401	2.6
81.07060	55.9
83.04967	5.0
83.08624	8.4
85.06546	14.6
91.05486	40.3
91.05976	0.7
91.06075	1.1
92.05782	1.3
93.07047	49.6
95.04973	49.1
95.08613	37.4
95.09129	0.6
95.09238	1.2
97.06537	8.1
97.10155	3.9
99.08086	4.0
103.05482	1.1
105.04487	1.9
105.07035	33.0
107.04950	10.9
107.08599	29.7
109.06522	65.1
109.10155	13.8
111.08064	4.1
113.06010	30.4
115.05429	2.5
116.06230	1.0
117.07031	17.7
119.08582	17.3
121.06504	6.9
121.10139	15.4
123.08096	4.2
123.11689	2.7
125.09621	2.5
128.06210	2.9
129.07004	9.8
131.08565	21.8
133.06476	4.1
133.10136	14.0
135.08054	46.3
135.11707	12.5
137.05943	1.5
137.09581	1.7
139.11128	1.2
141.06992	1.1
143.08572	9.5
145.06519	1.0
145.10117	13.9
147.08022	5.7
147.11685	6.8
149.09604	6.2
149.13266	4.2
151.11186	3.0
155.08565	2.5
157.10175	6.5
159.08046	1.6
159.11707	7.9
160.63254	1.2
161.09634	7.6
161.13254	4.1
163.11168	4.6
169.10143	2.1
171.11713	5.8
173.13264	5.0
175.11189	2.7
175.14819	1.7
177.12752	3.6
179.14299	3.8
181.10120	1.4
183.11699	3.2
185.09700	1.2
185.13226	3.3
187.11176	1.5
187.14769	1.4
189.12828	1.6
189.16371	1.8
195.11684	1.6
195.13780	2.4
199.11108	2.0
199.14839	4.0
201.12772	2.8
211.14926	1.4
213.16412	1.4
217.15871	14.3
219.13802	1.5
227.12907	1.2
227.17899	2.2
233.15424	2.0
237.16461	1.9
245.19031	2.5
255.17432	2.7
257.19000	0.9
259.20535	1.2
261.22028	1.7
273.18512	34.7
275.20169	4.9
277.21735	5.0
291.19550	100.0
292.20065	1.1
293.21045	5.3
299.19525	0.9
309.20587	1.9
333.23849	1.0
335.25839	57.7
347.22345	7.4
349.23572	2.7
351.25211	2.5
365.23203	12.7
531.37579	1.5
533.39008	1.1
543.37518	1.2
545.38177	3.8
567.40509	1.8
568.31964	1.1
599.28320	2.6
607.43695	8.2
625.44641	44.2
643.26245	1.6
643.45660	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	643.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.4
55.01869	19.6
55.05513	52.8
57.03437	13.9
57.07070	6.4
59.05000	2.2
65.03932	3.2
67.05506	98.0
69.03428	9.4
69.07066	41.7
71.04993	9.4
71.08630	12.4
71.90065	2.5
78.75198	2.6
79.05066	4.8
79.05495	76.7
81.03419	9.3
81.07060	96.6
82.07368	2.7
83.05001	12.0
83.08624	30.8
85.06543	3.8
91.05486	63.6
93.07047	76.4
95.04959	15.0
95.08607	57.1
97.02948	2.9
97.06545	18.1
97.10170	21.9
99.08101	8.4
105.04536	4.3
105.07032	58.8
107.04958	5.7
107.08601	51.8
109.06531	13.2
109.10167	33.3
111.08076	7.6
115.05429	3.1
117.07009	25.9
119.08579	49.6
120.65335	2.3
121.06496	8.2
121.10151	32.5
123.08068	6.0
123.11710	9.5
125.09613	21.7
128.06227	4.5
129.07001	15.0
131.08568	32.1
133.06491	5.7
133.10135	38.0
135.08043	11.1
135.11682	17.5
137.09634	3.9
139.11160	4.7
141.07005	5.8
143.08559	18.0
145.06485	3.1
145.10121	34.3
147.08064	5.7
147.11681	21.7
149.09662	13.8
149.13261	9.9
151.11162	7.2
153.09094	3.3
155.08559	8.5
157.10120	19.3
159.11697	24.5
161.09659	4.4
161.13258	12.0
163.11203	8.1
165.85849	2.5
169.10167	12.7
171.11656	13.8
173.13193	14.7
175.11259	4.0
175.14801	6.1
177.12740	4.6
179.14311	14.7
181.10129	4.2
183.11731	9.6
185.13289	12.3
187.14856	6.6
189.11224	10.1
189.12712	5.1
195.11778	4.9
197.13261	10.5
199.14851	8.6
201.16312	3.8
203.14465	3.4
209.13283	6.3
211.14825	4.3
213.16438	6.0
215.17990	4.0
221.13213	3.1
223.13188	4.1
225.16391	4.3
227.12761	17.6
227.17943	4.3
229.14275	5.5
229.19553	5.4
239.17932	4.5
241.19498	8.1
245.13802	3.4
245.19051	3.8
253.14339	5.4
253.19489	3.7
257.18909	3.6
259.20590	15.0
261.22012	5.4
263.20291	3.1
267.21143	4.9
273.18622	12.9
275.20016	22.2
277.21658	18.4
281.22601	2.6
291.19553	28.0
293.21136	17.2
299.23541	3.7
301.25140	3.7
313.21552	3.8
315.23352	4.0
333.24252	9.4
335.25766	25.9
347.22015	4.5
349.23798	12.4
351.25381	5.0
365.23254	17.1
365.27914	4.8
367.24722	6.1
381.31476	9.3
403.28159	2.8
453.33600	3.5
513.35565	7.6
515.38409	5.1
525.36121	3.1
527.37317	8.5
531.36957	5.2
543.36444	4.2
545.38483	12.9
551.40997	6.2
569.41473	3.1
597.44965	3.2
599.32373	3.9
607.43500	23.1
625.44666	100.0
626.44336	4.5
643.25586	5.9
643.45618	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	643.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.8
53.03940	5.5
55.01871	8.0
55.05514	29.9
57.03435	12.5
57.07066	4.7
63.35240	1.7
65.03932	6.9
67.05508	73.6
69.03421	3.7
69.07075	29.7
71.04988	6.8
71.08631	2.4
71.53822	3.3
77.03925	2.0
79.05496	61.5
79.05964	3.3
80.05819	2.0
81.03429	4.6
81.07059	100.0
82.07375	2.2
83.04986	9.5
83.08622	20.0
85.06540	3.5
91.05486	69.0
92.05824	2.1
93.07047	61.6
94.07379	2.9
95.04964	12.6
95.08612	52.7
97.06534	20.1
97.10168	5.8
99.08086	5.0
105.07033	62.4
107.04951	8.8
107.08600	42.2
109.06522	11.9
109.10171	25.4
111.04455	1.9
111.08092	6.1
114.90851	1.9
115.05447	2.3
117.07026	21.3
119.08583	53.5
120.08978	2.4
121.06522	5.2
121.10147	27.7
123.08070	9.0
123.11711	11.7
125.09641	6.7
128.06248	3.0
129.07010	13.2
130.07773	2.1
131.08580	34.1
133.10136	44.6
135.08043	7.1
135.11671	18.1
137.09598	6.2
137.13261	2.5
141.06992	2.2
143.08562	14.3
145.06465	2.8
145.10124	29.2
147.08073	3.5
147.11684	36.1
149.09618	8.3
149.13245	10.7
151.11194	4.3
155.08575	6.2
157.10135	13.0
159.11716	21.3
161.09573	4.2
161.13252	20.7
163.11226	8.3
163.14806	5.4
165.12756	6.2
167.08510	2.1
169.10143	7.1
171.11679	12.6
173.09621	2.2
173.13260	16.5
175.11131	3.6
175.14830	11.1
177.12781	3.8
179.10555	2.0
179.14256	1.9
181.10182	3.1
183.11684	7.3
185.13278	9.6
187.11221	2.0
187.14868	5.0
189.11234	2.1
189.12785	4.2
189.16325	2.2
195.11736	2.6
197.13306	6.1
199.14824	5.4
201.12805	2.9
201.16281	3.4
203.14537	1.9
211.14751	2.2
213.16425	4.6
215.17986	4.4
219.17493	1.9
227.12766	4.2
227.17998	2.2
229.14276	2.4
229.19536	2.6
231.21030	2.1
239.17970	5.0
241.19550	16.7
247.20711	2.7
257.19046	11.4
259.20572	32.0
260.20773	1.9
261.22064	3.7
263.19992	2.6
267.16000	2.8
271.05978	1.7
273.18558	5.4
275.20071	42.1
276.20551	5.1
277.21524	5.0
279.15863	1.9
284.03448	2.0
289.21582	3.2
291.19650	5.2
293.21179	6.3
315.23114	5.8
333.24243	39.0
334.24622	2.3
335.25735	7.6
347.21826	1.9
349.23816	13.5
350.23901	3.1
351.25043	8.5
363.25348	2.8
365.23071	5.2
367.24765	21.6
425.16086	4.8
426.16693	3.7
435.32776	2.6
441.19125	7.1
453.15421	3.0
454.16153	2.6
468.17670	2.1
469.18884	10.6
481.15112	8.4
487.34116	2.3
496.17484	6.6
497.17871	4.9
501.35867	3.6
513.35809	3.9
515.37769	7.3
527.37103	7.4
531.36157	2.0
533.39203	5.2
545.38190	6.5
551.40784	5.1
555.22174	6.1
582.24323	3.5
583.21863	48.2
584.21808	7.3
597.26343	2.0
599.27344	2.2
607.43359	15.2
615.23901	2.2
625.44409	43.0
643.24103	37.4
643.45410	18.2
644.24323	6.5
651.13080	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	643.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61028	2.0
53.03945	7.3
54.22598	1.7
55.01876	11.0
55.05515	29.0
57.03436	25.0
57.07075	3.0
57.79704	2.1
65.03930	4.4
67.05511	100.0
69.03419	5.2
69.07072	23.3
71.04988	8.4
71.08635	5.1
79.05499	58.1
81.03432	3.9
81.07063	67.7
83.04960	5.8
83.08631	9.2
85.06548	14.5
87.04462	2.3
88.60548	1.8
89.05982	2.8
91.05485	51.3
93.07053	57.1
93.34699	1.8
93.81633	2.1
95.04976	53.6
95.08611	48.0
97.06525	8.4
97.10184	5.8
98.20785	4.4
99.08075	4.0
105.07039	36.6
107.04965	10.1
107.08599	40.8
109.06528	64.4
109.10158	18.7
111.08106	4.1
113.06007	32.0
115.05415	3.8
117.07029	18.1
119.08588	25.2
121.06498	7.3
121.10136	18.4
123.08090	5.9
123.11708	5.6
128.06212	3.8
129.07048	10.6
131.08574	27.7
133.06483	5.3
133.10158	13.7
135.07117	3.4
135.08069	48.1
135.11728	14.3
137.06009	2.2
137.09575	3.2
142.07860	2.0
143.08565	11.7
145.10126	17.7
147.08052	4.8
147.11688	8.9
149.09608	8.3
149.13249	5.7
151.11212	4.5
155.08578	4.1
157.10130	10.7
158.81348	2.4
159.08087	3.2
159.11716	12.1
161.09651	9.0
161.13263	4.6
163.11157	5.5
169.10188	3.0
171.11699	4.7
173.13289	4.4
175.11116	2.4
177.12744	3.5
179.14355	4.0
183.11659	3.5
185.13284	2.6
187.14735	2.9
189.11247	2.5
195.13811	2.3
199.14911	4.5
217.15904	14.7
227.12665	3.2
229.10103	2.0
229.14270	2.9
233.15430	2.5
237.16356	2.5
245.19022	2.8
255.17459	3.1
259.20474	3.1
259.27142	2.0
261.22128	3.9
273.18515	40.4
275.20090	8.3
277.21686	3.8
291.19577	98.6
293.21106	2.6
335.25815	78.5
347.22205	9.5
349.38760	1.9
351.25134	2.3
365.23279	14.4
423.18167	3.0
545.38092	4.3
567.39673	2.9
607.43549	10.4
625.44574	56.6
643.26874	7.3
643.46161	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	643.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.8
55.01879	11.9
55.05260	2.7
55.05514	27.9
57.03445	11.9
57.07072	6.7
62.23203	1.8
65.03941	3.4
67.05508	97.3
68.05840	1.9
68.12750	1.8
69.03437	5.1
69.07072	35.5
71.04993	7.3
71.08633	28.4
71.54314	3.6
73.87778	1.8
79.05495	76.5
81.03418	11.8
81.07058	100.0
83.04977	12.3
83.08610	16.2
85.02881	2.0
85.06535	5.4
85.10194	2.3
91.04904	2.5
91.05002	1.2
91.05482	65.4
93.07045	83.2
95.04965	20.4
95.08611	57.6
97.06546	16.4
97.10172	10.0
99.08092	18.7
103.05508	2.7
105.07034	45.3
107.04967	18.0
107.08599	49.8
109.06549	10.2
109.10160	31.9
111.04460	3.5
111.08103	7.5
113.09677	4.0
115.05466	3.8
117.07021	13.6
119.04997	2.1
119.08580	35.9
121.06516	11.7
121.10138	29.4
123.08083	8.6
123.11722	6.4
125.09605	4.2
128.06268	4.2
129.07053	10.3
130.07816	2.0
131.08557	22.9
133.06483	6.0
133.10132	39.2
135.08080	10.9
135.11707	30.6
137.06035	2.0
137.09625	5.7
137.13229	2.2
143.08586	9.0
145.06531	3.8
145.10127	18.1
147.08098	6.5
147.11678	14.9
149.09610	11.5
149.13330	10.6
151.11197	16.4
155.08545	3.4
156.54926	1.8
157.10158	5.4
159.08093	2.5
159.11725	11.9
161.09628	8.7
161.13255	13.4
163.11246	7.9
163.14880	2.9
167.10756	2.8
169.10258	3.3
169.12309	3.7
171.11752	6.6
173.13342	5.7
175.11227	5.4
175.14835	2.4
177.09157	1.7
177.12706	10.3
179.14310	51.1
179.15808	3.0
182.80327	2.2
183.11720	2.8
185.13353	4.8
187.14934	3.1
189.12807	3.4
191.14374	2.9
195.13818	4.3
199.11169	2.4
199.14851	2.1
203.14250	2.0
207.13940	2.8
211.14801	3.1
213.16463	2.4
227.12854	2.7
235.16881	2.9
245.19089	10.2
251.12923	3.1
253.14336	17.1
257.19131	3.5
259.20642	2.9
261.22229	4.1
263.20126	4.1
267.16019	5.4
268.16446	3.3
271.15353	3.7
273.18497	31.8
275.20078	24.7
277.21594	45.2
277.24301	2.9
289.17923	2.2
289.85837	1.9
291.19540	32.4
293.21115	43.9
295.22644	3.1
307.77744	2.3
309.20575	3.4
335.25821	37.3
336.26755	2.8
337.27530	4.6
338.27634	3.1
340.18137	2.5
347.22357	8.0
349.23682	15.5
351.25494	10.8
365.23264	26.0
402.84790	2.1
407.22946	3.1
409.20331	3.1
421.24255	3.1
465.23279	4.4
511.27121	6.2
513.35626	2.7
530.39185	4.7
531.41132	12.0
543.36755	4.8
545.38556	10.6
567.29413	10.6
569.27509	2.3
599.32288	50.1
600.32642	5.1
607.43640	3.0
625.44690	47.1
643.31647	5.9
643.45715	72.8
644.46075	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	643.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01878	0.8
55.05513	2.2
56.50015	0.3
57.07075	0.4
57.55532	0.4
62.09814	0.4
67.05506	4.5
69.07089	2.1
69.27328	1.0
69.27729	2.8
71.05008	0.6
75.84240	0.4
79.05497	3.2
81.03433	0.5
81.07060	5.3
83.04957	0.5
83.08603	1.0
89.06037	0.4
91.05485	3.3
93.07045	3.3
95.04975	0.7
95.08617	3.2
97.06540	0.9
97.10164	0.4
99.08082	0.5
105.07022	2.7
107.04958	0.8
107.07291	0.4
107.08579	2.2
109.10168	1.8
111.08089	0.5
113.09712	0.5
117.07048	0.8
119.08601	1.9
120.08068	0.4
121.10155	1.2
125.09631	0.7
129.07011	0.5
131.08595	1.7
133.10126	2.0
135.08067	0.5
135.11734	0.7
137.09689	0.4
143.08601	0.9
145.10158	1.5
147.11661	1.0
149.13243	0.6
151.11272	0.8
155.08517	0.5
157.10181	1.1
159.11742	0.9
161.13307	0.6
168.08098	0.5
169.10202	0.5
171.11737	1.1
172.07596	0.5
173.13206	0.4
175.14861	0.5
179.10788	0.5
179.14374	1.2
207.09218	0.5
209.10793	0.6
223.12355	0.6
225.13913	0.5
237.13925	0.9
239.15421	0.9
247.12444	0.8
249.13878	0.5
251.15469	0.5
260.13251	0.5
261.13956	1.7
261.18457	0.4
262.13507	0.5
263.15424	0.5
273.13757	0.5
273.18442	0.9
275.15524	1.1
275.20081	0.5
276.15222	0.4
288.15237	0.6
289.17105	1.0
290.16388	0.9
291.19479	2.7
293.21191	1.0
300.15219	0.5
314.16681	0.5
326.16699	0.5
335.25784	1.4
338.16635	0.9
340.18204	1.0
342.19806	0.6
352.18091	1.2
354.19644	1.1
362.15497	0.6
363.16275	1.0
365.17755	1.0
365.23383	0.5
366.19418	0.5
368.21329	1.2
375.16571	0.5
376.17004	0.7
377.17584	4.6
378.18594	1.3
379.19244	2.7
380.20529	0.5
381.20779	0.8
391.19299	4.5
392.20142	3.2
393.16351	0.5
393.21097	2.4
394.17676	0.6
395.18710	1.7
405.20837	3.2
406.21725	2.7
407.22601	5.8
408.23486	0.5
409.20209	8.0
409.25269	0.6
419.22302	0.7
421.24066	4.6
422.21643	0.7
423.21793	5.2
424.22351	0.9
437.23700	1.0
440.23428	1.3
449.19806	0.6
450.20657	0.7
451.21109	2.6
464.22083	0.6
465.22885	9.1
466.23502	1.2
467.20361	0.7
477.23160	0.5
478.22781	0.5
479.24609	4.1
480.25412	1.6
481.21533	0.8
482.23248	1.0
489.36047	0.5
493.26028	1.8
494.26596	1.8
495.27979	4.0
496.24615	0.9
497.25635	1.7
501.35483	0.6
502.26843	1.1
503.37851	0.6
507.27509	1.3
511.27164	12.7
523.23132	1.0
525.28857	2.1
526.28687	0.5
531.40851	1.0
535.26880	0.9
537.24884	2.2
538.25891	0.7
539.26294	2.2
541.28223	1.8
551.26447	1.1
551.40063	0.5
552.27295	1.5
553.28436	1.0
555.26318	1.4
567.29706	19.4
568.30078	1.6
569.27313	4.1
583.29285	6.9
584.29956	3.3
599.32288	100.0
600.32568	2.9
607.43408	0.8
611.28687	1.6
625.44397	3.7
643.31213	13.5
643.45972	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	643.24
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11629	0.5
63.18979	0.5
63.79779	0.5
71.34033	0.5
91.05443	0.7
129.54099	0.6
175.53833	0.6
322.81143	0.5
334.49893	0.5
335.82968	0.6
365.93796	0.5
396.12378	0.9
397.12784	1.6
398.14059	0.8
410.13861	2.2
411.14520	5.2
412.15466	3.2
413.16003	1.9
423.14648	1.1
424.11377	1.7
424.15518	2.0
425.16302	10.7
426.17007	7.5
427.17468	2.4
428.18274	2.0
437.16522	1.4
438.12793	1.7
438.17831	0.9
439.13556	12.2
440.19116	5.1
441.19321	35.4
442.19553	1.5
451.18427	0.9
452.14175	3.0
453.15372	17.4
453.24838	0.7
454.16098	4.8
465.15369	0.8
466.12289	1.0
467.17120	26.1
468.17892	15.5
469.18921	12.5
471.16571	0.9
479.17126	0.9
480.16592	0.7
481.14716	14.4
482.15787	3.5
483.16446	0.8
485.18088	0.8
495.17026	2.4
496.17429	10.2
497.18185	1.5
498.18851	0.8
499.19873	1.3
508.19510	0.8
509.18219	2.2
512.20569	1.6
514.22369	2.7
523.19958	2.1
527.23291	3.6
540.20197	0.7
542.21802	0.9
555.22449	31.8
556.22620	2.2
583.21930	100.0
584.22003	5.9
587.25079	2.7
611.21277	1.5
614.23328	1.0
615.24585	14.0
643.24017	77.3
644.24390	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	643.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79604	0.6
53.03941	1.8
55.01880	3.0
55.05271	0.7
55.05516	9.7
57.03443	3.1
57.07069	0.6
61.91983	0.6
65.03941	1.3
66.92991	0.6
67.05510	21.8
68.05839	0.7
69.03430	1.4
69.07072	8.2
69.57848	4.2
71.04982	1.8
71.08641	2.2
79.05061	1.2
79.05497	15.9
81.03426	1.6
81.07063	18.4
82.07386	0.9
83.04984	2.4
83.08625	4.3
85.06556	1.4
91.05486	13.1
93.07049	15.9
93.78738	0.7
94.07403	0.7
95.04972	6.7
95.08612	13.0
97.02896	0.8
97.06549	3.0
97.10178	3.8
99.08084	1.4
105.07038	10.3
106.07336	0.8
107.04949	2.9
107.08603	10.2
108.08923	1.0
109.06535	4.8
109.10169	5.9
111.08115	1.2
113.06004	2.5
117.07025	4.7
118.07375	0.6
119.08591	8.1
120.08920	1.0
121.06552	1.7
121.10145	6.2
123.08095	1.0
123.11730	1.6
125.09641	2.3
129.07028	2.7
131.08560	6.3
132.08089	1.4
133.06494	1.5
133.10139	8.0
134.10466	1.2
135.08083	5.3
135.11722	3.5
137.09651	0.9
141.06984	1.1
143.08563	3.6
144.08069	1.2
145.10143	4.6
146.09634	1.1
147.08057	1.7
147.11696	3.0
149.09627	1.3
149.13248	1.5
151.11217	2.0
155.08574	1.4
157.10168	2.4
159.08052	0.9
159.11719	2.4
161.09645	2.0
161.13258	2.5
163.11185	2.2
164.10791	2.2
165.09210	0.7
169.10176	1.2
171.11760	2.3
173.13307	1.9
175.11235	1.1
175.14868	0.9
179.14352	1.6
183.09058	0.6
183.11705	0.8
185.13300	1.2
187.14891	0.9
189.11299	1.3
197.13293	0.9
201.10274	0.7
207.09294	0.8
209.10802	1.8
209.13110	0.6
217.15939	1.3
221.10846	1.5
222.11615	1.4
223.12291	1.1
224.13193	0.8
225.13844	1.2
227.12811	2.4
233.10736	1.6
235.12431	1.4
237.13878	2.0
239.15572	0.9
245.19052	1.3
249.13933	1.5
251.15515	1.0
253.14403	1.1
253.17003	1.1
259.12378	1.1
259.20587	1.2
260.20932	0.9
261.13986	1.1
261.22092	1.0
263.11572	0.8
263.15536	0.8
263.19995	1.3
264.15091	0.8
273.18546	6.7
274.13467	2.2
275.14664	0.7
275.20154	2.5
276.14929	1.1
277.21674	2.3
290.16653	1.7
291.19604	17.2
291.22824	0.9
292.19901	1.2
293.21036	2.9
295.14664	0.8
298.13403	0.8
300.14902	0.8
301.12173	0.9
302.12955	1.2
304.14581	2.1
309.15985	1.3
313.15808	0.9
314.16553	2.5
316.14551	1.7
317.15558	0.7
318.16022	3.2
323.13550	0.6
324.15118	1.1
325.15744	0.9
326.16562	1.2
327.17401	1.1
328.18149	1.2
330.16199	0.9
332.14102	0.9
332.17737	2.1
335.14307	1.0
335.25842	11.5
336.14905	1.5
337.15424	2.7
338.16464	1.9
339.16852	1.0
340.18280	1.6
347.22247	1.1
348.17535	1.2
349.23596	1.1
350.16248	1.4
351.16650	2.0
351.25455	1.1
352.17722	1.9
353.18027	2.5
354.19528	2.1
356.17453	0.8
362.16656	1.3
363.16473	0.7
364.18094	1.4
365.17883	2.4
365.23306	4.9
366.18933	2.2
367.19720	3.5
376.16904	2.0
378.19461	0.9
379.15341	1.2
379.19553	1.8
380.16397	1.1
380.20776	1.1
381.16595	1.0
381.21298	3.3
382.18954	0.9
383.22269	1.4
387.19485	1.1
391.19940	1.3
392.21085	1.4
393.17160	2.6
393.21466	1.4
394.18121	2.1
395.18585	4.5
395.23083	1.3
397.17703	1.5
398.18884	0.7
399.19086	0.8
400.20245	1.7
401.21237	0.9
402.21606	0.8
405.20984	1.1
406.19464	1.4
407.18839	2.6
408.19650	1.9
409.20209	9.6
409.24493	0.8
410.21304	3.7
411.18311	0.9
412.20499	0.9
414.21906	1.5
416.23547	1.2
419.18625	1.0
420.20822	1.9
421.20541	1.4
422.17743	1.0
423.22049	6.7
424.22693	1.8
425.23312	2.4
426.21466	1.1
427.22061	0.8
428.19421	1.1
435.22702	0.8
436.18774	1.5
437.19556	2.0
437.23804	2.3
438.21133	0.8
439.21719	1.5
440.20663	0.6
442.25375	0.7
443.22113	6.5
446.21442	0.7
449.19775	1.2
451.21378	3.5
452.23135	2.1
453.23273	3.1
454.20212	1.8
455.21985	0.9
461.23441	1.5
464.20654	1.2
465.22614	2.4
466.21500	2.5
467.20245	1.0
467.25140	1.0
468.24420	0.7
469.21716	1.1
469.26147	3.8
470.26602	1.5
477.22861	0.8
479.24838	4.3
480.24786	1.4
481.22473	7.5
482.23257	2.0
483.24057	2.7
490.23090	0.7
493.22009	1.6
494.23877	2.3
495.27652	2.3
496.24695	8.2
497.25629	10.6
503.23996	2.5
507.23947	1.8
508.24823	1.7
509.22034	1.8
510.22842	0.7
510.26660	0.8
511.27441	11.1
512.27899	9.4
513.25299	0.8
521.25879	1.4
522.23987	1.9
523.23541	1.6
524.24304	5.3
527.26538	3.6
528.25031	0.8
531.36823	1.3
537.24622	1.7
539.26697	29.3
540.26892	1.2
541.24530	1.7
545.38556	0.9
553.24255	1.2
555.26526	2.5
556.26898	2.5
557.28076	4.3
567.26080	26.9
571.27826	2.0
581.27594	4.5
582.26007	3.2
583.25787	5.9
584.26709	0.8
597.27521	2.0
599.28687	100.0
600.28625	2.5
601.26575	11.0
607.43475	2.1
611.24878	8.6
615.28204	0.9
624.43475	2.1
625.27631	5.1
625.44379	14.8
643.27716	20.3
643.45044	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	642.53
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.5
53.03947	1.8
55.01854	1.4
55.05265	0.6
55.05510	8.3
57.03440	4.0
57.07075	21.4
65.03934	1.2
67.05505	23.3
67.20808	0.4
69.03407	0.6
69.06731	0.7
69.07071	8.8
70.79074	0.5
71.04984	1.6
71.08630	18.5
79.05020	0.4
79.05490	13.4
81.03419	2.1
81.07056	27.0
83.04976	4.3
83.08617	8.9
85.06526	2.2
85.10176	7.6
87.48186	0.4
91.05479	10.1
93.07042	16.0
93.07632	0.8
95.04978	3.6
95.08603	19.7
97.06529	3.8
97.10155	3.6
99.08094	2.8
103.07585	0.5
105.07027	6.1
107.04916	0.7
107.08598	8.7
109.06506	1.7
109.10149	6.2
111.08092	2.0
111.11716	0.5
113.09592	0.5
117.07010	4.1
119.08573	3.0
121.06499	0.8
121.10142	4.3
123.08064	0.7
123.11729	2.8
125.09647	1.0
129.07019	1.0
131.08563	4.1
133.10138	3.9
135.08043	0.7
135.11679	3.1
137.13246	0.9
139.11179	1.4
145.10138	1.3
147.11681	1.9
149.09570	0.6
149.13260	4.7
151.11151	3.9
157.10104	0.8
159.11641	3.1
161.13255	1.1
163.11159	2.3
165.12810	0.7
165.16498	0.5
167.14346	0.4
173.13249	0.5
175.11249	0.4
175.14807	0.7
177.12737	1.2
179.14348	1.0
185.13194	0.5
195.13815	3.8
213.14920	0.4
227.12834	0.9
229.14288	0.5
233.15445	0.6
239.23686	2.6
241.19456	0.8
251.16420	1.9
257.24658	0.6
259.16058	0.4
259.20602	1.9
269.17459	11.6
277.21643	5.3
293.20975	0.4
313.27365	25.1
314.27756	0.4
316.27216	0.4
333.24475	0.8
341.26910	0.9
351.25299	9.5
369.26328	0.5
411.34592	0.7
467.37210	0.7
491.41095	0.6
507.40442	100.0
508.40704	2.5
589.48273	5.9
607.48999	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01869	1.6
55.05515	6.1
57.03435	1.6
59.04985	0.5
61.02935	2.3
65.03934	0.8
67.05509	14.2
68.05861	0.5
69.03426	0.8
69.07073	6.1
69.24981	4.2
71.04992	1.5
73.02940	0.6
79.05501	12.2
81.03410	1.5
81.07063	13.1
82.07381	0.7
83.04982	1.4
83.08624	3.7
83.34487	0.5
85.02927	2.4
85.06548	1.1
91.03965	0.9
91.05490	16.1
92.05829	0.9
93.07050	12.5
95.04986	3.0
95.08617	10.3
97.02879	1.4
97.06551	2.9
97.10181	1.7
105.04519	0.5
105.07040	14.5
106.07390	0.6
107.04971	2.4
107.08594	7.3
108.08938	0.5
109.06539	1.6
109.10166	4.8
111.04513	0.6
111.08124	0.9
117.07014	7.4
119.04940	0.5
119.08594	11.9
120.08921	0.5
121.06517	1.4
121.10155	5.2
123.08094	1.2
125.09629	1.1
128.06281	1.0
129.07002	5.6
130.07698	0.6
131.08578	14.3
132.08900	0.7
133.06532	1.0
133.10146	6.4
134.10559	0.6
135.08069	1.4
135.11708	1.6
137.09650	1.1
141.07045	1.8
143.08577	5.7
145.06490	0.8
145.10132	8.9
146.10454	0.7
147.08051	1.4
147.11697	3.1
149.09663	2.3
149.13303	1.2
151.11229	0.8
155.08569	2.8
157.10138	3.8
159.08072	0.9
159.11696	3.8
161.09651	0.7
161.13234	1.0
163.11180	0.9
167.08609	1.3
169.10123	2.8
171.11765	3.9
173.09669	0.8
173.13264	1.4
177.12743	0.8
181.10176	1.5
183.11691	1.6
185.13200	2.5
187.14877	1.9
189.11285	0.5
195.11743	1.5
197.13316	2.0
199.14877	0.9
201.12746	0.5
201.16493	0.6
203.14412	0.6
207.13751	0.6
209.13274	1.3
211.14842	1.3
213.16417	0.5
215.14384	1.1
221.13330	0.5
223.14781	1.1
225.16479	0.8
227.14343	0.5
233.15359	0.8
235.17114	0.5
237.16370	0.7
247.16949	1.0
257.18988	0.7
259.17023	1.2
261.18707	0.6
263.38040	0.4
273.18530	0.6
275.19998	2.9
276.20389	2.2
279.49966	0.4
320.67822	0.5
325.25345	0.8
330.13779	0.6
331.13599	0.7
335.23935	1.1
343.26361	1.8
349.23703	0.9
350.23996	1.1
353.24753	3.3
371.25821	4.4
389.26849	4.6
391.96658	0.5
427.28595	0.7
440.44321	0.5
445.29529	100.0
446.29941	1.7
463.30579	21.1
464.31372	0.5
485.29865	0.4
508.71378	0.5
624.43481	1.6
642.30164	2.9
642.44598	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	642.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10344	1.2
52.14843	1.3
53.03938	6.1
55.01876	10.5
55.02103	1.7
55.05267	2.6
55.05513	27.3
57.03439	10.4
57.07073	1.9
65.03933	1.9
67.05509	42.8
68.05823	1.7
69.03425	10.5
69.06731	2.3
69.07072	33.3
70.07417	2.3
71.04995	5.1
71.08627	1.7
79.05497	39.9
81.03423	65.9
81.07059	38.1
82.07393	1.8
83.04975	6.3
83.08619	21.6
84.08994	1.4
85.02882	2.1
85.06543	1.6
91.05488	39.0
92.05828	2.5
93.06477	2.3
93.07049	33.8
94.07348	2.0
95.04971	24.8
95.08609	20.9
96.08936	3.5
97.02888	12.4
97.06538	11.6
97.10173	16.0
98.10481	1.7
99.95650	1.6
105.07036	31.6
105.51778	1.4
106.07343	2.9
107.04962	13.6
107.08604	21.3
108.08926	2.0
109.06484	6.6
109.10164	14.0
111.04420	2.5
111.08083	6.8
115.05441	2.1
115.37042	1.3
117.07028	8.6
119.04940	1.8
119.08577	28.4
121.06508	6.4
121.10140	14.2
122.10419	1.9
123.08064	4.0
123.11684	2.5
125.09634	12.0
129.07005	10.9
131.08592	21.4
132.08913	2.1
133.06482	4.9
133.10144	14.6
133.25085	1.4
134.07355	1.7
134.10497	2.9
135.08069	5.6
135.11684	5.9
137.09610	4.5
141.06940	2.1
142.07747	3.3
143.08528	5.0
145.06479	1.8
145.10100	10.9
146.10446	3.0
147.08029	7.4
147.11684	11.3
148.11913	1.4
149.09639	8.4
149.13284	3.1
151.11194	2.7
153.09119	1.6
155.08577	2.6
156.09314	1.4
157.10121	11.2
159.11742	9.2
161.09566	2.1
161.13243	1.9
163.11198	3.5
165.09059	1.9
165.12704	1.8
169.10136	2.9
171.11700	3.0
173.09505	1.8
173.13199	2.4
175.11217	8.5
176.89954	1.7
177.12694	2.0
181.10092	1.8
183.11761	2.8
185.13263	2.4
187.11255	1.5
189.11211	6.7
189.12708	1.7
193.04993	1.4
193.12253	15.7
195.13800	2.1
197.13235	1.6
197.79587	1.7
199.11215	1.9
205.12262	1.5
211.13219	2.2
219.13824	4.0
223.13275	15.6
227.12807	10.1
227.18137	2.2
229.14296	2.0
249.14896	4.6
256.26419	1.8
257.18933	3.0
267.15927	91.2
273.18539	12.3
275.20096	10.2
276.20425	6.4
283.15402	1.5
291.19537	100.0
313.21716	1.8
331.22736	1.5
349.23752	3.5
350.24054	5.0
365.23267	51.4
370.84000	1.6
385.23776	3.0
445.25754	3.3
459.27469	5.8
465.30038	1.8
477.28604	3.5
512.34094	1.7
523.85175	1.6
529.34949	1.6
539.33875	4.6
544.36969	3.1
557.34766	96.2
558.35266	2.7
579.53265	1.6
624.43420	8.9
642.35217	4.2
642.44763	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	641.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.2
51.62922	1.2
52.68276	1.5
53.03941	5.4
55.01870	9.0
55.05274	1.6
55.05516	21.9
57.03438	30.5
57.07066	2.7
63.18943	1.2
65.03935	4.8
67.05509	73.2
69.03429	2.7
69.07073	20.8
69.67425	1.2
71.04992	4.5
71.53773	2.4
77.03925	2.5
79.05495	50.3
81.03427	8.5
81.07064	56.9
83.04974	5.6
83.08625	10.4
84.07969	1.1
85.06078	1.9
85.06552	27.3
87.04456	1.4
91.05485	50.3
93.07048	46.9
93.07635	2.5
95.01361	2.1
95.04974	46.0
95.08610	35.2
97.06537	11.1
97.10167	4.9
99.04388	1.3
99.08093	4.2
105.07037	53.7
107.04964	13.5
107.08598	28.7
109.05799	2.7
109.06525	45.3
109.10170	13.2
111.08089	4.2
113.06011	100.0
115.05473	3.7
117.07021	23.7
119.08584	34.8
121.06517	5.3
121.10143	14.8
123.04445	2.1
123.08060	8.7
123.11689	4.5
125.09621	4.6
128.05389	1.2
128.06198	6.1
129.05544	2.0
129.07031	17.0
130.07793	2.1
131.00760	1.4
131.08574	33.3
133.06464	2.8
133.10136	29.5
135.08054	30.3
135.11700	10.2
137.09619	3.5
137.46118	1.5
141.06987	5.6
141.09120	1.6
142.07785	2.3
143.08557	16.0
144.09291	1.4
145.06517	3.5
145.10144	25.6
147.08047	5.1
147.11716	16.4
149.09621	9.0
149.13289	7.0
151.11176	1.6
154.07861	1.5
155.08537	7.5
156.09454	1.5
156.50842	1.3
157.10141	15.0
159.08057	4.4
159.11694	23.1
161.09618	9.6
161.13264	11.1
163.11154	5.4
163.97697	1.4
165.09099	2.0
167.08595	3.7
169.10114	9.0
171.10252	2.1
171.11661	12.7
173.09581	2.5
173.13235	9.4
175.11201	3.1
175.14842	7.2
177.12794	3.5
179.08583	1.3
179.14275	2.0
180.09258	1.3
181.10127	4.9
183.11703	6.7
185.09613	2.6
185.11887	1.5
185.13248	8.9
187.11212	5.1
187.14870	3.5
189.11229	1.7
189.12767	2.1
193.10266	1.7
195.11691	7.6
195.13747	2.5
197.13217	4.4
199.14818	5.5
201.12772	3.2
201.16400	3.0
203.14281	1.6
209.13245	3.0
211.14816	4.4
213.16399	3.2
215.14362	1.8
215.17947	2.7
217.15935	8.3
219.13849	1.3
221.13269	2.8
225.16304	2.0
227.12872	1.6
227.17958	2.3
229.19473	1.5
231.21083	2.2
235.14827	2.4
237.16446	3.3
239.17987	2.6
241.14256	1.6
241.19493	6.3
255.17493	3.9
257.19022	5.7
259.20639	12.9
273.18530	16.2
275.20102	15.2
279.15948	11.9
291.19540	45.8
293.21100	1.8
311.23508	2.0
313.21863	1.3
315.23151	3.4
327.26749	3.0
331.22583	1.6
333.24274	21.4
347.22223	5.7
349.23859	6.6
360.60202	1.5
365.23300	12.3
381.27972	1.3
457.31439	1.4
459.32202	1.6
511.37595	3.2
513.36475	7.7
515.33923	1.7
518.40930	1.3
527.37109	1.8
528.82660	1.4
529.38562	2.1
531.37976	6.5
543.36823	3.4
549.39209	4.4
551.37122	2.7
567.40253	4.0
569.38470	2.5
587.41351	1.7
605.42181	10.7
609.23798	1.7
623.43115	76.8
624.42676	2.8
641.27161	4.6
641.44189	37.8
642.44574	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	641.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	12.0
53.46077	1.9
55.01875	21.5
55.05268	2.5
55.05517	35.7
55.05774	1.6
57.03431	18.6
57.07080	2.9
65.03939	8.7
66.04733	1.9
67.05508	94.2
67.77895	2.1
69.03416	6.0
69.07066	29.1
70.64355	6.2
71.04980	5.8
71.08669	2.2
78.39657	1.9
79.05497	100.0
80.06284	2.9
81.03416	14.2
81.07059	79.5
81.78436	2.0
83.01357	2.9
83.04972	23.0
83.08620	14.9
85.02944	2.1
85.06525	4.1
90.14732	2.2
91.05484	90.9
93.07049	94.9
95.04980	45.9
95.08613	60.0
97.02908	4.7
97.06538	10.9
97.10173	5.8
98.07323	3.1
99.08088	4.4
103.05448	4.1
105.04519	5.1
105.07028	69.6
107.04963	72.9
107.08596	43.3
109.06513	24.3
109.10165	25.1
111.04442	7.6
111.08035	4.8
112.05195	4.3
113.06037	2.1
115.05473	6.5
117.07019	31.3
119.04948	4.9
119.08587	36.3
121.06546	14.8
121.10152	34.0
122.07280	15.7
123.04419	7.4
123.08083	10.6
123.11691	3.9
125.05998	3.9
125.09620	4.0
127.07565	2.0
128.06230	6.5
129.06987	20.0
129.45845	1.9
130.07755	3.1
130.62701	2.1
131.04932	4.3
131.08575	34.6
133.06497	26.0
133.10127	22.6
135.04424	4.0
135.08063	13.9
135.11694	16.3
137.05939	3.1
137.09645	3.4
141.06947	4.8
142.07751	2.6
143.08551	9.9
145.06522	15.4
145.10133	21.8
147.08070	23.8
147.11661	17.5
149.09618	11.3
149.13275	7.7
151.07578	5.1
151.11206	2.6
155.08568	7.7
157.10112	8.4
159.08083	7.1
159.11705	15.0
161.09621	18.2
161.13268	6.1
162.10382	5.4
163.11203	8.5
165.06935	2.7
165.09096	2.9
169.10196	6.6
171.11720	10.2
173.09607	2.8
173.13315	10.5
175.11156	6.7
177.12811	5.5
179.14282	4.1
183.11681	4.1
185.13333	4.8
187.14850	3.9
189.12804	2.3
197.13203	2.6
203.14395	4.4
205.15878	4.5
215.14389	3.9
217.15994	2.2
227.12770	4.0
231.13821	3.1
233.15367	17.1
243.13905	3.5
251.16368	4.7
259.20624	2.7
261.14822	5.4
261.18207	3.1
271.17032	3.0
273.18488	12.1
275.20093	7.3
277.21671	2.7
289.17993	7.8
290.18802	14.0
291.19604	10.0
307.19196	5.0
325.20117	5.9
335.25769	4.8
349.23727	3.4
351.25299	2.0
363.21500	2.8
365.23141	2.5
452.20859	2.4
475.21344	3.1
501.54236	2.4
523.27112	2.7
529.38812	19.2
549.24921	7.8
566.24463	2.6
567.40564	19.8
595.39923	51.8
597.26599	3.1
598.27136	14.8
609.25842	2.3
623.42938	13.2
624.43494	2.3
641.28271	4.6
641.32513	2.9
641.44159	58.2
645.64056	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	641.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.7
54.28458	1.5
54.80777	1.2
55.01654	1.7
55.01875	14.1
55.05513	56.3
57.03434	12.5
57.07067	4.6
57.13445	1.2
59.04995	3.2
65.03935	5.3
67.05507	86.8
69.03429	8.9
69.07069	40.7
71.02789	3.1
71.04989	10.5
79.05495	70.3
81.03426	7.6
81.07059	83.7
83.04980	8.6
83.08620	32.7
85.06545	5.6
91.05486	68.5
93.07050	66.8
95.04964	15.6
95.08611	51.0
95.09053	1.2
97.02921	5.5
97.06540	14.3
97.10173	36.4
97.10780	2.8
99.08073	2.7
103.05471	1.9
105.04576	1.7
105.07036	61.8
107.04961	11.2
107.08597	49.8
109.06531	10.6
109.10161	28.3
111.04425	2.4
111.08119	7.9
111.08819	1.8
115.05463	5.6
117.07027	32.5
119.08584	55.3
121.06504	5.4
121.10139	25.5
123.08051	7.3
123.11700	9.0
125.09634	30.2
128.06224	5.6
129.05550	1.6
129.07001	23.6
130.07745	2.6
131.08574	41.5
131.09520	2.6
133.06509	5.6
133.10132	38.0
133.11087	2.4
135.08055	9.1
135.11693	16.3
137.09613	6.7
139.11221	2.3
141.07010	6.9
142.07820	4.7
143.08572	23.2
145.06491	3.9
145.10132	35.7
147.08038	6.5
147.11691	32.3
149.09573	7.1
149.13292	8.7
151.11243	3.3
153.06946	2.3
153.09132	3.9
154.07751	2.1
155.08568	12.2
156.09406	2.9
157.10139	21.2
159.08084	4.0
159.11693	25.6
161.09639	4.8
161.13277	18.0
163.11197	7.3
163.14821	2.9
165.12805	2.0
167.08551	7.2
168.09312	2.8
169.10147	20.0
171.10197	3.9
171.11710	19.9
173.09572	2.1
173.13246	14.2
175.11232	4.3
175.14807	11.4
177.12737	4.2
179.08566	3.7
179.14253	1.6
180.09253	1.6
181.10098	8.8
183.11697	14.8
185.09612	2.0
185.13239	14.9
187.11267	3.3
187.13339	2.2
187.14828	7.3
189.11221	15.9
189.12749	3.0
189.16240	1.6
193.10193	4.5
193.12262	1.8
195.11688	9.2
197.13271	11.3
199.14838	9.0
201.12759	2.4
201.16393	2.9
203.14320	1.8
203.17841	1.5
207.11798	3.3
209.13304	8.0
211.14859	7.3
213.16449	5.2
215.18138	2.0
221.13354	3.5
221.15254	1.6
223.13074	10.6
223.14951	4.7
225.16393	5.5
227.12762	25.9
227.18016	4.6
231.17419	2.0
231.21019	3.0
233.13342	2.4
235.14879	3.4
237.16479	3.2
239.18054	4.8
241.19504	20.9
243.15834	2.6
245.13692	3.8
245.19035	1.8
247.17012	1.5
249.14780	2.4
251.18031	2.3
255.17516	1.9
257.19040	4.8
259.20584	38.2
261.18594	2.3
261.22137	1.7
263.17972	3.0
265.19623	2.2
267.21002	2.8
269.19229	2.0
271.20459	1.9
273.18539	12.0
275.20145	20.2
277.21729	3.1
285.22180	5.4
289.17972	3.8
291.19516	75.0
293.21164	2.3
297.22174	3.4
299.23767	2.3
313.21677	2.9
315.23199	5.1
315.50421	1.7
317.24893	1.8
325.21640	2.3
331.37051	1.5
333.24222	31.3
347.22604	1.9
349.23727	9.5
363.21997	1.6
363.26801	5.8
365.23242	35.4
379.30054	6.6
381.27887	4.2
397.31155	4.0
403.19345	2.3
417.20795	2.2
419.29477	1.8
429.21048	3.4
430.21677	2.6
433.24271	3.6
433.30838	2.8
437.30530	3.3
444.23196	2.3
445.23914	1.9
459.21820	2.2
460.22610	1.7
462.20331	3.0
463.21097	2.8
475.21347	2.5
477.22745	12.2
487.24683	4.0
491.24631	3.1
511.33984	7.7
513.37109	5.8
525.35791	8.2
529.35004	8.5
531.38586	6.8
535.23639	1.7
543.36871	9.5
545.25354	4.2
547.27081	10.2
549.24860	6.6
549.39490	5.9
550.25647	7.9
563.26978	2.5
567.40247	5.0
577.27673	1.7
579.29779	4.1
587.41138	2.2
591.25378	8.6
595.43286	4.4
599.27643	4.4
605.27734	10.8
605.42108	21.6
609.27417	2.5
623.28674	61.7
623.43085	100.0
624.28815	5.2
633.22015	1.9
641.28723	4.9
641.44104	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	641.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.6
55.01875	15.5
55.05266	3.4
55.05513	42.5
57.03440	14.7
57.07084	3.4
65.03924	4.8
66.10647	1.9
67.05510	100.0
68.99786	2.7
69.03429	4.0
69.06725	3.2
69.07073	39.0
70.54669	2.0
70.72884	1.8
71.04998	9.8
71.08627	4.2
72.08167	3.6
79.05499	76.1
81.03420	8.3
81.06584	4.7
81.07064	94.2
83.04994	9.1
83.08619	21.2
85.06551	8.0
86.09706	4.1
87.10020	2.4
91.05484	94.3
93.07046	78.6
95.04985	22.5
95.08617	60.3
97.06548	17.9
97.10194	8.9
99.04457	2.6
99.08088	4.6
100.11266	24.9
101.11613	8.7
103.05492	2.6
105.04501	2.4
105.07041	74.6
107.04952	22.4
107.08604	46.5
108.08940	2.4
109.06521	18.8
109.10161	32.2
111.04476	2.7
111.08098	11.3
113.06001	15.4
115.05457	3.7
117.07024	32.0
119.04952	2.5
119.08583	61.4
121.06514	11.9
121.10146	23.8
123.04497	4.0
123.08060	12.7
123.11748	9.2
125.09655	8.0
127.07568	2.0
128.06264	7.7
129.06995	20.6
131.08580	51.8
133.06532	6.8
133.10146	55.5
135.08113	13.6
135.11707	21.9
137.09648	4.1
139.07590	3.1
139.11182	2.2
141.07014	7.1
142.07820	4.6
143.08575	24.1
145.06528	5.7
145.10143	35.3
147.08089	9.4
147.11687	27.5
147.12621	2.6
149.09624	14.0
149.13324	7.3
151.11192	13.9
155.07390	1.7
155.08537	11.4
157.06528	3.1
157.10152	21.1
159.08102	3.6
159.11708	27.7
161.09624	9.8
161.13280	21.1
163.11131	10.3
163.14824	3.6
165.07129	2.3
167.08633	3.4
169.10127	13.8
171.11688	25.3
173.09656	4.7
173.13269	15.9
175.11259	5.6
175.14838	10.0
177.12804	5.4
179.08429	2.2
179.14395	4.4
181.10150	7.2
183.11707	14.3
185.13232	18.5
187.11220	4.3
187.14871	10.6
189.12753	3.4
189.16510	2.4
191.08562	2.2
193.10220	2.8
193.12227	2.2
195.11748	10.1
197.13327	11.9
199.11192	4.1
199.14914	8.8
201.12793	2.6
203.18138	2.2
205.12289	2.2
207.11765	3.1
209.13321	7.0
211.14944	7.4
213.16499	4.1
215.18065	2.7
217.15822	2.7
221.13403	3.0
223.14992	3.6
225.16478	4.1
227.12750	2.6
227.17982	6.2
229.16078	2.6
229.19545	3.1
229.76512	2.6
235.14983	2.6
237.16457	4.9
239.18071	2.9
241.19624	9.1
245.19084	4.3
253.14293	13.2
253.19933	2.3
257.18970	11.1
259.20618	17.5
263.20215	3.1
273.18430	14.8
275.20090	21.3
283.20609	2.4
287.20023	2.8
289.18195	5.0
291.19537	23.6
293.21240	4.8
315.23312	4.4
321.22659	2.3
327.26807	2.7
328.23123	2.9
331.22772	2.1
333.24292	14.5
349.23886	9.7
365.23227	11.3
395.29459	4.4
409.31232	8.5
427.32379	4.0
437.30237	3.4
465.33615	2.2
469.33649	2.9
483.35031	8.3
487.34320	15.1
501.35822	23.7
503.37787	6.0
511.34540	7.5
513.36725	4.6
525.36145	6.5
527.36865	2.5
529.35754	7.5
531.38318	6.9
543.36993	7.1
549.39575	8.9
567.40588	7.2
595.41675	6.1
605.41772	17.9
613.44427	12.1
623.43115	70.5
641.30200	4.1
641.44141	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	641.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00485	0.3
50.44093	0.3
51.90813	0.3
53.03956	0.6
55.01877	0.9
55.05516	1.9
57.03452	1.4
65.03938	0.5
66.04749	0.3
67.05512	4.6
69.07086	1.3
71.05003	0.5
71.34013	0.3
79.05497	3.7
79.62486	0.3
80.64700	0.3
81.03430	0.6
81.07071	4.0
83.04991	0.7
83.08632	0.7
85.06561	1.3
91.05486	3.7
93.07043	2.8
93.07439	0.2
94.07410	0.3
95.04977	2.9
95.08608	2.4
97.06542	1.0
97.10182	0.4
98.20719	0.7
103.05440	0.4
105.07035	3.9
107.04974	1.2
107.08625	2.3
107.19713	0.3
109.06511	1.9
109.10185	0.9
111.08160	0.3
113.06025	4.1
115.05509	0.3
117.07053	1.2
119.08608	2.2
121.06544	0.3
121.10180	1.1
123.08100	0.3
125.09618	0.4
128.06328	0.4
129.07043	1.0
131.08618	1.9
133.06625	0.3
133.10115	1.7
135.08109	1.1
135.11723	0.9
141.07019	0.4
143.08620	1.0
145.10106	1.9
147.11731	1.2
149.09636	0.5
155.08643	0.4
157.10173	0.9
159.08133	0.5
159.11758	1.2
161.09659	0.5
161.13292	0.5
163.11276	0.6
169.10153	0.4
171.11812	0.8
173.13377	0.6
181.10214	0.4
183.11766	0.6
185.09598	0.4
185.13268	0.6
195.11818	0.5
197.13422	0.4
204.06653	0.4
209.10718	0.4
223.12424	0.9
224.13184	0.4
225.10374	0.5
235.12299	0.4
237.10294	0.3
237.13969	0.9
237.16458	0.5
238.14647	0.7
239.11835	0.4
241.13522	0.4
241.19661	0.4
249.10257	0.4
249.14055	0.4
251.11926	0.5
251.15504	0.7
257.19061	0.6
259.20691	0.6
264.12469	0.3
269.13016	0.4
273.18744	0.7
275.20065	2.5
279.15970	0.5
291.19531	1.8
311.14334	0.5
312.14868	0.3
314.12894	0.5
314.16486	0.4
315.23306	0.4
325.15582	0.5
328.14633	0.7
328.18179	0.7
333.24451	0.9
338.16681	0.5
339.13556	0.3
342.16162	0.4
349.24026	1.1
356.17780	0.4
364.18091	0.4
365.23410	0.4
368.17828	0.6
371.20264	0.5
372.17255	0.7
375.17270	0.3
377.17770	0.4
386.18619	0.6
390.18616	0.6
391.19315	1.1
396.17184	1.1
402.18204	0.5
403.15094	0.5
404.16150	0.6
405.16742	0.7
405.21320	0.7
406.21674	1.1
407.22528	0.5
412.20346	1.1
414.18024	0.7
415.19232	0.6
417.17322	0.6
418.18091	1.0
419.18359	1.8
420.19250	0.8
430.21390	4.6
431.18408	0.6
432.15179	0.5
432.20123	0.7
433.20233	3.4
434.21133	1.8
435.21991	0.9
436.18970	0.4
437.19748	0.4
445.20316	0.8
446.17056	0.6
447.18030	1.5
447.22437	1.6
448.22668	1.1
449.23663	1.2
450.21100	0.4
453.17618	0.3
459.22278	0.6
460.18240	0.5
461.19653	10.5
462.20416	3.6
463.21234	1.3
465.19193	1.5
467.24503	1.9
475.21414	1.2
476.22311	2.4
477.22842	3.4
479.20032	1.4
480.21774	0.9
481.22546	0.4
489.23013	0.5
493.21890	1.7
494.23099	3.3
495.24149	1.9
504.22748	0.4
505.21725	0.6
506.23434	0.8
507.24115	0.5
508.25388	0.5
517.22632	0.4
520.24200	0.4
521.22528	1.3
533.21765	0.7
535.26727	1.1
537.25037	0.9
539.23602	0.5
548.24390	2.9
549.25238	1.5
553.28186	1.4
563.26654	5.7
564.25677	0.6
565.24506	2.4
576.24072	0.7
580.23596	0.4
581.27704	10.4
591.22723	1.1
593.24066	0.4
594.27051	0.4
595.26392	0.4
597.27191	0.8
608.26526	2.4
609.23364	3.1
623.25049	4.3
623.42700	3.0
624.27039	0.7
641.29767	100.0
642.29822	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	641.2973
Annotation	Crooksiine
Peak:m/z	Relative Intensity
52.85724	0.2
53.03964	0.2
55.01875	0.9
55.05519	1.3
57.03439	0.3
67.05226	0.2
67.05513	2.6
69.07079	1.2
70.18851	0.6
79.05501	2.7
81.03403	0.4
81.07056	2.6
83.08616	0.5
91.05498	2.3
93.07047	2.0
95.04961	0.5
95.08620	1.7
97.06554	0.7
97.10162	0.7
105.07048	2.1
107.04967	0.8
107.08589	2.2
109.06544	0.3
109.10201	0.6
113.06029	0.2
117.07015	0.7
119.08585	1.3
119.31790	0.2
121.10161	0.6
123.08115	0.2
123.11704	0.4
125.09618	0.6
129.07024	0.5
131.08571	1.0
133.10078	1.2
134.37859	0.2
135.08086	0.5
135.11728	0.4
145.10135	0.8
147.11722	0.6
149.09636	0.7
155.08549	0.3
157.10184	0.4
159.11703	0.8
161.13268	0.3
163.11230	0.4
169.10168	0.4
171.11668	0.4
173.11772	0.3
173.13194	0.3
175.11249	0.2
179.14240	0.5
183.11722	0.4
189.11163	0.3
197.13293	0.5
209.34657	0.2
211.14899	0.3
213.16484	0.3
221.15341	0.3
227.12836	0.6
229.19623	0.2
239.12042	0.2
257.19086	0.6
261.20767	0.3
275.20093	2.5
293.21164	0.4
300.54529	0.2
314.13254	0.3
328.14438	0.2
349.23709	1.7
353.80609	0.2
363.16019	0.3
377.17728	0.3
379.19284	1.1
380.19693	0.2
390.18515	0.4
391.19370	1.2
392.20074	0.8
393.20959	1.5
395.22336	0.6
404.20239	0.4
405.16519	1.7
405.21112	0.7
406.17233	1.1
406.22391	0.3
407.18542	0.7
407.22824	3.8
408.23288	0.6
409.24219	0.3
418.17639	0.5
419.18411	3.3
420.19159	1.8
421.20370	4.8
423.22064	1.0
432.19632	0.3
433.20264	4.5
434.21451	3.7
435.21948	6.8
436.22659	1.2
447.22565	1.5
448.22623	0.7
449.19571	8.4
450.20587	0.6
451.21399	0.7
455.42450	0.2
459.21829	0.3
461.24118	0.5
462.20645	0.7
463.21106	3.5
464.22128	1.6
465.18500	0.5
467.24805	0.9
475.21417	0.5
477.23145	0.6
479.20773	1.0
480.21677	0.5
481.22217	1.7
489.22440	0.4
491.24319	0.2
493.21689	2.4
494.23065	2.9
495.23654	2.9
507.23877	1.7
509.25299	0.3
511.23193	0.4
521.25690	9.5
522.26294	0.6
523.26971	0.7
526.25964	0.5
535.23627	0.9
539.22192	1.4
543.36615	0.5
549.24945	0.8
550.25928	0.4
551.26263	0.3
553.27563	0.9
563.26715	1.4
567.26373	0.4
580.26117	0.3
581.27661	19.7
582.28094	0.7
595.25476	0.4
605.42261	0.3
609.27429	0.6
613.29779	0.4
623.43115	1.4
641.29718	100.0
642.29816	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	641.2971
Annotation	Crooksiine
Peak:m/z	Relative Intensity
50.08719	0.3
53.03933	0.7
55.01871	2.6
55.05513	4.0
57.03439	1.1
65.03960	0.5
67.05512	7.4
68.11691	0.4
69.07068	3.5
70.78413	1.0
71.04993	0.8
79.05495	6.1
80.05044	0.4
81.03425	0.6
81.07063	8.2
83.04987	1.3
83.08628	1.5
85.06508	0.7
91.05486	5.6
93.07051	6.3
95.04969	1.4
95.08617	5.1
97.06535	3.6
97.10179	1.4
105.07034	6.1
107.04964	1.3
107.08607	3.8
108.08099	0.6
109.06558	1.1
109.10158	2.7
117.07014	2.3
119.08587	5.2
121.06539	0.5
121.10188	2.3
123.11689	0.6
125.09650	1.1
128.06181	0.6
129.07002	1.0
131.08582	3.2
133.10143	4.2
135.08073	0.7
135.11696	0.9
137.09650	0.5
141.07047	0.6
143.08554	1.7
145.10107	3.0
147.11697	1.8
149.09637	1.8
149.13229	0.7
155.08621	0.6
157.10121	1.2
158.08398	0.5
158.09644	0.6
159.08118	0.5
159.11723	1.6
160.07643	0.5
161.13264	1.3
163.11218	0.7
165.12761	0.5
169.10207	0.8
170.09700	0.5
171.11752	0.7
173.10722	0.5
173.13274	1.2
175.14755	0.8
177.12706	0.4
179.14392	0.7
182.09669	0.7
183.11780	0.7
185.10773	1.1
185.13295	0.6
187.11198	0.5
187.14787	0.4
188.03416	0.5
189.11259	0.5
194.09856	0.6
196.09981	0.6
197.10814	1.5
197.13237	0.6
198.11443	0.8
208.11325	0.5
209.10861	1.7
210.11508	1.1
211.12338	1.9
212.13075	0.5
213.14182	0.5
213.16318	0.5
221.10661	0.9
222.11324	0.8
223.12286	1.2
224.13144	1.4
225.13899	3.0
227.11691	1.3
235.12292	0.5
236.10703	0.4
237.13976	1.7
238.14590	1.2
239.11816	1.6
239.15497	2.2
239.17818	0.9
240.06676	0.5
240.16183	0.5
247.12419	0.8
249.14091	0.6
251.15526	1.8
252.36436	0.4
257.19031	0.6
259.20575	0.6
263.14969	0.4
269.12833	0.7
275.14047	0.7
275.20093	6.6
276.15137	0.8
277.05978	0.6
277.16513	0.5
279.11469	0.6
286.13794	0.5
288.15253	0.6
289.17783	0.4
289.21384	0.5
290.16653	1.9
291.19577	1.5
292.18112	1.2
293.21228	0.6
300.15347	0.5
304.14740	0.9
304.18259	1.5
305.15756	0.6
305.19049	1.8
307.10825	1.2
312.14993	0.6
313.15714	2.0
314.16449	0.6
315.17905	0.5
316.18054	0.9
317.15671	0.5
318.16095	1.6
319.16855	1.6
320.17584	0.6
321.12241	0.7
326.13068	0.5
330.16245	1.0
331.17148	1.0
332.17621	1.3
333.18405	0.7
333.24203	0.7
334.19147	1.8
335.25912	1.4
342.16086	0.7
344.17740	1.2
345.18607	0.8
346.19171	1.3
349.23691	3.6
354.12411	1.0
356.17792	0.7
358.19437	0.9
360.20828	0.9
365.23343	0.5
373.19080	0.7
374.18674	1.3
375.19702	1.0
378.18753	0.6
382.11395	0.5
384.17215	2.7
385.19116	0.5
386.18274	0.5
389.17770	0.8
391.19354	1.2
392.20316	2.7
393.20779	2.3
402.21771	0.5
403.19119	1.7
404.20016	1.5
405.21213	2.0
406.21478	4.9
407.22226	5.7
408.22980	1.5
412.16458	3.0
414.14200	0.5
415.19293	1.4
416.20016	0.8
417.20944	2.0
418.21863	1.2
419.22427	2.6
420.23431	3.3
421.23798	7.7
422.24442	8.5
426.18076	1.4
427.19067	0.7
428.20239	0.7
429.20926	1.5
430.22256	0.7
431.18265	0.7
431.23157	0.8
433.16064	0.7
433.23929	1.5
434.18195	0.9
434.24451	6.4
435.21927	1.7
444.18945	4.7
445.24326	1.3
446.17084	0.5
446.24881	0.5
447.17059	0.6
448.19656	0.7
449.23383	1.0
458.20279	0.9
459.22070	1.5
460.22983	1.0
461.18509	0.6
461.24100	1.1
462.19803	2.5
463.21204	9.6
466.23917	0.6
471.21585	0.6
472.22403	0.6
473.23346	1.4
475.21274	4.5
476.20151	2.5
477.23001	5.1
479.24985	0.6
485.23459	1.0
487.25055	2.3
489.23654	2.0
491.24472	2.9
494.27374	2.4
495.27460	1.8
503.24585	0.5
505.26373	0.7
508.22565	1.4
517.22076	0.7
518.23608	1.0
519.20160	0.7
519.27612	0.7
520.21893	0.5
520.24878	0.5
521.26099	0.8
522.26392	0.7
523.27271	1.2
531.23694	1.2
532.24780	0.5
533.21356	0.6
534.22284	1.2
535.22937	1.1
543.20343	0.6
543.36865	1.2
545.25586	7.6
547.19867	0.4
547.27124	7.3
548.24463	0.9
549.25067	14.5
550.25635	5.1
559.23309	1.0
561.21533	1.8
563.26495	5.6
564.26929	1.3
565.27991	1.8
573.24420	0.6
576.24036	1.6
579.29578	1.5
581.27783	2.0
591.26068	36.9
594.25446	0.5
595.29114	1.6
605.27600	6.0
608.26672	0.7
609.27106	15.5
623.28668	100.0
623.42902	3.2
624.28918	1.6
641.29797	20.1
641.43604	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2621
Annotation	Swietephragmin G
Peak:m/z	Relative Intensity
53.03934	2.4
54.53331	1.9
55.01866	7.2
55.05515	13.6
57.03442	5.7
67.05513	28.4
69.03425	5.7
69.07081	12.3
69.40653	12.4
71.04985	4.9
78.07780	1.8
79.05500	20.7
79.23830	1.7
81.03433	12.0
81.07063	32.3
83.04980	5.1
83.08618	7.2
91.05490	24.9
93.07053	24.2
95.04960	4.1
95.08634	16.2
97.06530	9.4
97.10172	3.1
105.07053	17.7
107.04948	6.5
107.08602	13.7
108.08869	1.8
109.02908	2.8
109.06521	4.9
109.10155	6.5
111.99251	1.8
115.05425	2.3
117.07008	6.4
119.08614	15.7
121.06497	2.9
121.10156	5.5
123.11668	4.1
127.03914	3.0
129.07033	5.6
131.08597	11.6
133.10164	9.3
135.08147	3.2
135.11670	2.0
143.08566	3.2
144.08115	1.8
145.10133	6.9
147.11676	7.5
149.09554	4.7
149.13231	3.1
151.11195	2.6
157.10127	3.8
159.07962	1.8
159.11694	6.7
161.13271	4.4
163.11154	3.4
165.12720	2.6
171.11635	2.3
179.14349	2.8
185.13228	1.8
197.10680	1.8
197.13248	2.9
209.10748	2.1
223.12317	5.5
225.13898	2.5
227.11847	4.0
234.82443	1.8
235.12305	3.3
236.13011	2.2
237.13889	8.4
237.16010	1.9
238.14676	7.0
239.08133	2.5
239.15321	4.4
241.09737	1.9
251.15489	5.7
253.16978	1.9
257.18924	3.3
261.13889	2.4
262.14917	2.1
265.09830	2.1
267.15598	2.7
269.12927	2.7
269.17276	3.2
275.20102	22.4
275.85495	2.0
283.14426	2.5
312.14877	3.6
326.16296	2.4
327.17172	2.1
339.09744	8.4
349.23795	10.3
353.18945	2.7
367.09195	5.3
367.19501	1.8
370.15488	2.1
372.17014	3.7
385.10257	2.3
386.18362	3.4
387.19458	2.8
396.17209	5.9
412.14905	2.1
412.20340	7.2
414.18289	2.5
430.21310	24.1
461.19620	3.4
463.21698	2.4
475.21619	2.6
477.23257	2.7
478.23419	3.5
479.29074	2.0
491.20343	4.0
504.22000	2.5
505.22467	3.4
506.22708	1.9
519.24170	3.6
521.21893	5.7
522.22882	2.2
535.23987	2.4
537.24664	7.5
543.37036	8.7
547.23956	2.1
549.23596	3.3
550.22144	4.4
551.26318	4.2
565.24536	26.9
579.26050	3.2
580.23718	8.6
581.24072	4.0
591.22119	6.7
595.25220	3.9
597.26978	37.3
599.28198	2.2
609.23639	8.2
623.24988	50.1
623.33209	2.0
623.42236	10.2
641.26038	100.0
641.42371	10.6
642.26166	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	641.2971
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
55.01867	0.6
55.05514	1.7
55.94173	0.3
57.03444	0.6
67.05511	3.4
69.07069	1.7
79.05495	2.8
81.03405	0.4
81.07061	3.1
83.04987	0.3
83.08614	0.5
85.06556	0.4
91.05488	2.7
93.07042	2.8
94.06648	0.3
95.04989	0.5
95.08615	1.5
97.06526	1.0
98.20704	0.6
105.04576	0.3
105.07033	2.8
107.05006	0.6
107.08593	2.0
108.08159	0.3
109.06534	0.6
109.10152	0.8
111.70784	0.3
117.07034	0.8
119.08619	1.5
120.04443	0.4
120.08113	0.3
121.10178	1.0
123.08101	0.5
123.11745	0.3
125.09667	0.3
128.06203	0.3
129.07010	0.6
131.08548	1.3
133.10156	1.7
135.08070	0.6
135.11681	0.6
137.09634	0.4
143.08533	0.7
145.10162	1.2
146.05914	0.3
147.11697	1.0
149.09674	0.8
149.13228	0.3
157.10133	0.6
159.11722	0.7
161.13307	0.4
163.11169	0.4
169.10201	0.5
171.11659	0.6
175.10974	0.3
183.11748	0.6
185.10793	0.4
188.03407	0.5
194.09622	0.3
196.09930	0.5
197.10764	0.8
207.09140	0.3
208.11313	0.5
209.10812	0.8
210.11636	0.8
211.12337	1.5
212.13062	0.5
221.10741	0.3
223.12367	1.3
224.09615	0.3
224.13126	0.9
225.13864	1.7
226.14780	0.4
227.11906	0.8
234.11557	0.4
235.12404	0.6
237.10225	0.6
237.13936	1.2
238.14668	1.1
239.11810	0.6
239.15483	1.8
240.16133	0.3
249.13890	0.6
251.15393	0.5
252.16357	0.3
253.13127	0.3
255.11197	0.3
257.19000	0.4
263.15051	0.3
273.18500	0.3
275.15396	0.4
275.20117	3.2
275.39014	0.3
281.12909	0.5
287.15207	0.4
290.13168	0.3
290.16708	0.4
298.13898	0.3
299.15298	0.4
300.15250	0.6
302.13364	0.4
302.16669	0.4
304.14517	0.8
304.18024	0.3
305.15170	0.6
307.10864	0.5
312.15015	0.4
313.15619	1.1
314.16647	0.4
316.14703	0.4
318.16113	1.4
319.16901	0.9
326.13147	0.3
329.16370	0.5
330.16165	0.7
331.17130	0.7
332.17618	1.0
333.18423	0.7
334.19168	0.8
340.14575	0.4
342.16162	0.4
344.17740	0.8
346.19199	0.8
348.20987	0.3
349.23926	1.1
354.12460	0.7
358.19507	0.4
360.20905	0.7
362.21829	0.3
369.14874	0.4
374.18707	0.7
375.19601	0.5
378.18640	0.3
384.17130	1.7
389.17572	1.0
390.22299	0.5
391.19122	1.0
392.19849	2.2
393.20767	1.1
401.17722	0.7
402.18655	1.1
403.19385	2.0
404.20078	1.5
405.21054	2.0
406.21375	3.1
407.22104	4.7
408.23218	0.5
412.16580	1.9
413.17349	0.4
414.14377	0.4
415.19437	2.0
416.20123	1.8
417.20963	3.7
418.21609	2.3
419.22531	2.4
420.23209	1.8
421.23801	4.5
422.24423	5.7
426.18176	0.4
427.19424	0.8
428.20236	0.4
429.15720	0.5
429.21347	2.3
430.22104	1.9
431.22888	3.4
432.23166	1.2
433.24048	6.0
434.24600	4.3
435.21979	1.6
443.22424	1.0
444.18381	3.0
444.23901	1.2
445.24973	3.4
446.24664	1.0
447.17429	0.4
447.25659	1.1
448.26788	0.4
449.23593	2.0
457.19925	0.8
458.20377	0.6
458.25201	0.9
459.20975	3.3
460.22549	2.5
461.18982	1.9
462.20447	3.8
463.21140	3.3
464.22272	0.4
472.22607	0.9
473.23511	3.6
474.24646	2.3
475.21100	4.2
476.22299	2.0
477.22964	13.5
485.23462	1.5
486.24194	0.4
487.25116	5.0
488.25888	0.4
489.23306	1.5
490.23761	0.5
491.24408	3.5
492.25610	0.6
494.26505	0.7
503.24472	1.3
504.25168	1.2
505.26263	2.2
506.27109	2.4
513.22919	0.4
515.24658	2.0
517.22864	0.9
518.23145	0.8
519.27667	2.5
520.20477	0.4
521.21832	0.4
523.27075	0.7
531.23834	0.8
532.24780	1.2
533.25739	0.4
534.22546	0.5
535.22772	2.8
543.37292	0.5
545.25568	7.4
545.33606	0.5
546.25970	0.8
547.27094	14.0
549.25024	10.0
550.25757	15.3
551.26239	0.4
561.21295	0.4
563.26587	2.9
564.27441	2.5
565.28265	0.6
573.24988	0.5
577.28174	1.5
579.29718	6.0
580.22375	0.4
581.27295	0.6
591.16553	0.6
591.26062	11.2
592.26392	0.3
595.29340	0.4
605.27606	15.7
606.27832	0.4
609.27167	9.4
623.28656	100.0
624.28851	2.2
641.29639	7.8
641.44385	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34656	2.5
53.03931	5.5
53.65609	2.5
55.01859	2.5
55.05507	19.8
57.03435	14.0
57.06833	3.4
57.07082	50.4
58.87342	2.4
65.03942	3.4
65.52067	2.4
67.05173	3.9
67.05508	61.4
69.07072	30.5
71.08635	32.5
79.05498	37.2
81.03391	6.7
81.07059	65.8
83.04971	7.2
83.08633	23.2
85.06528	3.4
85.10184	23.1
91.05491	44.3
93.06486	4.0
93.07046	47.8
93.97638	2.4
95.04981	12.4
95.08050	4.6
95.08611	51.6
97.06519	10.1
97.10155	10.9
98.09669	6.2
105.04539	2.7
105.07036	45.3
107.08588	24.6
109.10175	24.1
111.08095	4.3
117.07034	17.7
119.08587	29.8
121.06506	3.3
121.10158	12.7
123.08071	5.4
123.11707	7.5
128.55681	2.6
129.06967	5.7
131.08588	20.6
133.10141	32.5
134.77658	2.8
135.08057	4.8
135.11713	12.8
143.08554	4.3
145.10120	13.9
147.11674	17.2
149.09627	5.1
149.13281	15.6
151.11203	4.8
157.10071	4.2
159.11668	20.0
161.13257	7.9
163.11264	3.4
173.13283	5.8
175.14854	5.9
177.12730	7.4
195.13786	7.4
237.39569	2.6
239.23619	12.1
241.19482	8.7
257.18973	6.4
259.20645	31.6
275.20065	21.9
287.46957	2.6
293.21112	6.2
313.27374	79.2
333.24277	21.6
341.27063	3.1
349.23730	11.4
507.40472	100.0
507.47986	5.3
571.46625	4.5
589.48090	6.0
605.47620	4.3
627.33478	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	640.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60144	1.2
53.03942	2.4
55.01872	2.5
55.05512	18.8
57.03442	10.8
57.07080	43.5
63.67466	1.1
65.03925	3.0
67.05510	51.0
69.03438	2.1
69.07073	25.6
69.26882	7.9
69.27288	3.0
71.04986	2.8
71.08637	29.2
79.05499	36.1
81.03424	4.8
81.07063	57.4
83.04985	6.6
83.08625	15.8
85.06537	2.3
85.10182	16.1
89.06031	1.2
91.04974	2.1
91.05493	29.2
93.07047	40.0
95.04968	7.0
95.08614	40.3
97.06547	9.1
97.10177	7.7
99.08080	1.6
99.11758	1.6
103.05464	1.2
105.07037	26.0
107.04983	3.5
107.08596	18.9
109.06539	5.2
109.10162	14.2
111.08097	2.7
111.11707	1.4
117.07027	12.3
117.84074	1.1
119.08600	16.7
121.06511	2.9
121.10152	10.3
123.08104	2.8
123.11699	3.9
125.09652	2.2
129.06984	2.8
131.08577	13.3
133.10138	13.3
135.08078	3.3
135.11702	9.1
137.09615	3.2
137.13223	1.6
141.06999	1.4
143.08536	2.7
144.09349	1.4
145.10133	9.9
147.11728	7.3
149.09641	7.0
149.13214	5.9
151.11153	2.0
157.10158	3.3
159.11702	8.0
161.09647	1.2
161.13261	1.8
163.11179	4.6
173.13284	2.4
177.12750	3.0
179.14256	1.6
183.11670	1.2
195.13812	5.3
199.14828	1.4
209.09668	1.2
217.15904	2.5
239.17882	2.3
239.23737	4.2
247.20670	1.6
251.16660	2.0
253.14330	1.4
255.15923	13.9
257.19034	8.2
267.16068	1.9
269.17493	18.8
275.17532	1.0
275.20071	29.8
291.19632	2.0
293.21033	2.4
309.20798	2.0
313.27371	72.3
314.27649	1.4
331.22726	2.3
349.23642	17.5
367.24707	3.3
387.56381	1.3
419.10754	1.3
423.34818	1.1
427.38165	1.2
459.21747	1.7
479.16132	2.0
493.38919	19.3
494.18546	2.6
495.19366	1.6
507.40472	100.0
508.40396	2.1
547.43512	4.6
554.03870	1.4
581.23236	6.4
587.46765	11.9
605.47662	6.1
641.25226	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	640.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.4
55.05516	28.0
57.03198	1.6
57.03444	17.0
57.07080	45.1
65.03932	2.8
67.05508	52.7
69.03416	2.9
69.07072	42.8
69.07432	1.4
71.04988	3.2
71.08247	1.9
71.08640	32.9
71.13428	3.1
79.05494	40.5
81.03421	2.7
81.07061	56.0
83.04967	4.0
83.08622	21.3
85.06553	3.6
85.10180	18.3
89.06042	1.9
91.05486	39.7
93.07049	35.2
93.67464	1.4
95.04963	6.9
95.08611	45.7
97.06548	8.7
97.10177	28.2
99.08092	3.3
105.07032	39.5
107.04958	7.2
107.08597	31.6
109.06511	3.9
109.10149	22.2
110.14786	1.6
111.08063	3.6
113.09637	2.0
115.05402	2.2
117.07027	16.1
119.08585	25.0
121.06500	3.2
121.10145	13.3
123.08045	2.0
123.11661	4.8
125.09642	17.7
129.06987	6.6
131.08568	18.1
133.10132	17.0
135.08052	3.6
135.11702	5.5
137.09625	1.7
143.08563	6.3
143.39505	1.6
145.10141	20.9
147.11693	13.8
149.09641	8.2
149.13211	2.7
151.95580	1.8
155.08519	2.8
157.10146	5.2
159.11710	19.0
161.09599	2.2
161.13217	6.2
163.11218	8.8
169.10126	3.8
171.11665	4.0
173.13257	6.6
179.14325	3.9
183.11679	2.7
185.13321	9.5
187.14857	2.3
189.11229	6.6
197.13196	3.2
201.16452	2.0
203.14299	5.3
205.15965	2.3
207.80968	1.6
214.54590	1.7
219.17471	4.8
224.56190	1.7
227.10535	2.8
227.12788	57.3
229.19505	4.5
239.17859	8.0
239.23590	4.1
247.20586	2.9
257.19003	21.4
257.86328	1.5
259.45993	1.7
267.15976	2.7
275.20050	53.1
293.21188	3.0
313.27380	100.0
331.22711	6.1
349.23746	62.7
355.98734	2.1
409.33096	6.1
467.37424	3.3
483.36737	3.5
491.40710	7.6
493.38586	1.8
507.40576	3.0
524.43286	8.5
587.46680	50.1
605.47418	6.2
622.50116	2.1
640.51294	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	640.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
54.28714	0.3
55.01873	2.8
55.05513	21.8
56.05842	0.5
57.03184	0.5
57.03441	4.6
57.07079	12.6
59.04995	0.7
65.03925	0.9
67.05506	21.2
69.03433	2.3
69.07069	9.6
70.06583	0.8
71.04988	0.6
71.08633	10.0
71.20779	0.6
73.95865	0.3
79.05496	18.7
81.07059	17.6
82.07355	0.5
83.04990	3.0
83.08619	14.7
85.06552	0.8
85.09702	0.6
85.10179	5.1
87.04488	0.5
89.06060	0.6
91.05479	8.8
93.07049	9.2
94.92842	0.4
95.04962	0.6
95.08607	9.9
97.06540	1.2
97.10174	29.1
101.06065	0.4
105.07038	9.3
107.04955	1.5
107.08600	26.1
109.06506	1.0
109.10154	7.9
111.08060	1.6
111.11776	0.4
112.96338	0.3
117.07005	3.6
119.06017	0.6
119.08589	4.8
121.06477	0.4
121.10136	2.3
123.08038	0.4
123.11715	1.8
125.09636	29.6
129.06993	0.9
131.08580	3.2
133.10127	5.5
135.08067	3.7
135.11702	1.6
141.06973	0.6
143.08595	0.9
143.10643	1.2
145.10124	5.7
147.11662	3.9
149.09622	2.3
149.13324	0.4
153.09091	2.0
157.10162	1.0
159.11668	2.4
161.13252	0.6
163.11238	0.7
169.10152	0.6
171.10181	3.2
171.11676	1.1
173.11780	0.5
173.13268	1.0
179.14455	0.4
183.11703	0.9
185.13312	0.5
187.11156	0.5
189.11221	14.2
190.87875	0.4
197.13348	0.5
227.12782	100.0
228.13081	0.9
229.19472	0.8
239.17905	1.7
239.23676	1.0
255.16084	0.6
257.18985	5.1
257.24753	0.6
275.20065	20.4
276.20322	0.5
293.21198	0.6
311.25815	0.8
312.26196	0.4
313.27365	32.2
331.22720	4.5
349.23755	21.0
483.36823	8.1
491.40753	0.5
493.38177	0.8
505.38489	1.0
507.39691	2.0
529.39294	0.5
548.39355	0.4
569.45502	0.8
582.43555	0.9
587.46680	21.6
605.47394	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01865	0.5
55.05514	4.4
57.03450	2.9
57.03688	0.7
61.02920	3.7
67.05177	0.6
67.05508	9.5
69.03425	0.9
69.07077	2.7
69.60487	0.4
69.73217	2.3
71.05000	1.2
73.02905	1.5
73.06551	0.8
73.80328	0.5
79.05498	16.7
81.03418	2.6
81.07061	10.3
83.04984	4.2
83.08631	2.3
85.02903	3.8
85.06525	0.8
86.09676	0.5
91.03961	3.2
91.05486	12.0
93.07049	16.2
95.04984	5.6
95.08617	6.0
97.02905	2.0
97.06535	1.3
97.10170	1.5
98.20792	0.6
99.04469	0.4
101.16069	0.6
105.07040	10.2
107.04961	1.7
107.08594	6.0
109.02895	0.5
109.06541	2.7
109.10136	1.3
111.04461	0.4
111.08043	0.4
117.07013	2.1
119.08582	6.3
121.06497	1.0
121.10146	1.2
123.08058	1.8
123.11671	0.5
125.05978	0.4
127.03915	1.3
129.07016	4.3
131.08615	1.0
133.10107	3.5
133.87302	0.4
135.11639	0.6
137.09494	0.5
143.08595	2.2
145.04953	1.3
145.10126	3.1
147.08022	1.0
147.11693	10.6
161.09583	1.7
161.13264	4.4
163.06017	1.2
163.11273	0.6
171.11682	6.7
179.14212	0.5
184.07343	1.7
189.12752	3.0
189.31340	0.4
207.13794	4.9
256.13623	0.4
263.67352	0.4
281.17484	100.0
282.17847	1.3
303.23309	0.7
321.24496	0.8
425.21655	1.0
443.22745	3.4
460.27332	0.8
490.19897	0.5
604.32208	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.5
53.03949	13.9
55.01875	18.2
55.05514	34.5
57.03219	1.6
57.03444	15.6
57.07077	4.5
58.64882	1.4
58.68906	1.5
59.05009	2.9
65.03938	6.2
67.05511	100.0
69.03433	48.7
69.06726	2.0
69.07074	23.7
71.01357	6.7
71.04990	16.1
71.08614	2.0
71.53275	1.6
73.02928	3.5
79.05501	62.4
81.03426	90.8
81.07066	86.7
81.10091	1.5
83.01329	1.7
83.04992	25.6
83.08624	21.0
85.02914	19.1
85.06547	5.4
87.04468	2.6
91.05489	45.2
93.07052	70.6
95.04977	17.3
95.08610	33.5
97.02904	28.6
97.06544	17.0
97.10177	13.9
99.04471	12.3
105.04557	2.5
105.07038	27.6
107.04958	17.1
107.08616	43.4
109.02892	30.7
109.06548	9.5
109.10168	29.8
111.04465	10.4
111.08106	7.2
113.02346	2.0
113.06020	2.7
115.05496	2.2
117.07028	16.9
119.08599	23.8
121.06541	6.5
121.10148	23.1
123.04466	4.9
123.08114	7.5
123.11740	4.0
125.02470	1.8
125.09647	10.2
127.03920	25.1
129.05495	4.9
129.06987	9.7
131.04962	4.3
131.08583	16.8
133.06566	4.5
133.10146	15.5
135.04446	2.6
135.08101	6.2
135.11720	15.8
137.05997	2.7
137.09660	5.8
139.11223	2.0
141.07040	2.3
143.08601	5.4
145.05058	1.6
145.06517	5.5
145.10144	14.9
147.04445	2.5
147.08098	7.2
147.11668	9.8
149.06009	1.8
149.09673	4.4
149.13275	19.3
151.11232	3.6
153.12750	10.0
155.08601	2.5
155.10658	2.8
157.10168	5.2
159.08121	2.1
159.11717	13.1
161.09671	5.5
161.13274	2.7
163.11203	22.1
165.12726	3.5
169.10155	2.4
171.08043	1.9
171.11754	3.1
173.04495	35.0
173.05907	1.9
173.09660	3.4
173.11775	4.2
173.13275	2.2
175.11226	3.6
177.12798	5.6
181.05115	2.1
181.12241	9.4
183.06564	4.9
189.11255	4.2
191.10757	9.2
193.12286	3.0
195.13812	11.8
199.11333	2.0
205.05379	1.5
209.11710	24.6
209.13321	2.2
211.13254	1.9
213.14833	2.4
219.13968	2.1
225.11255	3.3
227.12766	24.1
227.14561	2.0
229.14491	6.6
233.15425	1.9
261.14972	2.0
261.22339	2.0
265.14499	4.5
267.16049	4.4
269.17496	19.4
281.13745	2.4
283.15414	10.7
293.17319	1.9
297.16949	2.3
301.07205	3.0
301.16608	5.0
303.15906	4.0
321.17130	2.9
331.08215	4.3
335.14911	1.6
339.17603	2.0
353.16043	9.9
395.20969	2.5
409.18668	3.6
423.27469	13.1
427.19693	6.2
435.27252	2.9
449.29431	2.8
453.28662	3.7
459.27109	11.2
472.48135	1.7
477.28552	26.6
495.29385	8.7
543.29755	2.7
547.28961	1.7
567.30731	1.8
597.27191	3.2
603.30975	7.4
621.32715	22.2
639.33795	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	639.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77136	0.9
55.05523	1.1
57.07076	1.8
59.04989	2.6
65.65975	1.0
67.05487	3.3
69.07054	2.0
69.86030	2.2
69.86439	4.8
71.08627	1.1
77.68478	1.1
79.05501	3.6
81.07064	2.8
83.05011	1.2
87.00050	1.2
91.05482	2.6
93.07028	1.9
95.08620	2.1
97.06551	1.3
105.07043	2.1
109.10159	1.8
119.08569	1.6
131.08574	2.1
145.10141	1.8
220.17021	1.1
227.30606	1.0
233.10538	1.3
324.93118	1.3
375.16391	2.2
376.16782	2.2
377.17578	4.7
378.18991	2.1
380.21054	1.2
388.17883	2.2
389.17822	4.8
390.18192	5.5
391.19199	17.1
392.20056	4.3
402.18381	1.6
403.19247	4.6
404.19876	5.7
405.20850	25.3
406.21561	9.6
407.22211	2.1
417.21115	2.5
418.21802	1.9
419.22864	8.6
420.18143	1.6
420.23166	17.3
421.24036	9.4
430.17068	1.4
431.22830	1.5
433.19470	3.4
433.23898	6.5
434.24579	4.9
435.21671	2.1
438.20526	2.1
444.18759	1.4
445.20166	4.6
447.22116	5.3
448.22775	9.2
449.23544	17.3
452.22089	20.7
459.21698	9.2
460.22647	13.9
461.19009	1.8
461.23975	2.3
462.20453	17.7
463.21054	3.9
465.22693	10.7
473.19772	1.8
474.20425	1.4
475.21103	16.9
476.21936	11.3
477.22986	34.2
478.23566	2.1
479.24448	1.7
487.20862	2.6
488.22107	2.2
489.22577	2.0
492.25241	10.4
493.20917	1.4
497.61246	1.3
501.22949	1.5
503.24252	9.2
504.25131	1.9
505.22061	1.3
507.27325	4.4
508.27792	1.3
518.22681	1.6
521.22229	12.3
527.37585	5.3
535.26166	7.6
536.24274	50.2
537.24524	4.6
541.38623	1.5
547.26807	2.2
549.24017	1.4
551.26050	3.8
552.27435	13.2
553.27545	1.5
561.25238	5.1
562.25665	2.5
563.26306	4.2
579.28033	9.1
581.27234	1.4
593.27515	2.8
595.28845	2.0
607.26892	1.5
609.26282	1.4
621.27161	6.4
622.27881	100.0
623.28021	3.1
639.31549	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	639.2811
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
53.03947	0.5
54.93581	0.2
55.01868	0.5
55.05511	1.1
65.03953	0.3
66.85377	0.2
67.05501	2.7
68.97570	0.2
69.07069	1.1
69.46843	1.2
69.47263	0.5
79.05495	2.4
79.63254	0.3
81.03429	0.6
81.07059	2.7
83.04979	0.5
83.08607	0.5
85.06538	0.3
91.05485	2.1
93.07049	2.3
94.97395	0.2
95.04971	1.1
95.08613	1.4
97.06529	0.6
97.10163	0.6
98.21496	0.3
105.07039	2.3
107.04968	0.9
107.08601	1.1
108.56894	0.2
109.06536	0.8
109.10144	0.7
109.20930	0.2
113.05931	0.2
115.05410	0.3
117.07022	0.9
119.08569	1.5
121.06535	0.3
121.10148	0.7
129.06993	0.5
131.08559	1.3
133.10165	1.1
134.09818	0.2
135.08084	0.6
135.11697	0.6
143.08522	0.4
145.10150	1.0
147.08080	0.4
147.11646	0.4
149.09631	0.5
149.13222	0.3
157.10063	0.5
159.08037	0.3
159.11740	0.6
161.09666	0.5
161.13220	0.3
168.72801	0.2
169.10141	0.2
171.11778	0.3
173.13206	0.3
175.32947	0.3
176.15645	0.2
176.59448	0.2
177.12756	0.3
183.09169	0.3
198.09306	0.2
204.06645	0.5
211.08553	0.3
225.10165	0.4
226.10962	0.4
237.10365	0.5
239.11859	0.4
249.10202	0.3
251.11856	0.3
257.19080	0.5
273.18414	1.2
275.20004	1.7
282.36636	0.3
291.19565	2.0
299.13910	0.3
302.13101	0.3
311.14038	0.4
314.12988	0.4
326.12906	0.3
327.13794	0.3
328.14658	0.3
340.10736	0.3
340.14499	0.5
347.22186	0.3
370.15585	0.3
372.17316	0.3
375.19073	0.2
379.19348	0.5
391.15363	0.4
391.19739	0.4
392.16626	0.4
393.17090	0.9
393.21243	0.5
403.19424	0.3
405.17334	0.9
406.17987	0.8
407.18640	2.2
415.18741	0.5
417.17041	0.4
419.14856	0.9
419.18948	1.0
420.15054	0.4
420.19617	1.0
421.20428	5.1
422.21063	1.8
423.21884	0.7
430.17667	0.3
431.18665	0.7
432.19650	0.8
433.16467	0.9
433.20615	1.0
434.16699	1.4
435.17282	2.2
435.23001	0.6
436.18237	0.2
436.22864	2.2
445.16089	0.6
446.17020	0.4
447.17606	0.7
447.22079	1.2
448.18570	2.2
449.19666	9.8
450.20514	2.6
451.21249	0.5
459.18362	0.7
460.18991	0.3
461.19846	1.0
462.20270	0.9
463.21564	5.4
464.22137	5.2
465.22897	1.0
473.19955	0.5
474.20581	0.4
475.21503	1.8
476.18640	0.4
476.21875	0.3
477.18820	5.7
478.19940	2.1
479.20807	0.5
481.22504	0.4
491.20300	1.3
492.21375	1.1
493.22232	0.9
505.22278	0.8
507.24973	1.3
509.21359	0.4
509.25729	0.4
519.24109	0.7
521.21637	1.2
523.23193	2.3
533.21320	1.1
535.23596	3.0
536.24304	1.4
537.21851	1.1
547.23438	0.6
550.25922	1.3
551.26544	2.8
561.25012	3.6
563.23334	0.4
564.23676	4.9
565.24353	2.4
569.27496	0.3
578.25238	0.3
579.25940	6.0
581.23969	0.8
592.23059	0.4
595.25739	2.2
596.26648	1.2
597.27087	1.8
607.25427	1.7
610.27295	0.8
611.28412	0.3
621.27100	3.9
621.41064	0.7
622.27362	0.3
624.25830	5.5
639.28113	100.0
640.28448	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	639.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30202	0.3
53.00445	0.3
54.19275	0.3
55.01784	0.5
55.05427	0.9
55.05669	0.5
62.19044	0.4
67.05379	1.9
69.06950	0.9
71.54496	0.5
79.05368	1.7
81.03343	0.4
81.06923	2.1
83.04865	0.8
83.08507	0.7
85.14331	0.4
91.05344	2.0
93.06886	1.6
95.04817	1.2
95.05373	0.5
95.08459	1.3
95.08990	0.4
97.06400	0.6
97.10047	0.5
105.06881	1.5
107.04877	0.5
107.08451	1.2
109.10048	0.8
117.06860	0.5
118.06421	0.3
119.08411	1.8
121.09998	0.4
123.07840	0.3
129.06883	0.6
131.08443	0.8
133.06375	0.4
133.09955	1.1
135.07954	0.4
143.08432	0.5
145.10048	0.7
147.07887	0.6
157.09979	0.6
159.11584	0.7
161.09375	0.4
171.11581	0.6
173.13129	0.6
183.05305	0.4
187.75365	0.4
197.10672	0.8
209.10571	0.8
210.11403	0.5
211.12077	1.0
213.06410	0.5
219.17348	0.6
220.09651	0.5
221.10556	1.5
222.11362	1.7
223.12181	2.8
224.12871	1.4
225.06462	0.8
225.10008	0.4
225.13916	1.7
227.08220	0.5
233.10446	0.4
234.11348	0.5
235.12320	2.0
236.12869	1.3
237.13834	3.1
238.14644	1.8
239.08003	0.6
239.15219	1.1
239.17494	0.4
240.16014	0.4
246.11305	0.4
247.12151	1.0
249.10092	0.9
249.13930	1.9
250.14404	1.4
251.11673	0.9
251.15460	2.7
252.16089	0.4
253.16835	0.9
257.18903	0.5
260.12881	0.4
261.13965	2.8
262.14572	0.8
263.11639	1.0
263.15109	0.4
264.12329	0.5
265.13077	0.6
273.18335	1.0
275.15356	0.6
275.19904	1.3
277.13251	0.5
279.14880	2.3
288.14871	0.5
291.19437	1.4
299.10172	1.3
300.14999	0.6
311.14215	0.5
312.14786	1.3
314.12949	0.4
314.16458	0.8
321.12482	0.4
322.30246	0.4
326.16470	0.5
327.10400	0.4
338.16684	0.4
340.18048	0.6
350.16650	0.5
351.16537	0.5
352.18124	0.7
354.19534	0.5
362.16061	0.6
364.17715	0.5
365.17810	1.0
366.19513	0.6
367.19849	0.6
377.18433	0.7
378.19333	0.7
379.19086	1.5
380.20264	0.7
389.17407	0.4
391.15350	0.4
392.16144	0.8
392.20941	0.7
393.16470	0.8
393.20724	1.2
395.18625	0.8
403.19101	0.5
405.17114	0.9
406.17972	1.4
407.18549	2.3
407.23071	0.5
408.19614	0.8
409.19922	1.1
410.21280	2.0
417.16833	1.2
419.19092	1.0
420.15479	0.6
421.20273	1.6
422.21338	2.6
423.21948	2.1
431.18906	0.5
433.16388	0.8
434.21826	0.6
435.17319	2.3
436.18811	0.8
448.19217	0.5
449.19757	1.8
450.20593	1.5
451.21378	1.6
461.20099	0.6
463.17194	0.6
463.22015	0.8
464.22205	0.7
465.20773	0.4
466.24399	0.5
467.20334	0.8
468.21790	0.9
477.18881	0.5
477.23331	0.7
478.19891	0.5
479.20587	2.0
481.21744	0.5
481.25906	1.4
482.23346	0.8
483.23975	1.0
492.22220	0.8
493.22192	1.1
494.24103	1.9
495.24448	0.7
496.24777	1.4
504.21725	0.7
505.22043	0.8
507.20346	0.6
509.25607	15.2
519.24414	2.1
520.22217	0.5
521.22479	0.8
522.22809	1.4
526.27356	0.9
527.37341	0.9
530.21490	0.5
535.27136	0.6
536.23853	1.1
537.25153	11.1
538.25543	0.6
541.28076	1.1
547.23578	1.4
549.21881	0.7
551.26770	4.2
554.25439	0.7
561.24792	0.8
563.26556	0.9
564.23444	0.7
565.24500	11.7
567.29620	1.8
569.27618	14.1
579.25989	3.9
581.22833	0.4
582.24420	0.5
589.24249	0.6
595.29510	1.1
596.26563	3.0
597.27081	100.0
598.26953	2.3
607.25397	6.1
611.28662	12.3
612.29041	0.6
621.26965	3.8
621.41199	0.6
639.28143	29.6
639.41797	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	639.2812
Annotation	Cucurbitacin B 2-sulfate
Peak:m/z	Relative Intensity
55.01879	3.0
55.05503	4.1
57.03432	3.1
61.19180	1.3
61.35516	1.4
65.03929	1.4
65.27341	1.2
67.05513	14.5
67.63708	1.1
69.07066	4.9
69.22276	8.1
69.22709	4.8
79.05500	10.5
81.07059	10.2
83.04980	2.7
83.08596	2.9
91.05504	10.6
93.07049	9.0
95.05000	6.8
95.08606	7.1
97.06519	2.9
105.07041	8.7
107.04946	2.7
107.08585	6.1
108.08145	1.8
109.06515	4.7
109.10146	2.3
113.05971	2.8
117.07005	3.4
119.08553	5.0
120.19504	1.5
121.10141	2.6
123.11806	1.7
129.07068	2.1
131.08534	5.3
133.10091	4.1
135.08011	4.2
135.11720	3.4
136.20758	1.3
138.78229	1.3
143.08534	3.4
145.10092	4.0
147.11665	2.0
149.09625	2.5
157.10156	1.9
159.11670	2.5
163.11234	2.0
171.11646	2.8
172.35733	1.3
185.13219	1.4
206.87270	1.4
209.10753	4.3
210.11507	1.8
211.08661	2.0
211.12321	2.8
221.10844	2.6
222.11523	2.2
223.08755	2.0
223.12315	4.7
224.09480	1.7
224.13033	5.8
225.13789	3.5
227.12807	1.9
235.12323	1.7
237.10201	2.1
237.13947	4.2
249.10219	2.8
249.13820	1.3
250.11014	1.9
251.11815	1.7
257.19070	1.9
261.13947	2.4
265.13333	3.1
273.18323	4.1
275.19998	4.6
277.09631	3.9
291.19522	7.3
297.97626	1.5
349.23999	1.5
403.19257	3.2
407.18909	2.2
409.20132	1.7
415.19278	2.2
417.20950	2.4
423.21738	2.1
428.16464	1.9
429.17090	1.8
431.18539	4.8
443.18677	1.8
445.20224	3.4
446.21301	3.3
459.22165	2.7
460.22464	1.8
475.21118	4.5
487.21039	2.0
491.20825	1.7
501.22534	4.1
502.19751	3.8
509.25229	5.8
519.23071	1.7
523.23340	5.4
529.22412	1.7
533.25763	7.8
537.25037	2.9
543.23975	2.2
545.22211	1.9
547.23291	2.3
551.26801	2.1
561.24976	70.6
562.25085	2.1
565.23926	3.4
569.27209	3.7
579.25922	3.8
583.25488	3.6
589.24500	20.2
597.27020	24.5
607.25299	12.4
611.28320	4.3
621.27130	100.0
622.25452	1.5
639.27771	67.0
639.42035	14.2
640.29108	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	639.2813
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.01902	0.5
55.05505	1.3
60.37669	0.5
67.05507	2.9
69.07075	1.1
71.30238	0.6
79.05520	2.4
81.07059	3.1
83.05023	0.5
83.08624	0.8
84.30542	0.4
91.05513	2.4
93.07052	2.9
95.08610	1.3
105.07043	2.3
107.08599	1.4
109.10198	0.8
113.00017	0.7
117.07006	0.8
119.08608	1.3
121.10177	0.9
129.07016	0.7
131.08606	1.3
133.10149	0.6
135.11592	0.5
143.08603	1.1
145.10170	0.6
147.11676	0.8
149.09705	0.5
159.11659	0.8
173.13277	0.8
185.13234	0.5
206.60260	0.5
244.39986	0.4
297.12793	0.5
298.13669	0.6
340.18094	0.5
363.16260	0.6
375.16141	0.6
376.17523	0.6
377.17694	1.7
378.18851	1.0
389.17783	1.8
390.18735	1.2
391.19278	5.8
392.20026	4.1
393.20743	1.1
403.19611	1.0
404.20038	1.8
405.20737	10.1
405.26099	0.6
406.21628	4.2
407.22363	11.4
412.20624	0.5
417.20773	1.4
418.21945	1.0
419.22546	4.7
420.23224	4.9
421.23877	16.7
422.17557	1.5
422.24692	3.3
431.18338	1.1
431.23572	0.6
432.23468	0.6
433.24377	4.2
434.24844	2.2
435.18250	1.7
435.25439	1.3
436.19077	1.8
437.19669	0.7
445.20291	1.7
447.20926	0.9
447.26181	1.2
449.19788	2.0
449.27621	0.6
450.20483	1.7
451.21338	13.1
452.22391	2.7
460.22656	1.3
461.23404	1.7
463.21292	1.9
464.22144	1.0
465.22913	16.9
466.23633	1.7
471.35144	0.6
473.19818	1.5
475.21143	0.9
475.25806	1.0
477.22974	2.0
478.23758	1.6
479.24496	1.3
487.21500	2.1
488.22015	1.6
491.20984	1.9
492.21384	1.2
493.26334	1.8
501.22894	2.2
502.23712	0.9
503.24402	12.9
507.27670	9.0
508.28210	2.2
509.36581	1.0
519.24274	0.9
523.23352	3.3
527.37299	6.9
533.25671	1.8
535.27124	14.2
537.25012	9.1
541.38940	0.6
551.26624	4.6
552.27417	12.4
561.25275	4.2
562.25677	0.9
579.26031	8.3
580.26624	2.3
593.27539	1.4
595.28992	6.8
607.25629	1.2
621.27057	15.4
638.48035	1.0
639.28143	100.0
640.28571	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	639.1922
Annotation	Demethoxycentaureidin 7-O-rutinoside
Peak:m/z	Relative Intensity
55.05507	0.3
56.05023	0.2
57.03437	0.8
58.93568	0.1
67.05476	0.4
68.30661	0.1
69.03408	0.3
69.07058	0.2
69.20265	1.5
70.06587	0.3
71.05001	4.1
74.06050	0.2
75.04471	0.2
76.40510	0.2
81.03401	0.2
81.07046	0.4
83.04936	0.2
85.02910	6.0
91.05483	0.3
93.07047	0.3
95.04950	0.2
95.08622	0.2
97.02859	0.3
98.20695	0.3
105.07026	0.2
107.01551	0.1
107.08604	0.2
109.10158	0.2
119.04914	0.2
119.08562	0.2
121.02882	0.1
121.10087	0.2
124.36209	0.1
127.03896	0.6
129.05490	1.1
131.04906	0.2
131.08522	0.2
135.11850	0.2
137.05984	0.4
145.10101	0.2
147.04424	0.3
153.01851	0.5
161.05989	0.2
167.06958	0.2
178.02631	0.4
219.10123	0.3
242.05739	1.4
258.05304	0.7
262.15799	0.2
262.18585	0.2
269.04587	0.2
270.05234	9.0
271.05762	0.3
273.04025	0.4
285.03943	0.3
286.04694	0.9
287.05508	3.8
298.04553	0.8
299.05444	1.1
300.06296	0.2
301.03442	1.6
301.07129	0.9
302.04172	2.3
313.03442	0.6
315.05020	33.0
315.08444	2.0
316.05777	10.0
316.09641	0.2
331.08127	100.0
332.08432	0.9
336.90707	0.1
407.38400	0.2
459.33722	0.2
493.13437	21.0
494.13293	0.2
593.08984	0.2
639.21454	0.2
639.41382	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	638.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02291	4.5
55.05509	21.1
57.03429	12.0
57.07079	39.2
65.77132	3.9
67.05193	4.4
67.05508	67.0
69.03418	4.9
69.07061	19.0
71.08615	18.8
79.05502	27.0
81.03416	6.9
81.07063	62.1
83.04964	10.2
83.08611	15.7
85.06528	5.8
85.10176	12.8
91.05488	56.2
93.07066	33.8
95.04975	7.7
95.08615	29.6
97.06542	7.9
105.07024	45.7
107.04987	9.8
107.08600	27.6
109.06488	8.6
109.10166	49.0
117.07058	9.5
118.03873	4.0
119.08589	9.7
121.06503	4.9
123.11732	10.2
125.09621	5.5
131.08568	12.1
133.06522	6.5
133.10138	64.3
135.08046	8.6
143.08563	6.7
145.10146	8.1
147.07950	6.3
149.09668	6.8
151.11211	26.0
161.09598	8.0
169.12250	5.7
199.19016	4.4
251.12865	5.3
253.12016	7.8
253.14388	100.0
273.18494	30.3
291.19528	25.4
313.27374	68.9
347.22256	11.8
365.23178	36.8
509.38303	12.0
603.46271	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	639.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26189	0.1
57.03435	0.1
67.05486	0.1
69.03422	0.2
71.53238	0.1
72.08147	0.4
73.02853	0.1
74.19553	0.1
81.03416	0.2
85.02911	1.0
91.05473	0.2
93.07053	0.1
95.01332	0.4
95.08516	0.1
97.02895	0.4
101.88432	0.1
103.03992	0.1
107.04698	0.1
111.85590	0.1
113.02338	0.1
113.29897	0.1
120.08128	0.2
127.03914	0.2
131.10445	0.1
137.06003	0.1
140.58585	0.1
141.01825	0.9
145.04964	0.2
146.06001	0.3
149.05989	0.1
153.01845	0.5
159.02879	0.1
163.07599	0.1
172.07574	0.1
200.07129	0.1
210.31743	0.1
219.10185	0.3
229.04897	0.3
234.12436	0.1
243.07625	0.1
245.13031	0.1
257.04605	0.1
258.05252	11.0
259.05801	0.2
260.10446	0.3
277.07050	0.1
286.04727	33.3
287.05054	0.5
301.07068	100.0
302.07367	1.1
331.17624	0.1
359.17218	0.3
381.61325	0.1
397.58481	0.1
411.31384	0.1
447.92944	0.1
463.12262	0.7
561.55554	0.1
580.91101	0.1
639.15637	1.3
648.29834	0.1
651.41211	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	638.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.5
55.01873	5.6
55.05513	10.9
57.03435	4.4
57.07078	15.9
60.09498	0.9
65.03952	1.3
67.05508	33.5
69.03446	2.3
69.07072	9.9
71.04993	2.1
71.08639	11.7
73.14332	0.8
75.90442	0.9
79.05496	15.9
81.03407	3.8
81.07062	35.5
83.04984	7.7
83.08629	6.5
85.06558	3.2
85.10190	5.6
89.06010	1.6
91.05480	24.1
93.07051	17.3
95.04994	5.6
95.08614	15.0
97.06517	3.6
97.10190	2.5
98.21516	2.7
99.04469	1.4
105.07037	26.8
107.04959	3.3
107.08599	20.0
109.06532	5.1
109.09470	1.9
109.10159	28.5
111.08085	1.3
113.06057	1.2
117.06998	3.1
119.08595	4.5
121.06521	3.0
121.10181	3.3
123.08069	1.6
123.11731	6.3
125.09675	1.3
127.07573	1.4
131.08577	4.5
133.06505	1.9
133.10136	34.2
135.08052	3.5
135.11681	2.6
137.09636	1.2
143.08549	2.5
145.06438	1.2
145.10149	3.0
147.08087	2.8
147.11688	2.0
149.09628	2.7
151.11208	17.2
157.10095	1.7
159.08026	1.5
161.09653	3.6
165.79189	1.0
169.12242	3.8
171.11493	1.0
173.09492	0.9
175.11072	0.9
177.09145	1.7
179.10483	1.0
193.85310	1.0
203.14467	1.2
215.12787	2.6
239.23779	1.9
245.18962	3.1
251.12804	4.1
253.14362	100.0
255.17513	1.4
263.20114	1.7
273.18533	14.5
291.19537	15.5
313.27390	35.5
347.22247	4.6
353.47488	1.0
365.23251	16.5
507.37015	1.2
509.38315	15.1
554.83246	1.2
585.45331	2.5
603.37256	1.7
603.46265	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14008	1.5
53.03944	2.4
55.01867	5.2
55.05519	19.8
56.59366	1.5
57.03433	8.4
57.07083	25.8
67.05517	29.2
69.03440	7.7
69.07076	25.7
70.10995	1.6
70.11343	6.6
71.04987	2.4
71.08643	18.3
75.42850	1.5
79.05502	16.6
81.03411	3.8
81.07065	31.2
83.04967	4.2
83.08630	12.7
85.06567	2.2
85.10186	11.5
91.05494	13.9
93.07050	16.9
95.04968	10.6
95.08617	21.5
97.02910	7.7
97.06552	2.6
97.10191	12.6
105.07043	15.1
107.04970	6.7
107.08599	11.8
109.06522	3.0
109.10174	15.8
111.08082	2.4
115.05352	1.5
117.07017	5.3
119.08617	11.1
121.06510	3.7
121.10148	4.2
123.08101	2.4
123.11710	3.1
125.09656	7.4
129.07013	2.5
131.08551	8.5
133.06482	3.5
133.10123	10.2
135.08061	3.6
135.11668	3.4
137.09624	2.4
143.08548	3.6
145.10120	2.6
147.08069	6.6
147.11659	3.5
149.09607	1.8
151.11182	3.6
159.11758	2.2
161.09671	4.0
175.11304	2.0
189.11209	4.1
195.13811	2.2
209.81561	1.6
223.13290	16.3
227.12846	2.8
239.23781	2.4
242.25925	1.7
249.14984	2.9
253.14313	15.6
273.18497	19.1
291.19571	100.0
292.19839	1.8
313.27377	75.2
347.22083	3.9
365.23242	44.2
365.27551	1.5
507.35352	1.7
509.38083	2.4
518.13904	1.9
585.45575	3.4
603.46222	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01883	5.4
55.05514	40.9
57.03438	12.0
57.06831	1.4
57.07076	19.3
67.05508	45.2
69.03415	3.6
69.07071	51.0
70.78426	2.4
71.01365	0.9
71.04994	2.5
71.08631	12.0
73.02904	1.0
79.05495	34.3
80.05822	1.7
81.03408	4.4
81.07058	45.8
82.07391	1.5
82.25790	0.9
83.04977	10.4
83.08620	35.9
85.06535	3.1
85.10181	5.3
89.06010	2.2
91.05485	32.0
92.05809	1.6
93.07050	35.1
95.04969	10.9
95.08601	23.3
95.68808	0.9
96.08991	1.0
97.06542	8.8
97.10170	23.8
99.08102	1.5
103.05447	1.1
105.04464	1.4
105.07039	22.0
106.07374	1.2
107.04958	10.1
107.08598	20.8
107.23959	0.9
109.06506	5.7
109.10151	9.9
111.04425	1.4
111.08079	4.0
111.11710	6.9
115.05459	1.4
117.07018	12.5
118.32813	1.1
119.08591	13.7
121.06495	3.0
121.10152	9.0
122.07279	1.1
123.08042	3.6
123.11715	3.0
125.09625	2.2
129.06981	3.9
131.08577	13.4
133.06458	3.4
133.10136	13.4
134.10423	1.2
135.08070	4.2
135.11703	11.8
137.09610	3.7
137.13272	1.2
139.11128	2.0
143.08556	3.0
145.10089	8.6
147.08052	3.9
147.11662	6.7
148.08411	1.5
149.09637	6.1
149.13252	6.6
151.11223	1.7
157.10129	2.4
159.11696	8.4
160.12082	1.1
161.09622	2.7
161.13283	2.1
163.11168	2.7
165.12759	1.0
169.10197	1.4
171.11661	3.6
173.09583	1.1
173.13248	4.2
175.11221	1.2
177.12735	4.0
183.11775	1.2
185.13268	1.2
189.11288	1.1
195.13777	4.2
197.13240	1.3
205.15941	1.0
217.15843	1.2
219.20982	1.2
227.12805	2.4
229.19487	2.2
233.15359	1.9
237.22136	3.4
239.17920	2.7
247.20659	1.7
251.16389	1.8
253.14217	2.3
255.15953	5.9
257.18985	4.5
267.15955	2.7
269.17468	13.5
272.17059	1.1
273.18506	1.6
275.20090	21.6
289.17981	2.4
290.18533	2.7
291.19388	6.1
293.21124	2.5
298.20633	1.0
311.25806	64.8
313.27280	6.0
314.27878	5.4
331.22629	2.4
349.19742	1.8
349.23715	20.4
364.21790	1.3
365.22833	1.1
367.24774	2.3
381.22632	2.2
382.22632	2.7
491.30701	2.0
491.37329	29.4
505.38892	100.0
527.41260	1.4
545.41510	1.3
546.42517	1.6
574.41675	2.4
585.45135	21.0
603.46002	7.1
620.46039	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	637.3586
Annotation	Withanoside XI
Peak:m/z	Relative Intensity
51.70653	1.7
53.03953	12.7
55.01866	5.6
55.05517	26.0
57.03450	11.2
59.04991	1.8
65.03932	4.8
67.05510	60.1
69.03435	13.8
69.07071	15.9
70.13891	5.9
71.04993	6.7
71.99895	1.6
77.28921	1.7
79.05499	72.6
81.03426	36.4
81.06586	3.5
81.07063	66.1
83.04981	23.2
83.08611	10.0
85.02901	6.1
85.06535	3.1
91.04915	2.5
91.05489	58.5
93.07048	67.8
95.04971	19.1
95.08606	26.4
97.02888	9.2
97.06529	8.7
97.10180	3.8
99.04465	3.0
99.08073	2.6
102.23168	1.9
103.05488	2.6
105.04560	2.2
105.07043	34.8
107.04959	10.4
107.08611	24.3
109.02879	5.9
109.06513	7.5
109.10152	6.8
109.15829	1.7
111.04433	5.3
111.08100	3.6
115.05454	3.2
117.07030	16.1
119.04943	3.7
119.08596	24.2
121.06512	6.3
121.10141	14.4
123.05560	3.1
123.08073	5.4
123.11715	2.1
127.03916	7.8
129.05510	4.5
129.06993	13.2
131.08562	13.7
133.06502	1.9
133.10162	13.7
135.08011	3.3
135.11694	5.5
143.08582	9.2
145.06491	4.1
145.10138	10.6
147.04402	6.8
147.08031	3.4
147.11693	27.6
149.02307	7.4
149.09738	1.6
149.13252	11.9
157.10123	4.3
159.11716	7.7
161.09622	2.6
161.13280	7.8
169.38152	1.6
171.11676	20.0
173.13235	1.7
177.12730	3.7
189.12793	8.3
193.05025	4.2
195.13821	6.0
207.13794	23.4
251.16333	2.1
260.08371	1.5
261.14902	2.5
262.61212	1.6
267.16022	2.6
269.17502	6.6
271.17004	1.9
281.17505	42.1
329.40326	2.0
339.17969	3.9
340.30322	2.2
395.20419	3.8
404.23962	1.8
413.21805	21.9
425.21667	2.6
439.80591	2.6
457.29599	8.0
475.30597	100.0
551.78998	2.1
619.34711	45.2
621.16376	3.6
637.25317	2.2
637.39246	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	637.3585
Annotation	Withanoside XI
Peak:m/z	Relative Intensity
51.02367	1.7
53.03954	9.5
55.01866	5.2
55.05516	22.4
57.03435	10.3
57.07090	1.9
60.39299	1.3
65.03943	3.6
66.70574	1.4
67.05508	56.9
69.03423	14.2
69.07066	15.1
69.30153	11.0
71.04990	5.8
79.05496	64.8
81.03425	28.5
81.07059	60.3
83.04979	23.5
83.08624	12.1
85.02907	6.1
85.06573	3.3
86.48356	1.4
91.05486	52.6
93.07047	63.7
95.04976	17.1
95.08612	26.2
97.02910	7.3
97.06541	9.2
97.10173	5.1
99.04461	3.3
99.08102	2.1
105.04468	1.6
105.07035	38.6
107.04949	6.7
107.08596	23.9
109.02884	4.6
109.06528	8.1
109.10144	8.1
111.04440	4.9
111.08123	3.7
117.07024	15.9
119.08580	21.0
121.06485	2.9
121.10141	9.1
123.08067	5.0
123.11717	3.1
125.09630	2.3
127.03912	9.9
128.06224	3.5
129.05467	5.7
129.06999	16.6
131.08559	11.3
133.06444	2.3
133.10135	13.0
135.08052	4.0
135.11691	6.1
137.06033	1.7
138.64163	1.6
139.07539	1.5
141.07007	2.0
143.08585	10.0
145.06487	4.6
145.10129	9.3
147.08104	2.7
147.11682	28.9
149.13248	13.4
155.08553	2.7
157.10057	2.2
159.11665	8.0
161.09656	4.7
161.13203	9.4
165.12715	1.7
169.10117	3.0
171.11685	18.3
173.04486	3.5
173.13345	2.2
177.12779	4.9
183.11594	1.9
189.12776	6.5
195.13840	6.0
207.13821	22.3
246.25706	1.8
263.77493	1.6
269.14941	1.8
269.17514	9.2
271.16934	3.5
275.19943	2.1
281.17490	52.2
287.16660	1.7
321.17081	1.6
338.57437	1.7
339.18066	5.7
356.63306	1.5
395.20572	4.5
413.21811	20.7
457.29178	3.4
475.30582	100.0
489.32065	1.7
525.35370	1.7
575.62897	1.9
619.34625	44.4
637.26233	2.1
637.39514	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	637.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.4
56.00245	0.3
59.05005	7.1
67.05503	1.2
69.07063	0.6
69.75092	0.3
71.02313	0.7
79.73475	0.3
81.07059	0.5
83.08601	0.5
95.08607	0.5
97.91327	0.3
100.83432	0.3
105.06983	0.3
109.10166	0.9
119.08604	0.4
131.91190	0.4
186.60867	0.3
224.12965	0.3
242.89259	0.3
375.16177	0.7
389.17615	2.5
390.18314	0.7
391.19342	0.9
401.17789	0.4
402.18549	0.7
403.19183	1.6
404.20029	1.3
405.15857	0.5
405.20801	7.5
406.21823	0.7
415.19376	0.9
416.20203	1.0
417.16275	4.2
417.21231	1.6
418.17911	1.0
418.22433	0.5
419.18292	1.8
431.18018	4.5
431.23636	0.7
432.19345	6.2
433.20193	7.1
433.25436	0.5
434.20618	0.4
443.18884	1.0
444.19498	0.9
445.20432	2.8
446.21432	0.7
457.20563	0.7
458.21222	1.4
459.22025	2.9
460.23065	0.9
461.19809	1.4
465.35864	0.9
471.21613	0.3
475.21283	1.0
476.22021	0.9
477.22900	1.3
478.24002	0.4
487.21173	0.6
489.23080	0.9
490.23822	3.1
491.24670	4.3
503.25049	0.8
517.26654	0.6
519.23956	29.9
535.23798	1.0
545.25592	2.0
547.23767	1.4
551.26483	0.5
577.28198	12.7
578.28351	0.5
579.26123	5.5
605.27661	2.0
607.25226	0.6
637.30255	100.0
638.30457	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	637.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77429	1.2
53.03949	9.1
55.01866	5.7
55.05261	1.8
55.05517	18.9
57.03439	10.2
65.03934	4.0
65.79728	1.4
67.05511	58.9
69.03442	12.2
69.07079	16.1
70.27809	4.1
71.04989	7.1
73.06541	2.2
75.49126	1.2
79.05499	62.4
81.03423	39.0
81.07063	63.4
83.04991	23.5
83.08624	12.2
85.02884	5.8
85.06551	4.1
87.04432	1.5
91.05489	55.0
93.07054	65.1
95.04984	17.8
95.08621	24.5
97.02911	7.2
97.06538	6.7
97.10169	5.3
99.04482	3.1
99.08080	1.8
103.05437	2.2
105.04500	1.9
105.07037	36.9
107.04968	7.3
107.08604	25.9
109.02876	5.5
109.06500	6.5
109.10132	6.5
111.04438	4.7
111.08076	3.5
113.06031	1.4
115.05418	1.7
116.13314	1.3
117.07014	15.4
119.07805	1.9
119.08591	23.0
121.06502	4.8
121.10154	9.8
123.08073	3.0
123.11675	3.0
125.09657	1.3
127.03956	7.8
127.07543	1.9
128.06233	1.8
129.05466	4.0
129.07011	15.6
131.04868	2.2
131.08572	14.2
133.06500	2.9
133.10114	13.5
135.08075	2.9
135.11708	6.0
141.06993	2.2
143.08565	6.9
145.06493	2.3
145.10118	10.7
147.08037	3.5
147.11694	30.9
149.13242	10.3
155.08560	3.5
157.10161	4.5
159.11658	8.2
161.09636	4.7
161.13287	6.6
163.11218	1.5
167.08528	2.3
169.10193	3.3
171.11714	18.2
173.04475	1.9
173.09729	1.3
173.13310	1.7
177.12749	5.3
179.14268	1.7
181.10190	2.1
183.11661	1.6
185.13364	2.0
187.14842	1.5
189.12762	8.5
195.13840	6.5
207.13795	27.5
209.24814	1.3
213.14804	2.3
225.14842	2.2
251.16412	2.3
256.57553	1.5
257.15292	1.6
265.18106	1.3
267.15970	2.3
269.17587	9.1
271.16830	3.6
281.17490	52.4
303.15817	1.5
305.25162	1.5
321.16891	3.3
339.18073	5.7
361.19708	1.5
383.25912	1.8
395.20544	4.8
413.21719	21.5
447.31183	1.8
455.34897	1.5
457.29678	7.1
475.30591	100.0
525.35773	2.0
619.34595	43.8
637.26245	3.2
637.40594	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	637.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.4
57.07064	0.4
62.42719	0.4
67.05510	1.3
69.07063	0.6
70.47784	0.9
71.08629	0.4
81.07037	0.9
91.05460	1.0
93.07079	0.6
95.08602	1.2
98.42174	0.4
105.07061	0.5
107.08608	0.5
109.10142	0.5
120.08103	1.2
124.12104	0.5
170.97218	0.5
197.10760	0.6
223.08900	0.5
237.10313	0.8
251.08238	0.9
326.12863	0.7
328.14426	0.6
340.14325	0.5
390.18182	1.0
391.19244	1.1
403.19589	0.7
405.16547	0.5
405.21161	1.1
407.22253	0.6
417.20819	1.3
418.17670	1.0
419.18719	1.6
420.23199	1.3
429.16873	0.6
430.18451	0.6
431.18402	0.6
433.20111	3.5
434.20609	2.0
435.22052	0.6
444.19269	1.0
445.20624	2.6
446.21167	0.6
447.22101	2.9
448.22733	2.5
458.21100	0.8
459.22046	5.2
460.22995	2.5
461.19952	1.5
475.21323	3.2
476.22076	2.2
477.22800	0.9
493.22369	0.6
505.23251	0.5
519.24011	1.5
521.26093	3.1
525.41565	1.1
531.24084	1.0
533.21515	0.6
534.26385	2.2
535.26965	1.3
545.25293	1.3
546.26526	1.6
547.26740	1.6
561.25079	1.9
562.25842	2.5
563.26575	10.9
565.24231	0.8
577.28412	3.2
579.25684	0.7
590.25085	0.6
591.25787	1.2
593.26514	0.5
594.28448	1.5
605.27576	1.6
606.28229	2.5
607.25714	0.7
621.27246	2.2
622.27759	2.7
637.30243	100.0
638.30518	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	637.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40544	0.3
55.05511	0.6
57.07085	0.4
60.90776	0.3
64.62303	0.3
67.05515	0.9
69.50881	2.1
71.08630	0.6
81.07055	0.8
82.91421	0.3
83.76128	0.3
84.51398	0.3
91.05502	0.4
93.07051	0.4
95.08602	0.6
98.20757	0.5
107.08620	0.4
109.10144	0.6
119.08600	0.4
133.10181	0.4
148.46854	0.3
177.38292	0.3
197.10698	0.3
209.10818	0.9
210.11488	0.5
211.08632	0.6
211.12347	0.5
221.10745	0.4
222.11443	0.6
223.08737	0.5
223.12242	1.6
224.13141	1.0
225.10228	0.5
225.13986	0.7
235.08781	0.5
236.09441	0.4
236.13263	0.5
237.10263	0.8
237.13892	2.2
238.14679	0.3
239.11884	0.4
239.15392	0.4
243.17648	0.3
249.13907	0.7
250.11156	0.5
251.08241	0.7
251.11777	0.6
253.13300	0.4
263.16678	0.3
265.13501	1.1
266.14157	0.4
283.10822	0.3
311.14264	0.5
313.17068	0.3
313.27502	0.8
338.12997	0.4
388.20215	0.3
391.19617	0.5
403.19519	0.5
404.24283	0.3
405.16461	0.4
405.20993	0.7
413.01678	0.3
415.19421	0.4
416.19260	0.4
417.16983	0.8
418.17920	0.6
419.18097	1.4
420.23395	0.7
429.08783	0.3
431.18607	1.3
432.19812	0.7
433.20001	2.6
445.16122	0.4
445.20975	0.4
446.16803	0.4
447.17349	0.7
447.23108	1.6
448.22885	1.8
459.22705	2.3
460.18414	0.6
461.19278	2.1
462.20715	0.4
473.19360	0.4
474.20618	0.8
475.20853	3.5
476.22083	10.4
477.22989	0.9
487.21295	0.4
489.22720	0.5
490.23428	0.3
491.24588	0.9
493.22137	0.7
502.23444	0.5
503.24744	0.4
504.21375	0.3
505.22528	0.8
507.24585	0.5
515.20410	0.3
519.23828	1.7
521.22430	1.0
525.41333	0.9
533.21594	0.7
534.26147	0.6
535.24139	0.5
545.25598	1.1
547.22968	2.6
549.25055	1.1
551.26367	0.4
561.24335	0.7
562.25848	8.7
563.26422	4.1
577.28217	3.6
579.26123	1.6
590.24701	0.5
593.24957	0.6
594.28101	0.6
605.27478	1.0
606.28357	0.5
607.25806	0.5
622.27966	2.4
623.87518	0.3
637.30243	100.0
638.30511	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	637.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
65.71466	0.2
69.22276	0.6
69.22704	1.1
80.76897	0.2
98.00507	0.2
106.96922	0.2
120.99094	0.2
147.74419	0.2
195.09128	0.2
209.10732	0.2
223.12289	0.2
237.13885	0.2
255.53825	0.2
294.47665	0.2
373.14145	0.2
387.16202	0.5
388.16965	0.3
389.17807	0.6
390.18723	0.3
391.19275	0.3
400.17010	0.2
401.17715	0.9
402.18442	0.6
403.19531	1.1
404.20102	0.7
405.20844	1.0
406.21494	0.5
407.22092	0.5
413.17685	0.4
415.15222	0.2
415.19360	1.9
416.15332	0.3
416.20154	0.7
417.16342	0.6
417.21533	2.0
418.21686	0.7
419.22818	1.4
420.23123	0.4
427.19785	0.3
428.16400	0.6
429.16949	0.9
429.21207	0.7
430.17291	2.6
430.22806	0.4
431.18024	3.1
432.18842	0.7
432.24246	1.2
433.20160	0.8
435.22290	0.5
443.18295	2.9
444.18976	2.9
445.20111	11.2
446.21228	2.8
447.22348	1.1
448.22800	0.3
449.23608	0.3
457.19977	1.0
458.20975	8.8
459.21793	6.8
460.22812	6.1
461.19525	4.0
462.20386	0.8
471.21793	0.6
472.23294	0.4
473.24283	0.9
474.19864	0.3
475.21106	2.0
476.22083	1.4
477.23004	2.2
485.23346	0.3
486.24564	0.4
487.25018	0.7
489.18036	0.3
489.23199	0.6
490.23688	0.7
491.24680	1.4
503.20822	0.7
503.24796	0.3
504.25879	1.0
505.22610	0.8
517.21661	1.5
518.23004	6.0
519.23926	0.6
530.23029	0.6
531.24103	0.9
532.24750	0.6
533.25769	3.3
535.23053	1.5
545.25507	2.8
546.26202	2.1
547.27179	0.3
549.24969	1.2
560.24384	0.5
562.25476	0.5
563.26526	0.6
573.24689	1.4
577.28442	3.2
590.25604	0.6
591.25446	0.3
592.26849	0.6
605.27618	15.7
606.28442	1.2
637.30212	100.0
638.30438	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	637.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43523	0.4
57.07048	0.5
58.51693	0.4
62.86390	0.4
67.05470	0.4
70.69877	0.9
70.70211	0.6
79.05463	0.5
81.07007	0.6
81.97957	0.4
152.94768	0.3
196.68723	0.3
377.17883	0.5
389.18640	0.5
391.19025	2.1
392.19717	0.9
396.86514	0.4
399.15939	1.0
400.16858	1.4
401.17630	1.0
402.19125	0.5
403.19513	1.3
404.20657	1.0
405.20743	4.1
406.21497	4.2
412.17706	0.5
413.17798	1.6
414.18555	2.5
415.19348	4.4
416.20120	0.7
417.21027	1.2
418.21927	0.8
419.22586	2.4
420.23166	3.5
421.23904	8.5
427.19412	2.4
428.20166	2.0
429.20828	10.9
430.21915	2.7
431.18558	1.4
432.23511	0.9
433.19992	2.2
433.24283	1.4
434.24518	1.2
442.21497	1.7
443.22562	6.5
444.23358	4.5
445.19891	2.4
446.21115	1.2
447.17932	1.3
449.27945	0.5
452.22278	0.6
455.18625	0.8
456.19467	0.8
457.19568	1.5
457.24115	2.7
458.25006	6.1
459.21982	7.6
460.22659	4.1
461.19321	6.4
470.20822	1.1
471.21765	1.7
472.22729	6.4
473.19089	1.3
473.23691	1.5
474.20178	0.5
475.20901	3.1
476.22098	5.5
477.26572	0.9
485.23532	13.6
486.20004	1.7
486.24286	2.8
487.21582	1.8
488.22009	4.6
489.22711	0.7
492.25067	0.5
493.22571	0.6
498.20297	0.6
499.21274	1.4
500.22168	2.2
501.22794	0.6
502.23566	1.1
503.24475	17.7
505.22028	0.8
513.22974	3.4
514.23840	1.5
517.26105	7.6
525.40759	0.7
529.26282	1.5
530.23114	0.7
531.23804	0.5
535.27124	25.1
536.27374	0.8
545.25525	73.8
546.25641	1.8
549.25262	0.9
563.26392	5.5
573.24994	19.0
577.28033	1.0
605.27618	63.4
606.27917	1.2
637.30249	100.0
638.30389	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	637.2655
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
65.03931	0.5
67.05497	1.8
71.53744	0.9
77.17837	0.5
79.05497	1.4
81.07082	1.1
83.08646	0.6
91.05494	1.0
93.07068	1.2
95.08608	1.3
100.37413	0.5
105.07028	1.0
133.10149	0.9
145.10149	1.0
156.33163	0.5
183.76384	0.5
185.22833	0.5
198.04671	0.5
203.28909	0.5
278.95990	0.5
346.81793	0.7
375.16336	0.6
387.16147	0.7
389.17654	1.5
390.18686	1.1
401.17749	1.2
402.18832	0.9
403.19229	2.2
405.20416	1.2
415.15298	1.0
416.20367	0.7
417.16855	1.8
417.20938	1.6
419.22424	2.4
425.18054	0.5
429.16830	1.1
430.17795	1.2
431.17978	3.0
435.17978	0.9
443.18777	1.0
445.20367	4.5
446.21283	1.8
447.21936	1.7
449.20074	0.7
457.16852	0.7
459.22119	0.9
461.15579	1.0
463.21542	3.2
475.17325	1.0
476.18472	2.1
477.19275	2.4
489.19348	2.3
490.19940	7.0
491.20737	9.1
503.20734	3.2
504.21539	1.5
517.22534	1.7
518.22662	0.7
522.23242	0.8
533.25525	5.6
535.19867	1.1
549.23364	1.0
562.22308	0.8
577.24432	24.4
578.25061	0.9
593.27148	1.2
605.24103	0.8
619.25610	0.9
636.41663	1.6
637.26587	100.0
638.26654	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45972	0.6
55.05524	1.7
57.07074	1.5
67.05506	3.9
69.07071	1.6
71.04984	0.6
71.08614	1.3
71.54564	0.8
79.05493	2.0
81.07068	3.6
83.08633	1.5
84.81980	0.8
85.10175	0.8
86.90380	0.7
91.05497	2.0
91.40246	0.7
93.07030	1.3
94.06589	1.3
95.08608	2.1
105.07027	1.6
108.83989	0.6
109.10143	1.9
112.99997	0.9
119.08567	0.9
121.10145	0.7
129.06932	0.7
133.10239	0.8
145.10249	0.8
169.07626	0.8
169.28142	0.7
181.07553	1.3
181.08945	0.8
183.09198	1.2
191.07214	0.9
192.06752	0.8
193.07646	1.9
194.08342	2.1
195.09158	5.2
196.08257	0.8
196.09824	3.3
197.10776	3.7
207.09248	3.4
208.07858	1.4
208.09967	4.1
209.07147	1.7
209.10756	7.4
210.07867	1.0
210.11455	5.5
211.08673	1.3
211.12373	2.5
212.09508	1.1
212.13179	2.1
219.09375	0.9
220.09863	0.8
221.07173	2.2
221.10773	1.2
222.07935	2.2
222.11543	0.7
223.08702	8.0
223.12280	5.3
224.07277	0.9
224.09454	16.7
224.13101	2.1
225.10243	6.2
225.13824	7.7
226.14691	2.5
227.08025	0.8
233.10773	0.7
235.08652	6.0
236.05678	1.6
236.09531	3.3
237.06490	1.6
237.10146	4.3
238.10979	3.4
239.08173	2.2
239.11911	1.3
241.09779	1.0
247.08801	0.8
249.06790	2.0
249.10268	1.0
250.07382	1.4
250.11009	0.7
251.08176	4.1
251.11792	5.7
252.08963	1.9
253.09612	1.3
253.13370	22.4
255.11311	3.3
256.12097	4.1
261.18527	0.6
263.08194	4.4
264.08945	3.1
265.09717	3.0
266.07687	0.6
266.10605	2.4
267.07767	0.8
269.09177	2.1
269.12961	1.6
270.13553	2.2
271.14435	1.8
272.07748	0.8
275.07977	0.9
277.06116	1.3
279.08118	1.2
279.11349	5.8
280.08075	0.9
281.09164	3.1
281.12735	1.7
282.09967	1.0
283.10526	1.3
291.07578	6.5
292.08167	0.9
293.09265	1.9
295.07010	1.4
295.10861	0.8
295.14493	0.8
297.09335	1.0
297.12326	4.8
309.08701	1.5
310.09482	3.6
311.13986	1.3
313.27283	1.1
319.07065	1.7
323.10425	1.0
325.11914	4.3
337.08231	1.2
351.09784	32.2
369.10828	19.3
447.18057	0.8
458.16827	1.6
470.16989	1.8
489.23218	1.7
503.20386	1.2
517.22455	5.2
525.40930	1.7
545.21704	1.6
549.24890	1.1
573.21991	3.5
577.24469	29.2
605.23987	100.0
606.24384	1.1
637.26532	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	637.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
64.92072	0.3
70.11726	0.6
70.12075	0.9
94.06503	0.3
109.12233	0.3
113.13441	0.3
130.53337	0.3
136.06970	0.3
182.09634	0.5
221.10695	0.5
221.79579	0.3
223.12019	0.3
249.10213	0.5
257.10751	0.3
281.71484	0.3
310.13287	0.4
314.12775	0.4
360.15024	0.4
363.16330	0.4
373.93185	0.3
374.16205	0.4
375.60358	0.3
376.17593	0.4
377.17719	0.9
378.18259	0.7
384.14456	0.3
385.14777	0.6
386.15735	0.7
387.16306	1.0
388.17828	0.5
389.17722	0.6
390.18652	0.5
391.18991	1.6
392.20007	0.8
393.20816	2.3
397.15591	0.5
398.16479	0.8
399.16260	1.8
400.16913	2.6
401.17709	3.7
402.18402	0.9
403.19351	0.9
405.20947	0.8
407.22391	3.0
411.16272	0.4
412.17551	0.9
413.17535	2.7
414.18628	3.8
415.19415	7.4
416.20572	1.5
417.20657	1.1
418.18527	0.5
419.18427	0.7
419.23090	0.5
421.20349	2.4
425.17670	0.7
426.18805	0.5
427.14752	0.7
427.19165	1.6
428.20544	3.0
429.15820	0.7
429.21396	7.8
430.22104	2.1
431.18433	0.9
433.20670	0.4
435.21860	1.5
436.22589	0.8
439.19189	0.8
441.16992	1.6
442.17441	1.7
443.18130	2.8
443.22491	4.2
444.18698	4.8
445.20728	2.2
446.21286	0.3
447.18338	1.0
453.16876	0.3
455.18530	1.2
456.19931	1.7
457.20523	5.0
458.21304	3.2
459.17355	0.7
459.22763	0.5
461.19861	0.7
463.21646	0.4
467.18982	0.4
469.16641	1.1
470.21939	0.4
471.22424	5.9
472.23270	4.4
473.19592	4.6
474.20331	1.4
475.22101	0.5
476.18689	0.5
484.19086	1.1
485.19879	2.9
486.20557	5.5
487.21375	2.3
488.21979	1.0
489.23526	1.6
490.19669	2.9
498.20963	0.4
499.21326	9.3
500.23184	2.2
501.23203	0.8
502.19846	0.6
503.24844	4.1
513.19269	1.7
514.19794	0.6
515.21075	0.6
516.21600	1.2
517.22491	3.8
521.25464	0.6
527.21204	2.3
528.21674	0.9
530.23315	0.9
531.24084	11.8
541.21826	0.4
543.23712	1.4
544.21136	0.4
545.21875	0.9
549.24872	1.2
559.23444	83.3
560.23755	1.2
577.24127	0.5
587.22961	12.6
605.23987	0.6
619.25543	100.0
620.26007	1.5
637.26575	15.2
669.90894	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
53.85722	0.8
55.01864	1.5
55.05273	0.8
55.05517	8.8
57.03432	7.0
59.04991	3.7
61.02937	4.2
65.03938	1.3
65.93144	0.7
67.05508	51.1
69.03443	3.9
69.07077	4.8
71.04992	3.9
71.54030	0.9
73.02919	1.7
74.31551	1.0
79.05494	10.5
81.03423	30.8
81.07059	16.4
83.04981	6.5
83.08615	16.8
85.02426	1.2
85.02903	12.7
85.06529	2.9
91.03967	1.7
91.05489	13.4
93.07047	10.6
94.07431	0.9
95.04970	11.5
95.08617	6.7
97.02898	3.9
97.06522	2.1
97.10175	2.6
99.04474	1.3
99.08107	1.4
103.05479	0.8
105.07028	9.0
107.04987	4.0
107.08585	5.7
109.02832	1.0
109.06506	3.3
109.10162	47.2
111.04453	1.3
111.08086	8.2
113.06053	1.0
115.05405	1.2
117.07029	1.2
119.08588	11.6
121.06524	1.1
121.10143	5.1
123.08064	1.4
123.11731	1.4
125.09669	0.8
126.72523	0.8
127.03867	1.2
129.07019	3.3
131.08569	5.4
131.39478	0.7
133.06497	1.5
133.10135	5.7
135.08009	0.8
137.05988	1.3
137.09605	2.9
142.07700	0.8
145.06404	0.8
145.10139	1.6
147.07997	1.5
147.11681	5.9
149.09610	3.5
155.10651	2.8
157.10127	6.4
165.12704	1.8
171.11551	0.9
173.11746	14.8
175.11179	6.7
178.01366	0.8
183.61523	0.8
193.12254	21.7
200.28967	0.9
211.13297	33.2
229.14366	53.5
267.15948	15.2
267.91849	0.8
285.16968	29.6
286.17255	0.9
309.24237	1.5
327.25067	2.0
353.27002	1.4
387.57883	1.0
421.25912	17.5
439.26938	100.0
440.27118	1.4
583.31390	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.5
63.92572	0.4
64.27423	0.4
67.05515	0.7
69.07078	0.6
71.08622	0.4
79.05465	0.7
81.07040	0.9
91.05475	0.7
93.07041	0.5
95.08601	0.6
117.06978	0.5
120.08044	0.4
131.08582	0.4
131.39682	0.3
177.92267	0.4
182.09554	0.4
195.09273	0.4
196.09918	0.5
203.56108	0.4
221.10727	0.6
233.10820	0.4
235.12323	0.4
237.10382	0.5
245.10953	0.4
249.10231	0.5
255.26276	0.4
299.60385	0.4
352.14758	0.5
361.15970	0.4
363.16226	1.0
376.17319	0.8
377.17682	1.9
378.18381	1.3
379.19077	0.4
385.14844	0.4
386.15796	0.8
387.16199	1.5
388.17499	0.9
389.18396	0.7
390.18610	1.3
391.19400	3.1
392.19977	2.0
393.20706	3.9
398.15967	0.6
399.16052	1.4
400.17075	2.0
401.17722	3.5
402.18781	0.9
403.19839	0.8
404.20432	0.5
405.21158	2.0
406.21625	1.1
407.22278	6.2
408.23087	0.7
410.16119	0.4
412.17337	0.4
413.17981	2.5
414.18677	3.1
415.19485	5.8
416.19940	1.1
417.16483	0.8
417.21292	1.0
419.18329	1.8
419.23145	0.8
420.19205	0.7
421.20102	5.3
425.17792	1.0
427.19702	0.8
428.20859	2.2
429.21432	5.4
430.21466	1.5
431.18826	1.2
432.19815	0.9
433.15964	0.7
433.20755	0.6
435.21747	4.6
436.22711	1.4
441.17307	1.1
442.17728	1.2
443.18518	2.6
443.22913	2.1
444.18695	2.9
444.24380	0.8
445.20587	2.6
446.20963	0.9
447.17212	2.4
448.18622	0.6
455.18976	0.6
456.04370	0.4
456.19501	1.3
457.20700	4.3
458.21320	2.9
459.17630	2.3
461.19443	2.1
462.20230	0.7
463.21338	1.2
468.19632	0.6
469.16586	0.9
470.17291	0.5
471.22372	5.2
472.23221	3.5
473.19504	4.8
474.20474	2.6
475.17563	1.1
475.22519	0.6
476.18680	1.1
477.19424	0.6
484.19336	1.0
485.19714	3.5
486.20450	4.3
487.21738	2.3
488.21933	1.3
489.18784	2.0
489.23288	2.2
490.19427	4.1
491.20969	1.3
498.20767	0.8
499.21481	7.9
500.21973	2.2
501.18906	0.6
501.23279	1.0
502.20306	1.3
503.25467	2.8
504.21964	0.7
507.23776	0.5
513.19226	5.9
514.20148	1.5
516.21625	1.9
517.22461	13.0
518.21228	0.6
519.20435	0.8
521.25684	1.8
522.26117	0.4
527.20544	3.1
528.21497	1.1
529.22424	1.6
531.24536	9.4
539.39331	0.5
543.23865	1.4
544.21124	0.8
545.21991	1.3
549.25049	6.3
550.25665	0.4
559.23438	57.5
560.23938	1.2
573.21161	0.9
577.24359	2.6
578.25238	0.4
587.22961	11.8
591.25751	3.2
605.23999	6.0
609.27246	1.0
619.25531	60.3
620.25946	0.9
637.26581	100.0
638.27002	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	635.2865
Annotation	Shizukaol M
Peak:m/z	Relative Intensity
57.07084	0.4
62.61548	0.3
67.05498	0.5
68.11640	0.3
69.07080	0.4
69.56777	1.5
69.57207	1.1
73.32281	0.3
75.42233	0.3
81.07069	0.5
91.05459	0.4
93.07049	0.7
95.08622	0.6
110.90858	0.4
132.46828	0.3
134.47864	0.3
197.10904	0.4
221.10732	0.4
229.27530	0.4
237.13817	0.4
296.42218	0.4
297.53888	0.4
387.16327	0.4
389.17770	1.0
401.17899	0.7
402.18454	1.0
403.19128	3.5
404.20081	1.5
405.20880	1.4
415.15253	0.8
415.19958	0.5
416.16168	1.1
416.20691	0.7
417.16660	1.5
417.21515	4.6
418.21518	2.1
419.22354	4.0
429.17197	1.5
430.17670	4.5
431.18076	8.0
431.23630	1.0
432.19308	2.0
432.23508	1.7
433.24390	4.0
434.24667	1.1
443.18860	1.6
444.19287	3.1
445.20071	12.5
446.20978	2.9
447.21710	3.9
452.40271	0.4
457.20215	1.3
458.21167	1.3
459.21857	9.7
460.22620	10.8
461.23459	7.1
471.21838	0.5
473.24237	2.4
474.24835	0.5
475.21323	0.7
477.23013	0.9
487.20288	0.6
487.25772	0.5
488.21936	0.6
489.22568	0.6
491.24686	0.7
492.25296	0.7
501.23013	0.5
503.20255	0.5
504.25616	0.5
505.21600	2.9
514.24084	0.4
515.24756	0.6
517.22162	1.6
518.23303	0.7
519.23596	4.2
520.24927	0.5
531.24078	2.7
532.24628	0.8
533.25250	1.2
546.26453	3.1
547.27124	20.0
548.27271	0.5
557.25647	0.6
575.26672	1.9
577.24420	2.9
578.25519	0.7
579.29584	0.4
591.26117	4.6
592.26593	0.5
605.26709	0.7
606.28406	12.7
607.29150	25.4
617.27423	0.6
635.28662	100.0
636.28961	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	635.1973
Annotation	Linarin monoacetate
Peak:m/z	Relative Intensity
53.03925	0.1
53.56026	0.2
55.01859	0.2
55.05519	0.9
57.03419	0.7
67.05493	0.6
69.03417	0.4
70.06576	0.2
70.30372	0.1
71.05001	2.2
79.05486	0.6
81.03409	0.6
81.07042	0.5
83.04994	4.1
85.02909	12.3
85.60556	0.1
86.09711	0.3
87.04469	0.3
91.05477	0.7
93.07024	0.3
95.04971	0.4
95.08604	0.3
97.02920	0.4
98.21530	0.3
99.04453	0.2
105.07030	0.4
107.04992	0.2
107.08576	0.2
109.02878	0.2
109.10197	0.2
111.04450	2.9
117.06973	0.2
119.08530	0.3
121.06487	0.2
127.03925	1.1
127.04761	0.2
129.05501	2.0
131.08577	0.2
133.06525	1.0
133.10114	0.3
135.04427	0.4
135.08087	0.2
137.05988	0.2
145.06474	0.2
149.09572	0.2
151.05547	0.2
153.01826	1.5
159.04497	0.3
163.11084	0.2
171.03021	0.4
171.06537	13.2
177.05565	0.2
189.07599	3.4
217.08559	0.2
229.26407	0.2
242.05743	9.6
254.44322	0.2
270.05252	10.2
285.07584	100.0
286.07892	0.8
411.79367	0.2
447.13025	1.6
460.28192	0.3
461.29095	0.3
473.25125	0.4
489.13940	9.8
527.19849	0.2
548.91992	0.2
617.29120	0.3
635.32465	0.3
653.43048	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	635.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13939	0.2
55.52245	0.2
57.37884	0.2
57.68612	0.2
67.05518	0.4
69.07089	0.2
70.01306	0.9
71.08621	0.2
73.99416	0.2
79.05492	0.2
81.07053	0.5
85.10219	0.3
86.68231	0.2
91.05505	0.3
93.07037	0.4
95.08591	0.4
100.17339	0.2
105.07014	0.3
107.08620	0.5
109.39886	0.2
119.08617	0.3
124.47785	0.2
125.93540	0.2
197.10756	0.4
207.09193	0.3
209.10645	0.4
210.11523	0.3
221.10786	0.5
223.12305	0.7
224.13091	0.4
225.10263	0.5
233.10924	0.3
234.11530	0.4
235.12314	0.9
235.14825	0.3
236.13205	0.3
237.10339	0.4
237.13940	0.6
247.12358	0.3
249.10220	0.4
249.14005	0.4
251.11790	0.3
259.12451	0.3
261.13821	0.2
286.13617	0.4
294.94687	0.2
295.11368	0.3
312.15051	0.3
312.24234	0.2
314.16547	0.3
337.15839	0.3
375.16278	0.2
387.16058	0.4
388.17642	0.2
389.17715	1.4
396.17700	0.2
401.17734	0.9
402.18433	0.8
403.19312	2.6
404.20020	1.0
405.20877	1.8
414.18692	0.4
415.19171	1.0
416.16412	0.9
416.20541	0.8
417.16599	1.2
417.21432	4.2
418.21927	2.1
419.22574	2.1
428.20407	0.6
429.17038	0.8
429.21518	0.6
430.17413	2.3
431.18054	6.5
431.23615	0.7
432.18808	2.1
433.24420	2.6
443.18774	1.0
444.19193	1.8
445.19958	8.6
446.20947	2.2
447.21527	1.7
455.18564	0.3
457.20407	0.8
458.21204	0.7
459.17548	1.6
459.23083	2.9
460.22968	3.4
461.23636	4.2
471.21915	0.6
472.23215	0.4
473.19479	1.4
473.23898	1.0
474.20255	0.5
474.24875	0.3
475.21332	1.7
477.23132	0.6
487.20496	0.4
487.25339	0.7
488.21933	3.2
489.22833	6.6
490.24069	0.3
491.24567	0.5
501.23151	1.1
502.23874	0.4
503.24704	0.4
504.25412	0.3
505.21606	0.5
505.26547	0.3
515.24286	1.3
517.22424	1.0
518.23248	0.6
519.19830	0.4
519.27582	0.7
523.39764	0.5
531.23651	0.4
531.36768	0.4
532.24817	1.0
533.22974	0.7
543.24219	0.6
545.21545	0.5
546.22791	0.3
547.27423	9.6
557.25500	0.3
561.25006	0.4
575.26520	25.8
576.26880	0.4
578.25958	0.4
603.26141	0.8
606.25024	0.5
607.28998	1.8
635.28613	100.0
636.28766	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	633.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.4
55.05307	1.3
55.05515	12.0
57.07082	12.2
58.98716	1.2
67.05511	14.5
69.06731	1.5
69.07081	15.6
69.19526	8.2
69.19942	3.2
71.04984	2.2
71.08633	8.5
72.63306	1.1
79.05499	13.5
81.06584	1.8
81.07059	26.1
83.04967	2.6
83.08627	12.6
83.34467	1.2
85.06548	1.7
85.10179	4.4
91.05476	8.3
93.07053	14.8
95.04977	2.6
95.08616	21.3
97.06493	2.4
97.10191	7.4
104.87758	1.2
105.07042	10.7
107.04957	2.9
107.08610	14.1
109.06519	1.6
109.10173	6.5
111.11703	1.3
113.00018	5.1
117.07038	5.3
119.08590	8.7
121.06538	2.7
121.10153	6.8
123.11728	6.4
125.05988	1.3
131.08519	1.4
133.10143	3.6
135.11699	14.4
145.10152	12.4
147.11681	9.8
155.34695	1.1
159.11693	1.4
163.11189	16.9
163.23451	1.1
165.12743	3.2
169.02634	3.9
181.12268	3.2
227.12785	30.5
241.17949	1.5
267.15900	8.8
275.20090	4.6
283.15457	1.4
341.30612	2.2
349.23767	1.8
415.88770	1.2
510.48709	1.3
521.38336	100.0
522.38721	1.5
615.49811	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	633.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.8
55.01861	1.5
55.05271	1.1
55.05515	11.9
57.03434	2.2
57.07082	10.8
65.03948	0.8
65.40202	0.7
67.05186	0.9
67.05511	14.7
69.07070	12.7
71.04980	1.3
71.08638	7.2
74.73888	0.7
79.05063	0.9
79.05496	10.5
81.03419	1.6
81.07063	20.2
83.04962	3.2
83.08620	10.7
84.02728	0.8
85.06534	1.4
85.10167	3.2
91.05487	7.0
91.55428	0.7
93.07054	13.0
95.04972	2.3
95.08616	16.3
97.02896	1.0
97.06519	2.5
97.10171	4.6
97.10688	0.7
98.21519	1.5
99.04465	0.8
99.08134	0.8
105.07035	7.4
107.04957	2.2
107.08604	11.4
109.06489	1.7
109.10192	3.6
111.04429	1.1
111.08042	0.8
113.00041	6.2
117.07018	2.6
119.08588	6.9
121.06470	2.4
121.10146	6.9
123.08041	1.1
123.11704	4.8
133.10123	1.5
133.80006	0.7
135.08022	0.8
135.11703	12.6
135.50040	0.7
143.08560	1.0
145.10123	9.7
147.11699	8.1
149.09648	1.2
152.74179	0.7
163.11191	15.4
164.11519	0.9
165.12785	2.5
169.02626	3.2
178.36287	0.7
181.12277	3.1
209.11812	1.4
227.12796	24.1
267.15924	8.3
283.15491	2.2
311.25909	1.0
313.27435	1.3
331.26187	0.9
439.76883	0.7
521.38312	100.0
522.38580	2.0
531.90924	0.7
582.41278	0.8
595.59088	0.8
633.27429	1.5
633.42297	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	630.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
55.05529	0.4
57.07082	5.4
58.06596	1.8
65.03937	0.7
67.05498	0.5
67.30442	0.4
70.06596	14.3
70.78892	1.1
70.79220	0.5
71.08626	1.0
72.08150	0.4
73.57730	0.4
74.06107	0.6
83.04956	0.5
85.10210	0.7
88.07635	18.4
91.05511	0.5
95.04974	0.4
102.09187	14.4
105.07034	0.7
131.04950	0.5
132.02129	0.5
147.04451	0.7
149.02351	29.9
175.03923	1.2
177.05498	1.0
184.20708	0.7
193.04976	39.7
208.69682	0.5
219.06647	0.8
225.05498	0.7
228.23241	39.9
237.07579	10.3
238.07683	0.4
252.62856	0.4
260.14371	0.4
269.04459	1.2
272.25839	1.2
297.04065	1.6
313.06903	2.8
335.82004	0.5
341.06564	8.5
341.10324	0.7
348.88000	0.6
359.07584	6.1
381.42697	0.5
385.09195	18.3
429.11844	26.3
455.77866	0.5
461.37460	0.5
612.31549	1.0
630.32758	100.0
631.33270	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	630.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
54.16282	1.2
55.01867	3.8
55.05512	20.2
57.03444	8.5
57.07061	4.0
58.70723	1.1
61.02893	1.6
65.03943	3.2
65.53501	1.4
65.91919	1.4
67.05510	69.7
69.03426	2.5
69.06725	1.9
69.07070	19.8
71.04998	40.8
71.08640	9.7
71.52948	2.2
76.49301	1.1
79.05502	42.7
81.03403	4.7
81.07062	100.0
82.07390	1.3
83.04989	13.1
83.08624	13.7
84.38176	1.0
85.06546	11.0
91.05487	47.3
93.06489	2.5
93.07053	45.7
95.04980	9.9
95.08611	25.1
97.06542	12.1
97.10159	5.6
99.08083	7.0
105.04443	1.2
105.07034	21.9
106.07380	2.1
107.04951	2.8
107.07864	2.1
107.08599	28.4
107.81588	1.3
109.06506	6.0
109.10165	10.9
111.08088	6.5
117.07000	9.0
119.08583	11.9
121.06480	2.7
121.10142	11.5
123.08076	2.7
123.11718	14.7
125.09592	4.9
129.07008	2.5
131.08588	12.9
133.10138	27.2
135.08038	2.1
135.11707	10.9
137.09680	1.8
139.11139	2.4
143.08528	1.8
145.10143	4.8
146.34741	1.3
147.08121	1.3
147.11662	3.0
149.09610	2.4
149.13260	11.9
151.11185	16.4
157.10139	2.4
159.11691	10.6
161.13264	2.9
163.11191	4.3
165.12817	1.9
171.11650	1.5
177.12749	4.0
179.14343	2.3
183.13791	4.7
187.13338	3.4
189.11244	2.0
194.90675	1.4
195.13857	7.6
198.14844	2.5
201.14905	2.2
227.12766	5.1
243.15900	2.4
251.16328	1.7
257.17529	3.2
259.20602	1.9
267.15854	2.3
268.16226	1.9
269.17563	7.3
277.21494	7.0
301.20102	18.0
349.23492	1.4
351.25302	14.7
403.28342	1.5
419.28247	2.1
427.26981	2.3
433.22974	1.5
437.29034	19.5
451.30560	20.1
463.30664	14.1
495.33215	77.0
501.35571	3.9
519.36884	31.2
533.38403	3.4
545.37988	10.4
556.26355	2.3
577.40607	5.5
595.41919	2.1
598.27747	6.5
631.27307	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	629.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.4
55.01875	6.1
55.05512	34.6
56.05832	3.0
57.03436	7.5
57.07069	11.7
59.04995	5.8
65.03945	3.2
67.05508	75.8
68.05823	2.8
69.03427	3.0
69.07075	25.9
69.95339	5.2
70.07414	1.7
71.04997	6.8
71.08635	19.0
73.06559	2.1
79.05495	44.7
80.05836	3.6
81.03398	3.7
81.07059	68.6
82.07397	5.9
83.04980	4.7
83.08624	18.8
85.06547	4.6
85.10178	5.5
85.81566	1.5
87.04478	5.9
89.06033	19.5
90.06374	1.9
90.64713	1.5
91.05487	32.9
92.05803	3.6
93.07047	46.1
94.07376	4.2
95.04967	6.5
95.08611	39.7
96.08939	2.4
97.06530	7.5
97.10175	14.9
99.08101	9.9
102.05025	1.5
104.55811	1.5
105.07040	39.1
107.08592	27.1
108.08936	2.5
109.06540	4.0
109.10155	22.4
111.08110	4.0
115.05457	2.0
116.08350	1.7
117.07054	15.9
119.08594	34.3
119.09370	3.0
120.08937	3.7
121.10151	15.5
122.10512	2.3
123.08073	3.9
123.11703	11.8
125.09625	8.4
126.82717	1.5
128.06210	2.0
129.06975	9.4
131.08574	31.0
132.08965	1.7
133.08632	11.1
133.10149	20.4
134.08989	2.4
134.10486	2.7
135.08073	2.4
135.11720	8.9
137.09656	3.0
139.11253	1.8
141.06995	2.1
143.08578	15.0
145.10136	23.1
147.08072	1.6
147.11703	14.3
149.09625	4.8
149.13287	4.9
150.09962	2.3
151.11218	5.1
155.08601	5.9
157.10120	9.5
159.11729	14.0
160.12056	2.9
161.13286	9.0
162.13676	1.8
163.11255	3.5
163.14838	3.9
165.12802	3.1
167.08633	1.8
169.10168	5.7
171.11740	7.7
173.11899	2.8
173.13310	8.1
175.14880	6.5
177.11270	3.5
177.12770	3.7
179.14343	2.2
181.10181	2.3
183.11758	3.8
185.13252	5.2
187.13416	2.4
187.14900	6.9
189.11267	5.4
189.16469	2.4
191.17992	2.1
195.11736	2.5
197.13354	5.6
199.14850	7.8
201.12851	1.9
201.16454	7.5
203.14244	2.2
205.19635	2.0
209.13316	3.5
211.14809	3.8
213.16489	5.5
215.17978	3.8
217.19603	2.8
218.98120	2.2
221.13622	1.8
223.14854	2.0
225.16441	3.0
227.12836	6.5
227.18083	3.3
229.14372	4.0
243.15988	2.5
245.22749	2.0
259.20651	3.0
261.22171	3.1
271.24084	1.7
275.20218	5.3
276.20432	6.5
277.21378	3.1
286.28348	1.9
293.21274	2.5
299.23663	2.8
317.24860	3.0
327.27115	2.6
330.30832	1.7
333.24139	2.4
335.25925	5.6
336.26202	4.6
337.26538	2.9
349.23862	3.8
350.24173	2.8
351.24963	2.6
369.31400	3.8
383.33163	3.4
385.34821	5.4
423.32651	3.4
439.35617	2.2
443.35489	2.8
445.10764	1.9
455.86948	1.7
457.36447	2.5
490.36118	3.2
497.36221	3.2
513.39142	5.4
515.37354	38.1
517.38116	2.6
519.42365	4.7
529.38965	6.7
531.40454	3.6
537.43286	4.4
548.92010	1.7
555.43970	6.5
593.45752	6.1
611.46539	59.3
612.47302	2.4
629.47711	100.0
630.48248	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	629.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.5
53.03933	5.2
55.01862	3.6
55.05267	1.6
55.05516	21.7
55.54110	1.2
57.03437	11.9
57.07077	7.8
59.04981	1.4
60.92391	1.1
62.67994	1.2
65.03945	2.4
67.05507	70.4
69.07073	20.9
70.68626	3.1
71.04973	4.2
71.08631	44.7
79.05496	69.2
81.03407	6.2
81.07059	79.4
82.07385	1.5
83.04987	7.9
83.08611	15.8
85.05154	1.3
85.06546	4.1
86.64220	1.3
91.05480	44.8
92.05784	1.8
93.07046	83.1
95.04955	12.3
95.08607	53.8
97.06538	10.5
97.10158	6.2
99.08089	25.5
103.05494	1.4
105.04501	3.1
105.07030	37.6
107.04969	7.3
107.07871	2.2
107.08595	44.1
109.06517	3.7
109.10161	24.8
111.08082	2.8
113.09646	2.1
117.07036	11.9
119.08593	27.2
121.06548	2.6
121.10146	34.5
123.08094	2.6
123.11719	5.6
125.09634	2.9
127.11155	2.4
129.05534	1.6
129.06999	5.4
131.08577	22.2
133.10135	21.0
135.08067	2.9
135.11699	28.7
137.09602	4.6
137.13277	2.6
141.09131	1.3
143.08549	6.4
145.10133	19.2
147.11673	15.3
149.09659	3.7
149.13258	14.7
151.11194	9.9
151.14816	2.1
153.12778	1.7
155.08562	2.3
157.10132	5.7
159.11765	11.3
161.13258	16.2
163.11159	5.6
163.14784	6.8
165.12798	1.5
167.10689	1.4
169.10136	2.8
171.11703	5.6
173.11833	2.8
173.13263	8.0
175.14807	3.6
177.12770	4.0
177.16359	3.6
179.12730	3.1
179.14314	63.6
181.10080	1.5
183.11710	2.4
184.49092	1.3
185.13261	4.9
187.14810	4.3
189.12772	2.0
189.16489	1.6
199.14816	2.0
201.16350	1.8
213.16524	1.9
217.19467	2.2
219.21039	1.6
220.40637	1.3
221.15355	2.7
233.22609	2.3
235.16907	3.0
237.16370	1.4
239.66573	1.3
241.19453	4.2
243.21057	14.3
259.20572	4.6
261.22134	15.4
275.20148	2.8
276.20175	1.6
277.21631	56.1
291.19553	1.9
295.22662	5.3
315.23114	1.2
317.24719	10.8
335.25812	60.4
336.26114	2.0
337.26917	2.4
351.25308	46.1
439.35654	3.4
503.37555	1.8
511.38083	1.7
513.39716	7.7
515.37170	6.5
517.38574	3.8
519.41534	1.7
529.38495	4.1
531.40228	4.0
537.42993	2.7
557.41870	1.4
569.26959	3.1
593.44519	1.4
597.26990	3.2
611.46667	100.0
612.46710	3.7
629.30267	11.9
629.47729	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67904	1.9
53.03948	5.7
55.01871	5.4
55.05509	28.2
56.05839	1.7
57.03436	5.6
57.07082	9.4
59.05003	2.6
59.42390	1.6
61.43149	1.6
65.03942	4.3
66.34340	1.8
67.05508	73.2
68.05846	2.2
69.07072	26.4
69.15590	3.0
69.15993	13.9
70.95134	1.8
71.04996	5.7
71.08636	25.4
78.91758	1.8
79.05495	46.9
81.03418	6.1
81.07057	75.8
83.04989	5.7
83.08626	18.5
85.06548	4.7
85.10179	3.9
87.04490	2.9
89.06036	4.8
91.05482	40.1
92.05811	1.7
93.07043	51.2
94.07401	2.0
95.04980	7.2
95.08611	49.0
96.08952	1.8
97.06540	6.4
97.10189	9.6
99.08080	11.1
103.05496	2.5
105.07035	41.7
107.04954	2.4
107.08600	33.8
108.08954	2.2
108.37315	1.6
109.06538	5.1
109.10161	22.6
110.10559	1.7
111.08097	6.9
113.06025	1.7
113.09650	2.8
115.05524	2.0
117.07028	13.7
119.08576	33.8
121.06510	4.0
121.10155	15.0
123.08112	3.7
123.11736	7.7
125.09634	5.5
129.07036	8.7
131.08568	31.8
133.08604	4.2
133.10132	23.4
135.08109	4.6
135.11700	11.8
137.09593	2.2
137.13290	3.3
139.11191	3.5
139.77321	1.8
141.07053	3.9
143.08563	14.2
145.10118	21.5
146.10461	1.8
147.11691	14.8
149.09648	3.8
149.13268	9.3
151.11192	5.5
155.08565	5.5
157.10156	11.8
159.11688	13.9
161.13266	12.3
163.11197	2.9
163.14883	5.1
165.12785	5.0
169.10167	6.0
171.11635	8.6
173.11847	3.5
173.13312	7.9
175.14891	7.2
177.11353	2.2
177.12820	2.7
177.16443	2.3
181.10213	3.8
183.11722	7.3
185.13344	6.9
187.14857	8.3
189.16431	4.1
195.11800	3.8
195.13937	1.7
197.13353	4.9
199.14824	8.0
201.16467	5.8
203.18053	2.7
209.13368	4.1
211.14912	4.4
213.16420	4.4
215.17975	4.5
218.18903	1.6
221.13425	1.7
225.16364	3.1
227.12753	2.4
227.18062	3.1
229.14391	3.1
231.17670	2.7
231.20903	2.0
237.16359	2.0
241.19572	2.1
243.21184	2.8
255.20912	2.1
261.22183	4.0
263.58768	1.7
265.21643	2.8
271.13345	1.9
273.22101	2.5
275.19925	3.5
276.20389	2.7
277.21735	7.3
285.22006	2.0
291.23181	2.6
299.23730	2.9
309.22101	2.2
327.27100	2.2
335.25928	5.6
336.26187	2.8
351.25363	4.1
407.28568	2.2
408.94809	1.7
411.21219	2.2
422.21136	2.1
423.32693	2.7
424.22485	2.8
425.34045	4.1
439.23822	2.5
439.35794	3.9
441.21329	1.9
455.23462	2.4
455.35251	1.9
459.34717	2.2
497.25577	2.2
497.36224	3.4
498.25876	2.9
499.37650	4.9
513.39673	6.1
515.37360	29.9
517.38892	5.0
519.41827	4.6
527.25684	2.5
529.38947	13.5
531.40314	3.2
537.43152	8.1
543.28674	4.5
543.40961	2.8
555.44281	9.4
585.29626	15.3
586.27576	7.0
587.27710	34.4
593.45837	3.3
601.47906	3.6
611.46619	59.8
629.29248	31.0
629.47705	100.0
630.30042	2.2
630.48077	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	629.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
53.03954	2.5
55.01871	5.6
55.05514	18.3
57.03444	2.1
57.06828	0.4
57.07078	5.0
65.03933	1.4
67.05508	24.8
69.03419	0.5
69.07071	21.9
70.78176	0.6
71.04981	1.4
71.08633	3.9
73.06555	0.5
77.03917	0.4
79.05496	25.1
81.03417	2.6
81.07061	23.4
81.07760	0.5
83.04984	4.2
83.08622	13.8
85.06535	1.5
85.10191	1.0
89.06057	0.4
91.04898	0.6
91.05484	18.7
93.07049	19.5
94.51687	0.3
95.04971	6.0
95.08609	16.3
97.02885	0.4
97.06546	3.4
97.10175	9.4
99.08129	0.8
105.04527	1.1
105.07037	13.4
107.04983	2.7
107.08600	9.4
109.06510	2.1
109.10165	5.7
111.08099	1.7
111.11765	1.5
113.00029	3.9
115.05436	0.4
117.07020	4.4
119.08585	10.2
119.13686	0.3
121.06525	1.0
121.10146	6.1
121.42066	0.3
123.08087	1.0
123.11735	2.1
125.09641	1.3
125.13297	0.3
127.07495	0.4
128.06229	0.7
129.07008	3.7
130.07770	0.6
131.08586	2.8
133.10127	5.0
135.08046	0.6
135.11691	4.5
137.09668	0.6
137.13239	0.5
139.07521	0.5
139.11142	0.4
143.08525	2.1
145.10123	4.7
147.08067	0.5
147.11702	7.4
149.09601	1.0
149.13316	1.5
151.11288	0.5
155.08521	0.4
157.10158	1.0
159.11676	1.9
161.09659	0.9
161.13260	2.6
163.11201	0.9
163.14903	0.6
169.02621	2.0
171.11688	5.1
173.13261	0.6
175.14841	0.6
177.12724	0.7
179.14395	0.4
183.11691	0.5
185.13316	1.1
187.11121	0.4
187.14825	0.4
189.11188	0.8
189.12793	1.8
195.13779	0.4
197.13313	0.5
203.14384	0.4
207.13808	4.8
223.13284	0.3
227.12756	1.3
237.22154	4.4
239.18073	0.4
243.16170	0.4
247.12769	0.4
257.19055	0.9
261.22198	0.4
263.23694	0.6
275.20142	3.7
281.17422	1.7
291.19598	0.7
293.20834	0.4
311.25845	0.4
335.25903	0.6
337.27365	3.9
349.23740	2.6
375.15900	0.4
436.21536	0.4
443.35281	0.6
517.38910	100.0
518.39130	1.6
519.42059	0.5
529.38568	0.6
531.40228	3.0
557.41931	0.9
611.46625	5.5
629.38098	0.5
629.47687	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	629.475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.0
57.03431	0.5
57.07063	1.2
67.05495	1.5
69.07059	1.1
69.81336	1.7
71.08621	1.0
79.05486	1.0
81.07050	1.7
83.08601	0.8
85.10187	0.8
91.05502	0.9
93.07053	1.1
95.08620	1.6
97.09542	0.4
97.10163	0.5
105.07045	1.0
107.08591	0.6
107.12481	0.4
109.10159	0.6
119.08590	0.5
121.10136	0.6
123.11797	0.4
131.08614	0.4
131.44377	0.4
133.10098	0.7
136.03964	0.4
147.11678	0.4
193.55748	0.3
194.76553	0.3
313.27463	1.1
317.20908	3.2
373.23462	2.4
443.31296	0.4
505.19104	0.4
517.38715	1.9
629.47510	100.0
630.47839	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	629.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.01879	4.2
55.05513	21.3
55.22003	0.8
57.03432	3.2
57.07080	5.8
58.51580	0.8
60.23779	0.8
65.03923	1.9
67.05506	31.3
69.07070	22.7
71.08610	3.6
71.13675	1.7
78.79876	0.9
79.05497	27.7
81.03420	4.2
81.07062	31.2
82.07363	0.9
83.04987	5.3
83.08623	15.6
85.06557	1.5
85.10152	1.3
85.65218	0.7
91.05481	20.5
92.05820	1.2
93.06476	1.5
93.07044	21.9
95.04965	5.6
95.08609	20.2
97.06523	3.6
97.10178	9.5
103.05450	0.9
105.07038	14.1
107.01125	0.9
107.04958	3.2
107.08598	9.4
109.06501	1.6
109.10152	7.4
111.08057	1.1
111.11720	1.5
111.22021	1.0
112.99997	5.9
115.05421	1.0
115.21162	0.9
117.07043	4.4
119.08599	8.8
121.06500	1.6
121.10146	5.9
123.08067	2.5
123.11678	1.8
128.06216	1.7
129.07019	4.3
131.08563	3.8
133.10138	6.2
135.11713	5.2
143.08553	4.4
145.10132	7.2
147.08046	1.3
147.11687	8.0
149.13269	1.4
159.11598	2.0
161.09583	2.4
161.13348	2.4
169.02629	3.5
171.11714	5.2
189.12724	1.6
205.12299	0.9
207.13753	3.3
233.15514	0.9
237.22099	5.2
251.73140	1.0
255.17667	1.2
273.18338	1.0
275.20071	1.9
293.20514	0.9
337.27106	1.6
339.28873	1.4
368.33331	0.8
375.15491	0.9
395.72656	0.8
441.27515	1.0
517.38904	100.0
518.39020	2.7
531.40277	5.5
611.45874	3.3
629.47119	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	629.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75707	0.7
53.03937	3.2
55.01867	3.6
55.05272	1.5
55.05516	22.9
57.03429	2.1
57.07081	5.6
65.03926	1.6
67.05509	29.9
69.07069	22.0
71.08649	4.0
71.09737	1.1
71.10053	1.5
76.90347	0.9
79.05496	24.8
81.03403	3.4
81.07058	27.1
83.04985	5.4
83.08629	14.3
85.06545	1.7
85.10193	1.5
89.06013	0.8
91.05483	20.8
93.07045	19.8
94.61685	0.8
95.04971	6.9
95.08611	17.8
97.06531	3.0
97.10168	7.8
105.04541	0.9
105.07040	12.1
107.04955	1.7
107.08578	9.7
109.06517	2.6
109.10166	6.7
111.08092	1.0
111.11720	2.8
113.00031	4.7
117.07025	4.0
119.08597	6.6
121.06449	1.2
121.10152	5.7
123.08000	1.0
123.11689	2.0
129.06996	2.8
131.08539	1.6
133.10147	4.8
135.08022	1.6
135.11697	6.5
143.08543	2.3
145.10123	3.0
147.11696	6.7
149.13287	1.7
159.11746	2.0
161.13249	3.9
169.02615	2.6
171.11699	4.7
177.11111	1.1
189.12794	1.7
207.13857	4.0
237.22173	3.6
273.18472	1.3
281.17572	1.5
287.22458	1.0
291.19595	1.0
293.21048	1.6
307.81311	1.0
337.27209	1.4
349.23590	1.4
400.11618	0.9
517.38916	100.0
518.39136	2.1
531.40875	5.0
611.46472	1.2
629.47504	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	629.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60129	0.5
55.01925	0.7
55.05597	1.6
57.03491	0.6
58.82605	0.4
59.34756	0.5
64.95667	0.6
67.05603	4.7
69.07164	1.0
71.05079	0.8
71.53477	0.7
79.05606	2.5
79.92421	0.6
81.07182	4.0
81.41023	0.5
82.07466	0.7
83.05056	0.9
83.08722	1.2
91.05615	2.4
93.07175	2.6
95.05095	0.6
95.08736	1.6
96.09057	0.7
97.06651	0.6
97.10325	0.7
105.07186	2.3
107.08702	1.2
109.10289	1.5
117.07202	0.8
119.08668	1.0
121.10269	0.9
129.07201	0.5
131.08716	1.1
133.10262	1.2
133.52419	0.5
135.11794	0.9
145.10229	1.0
147.11847	1.1
149.13408	0.6
159.11838	0.8
197.13521	0.6
269.17441	0.6
293.21329	1.3
301.20316	0.7
410.13785	0.9
411.14624	1.2
424.15463	1.9
425.16080	5.3
426.16864	3.1
427.17825	2.6
437.16476	1.1
438.17203	1.8
439.18094	10.9
440.18570	6.7
441.18951	2.5
442.20425	1.7
452.14276	4.4
453.15512	33.2
454.21182	4.4
455.20874	41.4
456.21091	2.0
458.19589	0.6
466.16339	1.9
467.17062	31.4
468.17682	9.2
469.22754	0.8
481.18280	4.8
482.19318	29.7
483.20303	2.5
485.17996	0.9
486.19180	0.6
494.18878	1.7
495.20715	2.4
499.19794	0.6
508.19540	1.3
509.22012	1.6
510.19104	0.5
512.20746	1.3
513.21246	1.6
514.22552	0.7
524.21796	1.2
525.23029	1.4
526.22083	1.3
528.23724	3.6
536.36359	0.7
540.19543	0.7
541.24603	3.4
553.22107	18.4
554.21704	1.1
568.20056	0.7
569.24017	100.0
570.24286	4.5
597.23718	1.5
600.22156	2.6
601.26355	3.6
610.45581	0.9
614.23627	0.6
629.25958	88.2
630.26483	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	629.2248
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
64.77995	0.4
67.05627	0.6
70.87534	1.1
70.87885	0.6
73.18090	0.5
73.77391	0.4
74.36833	0.5
74.70381	0.5
81.07204	0.6
91.05662	0.5
93.06700	0.5
93.07200	0.8
107.08817	0.4
118.01541	0.4
137.72627	0.4
160.71329	0.4
182.42702	0.5
191.24062	0.5
202.08942	0.5
314.45929	0.5
384.12784	0.5
396.12631	1.2
397.12946	2.2
398.14151	1.3
399.14624	1.1
400.15427	1.1
409.13168	0.9
410.13617	3.7
411.14587	6.6
412.15308	5.3
412.19547	0.4
413.16162	5.3
423.14801	1.7
424.15677	1.9
425.11484	0.8
425.16425	14.6
426.16995	9.3
427.17670	3.7
428.18695	3.4
437.16534	0.5
438.13483	3.0
438.18103	1.1
439.13675	23.6
440.13766	0.9
440.19226	8.0
441.19339	45.0
442.19846	1.4
443.17310	0.5
451.13861	0.8
452.14151	2.8
453.15411	26.1
454.15778	6.2
456.18253	1.7
457.15430	0.7
465.15533	0.6
466.16748	1.3
467.17194	28.0
468.17984	22.0
469.18973	11.0
470.19565	0.8
471.16962	1.3
472.17908	0.9
480.16119	0.6
481.14606	9.8
482.15811	1.4
484.21716	4.3
485.18362	1.8
485.22604	0.8
486.18811	0.8
494.16937	0.5
495.16483	1.7
495.21866	1.0
496.17383	11.4
497.17825	2.9
498.18945	1.5
499.19861	1.5
500.20630	6.2
508.19482	0.7
509.18857	1.3
510.19904	0.6
512.21283	2.8
513.21838	7.2
514.21722	0.7
523.19867	2.2
525.21710	0.7
526.18555	0.5
527.19513	0.5
528.20148	1.5
531.22174	0.8
537.18597	0.8
541.20923	47.4
542.21112	1.9
551.19214	0.7
553.21564	0.9
565.89941	0.6
568.19171	0.7
569.20343	100.0
570.20728	3.9
572.19025	0.6
573.23596	2.8
597.19714	35.2
598.19989	1.6
600.22144	1.5
601.23041	15.3
629.22253	90.0
630.22559	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	628.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24002	1.5
53.03942	2.8
55.01857	3.7
55.05510	10.8
57.03431	6.3
67.05513	25.2
68.23263	1.5
69.07085	9.2
71.04987	1.8
71.08634	13.8
71.52883	1.5
79.05059	2.4
79.05496	25.9
81.03420	32.7
81.07062	33.3
83.04984	4.8
83.08624	11.5
91.05488	21.4
93.07052	25.8
94.07382	2.3
95.04968	11.9
95.08619	17.8
97.06545	5.9
97.10184	3.2
99.08085	8.6
105.07030	14.5
107.04945	5.1
107.08611	17.2
109.06547	2.5
109.10168	8.8
111.08091	4.1
117.06994	5.2
119.08588	13.4
121.06497	2.0
121.10152	14.4
123.11714	2.2
125.09633	2.5
126.91098	1.9
129.06999	4.2
131.08546	5.8
133.06448	1.5
133.10152	10.2
135.08032	1.8
135.11681	13.3
145.10097	4.7
147.11676	6.7
149.09653	4.2
149.13347	3.4
151.11169	5.4
157.10103	6.1
159.11661	3.4
161.13254	6.6
163.11166	5.2
165.12772	2.2
173.13382	1.5
175.11153	4.0
179.14333	29.9
185.13213	1.6
189.12801	1.9
193.12238	5.6
211.13380	2.0
235.16803	2.0
249.14973	1.6
253.14383	1.8
267.13031	2.4
267.15927	46.5
269.17413	2.5
276.20566	2.7
277.21640	20.6
292.19189	3.7
295.22687	2.2
335.25961	1.5
349.23813	2.1
350.23907	1.9
351.25272	19.1
408.68369	1.5
543.36859	100.0
586.26593	2.0
610.45514	3.9
624.48169	1.7
628.29779	3.0
628.46649	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	628.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.7
55.01872	14.3
55.05518	39.4
55.43713	2.5
57.03426	10.8
57.03685	2.8
57.07057	3.4
63.70300	2.3
65.03941	4.6
67.05510	94.9
68.05819	9.4
69.03418	4.1
69.07068	33.0
69.16438	25.9
71.05003	12.7
79.05075	4.5
79.05502	77.9
80.05796	7.7
81.03426	26.7
81.06590	5.0
81.07065	100.0
82.07389	7.7
83.04974	10.5
83.08630	23.2
85.06541	5.4
89.15125	2.6
91.05488	67.4
92.05795	4.8
93.06477	4.6
93.07052	74.3
94.07365	9.3
95.04958	16.5
95.08617	54.8
96.08939	6.3
97.06538	18.0
97.10155	11.2
99.08086	3.5
103.79366	2.7
105.04511	2.8
105.06403	3.9
105.07047	57.2
106.07329	4.4
107.04960	14.0
107.08601	48.1
108.08925	4.7
109.06503	8.5
109.10155	23.6
110.10479	5.1
111.04488	3.0
111.08063	8.4
113.09634	3.6
115.05450	3.8
116.07053	6.8
117.07043	29.6
119.08594	40.5
120.08889	7.2
121.06515	4.9
121.10159	29.9
122.10483	2.6
123.08084	4.6
123.11699	10.9
125.09615	10.9
125.25989	2.9
129.07028	15.4
131.08578	28.2
132.08926	6.1
133.06474	2.8
133.10129	33.1
134.10403	4.3
135.08005	2.8
135.11707	16.5
137.09587	5.6
141.06952	3.1
142.07713	3.2
143.08516	9.9
145.10129	29.4
146.10484	5.3
147.11723	17.5
148.12029	4.0
149.09624	11.9
149.13217	7.5
151.11208	3.9
155.08617	4.3
157.10150	14.0
159.11684	16.3
160.12077	4.0
161.09608	3.3
161.13272	7.0
163.11159	10.2
165.12726	3.2
167.08559	4.3
168.48724	3.7
169.10124	5.8
171.11667	8.8
173.11804	3.2
173.13229	6.9
175.14828	2.9
177.12733	2.8
179.14299	4.4
183.11671	8.2
185.13223	6.8
187.11169	2.5
187.14790	7.0
189.11208	3.4
189.16472	3.3
193.12173	4.6
195.11647	4.1
197.13290	4.9
199.14816	5.6
211.14897	4.3
213.16418	2.5
223.14870	3.5
227.12839	21.8
228.13219	3.0
229.14264	2.9
255.34149	2.5
257.19092	4.1
259.20633	8.4
267.15909	8.1
269.17358	3.8
275.20084	27.3
276.20468	15.7
283.15170	3.2
293.20956	5.2
299.23813	4.1
333.24286	5.0
335.25790	9.0
336.26212	7.3
339.98349	2.6
349.23734	11.2
350.24097	7.1
351.25302	4.3
433.31104	5.9
507.34500	4.6
517.35016	14.4
525.35767	31.5
536.41321	4.2
543.36847	37.8
557.38403	6.0
575.39325	16.5
610.37408	3.2
610.45483	34.7
628.36694	4.6
628.46497	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	628.442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.9
55.01874	6.0
55.05514	27.2
57.03440	11.2
57.07068	6.2
59.04996	1.7
59.36403	1.6
60.45728	1.6
65.03939	3.3
67.05507	75.7
68.05825	5.1
69.03414	2.5
69.07069	27.2
70.66009	3.9
70.66360	1.6
71.04998	35.1
71.08641	9.9
79.05067	3.3
79.05495	46.8
79.72859	1.6
81.03418	5.0
81.07063	100.0
82.07426	3.5
83.04993	8.1
83.08626	14.5
84.76314	1.7
85.06542	8.8
85.10188	2.8
91.05486	56.0
91.68282	1.6
92.05803	3.5
93.07048	47.3
94.07419	3.0
95.04995	8.2
95.08611	33.0
95.16558	2.0
97.06549	12.3
97.10173	7.0
98.09662	1.8
98.10542	1.8
99.08098	6.3
105.07041	44.3
106.07349	4.5
107.04936	6.8
107.08599	31.1
108.08938	2.8
109.06514	5.4
109.10171	16.2
110.10506	2.2
111.08076	4.2
117.07043	15.2
118.07389	1.8
119.08578	24.9
120.08949	3.4
121.06475	5.4
121.10140	15.4
123.08082	3.2
123.11701	13.1
125.09634	5.5
129.07001	5.1
131.08586	20.8
132.08913	3.8
133.10132	30.8
134.10480	2.2
135.08084	3.3
135.11723	13.2
137.09608	2.3
143.08577	7.0
144.09019	2.4
145.10126	14.9
146.10454	2.7
147.11679	14.1
149.09598	5.5
149.13258	9.6
151.11185	9.4
154.58180	1.8
157.10147	6.6
159.11702	16.9
161.13246	8.0
163.11177	4.1
167.10649	2.2
169.10144	4.5
171.11664	6.6
172.11986	2.5
173.13263	7.8
175.11282	2.7
175.14766	2.7
177.12744	4.7
179.14322	2.8
182.10486	1.8
183.11726	1.9
183.13797	6.0
185.13219	3.6
187.13290	4.1
187.14822	4.1
189.11256	2.7
189.12817	1.9
190.08984	1.9
195.13788	6.3
197.13283	2.2
199.14882	2.9
201.14775	2.4
209.13309	2.8
211.15074	1.6
215.79730	1.7
218.55750	2.0
227.12791	4.1
241.19675	1.7
243.15956	3.5
247.20744	2.2
257.19281	1.9
259.20612	6.2
262.31339	1.9
269.17438	10.0
275.20035	18.8
276.20511	7.8
285.21921	2.0
293.21140	47.3
301.20154	18.0
310.68887	1.8
333.24246	5.8
335.25797	4.1
336.26196	5.6
349.23694	6.9
350.23944	2.7
367.24835	6.9
439.17807	2.3
451.30591	8.5
453.15588	6.3
455.21036	9.2
466.16336	4.7
467.17105	9.0
481.18829	25.9
482.19092	6.4
495.33261	12.2
501.35672	16.8
516.37634	2.5
517.35095	6.6
527.37012	2.2
535.36249	32.8
536.41760	3.0
549.37701	7.1
553.21149	2.1
559.39819	3.7
561.37762	9.3
569.23907	12.8
593.40613	8.6
610.45477	26.0
628.25299	29.4
628.46399	28.3
629.26215	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	628.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.01873	0.4
55.05511	2.2
57.03435	4.4
57.07072	0.4
61.02932	3.8
62.05178	0.2
65.03920	0.3
66.73175	0.2
67.05508	13.1
68.64038	0.2
68.77162	0.2
69.03418	0.8
69.06733	0.3
69.07071	4.2
70.06595	0.2
70.83944	0.2
70.84283	0.4
71.01350	0.3
71.05006	1.3
71.08612	0.4
73.02924	1.2
77.03910	0.2
78.64693	0.2
79.05498	5.7
81.03403	0.9
81.07063	17.5
83.04987	1.4
83.08625	3.7
85.02425	0.3
85.02909	4.6
85.06543	1.4
85.30379	0.2
91.03952	3.7
91.04893	0.2
91.05482	3.6
93.07049	13.2
95.04963	0.7
95.08609	4.6
97.02896	2.6
97.06538	3.1
97.10146	0.4
99.04456	0.6
99.08106	1.2
105.07035	1.2
107.04981	0.3
107.08597	6.9
109.02885	0.3
109.06524	0.9
109.10172	1.0
111.08081	2.2
113.06001	0.3
113.09599	0.3
117.07004	1.7
119.08570	0.8
121.06565	0.3
121.10148	5.3
121.11023	0.3
123.08064	0.4
123.11728	0.3
127.03922	1.9
131.08589	1.9
133.10141	2.1
135.08057	0.4
135.11703	2.6
139.11148	0.4
145.04974	1.4
147.11691	0.4
149.09656	0.3
149.13268	13.0
151.11224	0.2
157.10161	0.2
159.11699	5.1
163.06027	1.9
167.07024	0.7
167.14307	0.3
177.12752	3.1
184.72719	0.2
195.13812	4.7
213.14847	0.6
228.94930	0.2
251.16388	0.2
269.17484	100.0
270.17798	0.9
308.99008	0.3
342.06082	0.2
358.52484	0.2
377.19705	0.3
413.21912	1.0
431.22809	3.1
466.12122	0.3
593.27277	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.7
52.69517	1.5
53.03947	7.8
55.01879	22.8
55.05517	27.7
57.03438	8.4
57.07062	4.1
60.96671	1.2
65.03934	5.7
67.05510	86.0
69.03419	2.0
69.07076	41.1
69.19738	14.6
71.04995	5.0
71.08620	1.4
72.90071	1.3
75.55513	1.3
77.03917	1.8
79.05497	59.2
81.03442	8.5
81.07063	83.8
83.05001	11.1
83.08614	11.4
85.06549	4.6
85.57703	1.4
89.06067	2.5
91.05487	68.5
92.05829	1.7
93.07050	63.7
95.01325	10.1
95.04979	13.7
95.08613	55.7
97.06538	40.2
97.10148	6.7
98.21512	3.4
99.08109	1.7
103.05463	2.9
105.04552	2.4
105.07040	90.1
107.04965	18.1
107.08593	28.2
109.06550	8.3
109.10156	19.4
111.04487	1.9
111.08081	3.1
113.09663	2.3
115.05454	1.5
115.67199	1.4
117.07030	18.0
119.08593	42.0
121.06488	5.1
121.10155	21.0
123.04398	2.2
123.08089	5.3
123.11723	5.2
125.09639	3.2
129.06992	4.3
131.08574	27.4
133.06549	1.7
133.10143	48.8
135.08063	5.4
135.11685	14.0
137.09633	3.4
137.13284	1.6
138.33675	1.4
139.07509	1.9
141.07034	2.6
143.08562	4.2
145.06482	3.2
145.10149	20.9
147.11693	19.7
149.09619	8.5
149.13263	4.5
151.07536	2.1
151.11169	1.9
155.08594	2.1
157.10124	4.8
159.11720	13.0
161.09634	2.4
161.13289	7.9
163.11237	5.6
163.14903	2.5
165.09123	2.9
165.12717	1.9
169.10159	2.6
171.11684	4.9
173.13246	6.9
175.14832	1.9
177.12778	5.2
177.16437	2.8
179.14368	14.6
183.11736	3.1
185.13341	1.8
187.11128	1.8
187.14815	2.3
195.13779	1.4
197.13239	2.8
215.17976	1.9
219.17468	13.1
229.14235	2.2
235.09860	1.5
239.18045	1.4
243.20857	1.7
247.20584	3.0
247.34010	1.5
257.19009	10.2
261.22266	2.2
275.20068	100.0
277.21686	2.0
291.19556	3.5
293.21140	5.4
324.37646	1.7
335.25842	61.7
338.28046	2.1
349.23718	26.0
361.48212	1.8
513.39478	1.9
515.37189	4.2
609.45160	90.9
610.45331	3.6
627.46045	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	627.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.6
55.01622	1.4
55.01874	14.0
55.05513	35.3
57.03439	8.1
57.07073	2.1
58.79909	0.9
59.05000	1.3
62.50787	1.1
65.03936	5.5
67.05509	99.1
69.03439	2.6
69.07072	33.0
71.04999	6.6
71.08639	1.6
71.33117	0.9
71.53865	1.8
79.05498	76.0
81.03416	3.5
81.07063	100.0
83.04984	8.3
83.08618	16.9
85.06567	3.1
91.04901	2.0
91.05488	62.0
93.07050	73.4
95.04984	9.6
95.08613	62.2
97.06537	18.6
97.10176	11.4
99.08112	2.1
103.05525	1.3
105.04537	3.1
105.06320	1.1
105.07037	49.9
107.04965	13.4
107.08604	51.1
109.06516	10.8
109.10158	29.6
111.08107	5.9
117.07030	18.0
119.08585	39.9
121.06503	2.1
121.10148	30.6
123.08103	6.0
123.11703	10.3
125.09653	9.0
128.06235	1.2
129.07034	8.7
130.07800	1.3
131.08574	26.3
133.06538	1.7
133.10133	33.1
133.11084	2.1
135.08076	4.2
135.11691	19.7
137.09575	5.2
137.13220	2.6
139.11201	2.3
141.07005	2.2
142.07826	1.2
143.08566	9.5
145.06476	1.4
145.10149	24.0
147.08078	1.3
147.11703	23.2
149.09631	15.2
149.13266	9.7
151.11220	3.9
155.08562	4.5
155.10652	1.2
157.10115	9.4
158.10997	1.4
159.11700	17.0
161.09665	1.9
161.13280	9.2
163.11183	10.0
163.14865	3.7
165.12755	3.0
167.08574	1.4
169.08942	1.1
169.10092	5.8
171.11667	8.8
173.09592	1.2
173.11896	2.2
173.13271	11.4
175.11174	2.5
175.14864	4.2
177.12755	2.1
177.16502	1.7
179.14455	2.6
181.10193	1.7
181.12370	1.0
183.11688	5.8
185.13275	5.9
187.11223	2.0
187.14792	5.4
189.11238	5.1
189.12746	1.2
189.16481	1.4
193.12346	2.3
195.11777	2.1
197.13237	5.0
199.14883	4.8
199.23355	1.5
201.16446	3.3
203.12747	1.6
207.13896	1.9
209.13365	2.0
211.14923	2.0
213.16443	2.8
215.17926	2.2
223.14766	1.4
225.16415	1.9
227.12848	7.6
229.19655	3.3
237.16681	1.2
239.18005	4.9
241.19569	1.8
243.21240	2.5
247.20648	3.5
257.19046	9.1
259.20633	4.7
261.22208	6.3
267.15985	2.9
275.20084	51.5
277.21738	3.6
291.19812	1.3
292.19162	2.7
293.21393	5.0
308.66476	1.1
311.23648	1.1
313.21805	1.9
317.24814	3.2
325.15842	1.8
331.22705	2.1
333.24442	3.6
335.25812	47.3
342.29041	1.1
347.26355	1.1
349.23688	24.4
349.27576	1.8
351.25873	1.4
367.24731	1.3
429.07425	1.4
431.31967	1.3
505.35620	1.7
515.37280	2.1
517.40466	1.4
529.38672	2.1
535.23480	1.6
535.41772	4.7
553.42493	2.7
567.23846	1.1
577.24475	2.2
609.27972	11.4
609.45178	48.0
627.28040	3.3
627.46124	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.7
55.01873	5.1
55.05264	2.8
55.05515	29.0
57.03443	12.7
57.07073	7.6
59.70715	2.1
60.73537	1.8
65.03932	3.7
67.05511	69.5
69.07076	24.9
71.05001	4.8
71.08640	55.9
71.26454	2.7
73.06606	2.3
79.05499	60.5
79.05960	3.1
81.03410	4.0
81.07063	71.8
83.04968	5.7
83.08635	13.6
85.06543	4.8
91.05489	58.8
93.00938	2.0
93.07054	65.8
95.04975	8.3
95.08620	51.0
97.06530	9.1
97.10176	9.3
99.08102	38.1
105.04537	3.2
105.07039	56.0
107.04971	6.2
107.08602	41.4
109.06493	4.8
109.10172	19.5
111.08104	2.9
113.09624	2.7
117.07043	19.9
119.08596	42.9
121.06509	3.7
121.10149	28.5
123.08064	4.8
123.11687	5.4
125.09680	3.4
127.11166	2.7
128.06256	3.2
129.07011	17.4
131.08582	32.8
133.10135	33.7
133.11115	3.1
135.11705	19.1
137.09624	3.8
141.06963	2.3
142.07791	2.5
143.08575	21.5
145.10146	28.8
147.11702	27.1
149.09653	5.9
149.13280	12.0
151.11201	12.5
153.12782	2.4
155.08563	10.5
157.10106	16.6
159.11703	23.6
161.13264	29.7
163.11237	8.2
163.14864	5.4
167.08603	3.1
169.10172	9.2
171.11694	22.7
173.11870	3.5
173.13232	18.6
175.14876	13.5
177.12781	2.7
179.14340	39.5
181.10223	4.3
183.11746	6.5
185.13286	16.1
187.14819	10.0
189.12752	2.8
189.16400	3.0
195.11725	6.2
195.13757	1.9
197.13306	8.5
199.14841	9.1
201.16522	2.8
209.13353	4.7
211.14861	5.4
213.16376	3.8
215.18010	2.9
217.19586	3.4
221.13356	2.3
223.14909	4.7
231.21104	3.8
235.16968	3.4
237.16460	3.3
239.18156	3.1
241.19525	25.7
243.21147	3.7
257.19101	4.8
259.20615	36.6
261.22211	2.4
261.56250	2.2
275.20154	6.2
277.21625	39.6
279.73395	2.0
293.21219	3.2
295.22791	4.2
297.22131	3.7
310.06189	2.2
315.23260	8.4
333.24240	42.4
335.25784	4.5
341.25113	2.2
349.23969	4.3
351.25333	44.6
388.86685	2.2
419.33118	6.1
435.32788	3.8
437.34229	17.7
447.61169	2.3
493.36755	2.6
511.37769	15.0
513.35828	6.3
514.08429	2.2
515.37457	2.4
517.40570	6.4
529.38849	3.5
535.41797	7.8
553.42706	4.8
591.44702	2.1
609.45160	86.5
627.46240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39795	1.1
51.65666	1.0
53.03944	2.0
55.01865	1.5
55.05518	5.8
57.03429	1.6
57.07071	3.6
58.80582	1.0
61.02917	1.2
67.05210	1.1
67.05509	10.4
68.99776	1.2
69.03433	9.9
69.07075	15.9
69.69305	3.2
69.69719	2.9
70.17985	1.1
70.45732	1.2
71.04978	2.6
74.92402	0.9
79.05511	4.9
81.03426	6.6
81.07066	32.1
83.04974	3.2
83.08617	3.6
85.02914	17.7
85.06550	72.3
87.00479	0.9
87.00843	10.0
88.88260	1.0
91.05486	4.2
93.07047	10.2
95.04942	1.5
95.08613	21.3
97.02916	5.5
97.06523	10.6
97.10160	2.6
98.25417	1.0
99.04439	2.9
99.08110	8.6
101.06026	1.3
105.01896	4.9
105.07043	10.7
107.08610	12.5
107.44998	1.2
109.02869	5.9
109.10169	14.5
111.08080	8.1
111.11707	3.8
113.09632	2.5
119.08588	8.1
121.10159	11.0
123.11722	11.6
125.09653	2.4
127.03941	10.1
127.11171	1.8
133.10126	4.8
135.11688	4.1
137.09645	1.2
137.13203	1.4
139.11188	3.6
145.04948	4.5
147.11710	10.4
149.13278	4.9
151.11156	2.3
153.12720	1.8
159.02888	2.2
161.13272	2.3
163.14819	3.1
165.12752	4.5
167.14406	1.0
167.39214	1.0
177.16420	1.6
195.17473	2.5
203.17984	6.5
213.18564	3.3
221.19025	11.6
227.20076	1.4
231.05031	2.7
239.20079	100.0
244.86583	1.1
249.06058	2.5
257.21127	5.9
267.15948	2.8
268.63281	1.3
277.25464	1.4
285.17029	10.4
286.08054	1.7
287.08237	1.8
289.25281	4.5
295.26202	2.9
307.26413	7.0
324.62595	1.2
325.27356	9.1
343.28430	4.7
357.49063	1.1
451.23688	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34001	0.8
53.03952	0.8
55.01854	1.0
55.05499	2.8
57.03448	3.5
61.02939	4.3
67.05513	9.5
69.03432	0.8
69.07066	4.2
69.70087	4.6
71.05005	1.5
73.02912	1.7
79.05495	5.0
81.07065	29.0
83.04967	3.0
83.08633	4.1
84.08058	0.7
85.02911	5.7
85.06539	2.3
91.03944	3.1
91.05484	7.8
93.07055	4.9
95.04974	1.7
95.08609	6.8
97.02885	2.4
97.06530	3.5
98.21473	1.6
99.04489	0.7
99.08102	1.8
101.06048	0.7
105.07040	11.8
107.04938	1.0
107.08595	5.7
109.02940	0.8
109.06521	2.4
109.07536	0.8
109.10191	1.2
115.07568	0.8
119.08595	9.6
121.09431	1.1
121.10159	10.1
121.60249	0.7
123.11722	14.4
127.03915	2.2
127.07572	1.5
129.05615	0.9
133.10139	2.0
135.11667	0.9
137.05922	1.2
141.09100	0.9
145.04944	1.7
147.11699	31.9
152.13148	0.8
157.10217	1.5
163.05959	2.2
165.12770	13.7
167.07021	8.4
175.11198	1.9
181.05006	1.8
183.13872	2.2
184.15060	0.9
193.12256	1.2
229.14369	4.9
239.20003	1.4
267.15936	35.8
285.16992	100.0
287.13629	0.7
312.13040	1.3
339.15356	0.8
417.15396	0.9
447.22238	2.3
627.24353	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01871	1.7
55.05523	4.1
57.03438	4.2
57.07069	1.5
58.93638	0.6
59.73149	0.5
61.02938	4.0
65.76960	0.6
67.05173	0.8
67.05509	10.5
69.03428	1.8
69.06740	0.6
69.07074	9.5
69.31301	3.0
69.31702	1.5
71.04988	2.5
73.02921	1.3
73.81252	0.5
79.05504	5.3
81.03416	1.9
81.07062	37.1
83.04985	3.8
83.08620	4.5
85.02905	7.7
85.06075	1.1
85.06544	12.7
87.00811	0.9
91.03947	2.4
91.05489	9.6
93.07057	6.1
95.04953	2.1
95.08613	10.7
97.02912	3.2
97.06540	4.5
97.10191	0.7
99.04440	1.8
99.08090	3.0
101.06026	1.1
105.01837	1.1
105.06395	1.0
105.07040	14.8
107.08604	8.4
109.02855	1.7
109.06509	2.7
109.10153	3.5
110.29083	0.7
110.93160	0.6
111.08092	3.2
111.11715	0.8
113.06013	1.2
119.07802	1.0
119.08588	10.9
121.10146	10.8
123.08092	1.7
123.11713	17.1
127.03922	3.0
127.07558	2.2
131.08615	0.7
133.10115	2.2
135.11665	1.2
137.05988	1.6
137.13255	1.8
139.11258	0.7
141.09134	0.7
144.02715	0.5
145.04967	1.9
147.11697	37.9
150.06744	0.6
151.11238	0.7
157.10114	1.7
161.13202	0.7
163.06017	1.4
163.14784	0.8
165.12764	17.9
165.57556	0.6
167.14156	0.6
169.27103	0.5
171.13808	0.6
175.11211	1.6
183.06444	0.6
183.13835	1.3
193.12248	1.8
203.17952	0.7
213.18596	0.8
221.19040	1.2
229.14354	6.3
239.20062	12.0
257.20990	0.8
262.39035	0.6
267.15927	28.2
285.16977	100.0
286.17465	0.8
307.26492	1.6
325.27319	2.9
343.28339	0.9
366.46964	0.6
411.20395	0.7
429.21143	2.0
447.22372	6.0
477.34650	0.6
478.78467	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2816
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.01833	0.4
62.99022	0.3
67.05502	1.3
69.07067	0.5
70.02943	0.7
70.03446	1.3
79.05487	1.0
81.03400	0.3
81.07040	0.9
91.05477	1.6
93.07021	0.6
95.08621	0.6
98.21512	0.4
99.82824	0.4
105.07027	0.9
106.06572	0.4
107.08620	0.7
108.08087	0.5
109.10159	0.4
117.07009	0.4
119.08643	0.5
120.04505	0.4
129.06960	0.4
130.06561	0.6
131.07352	0.9
131.08577	0.5
134.05971	0.4
136.07591	1.5
139.96649	0.3
146.09682	0.7
164.27402	0.3
172.07503	0.4
174.07787	0.6
174.09134	3.4
183.11815	0.4
184.11397	0.3
185.07066	0.4
186.09105	0.5
187.08771	0.6
187.12332	3.2
188.10751	1.1
189.10216	0.6
190.05009	0.7
197.07086	0.5
197.10753	0.9
198.07768	0.5
198.09357	0.5
199.08583	0.5
199.12242	0.6
200.09476	0.6
211.08705	1.1
211.12405	0.4
212.09407	0.6
213.10233	0.7
215.11780	2.5
222.09206	0.5
223.08739	0.8
224.09453	0.6
225.10219	2.5
226.10916	0.7
227.11804	2.2
235.08672	1.2
237.06709	0.4
237.10289	0.7
239.11790	2.1
240.12555	0.6
241.09801	0.9
241.13397	2.3
243.11313	19.7
247.08630	0.5
248.09286	0.4
249.10266	1.4
251.11801	1.5
253.09801	1.4
254.10469	0.5
261.10233	0.5
263.11771	0.9
265.09824	0.9
266.10492	0.5
267.11337	6.1
267.15729	0.4
269.12866	1.6
277.09811	1.7
279.11465	0.9
279.73407	0.4
284.11993	0.4
285.12329	1.8
291.11292	0.5
293.12952	0.6
295.10739	2.4
299.14063	1.4
301.12561	0.6
301.15598	3.2
302.12924	0.6
304.10995	0.7
309.12393	1.7
311.13992	0.6
312.11871	0.5
313.12515	0.5
314.12939	1.3
315.13611	0.5
316.10864	1.1
316.14465	0.9
317.11743	0.7
318.12567	0.7
319.10727	1.1
320.13785	0.6
323.13800	0.5
325.15506	5.7
326.12930	0.5
327.13461	4.2
328.10818	1.6
328.14514	1.1
329.11670	1.0
329.15277	0.6
330.12457	1.9
330.16006	0.7
331.13327	0.5
334.15634	0.8
336.13568	0.4
341.11835	0.8
342.12396	3.0
342.16187	1.0
343.13037	2.5
344.14044	2.3
344.17862	0.6
345.14859	0.6
346.15680	1.5
348.13358	2.9
351.13022	0.8
352.14307	0.5
354.16214	0.5
355.13333	1.0
356.13870	2.7
356.17810	0.5
357.14996	1.1
358.15613	2.6
359.16360	0.4
362.15189	0.4
366.18478	0.5
368.13721	0.6
370.15591	1.7
371.16373	0.8
372.17087	2.9
384.17212	1.1
386.14798	1.0
386.18835	1.6
388.16724	0.5
390.14301	0.6
390.18790	0.5
394.17645	0.4
398.15164	0.8
399.16010	0.7
400.16638	2.0
402.14246	0.6
403.16263	0.7
406.18787	0.5
407.19345	0.9
412.16473	0.9
416.16016	0.9
418.17798	1.1
419.18884	0.8
420.16751	1.2
421.16757	1.2
422.17859	0.9
423.17993	0.7
430.17886	1.2
431.18497	1.3
432.19577	2.5
434.13715	0.7
434.20953	0.5
435.14371	1.0
436.20261	0.8
437.19925	0.9
445.20044	0.8
446.20999	0.8
447.22870	2.0
447.30411	0.7
449.15372	0.7
449.20590	0.8
450.16821	1.1
451.17606	1.5
460.18817	0.9
461.24304	1.8
462.24078	1.9
463.21027	1.8
465.18848	9.9
474.20166	0.6
475.21246	0.6
476.19092	0.4
477.19562	1.3
478.20349	0.5
479.20599	4.9
480.21667	3.5
481.22546	3.1
489.22803	1.2
490.19955	1.1
491.20676	1.1
492.21579	2.6
493.22977	3.7
494.23123	0.5
504.21588	1.3
505.22491	1.0
506.23419	0.7
507.24118	3.3
508.21335	1.5
517.22479	0.8
518.20990	0.6
520.20728	1.0
521.21307	0.7
524.24878	0.7
535.23407	4.9
539.26892	0.5
541.24695	0.6
549.24994	9.0
552.23438	0.7
553.24512	1.5
563.23419	0.7
567.26074	42.9
568.26758	0.6
577.24176	1.1
581.26953	0.5
595.25537	31.6
609.26923	0.7
627.28119	100.0
628.28223	1.8
630.44409	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.0
61.64970	1.1
67.05516	4.2
68.27818	1.0
69.03453	0.8
69.07065	1.4
69.22475	1.7
69.22811	9.4
79.05495	2.5
81.07069	4.1
82.57098	0.9
91.05478	3.5
93.07035	2.2
95.08614	1.2
98.21616	1.6
105.07018	2.7
107.08623	2.1
109.10183	1.0
119.08570	1.6
119.38638	0.9
121.10156	1.1
127.15382	1.1
129.06996	1.6
153.26764	1.0
174.09152	3.6
180.47087	1.3
187.08609	1.4
187.12344	4.5
188.10770	2.7
190.86642	1.0
210.09242	1.3
211.08748	2.6
215.11949	1.9
224.09354	1.0
225.10336	2.8
227.11844	2.3
234.68123	1.1
235.08792	1.2
237.10251	1.9
239.11908	2.8
241.13487	4.4
243.11307	27.0
249.10307	1.4
251.11803	3.0
253.09831	1.4
253.13464	1.5
267.11383	6.5
277.10071	1.0
285.12387	1.9
291.11368	1.2
293.12827	1.1
295.10745	2.2
304.10855	1.0
309.12799	1.1
314.12930	1.5
316.10785	1.9
319.10855	1.7
325.15573	10.8
327.13547	3.7
328.10944	1.8
328.14517	1.2
329.11658	1.8
330.12491	3.8
331.12961	1.7
334.15631	1.1
342.12509	1.9
343.13324	3.7
344.13989	4.2
345.14874	2.0
346.15717	1.9
348.13522	4.3
351.13181	1.4
355.13513	1.2
356.13968	3.2
357.15009	1.5
358.15594	4.8
362.14847	1.1
370.15607	2.9
372.17218	4.8
374.14981	1.9
384.17050	1.4
385.17880	1.7
386.14874	2.0
398.14874	1.2
400.16739	3.0
403.16013	1.5
407.15042	1.6
412.16681	1.8
416.15878	1.3
422.17682	1.5
423.18356	1.2
431.18533	1.5
432.19559	4.9
435.14288	1.9
437.20099	2.1
445.20258	1.2
447.22476	2.1
449.20459	1.4
451.17300	1.7
460.18658	1.4
461.23593	2.3
462.24771	1.9
463.22089	4.7
465.18817	15.4
478.20087	1.1
479.20688	5.7
480.21594	5.1
481.22540	3.1
490.20685	2.1
491.20862	1.9
492.21765	4.0
493.22150	4.4
494.22998	1.1
504.21411	1.6
507.24069	4.0
508.21039	1.8
517.22601	2.3
520.21082	1.6
521.25690	1.8
535.23138	9.1
539.26764	1.2
549.24890	13.1
567.26086	80.5
568.25861	1.3
577.24469	2.4
595.25525	100.0
596.26099	2.3
627.28149	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	627.2815
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
54.71636	1.2
55.05505	3.9
66.88311	1.3
67.05502	8.9
68.05836	1.1
69.03436	1.3
69.07079	4.8
71.53506	2.0
79.05502	6.9
81.03423	1.9
81.07056	11.9
83.08632	2.9
91.05479	7.7
93.07075	7.0
95.04947	1.3
95.08614	5.3
97.06562	1.3
97.10167	1.8
105.07028	3.4
106.42829	1.3
107.08599	4.8
109.10191	2.4
117.07011	2.6
118.06544	3.8
119.08617	2.8
121.10136	2.6
123.11669	1.9
131.08591	2.7
133.10147	3.8
135.11687	2.1
137.53343	1.1
143.08624	1.2
145.10083	1.6
147.11674	2.0
149.09596	1.4
157.10161	1.6
162.09203	1.6
183.11694	1.6
196.64757	1.1
210.11598	1.6
211.12376	1.5
214.79373	1.4
224.13309	1.7
225.13921	3.4
230.15454	2.8
238.14513	1.4
239.15508	2.9
275.14917	1.3
275.20123	3.1
277.45593	1.3
290.16562	2.7
291.19711	1.8
292.19174	6.9
293.19437	3.9
302.16718	1.4
319.16953	1.4
330.16092	1.2
332.17673	2.0
334.18970	1.4
335.25903	2.4
348.21100	1.6
375.19699	1.8
378.18430	1.9
389.20859	4.0
392.19598	2.6
393.20596	3.6
405.20651	1.7
406.21472	2.0
407.22018	5.4
408.22931	8.0
412.16437	1.5
417.21039	1.6
420.23218	5.9
421.24014	2.1
433.24326	1.9
448.18546	1.4
452.21600	1.6
459.21689	1.5
461.19406	1.5
462.19980	1.7
463.20911	8.5
475.21143	3.0
476.20294	2.2
477.22766	4.2
480.25238	2.5
491.24567	3.3
503.24655	1.5
509.25473	2.5
531.23773	3.5
533.25745	9.5
535.23462	16.5
536.24225	2.0
549.25232	6.3
551.26550	2.8
565.28180	2.3
577.24487	43.6
591.25787	5.0
595.25616	11.0
609.27045	100.0
609.43262	3.0
626.43652	5.8
627.28107	17.9
627.45056	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	627.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01870	2.8
55.05510	6.4
57.03439	1.9
57.07078	1.5
61.76802	0.7
63.02929	1.1
67.05510	15.2
67.40611	0.7
69.07076	6.6
69.82793	3.9
71.04989	1.5
71.08640	2.8
79.05501	11.3
81.03423	1.0
81.07063	14.7
83.04983	1.3
83.08626	2.8
83.38606	0.6
85.06531	1.2
91.05486	9.2
92.05811	0.9
93.07052	10.1
95.04966	1.9
95.08621	10.0
97.06542	2.7
97.10194	1.6
99.08105	1.7
105.07036	9.3
107.04967	1.6
107.08611	6.4
109.10157	5.3
111.08125	0.9
117.06995	3.9
119.08595	8.0
121.06492	0.8
121.10157	3.4
123.08093	0.8
123.11746	2.0
125.09644	1.6
129.07068	1.7
131.08568	5.1
133.10149	6.8
135.10831	0.8
135.11742	2.7
141.06982	1.0
143.08582	3.5
145.10136	5.2
147.11688	4.6
149.09648	2.4
149.13255	2.3
151.11224	1.0
155.08580	1.8
157.10182	2.4
159.11742	2.9
161.13330	2.1
163.11211	1.6
169.10162	1.4
171.11784	1.9
173.13297	2.3
175.14891	1.0
179.14288	0.8
183.11745	1.6
184.12050	0.9
185.13332	2.8
187.14749	0.8
189.11305	1.2
189.16438	0.7
195.13756	0.7
197.13301	1.3
199.14937	1.5
209.10870	0.7
209.13351	0.8
211.14827	1.0
213.16452	1.2
218.58604	0.7
223.14819	1.2
227.12764	1.2
227.18076	1.0
237.22336	0.9
257.19119	0.9
259.20657	1.1
274.22272	0.7
275.20200	3.2
277.21725	2.0
288.57660	0.8
333.24399	1.3
335.25885	3.1
349.23895	1.8
365.17810	0.8
367.19476	0.8
367.74997	0.8
376.72708	0.8
381.21176	1.4
383.22629	1.3
393.20877	1.0
395.18649	1.2
405.17294	0.9
407.18546	1.4
409.20404	1.0
410.21048	0.9
411.22006	0.9
419.18594	1.2
421.20432	2.1
422.21069	1.4
425.24008	1.0
434.21661	1.6
435.22269	1.5
437.23633	4.7
438.20898	1.5
439.21744	1.0
447.21918	1.8
448.22287	1.0
449.23590	4.2
450.24515	1.5
451.21490	1.0
453.22940	11.5
454.23785	0.9
463.25034	2.5
465.23154	1.7
469.26297	3.8
473.22946	0.8
475.21277	4.7
476.22302	1.7
479.24460	1.6
483.24109	1.4
490.24210	0.8
493.21939	0.9
495.34491	1.0
497.25693	5.6
507.24127	3.1
508.25046	1.0
512.27905	6.4
513.35675	1.7
515.37628	2.7
521.25970	1.4
522.26294	3.3
523.27148	7.6
525.24738	4.4
529.39001	1.8
531.23981	1.7
535.23767	0.8
539.26733	2.9
540.27362	29.7
549.25024	4.2
550.25446	1.2
567.25922	7.7
585.26373	0.8
591.26251	3.6
595.25714	1.4
609.27173	3.2
609.45233	8.9
626.45032	1.2
627.28223	100.0
627.45001	21.2
628.28510	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	627.2814
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
53.03933	1.2
55.01861	1.4
55.05516	4.5
57.03434	1.3
57.07070	0.9
65.03959	1.0
67.05510	10.0
69.07067	3.4
71.04979	0.5
71.08627	1.2
79.05062	0.8
79.05496	8.7
81.03400	0.8
81.07059	9.4
83.04983	1.0
83.08616	2.2
85.06554	0.9
91.05480	6.3
93.07049	7.0
95.04944	0.6
95.08616	6.8
97.06546	1.0
97.10182	1.0
98.21576	0.7
99.08086	0.6
102.02776	0.4
105.07040	6.3
107.04938	0.6
107.08591	5.3
109.06527	0.8
109.10159	3.2
111.08103	0.6
117.07014	2.6
119.08587	4.7
121.10158	3.5
123.11726	1.3
125.09704	0.7
128.06209	0.4
129.07034	1.6
131.08580	4.2
133.10141	3.6
135.11696	1.2
137.09615	0.5
141.07039	0.6
143.08557	2.8
145.10132	3.7
147.11684	2.5
149.09641	0.9
149.13312	0.8
151.11220	0.8
155.08548	1.2
157.10072	2.2
159.11711	2.1
161.13289	1.2
163.11166	0.4
165.12762	0.4
167.08640	0.6
168.08043	0.4
169.10155	1.4
171.11682	2.2
173.13216	2.1
175.14844	1.0
177.12920	0.5
180.10107	0.4
181.10097	0.6
183.11772	1.0
185.13300	1.8
187.14941	0.6
189.12785	0.4
189.59450	0.4
195.11766	0.8
197.13310	1.2
199.14925	0.9
201.16348	0.6
209.10786	0.8
210.11482	0.4
211.14966	0.8
213.16556	0.5
221.10669	0.5
223.12387	0.6
227.12808	0.5
227.18057	0.7
237.16321	0.5
239.17996	0.6
241.19710	0.6
243.21164	0.7
247.12444	0.7
249.14111	0.4
257.19150	0.8
259.20676	0.4
261.22037	0.6
275.20038	2.7
313.15799	0.4
335.25778	1.0
349.23798	1.1
353.18066	0.8
363.16208	0.6
364.17398	0.7
365.18011	0.8
367.19360	1.8
376.17175	0.6
377.18225	0.6
379.19418	0.6
381.21207	0.7
391.19266	1.2
392.20184	0.7
393.21326	0.6
395.18469	2.2
397.20016	0.5
405.21143	1.0
407.18253	0.9
407.22800	0.9
408.19434	1.1
408.40036	0.4
409.20346	1.2
410.20975	1.5
411.21576	0.6
417.17456	0.7
418.17432	0.6
419.18253	0.8
419.23032	0.7
420.19666	1.1
421.20120	2.3
422.21469	0.8
423.18362	1.0
423.32684	0.6
424.22656	0.6
425.23627	1.2
432.19382	0.9
433.20389	1.4
434.21158	1.3
435.22250	2.0
436.23117	1.0
437.23822	4.6
438.20676	2.8
439.21301	1.3
445.20468	0.5
446.21991	0.5
447.22604	2.2
449.23642	4.7
450.24261	1.2
451.21347	1.5
452.22568	0.9
453.22842	10.5
454.23846	1.4
461.23932	0.8
463.20544	0.8
463.25256	1.5
465.23682	1.9
467.24747	0.6
469.20148	0.6
469.25815	3.1
473.23224	1.1
475.21277	6.2
476.22110	1.4
477.22949	0.7
479.24808	0.9
480.25644	0.6
483.23914	0.8
489.22968	0.5
490.23611	1.0
491.24469	0.9
493.22375	1.2
497.25525	5.2
501.22769	1.2
503.20959	1.6
507.23923	3.4
508.24985	0.8
511.26761	1.4
512.27838	5.2
513.35938	0.6
515.37433	1.2
517.22021	0.7
517.40729	1.0
521.25507	1.5
522.26257	4.9
523.27240	6.9
524.24524	0.5
525.25159	5.3
527.36987	0.8
529.38971	1.3
531.23895	2.8
535.41418	1.3
539.26526	1.5
540.27356	27.2
549.24969	4.6
550.25098	0.6
551.26526	1.4
553.42804	0.6
567.26178	6.9
568.26892	0.5
581.27484	0.6
583.29633	1.0
585.26910	0.7
591.25977	4.2
595.25317	1.4
609.27063	6.0
609.44989	7.6
627.28192	100.0
627.44543	14.6
628.28687	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	627.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.6
55.02018	1.3
55.05379	2.4
55.05678	1.3
57.03333	1.2
57.03579	0.8
57.06976	0.7
58.47235	0.6
67.05361	7.8
67.05764	2.9
69.06918	4.6
69.07336	1.7
69.95946	2.1
71.04881	0.7
71.08533	0.6
79.05332	7.1
79.05836	1.9
81.06895	10.3
81.07429	2.3
83.04847	1.4
83.05279	0.7
83.08495	1.2
85.06368	0.8
86.54595	0.5
91.05308	7.3
91.05928	1.1
91.06282	0.7
93.06865	6.7
93.07499	1.3
95.01180	0.7
95.04783	1.8
95.08427	6.2
95.09083	1.0
97.06339	3.1
97.10049	1.0
99.07966	0.9
105.06845	7.3
105.07600	1.0
107.04755	1.9
107.05421	0.5
107.08408	4.7
109.06387	0.8
109.09974	2.9
117.06816	2.4
118.45538	0.5
119.08384	5.1
121.06329	0.6
121.09953	2.8
123.07961	0.7
129.06816	0.9
131.08359	3.6
132.07909	0.9
133.09926	5.3
135.11487	2.3
135.12421	0.7
137.09424	0.7
143.08391	1.0
145.09900	3.0
147.11481	2.1
149.09520	1.1
149.13106	1.2
149.14359	0.6
151.10983	1.4
157.10007	1.3
159.11450	2.0
161.13081	0.9
163.07047	0.5
163.10989	1.3
165.12657	0.7
169.09962	0.6
171.11505	1.4
173.13107	0.8
175.14650	1.1
177.12575	1.1
179.14310	4.6
189.10020	1.3
195.09045	0.7
221.10600	1.3
223.12125	1.5
225.13699	1.1
232.09531	1.2
235.12096	1.6
237.13818	0.7
238.14613	0.8
239.15396	0.8
247.20409	0.8
249.13693	1.5
250.31714	0.6
257.18808	0.8
261.12997	0.6
275.20068	9.2
277.21429	1.6
287.21515	0.6
288.14548	0.7
289.15601	0.8
290.12762	0.7
290.16345	0.6
293.20932	1.1
313.15469	0.7
314.16534	0.8
318.15811	1.3
335.25726	4.9
338.16159	0.6
340.17819	0.9
349.23929	2.7
351.16275	0.7
352.17258	1.9
353.17667	3.4
354.18845	1.7
365.17575	1.6
366.18796	1.9
367.15155	0.7
367.19397	4.2
368.20383	1.1
369.16812	0.8
369.21365	1.0
379.19058	2.5
380.20581	0.8
381.16461	2.7
381.20782	2.2
382.17661	1.7
382.21854	0.8
383.22198	2.4
391.15350	0.7
393.21014	1.3
394.22055	1.1
395.18427	3.5
395.22525	1.4
396.19263	1.6
397.20108	3.2
406.18011	0.6
407.18427	2.2
408.19553	0.9
409.20587	2.8
410.21091	1.3
411.22171	5.4
412.22260	1.9
419.18561	0.9
421.20157	2.0
422.21191	3.3
423.22260	3.8
424.22275	2.5
425.19736	8.3
435.21982	0.8
436.22089	0.9
437.24127	2.8
438.20279	3.3
439.21365	6.5
440.22162	5.3
452.22025	0.8
453.22855	4.0
454.23901	2.0
455.20184	1.2
467.24338	0.7
468.25336	0.8
469.20813	1.3
469.26169	2.6
470.23148	2.4
479.20526	0.9
480.21609	0.8
481.21710	1.6
482.22934	1.1
483.24783	3.4
494.23141	0.9
495.23962	1.4
496.24884	1.5
497.25253	12.3
498.26297	5.5
509.25290	2.3
511.23071	2.9
524.24243	0.8
525.24829	2.5
526.25848	3.1
529.38843	1.3
541.28125	12.1
551.26459	1.1
556.22986	1.1
569.23846	1.3
583.29224	15.3
584.26196	11.5
585.27087	100.0
586.27399	1.5
599.28351	1.3
609.45093	7.8
626.45355	0.6
627.28143	74.3
627.45831	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	627.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.2
57.03436	0.4
57.19231	0.1
57.78914	0.1
61.02930	4.5
68.99779	0.4
69.03426	0.6
70.47020	0.2
70.47360	0.3
71.05000	1.2
73.02916	1.2
80.80888	0.1
81.03406	0.4
85.02912	5.0
91.03961	2.1
95.04935	0.2
97.02895	2.3
99.04462	0.2
107.04932	0.3
109.02891	0.6
111.00814	0.8
115.03980	0.2
121.02886	0.6
123.04467	0.2
127.03928	1.2
129.05467	0.3
135.04434	0.2
137.02344	2.7
139.03928	0.2
145.04999	0.6
149.02348	0.5
153.01833	3.1
161.05949	0.3
163.03943	0.4
164.66454	0.2
165.01834	1.4
166.02589	0.2
173.06020	0.3
179.03439	0.2
181.82632	0.1
183.02919	0.7
183.04356	0.1
187.03854	0.2
191.03421	0.2
195.02882	0.4
201.05502	1.2
205.04951	0.2
213.05585	0.2
217.05032	0.2
219.02957	0.2
219.06589	0.2
229.04973	3.3
235.06169	0.2
247.06035	0.5
251.38908	0.2
257.04477	2.5
274.04715	0.5
285.03934	1.2
287.05289	0.2
289.06607	0.2
303.05005	100.0
304.05341	0.7
319.04501	4.4
369.06491	0.2
445.36783	0.2
465.10336	11.4
481.09671	0.7
610.33270	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	627.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02852	0.2
57.03427	0.5
60.24536	0.2
61.02927	4.1
63.49928	0.2
68.99802	0.3
69.03426	1.2
70.06608	0.2
71.04993	1.0
71.52494	0.2
73.02917	1.3
80.17610	0.2
81.03410	0.4
85.02910	5.9
91.03964	2.0
91.05495	0.2
95.04945	0.3
97.02896	2.3
98.93944	0.2
107.04920	0.3
109.02881	0.5
111.00804	0.9
111.95367	0.2
114.70362	0.2
121.02855	0.7
123.04420	0.3
127.03905	1.0
137.02359	2.8
137.05998	0.2
139.03925	0.2
145.04948	0.6
147.04358	0.4
149.02280	0.5
153.01822	3.1
161.06065	0.2
163.03868	0.7
165.01836	2.1
166.02643	0.4
173.05949	0.3
178.75323	0.2
183.02902	0.7
195.02933	0.4
201.05528	1.4
219.02888	0.2
219.06541	0.3
229.04947	3.4
247.06020	0.6
257.04453	2.8
274.04678	0.8
275.69208	0.2
285.03912	1.3
288.43381	0.2
289.06909	0.3
303.04993	100.0
304.05344	1.2
319.04468	3.5
341.26401	0.2
424.45120	0.2
465.10291	12.0
466.10413	0.2
481.10068	0.4
538.57672	0.2
553.32275	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	627.1562
Annotation	Myricetin 3-rutinoside
Peak:m/z	Relative Intensity
55.05497	0.3
57.03444	1.8
59.04967	0.3
60.37475	0.2
61.02912	0.8
61.84422	0.2
63.20250	0.2
68.99794	0.9
69.03439	1.1
69.79740	1.2
71.01370	0.2
71.04998	10.6
73.02902	0.4
75.04456	0.2
76.21045	0.2
81.03400	0.7
83.04971	0.6
85.02911	14.4
87.04444	0.4
91.03922	0.3
97.02918	1.7
109.02842	1.0
111.00788	1.4
111.04440	0.4
121.06512	0.2
125.02368	0.2
127.03943	1.1
129.05493	3.3
130.91922	0.2
137.02356	1.3
145.04964	0.8
147.04396	0.3
147.06534	1.0
153.01842	8.1
153.05423	0.3
154.02255	0.2
165.01854	2.1
166.02563	0.4
177.05415	0.3
179.03508	1.2
183.02907	0.8
189.05511	0.4
195.02904	0.4
203.03413	0.4
207.02954	0.3
217.04991	2.3
219.10083	0.3
235.02299	0.3
245.04492	4.0
255.02975	0.6
273.03955	3.4
287.05518	7.2
287.08038	0.3
288.05832	5.8
289.06079	6.7
290.04156	0.7
301.03430	1.0
303.05029	1.7
303.07999	0.4
319.04498	100.0
320.04834	0.9
361.05670	0.3
465.10199	0.4
481.09973	0.7
510.00629	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.8
55.01871	5.7
55.05508	17.9
57.03429	6.9
57.07081	8.6
59.05013	2.7
60.04528	3.2
61.02940	3.2
63.46839	2.4
67.05509	26.2
68.99792	3.2
69.03431	23.3
69.06728	3.8
69.07073	43.9
69.07421	4.7
70.06588	4.0
70.11857	5.2
70.12223	4.4
71.05001	13.4
71.08638	4.5
73.02928	2.7
79.05490	15.5
80.44569	2.4
81.03422	24.8
81.07063	100.0
83.04984	8.7
83.08624	18.4
85.02916	41.9
85.06560	8.9
86.09720	3.6
87.00838	13.9
87.04460	2.5
91.05489	21.8
93.07054	41.5
95.04973	13.8
95.08617	61.5
97.02898	13.1
97.06542	10.1
97.10158	6.6
99.04469	9.6
99.08112	8.3
103.03961	6.6
105.01876	10.0
105.07037	22.8
106.05037	6.6
107.04960	3.3
107.08607	33.4
109.02893	17.0
109.06519	8.6
109.10164	42.1
111.08092	11.1
111.11723	9.4
111.23061	2.4
116.18891	2.1
119.08587	21.5
121.10159	32.4
123.04417	4.1
123.08075	5.0
123.11707	39.4
125.09659	3.6
127.03924	31.6
127.07587	2.4
127.11246	5.6
131.04938	3.6
131.08559	6.0
133.06511	2.7
133.10127	10.2
135.11700	20.7
137.06010	8.4
137.09630	4.0
137.13274	20.1
139.11208	3.6
145.05003	7.1
145.10162	7.7
147.04506	2.4
147.11694	32.4
149.09537	2.8
149.13271	13.4
151.11139	2.6
151.14853	3.4
153.05452	3.5
153.09123	2.3
153.12776	17.3
157.10088	3.3
159.02936	4.2
159.11713	8.2
161.13269	6.6
163.11168	4.6
163.14828	3.9
165.12816	11.0
167.07091	3.1
171.13902	2.6
173.13255	4.9
173.15442	3.0
177.16357	3.2
179.07161	4.3
187.13403	2.5
191.06938	2.9
193.12213	3.7
198.94774	2.4
199.72693	2.3
201.16446	2.8
215.92220	2.9
229.14401	3.1
231.04915	4.0
239.20308	2.5
257.04529	8.9
267.15945	17.2
271.24283	5.3
277.25259	6.8
285.17007	7.8
286.04700	7.8
287.05600	6.6
288.05991	3.7
289.05798	3.0
289.25375	18.3
294.95670	2.4
295.26385	19.0
307.26334	55.8
313.27301	4.7
323.25989	4.2
324.26489	3.8
325.27319	30.1
343.28510	10.7
361.29642	2.8
393.19131	5.3
411.20248	8.2
415.28107	3.5
429.21228	36.3
447.11035	4.0
447.22437	3.7
454.27530	3.1
465.11942	25.4
479.18335	2.5
503.10138	2.4
537.31012	4.8
555.31274	5.8
627.29181	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	625.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.7
53.03945	2.5
55.01875	8.7
55.05264	1.8
55.05515	23.5
57.03434	6.2
57.07073	2.5
59.05005	1.6
65.03932	2.3
67.05508	44.3
69.03423	2.0
69.07069	23.7
71.04997	4.9
71.08661	1.0
76.36893	0.9
79.05497	30.6
81.03422	3.4
81.07059	40.6
83.04986	5.0
83.08624	14.0
85.06541	3.8
91.05482	31.4
93.07045	29.4
95.04977	4.0
95.08611	25.9
96.44884	0.9
97.02884	1.0
97.06535	9.7
97.10173	11.0
98.20615	1.7
99.08101	1.5
103.05443	1.4
105.07031	28.6
107.04990	3.2
107.08595	22.5
109.02920	1.1
109.06554	3.2
109.10169	14.6
111.08067	3.0
115.05435	2.2
117.07025	13.9
119.08582	22.6
121.06538	2.3
121.10149	10.8
123.08089	1.3
123.11707	8.5
125.09637	5.8
128.06233	3.8
129.05533	1.2
129.07004	13.3
130.07724	1.9
131.08572	24.2
133.06535	1.5
133.10147	16.6
135.08063	3.0
135.11732	8.1
137.09601	1.9
139.11174	0.9
141.07008	7.0
142.07785	3.2
143.08557	17.8
145.10133	19.6
147.08046	1.6
147.11679	9.6
149.09650	4.6
149.13271	2.9
151.11209	1.2
153.07062	1.2
154.07826	2.1
155.08553	10.4
156.09378	1.2
157.10124	18.0
159.08070	1.2
159.11694	13.9
161.09694	2.4
161.13261	7.2
163.11217	4.2
165.07034	1.6
167.08585	4.4
168.09323	1.3
169.10127	11.9
170.10962	1.8
171.08049	1.8
171.11681	12.8
173.13254	9.3
175.11191	1.5
175.14857	3.2
177.12743	1.1
179.08597	2.8
180.09421	1.3
181.10103	8.9
182.10953	1.3
183.11693	11.9
184.12354	1.5
185.09737	1.4
185.13257	10.9
187.11212	1.6
187.13298	2.9
187.14876	5.1
189.11237	3.4
189.16397	1.2
192.09402	1.7
193.10199	2.1
195.11777	7.8
195.13570	1.6
196.12604	1.2
197.13300	11.1
199.11211	1.5
199.14812	5.7
201.16382	2.1
207.11774	3.9
209.13246	7.6
211.14867	8.4
213.12782	1.0
213.16364	4.5
215.14293	1.4
219.11827	1.7
221.13324	4.1
223.14862	4.7
225.16481	5.4
227.12718	5.8
227.18105	2.2
229.14182	1.3
229.19510	1.7
233.13156	1.1
235.14886	2.6
237.16507	2.8
239.14351	1.3
239.18028	3.9
241.19720	2.6
243.15973	4.2
249.16537	1.7
251.18019	1.8
253.19708	2.2
257.19073	2.9
259.20572	5.7
263.17963	1.9
265.19528	1.5
267.21240	2.0
269.17410	1.5
273.18683	1.1
275.20169	6.5
287.05557	1.9
309.22260	1.4
311.23651	1.7
315.23257	1.7
327.22906	1.0
333.24350	2.9
347.23456	1.1
349.23776	5.2
361.25366	1.2
363.26950	1.1
365.28613	4.9
367.26068	1.8
381.31686	2.2
383.29639	2.3
403.29977	1.0
421.31210	3.7
437.34338	1.4
439.32211	3.0
445.23697	1.1
445.29770	1.8
463.30878	3.3
495.34851	1.6
497.37503	1.4
499.33893	1.2
513.35840	17.4
515.38751	7.4
527.37512	2.6
533.39862	10.2
537.35693	1.4
543.36542	1.2
551.40906	4.5
589.42529	3.6
607.34949	1.6
607.43567	38.8
619.88916	1.1
625.26941	4.0
625.44629	100.0
626.44794	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	625.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
55.01873	8.0
55.05267	1.9
55.05513	28.1
57.03450	7.0
57.07069	4.3
59.05000	1.8
65.03941	2.7
67.05507	62.6
69.03431	3.7
69.07072	25.6
71.04990	6.2
79.05496	39.1
80.05844	1.4
81.03419	4.2
81.07059	57.1
83.04964	5.6
83.08627	15.7
85.02916	2.7
85.06543	3.9
91.05485	39.8
93.07045	37.0
94.07400	1.3
95.04973	7.6
95.08609	37.0
97.02898	1.8
97.06527	9.9
97.10174	9.0
97.10747	1.7
97.30682	1.2
103.05438	1.4
105.07031	40.4
107.04955	4.9
107.08601	27.2
109.06517	4.6
109.10162	21.3
111.08082	4.8
115.05448	2.5
117.07018	20.0
119.08588	29.3
121.06552	2.5
121.10140	15.5
123.11685	6.8
125.09652	5.9
128.06270	3.9
128.95790	1.3
129.07019	15.1
131.08582	26.8
133.06505	2.1
133.10132	24.3
135.08092	5.1
135.11713	11.3
137.05994	1.6
137.09642	2.7
141.06963	7.7
142.07800	3.5
143.08582	19.5
145.06479	3.2
145.10135	25.7
147.08105	2.9
147.11700	14.8
149.09639	5.2
149.13261	5.1
151.11143	1.4
154.07707	1.5
155.08522	10.3
156.09370	2.5
157.10121	18.7
159.08101	2.6
159.11691	17.3
161.09677	2.8
161.13304	5.5
163.11209	3.3
163.14844	1.8
165.07005	1.9
165.12810	2.6
167.08551	4.7
167.14241	1.6
168.09337	3.4
169.10141	15.4
170.10912	1.9
171.07976	1.7
171.11702	18.0
173.09650	2.6
173.11867	2.0
173.13298	8.1
175.11276	1.5
175.14827	3.9
177.12770	1.8
179.08626	2.5
181.10141	8.5
182.10960	1.2
183.11688	12.2
185.13269	10.2
187.11252	1.6
187.14853	4.3
189.12714	1.5
193.10202	2.3
195.11684	4.9
196.12448	1.5
197.13287	10.5
199.11235	2.9
199.14781	9.3
201.12791	1.5
201.16405	2.1
203.14363	2.1
207.11758	3.4
208.12553	1.2
209.13292	8.1
211.14755	6.6
213.16411	3.9
215.17934	1.3
221.13315	4.2
223.14835	5.0
225.12732	1.5
225.16458	3.9
227.12868	3.1
227.18085	1.7
231.17464	1.7
234.13968	1.5
235.14970	2.3
237.16354	2.9
239.17963	4.2
241.19582	2.8
243.16020	1.9
249.16446	1.8
251.17940	2.5
257.19095	4.1
259.20624	5.4
265.19611	1.9
267.16049	1.7
273.18701	1.4
275.20081	11.5
277.21573	1.7
287.05472	5.5
303.23087	1.3
311.23782	1.9
315.23276	3.0
317.06876	2.9
325.21631	1.4
327.23184	1.9
333.24203	4.0
335.23486	1.6
341.24918	1.6
343.26315	1.9
349.23956	4.8
353.24780	2.8
355.26218	1.5
363.26440	1.6
365.28574	2.5
371.25833	3.4
379.30054	1.9
381.31668	2.6
383.29507	1.6
389.27045	2.0
403.29962	1.9
421.31046	3.0
431.23190	1.7
439.32260	2.4
445.29523	17.5
463.30505	10.0
497.37418	1.8
505.40701	1.5
513.35736	15.3
515.38715	8.0
527.37384	3.3
533.40051	9.6
551.41028	8.1
555.36877	2.0
567.40851	1.9
589.42462	2.6
607.35583	1.2
607.43640	41.9
625.36029	3.5
625.44641	100.0
626.44598	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	625.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.9
52.09981	0.6
53.03946	2.4
54.99605	0.7
55.01875	7.5
55.05517	22.6
55.76874	0.7
57.03439	6.4
57.07076	3.1
59.04992	1.5
65.03952	3.5
67.05510	49.8
69.03426	1.3
69.07076	20.0
69.25430	3.3
69.25863	3.4
71.05002	3.8
75.87990	0.6
76.87965	0.6
77.03950	1.0
79.05500	33.1
81.03426	1.3
81.07063	41.3
83.04991	4.4
83.08621	13.0
84.89503	0.6
85.06555	2.8
91.05486	31.4
93.03408	0.9
93.07049	33.2
95.04987	7.7
95.08614	25.2
97.06535	8.1
97.10178	9.7
97.98947	0.6
99.08084	1.4
100.08569	0.7
103.05470	1.0
105.04538	1.0
105.07040	31.0
107.04980	3.2
107.08601	20.9
109.06535	4.4
109.10170	15.9
111.08102	3.1
111.11729	0.8
113.06052	1.2
115.05455	2.2
117.07017	14.9
119.08594	22.9
121.06534	1.9
121.10155	14.3
123.08077	3.2
123.11725	6.7
125.09663	5.1
128.06204	4.5
129.07018	14.9
129.07939	1.3
130.07816	0.7
131.08578	21.4
133.06522	1.6
133.10149	19.5
135.08041	4.5
135.11714	8.4
137.09668	1.6
137.13264	1.4
141.06982	7.3
142.07808	4.0
143.08574	17.3
144.09413	1.0
145.10138	20.2
147.08109	2.0
147.11699	12.0
149.09669	2.9
149.13235	4.6
151.11177	2.3
153.07062	1.9
154.07762	1.5
155.08562	10.0
155.10646	0.9
156.09381	2.4
157.10130	15.9
159.08119	1.4
159.11702	14.0
161.09669	2.4
161.13269	6.2
163.11232	1.5
163.14751	0.9
165.06963	1.7
165.12810	0.8
166.07843	0.9
167.08574	4.6
168.09329	1.2
169.10150	13.3
170.11069	0.9
171.08015	0.9
171.10280	1.0
171.11696	13.9
173.09683	1.2
173.11810	1.3
173.13252	10.6
175.11215	1.2
175.14877	2.2
177.12813	1.7
179.08630	2.8
179.14368	1.3
180.09430	0.8
181.10167	7.6
182.10941	1.0
183.11710	13.8
185.13248	11.5
187.11266	1.6
187.13278	1.6
187.14879	5.0
189.11241	3.6
189.12758	1.4
189.16388	1.6
193.10260	2.6
194.11024	0.9
195.11734	6.7
197.13260	11.0
199.11250	1.3
199.14830	7.1
201.12834	1.4
201.16434	1.7
205.12227	0.9
207.11746	3.3
208.12642	1.2
209.13264	6.8
210.14078	0.9
211.14856	6.0
213.12784	1.1
213.16451	5.3
215.17918	1.1
217.15979	1.5
219.11792	1.4
221.13284	3.0
223.14832	5.8
225.16371	4.4
227.12685	3.7
227.18039	2.6
229.14313	1.7
229.19466	1.1
233.13272	1.4
235.14908	2.0
237.16374	4.0
239.18013	4.0
241.19586	3.4
243.21152	1.3
243.83908	0.7
247.14804	0.7
247.17140	0.9
247.20813	1.1
249.16425	2.5
251.18051	2.4
253.19748	1.9
255.17528	1.2
257.18927	1.8
259.20572	5.4
261.22192	1.3
263.17993	1.2
265.19519	1.5
267.21188	1.4
273.18625	4.5
275.20157	6.8
277.21890	1.4
283.20602	1.0
285.22241	0.9
291.19464	5.8
297.22095	1.1
301.21716	0.8
309.22125	1.5
311.23563	0.7
315.23206	0.8
317.24969	0.9
321.22229	1.4
323.23721	1.1
325.21774	1.2
327.23407	1.0
333.24496	3.7
335.26068	1.1
339.23239	1.1
341.24728	1.2
347.22418	2.3
349.23883	4.4
351.26645	1.4
353.24786	0.9
363.27045	1.2
365.28394	5.0
367.26382	0.9
377.28464	1.3
379.30029	2.1
381.27527	1.3
381.31790	1.7
383.29401	1.6
391.29910	0.9
403.30075	1.6
417.31808	0.8
421.31119	3.3
435.32773	1.1
439.32150	2.5
440.63498	0.7
495.34689	1.4
497.37473	1.1
505.40381	0.9
511.37766	1.0
513.35773	14.8
515.38629	6.4
527.37469	2.6
533.39954	9.3
539.37329	1.0
543.36407	0.8
551.41217	6.7
555.37079	1.5
569.42407	0.9
589.42468	2.1
607.43622	45.9
625.44678	100.0
626.45294	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	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.3
55.01870	22.4
55.05265	2.1
55.05513	27.2
57.03430	6.7
57.07066	4.7
65.03938	2.8
67.05507	55.0
69.03438	2.3
69.07070	44.4
70.12355	6.0
71.04977	4.2
71.08624	1.3
73.06553	1.9
79.05491	43.0
80.05810	1.9
81.03425	4.8
81.07059	55.1
83.04977	7.8
83.08617	14.7
85.06547	3.2
91.05484	48.7
93.07051	44.5
95.01311	3.7
95.04959	8.6
95.08609	38.3
97.06534	27.4
97.10170	5.9
99.08092	3.0
103.05442	1.9
105.07034	52.9
107.04949	9.6
107.08601	26.2
109.06525	4.7
109.10154	18.4
111.08092	4.4
115.05490	2.3
117.07015	22.7
119.08586	35.0
121.06492	3.5
121.10147	12.4
123.08068	6.2
123.11709	3.8
125.09644	5.9
128.06192	4.3
129.06996	15.4
130.07793	2.0
131.08569	32.2
133.06526	2.9
133.10136	30.7
135.08064	4.0
135.11697	11.6
137.09601	2.4
141.06985	5.9
142.07811	3.1
143.08562	20.2
145.06487	1.9
145.10118	33.3
147.08067	3.8
147.11694	22.3
149.09630	5.9
149.13257	5.1
151.11296	1.6
155.08554	11.6
156.09291	2.5
157.10124	22.4
157.11319	2.2
159.08070	2.1
159.11691	20.6
161.09642	3.0
161.13268	13.4
163.11186	4.0
163.14803	3.0
167.08597	5.2
168.09348	2.6
169.10156	14.4
171.07996	1.9
171.10233	2.7
171.11656	18.9
173.09605	2.7
173.13264	14.4
175.11247	2.9
175.14854	7.2
177.12814	2.6
179.08578	3.0
179.14294	2.8
181.10123	7.2
182.10950	2.1
183.11705	14.5
185.13271	13.0
187.14836	6.8
189.12790	2.5
193.10191	3.9
195.11729	10.7
197.13287	9.1
199.11195	2.0
199.14799	10.9
201.12761	2.0
201.16403	2.0
203.14473	1.9
207.11639	3.5
209.13274	5.9
211.14787	6.5
213.12611	1.5
213.16432	5.5
215.17998	2.9
221.13280	3.3
223.14844	4.5
225.16454	3.5
227.14348	2.8
227.17990	3.0
231.21040	1.6
235.14940	2.5
237.16415	4.8
239.18005	3.9
241.19666	11.0
251.17838	2.5
255.17567	2.1
257.18973	5.2
259.20599	14.8
263.17780	2.1
271.20688	1.6
273.18637	2.5
275.20087	28.9
277.21826	2.1
279.20947	1.7
285.18591	1.9
285.22098	2.0
293.21118	2.2
295.20700	1.9
307.20807	1.6
311.23798	2.3
313.21802	1.6
315.23218	5.7
321.21872	1.8
323.23581	1.6
325.25275	1.9
331.22711	1.8
333.24347	15.6
349.23758	18.4
371.16922	1.7
403.30725	1.5
419.32849	1.9
421.31342	1.5
435.32724	6.0
437.34369	7.8
439.32776	1.5
445.29953	1.9
453.33585	1.7
463.31439	1.5
478.19644	1.5
493.37555	1.9
501.35425	1.6
503.13449	1.9
509.36237	2.3
511.37973	7.3
513.35907	9.9
515.38586	7.1
527.37280	5.8
528.53961	1.4
529.38849	6.6
533.39545	7.5
551.40912	6.7
555.36212	1.5
556.37567	2.5
565.24286	4.4
589.42743	3.1
597.45325	2.9
607.43591	53.0
608.43079	1.6
625.28021	13.9
625.44562	100.0
626.45111	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	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.8
53.03941	2.0
55.01870	8.0
55.05513	23.9
56.08601	0.7
56.75270	0.8
57.03437	5.4
57.07069	2.0
58.45691	0.9
59.04990	1.3
59.40659	0.8
65.03941	2.5
66.59570	0.8
67.05505	43.5
69.03426	2.4
69.06721	1.4
69.07068	20.7
70.12457	3.5
71.04985	3.3
79.05495	28.9
81.07059	40.9
83.04983	2.7
83.08625	11.7
85.06552	2.2
86.09693	1.7
89.70693	0.9
91.05482	23.6
93.07043	27.7
93.91556	0.9
95.04980	3.7
95.07993	1.2
95.08610	23.1
97.06538	9.2
97.10173	10.3
105.07027	24.5
107.04953	2.7
107.08596	21.1
109.06535	3.1
109.10152	13.0
111.08088	3.0
115.05451	2.1
117.07011	11.8
119.08582	20.4
121.06530	2.2
121.10143	10.3
123.08067	2.9
123.11715	8.0
125.09637	5.1
128.06232	3.5
129.07004	13.8
130.07840	1.3
131.08572	21.3
133.06549	1.1
133.10129	15.8
135.08047	2.5
135.11707	5.0
137.09612	1.5
137.16258	1.0
140.14349	1.6
141.07005	6.2
142.07791	2.7
143.08559	17.1
145.10118	17.6
147.08107	1.1
147.11685	10.6
149.09615	3.6
149.13304	3.1
151.11172	1.6
153.07013	1.5
154.07710	0.9
155.08580	13.0
156.09355	2.1
157.10126	17.2
159.08110	1.8
159.11696	12.6
161.09666	1.5
161.13266	5.4
163.11180	2.0
165.06975	1.7
166.07799	1.5
167.08644	4.3
168.09323	1.6
169.10146	12.0
170.10930	1.7
171.10236	1.7
171.11667	14.5
173.11893	1.8
173.13240	8.3
173.43066	0.8
175.11194	1.3
175.14838	3.3
179.08609	2.8
180.09431	1.5
181.10132	7.4
182.10944	0.9
183.11674	14.9
185.09647	0.8
185.13237	10.0
187.11160	1.2
187.13304	2.5
187.14856	5.6
189.11201	4.1
189.16351	1.4
193.10188	2.8
195.11740	8.0
196.12434	1.5
197.13281	11.1
199.11142	1.2
199.14845	6.5
201.16515	2.3
203.17860	0.9
207.11765	3.5
207.13649	1.0
209.13266	6.7
211.14832	7.1
213.16527	4.5
215.18044	1.5
219.11749	1.2
221.13368	3.4
223.14912	5.8
225.16389	4.0
227.12601	4.4
227.17964	2.7
229.14227	1.1
235.14886	2.6
237.16423	3.2
239.18039	3.2
241.19577	4.1
243.15967	2.8
249.16449	1.9
251.18080	1.8
253.19547	2.9
255.17621	1.4
255.20918	1.3
257.19025	2.3
259.20563	4.5
261.16479	1.0
263.17923	1.2
265.19604	1.7
267.20990	1.0
271.20621	1.2
273.18658	1.1
273.22244	1.0
275.20184	6.4
279.21008	1.1
285.21887	1.5
295.20712	1.5
297.22104	1.1
309.22183	1.8
311.23886	1.7
313.21497	1.9
315.23285	1.9
323.23761	1.4
331.22702	1.1
333.24332	3.4
335.23502	1.2
339.23392	1.3
341.24786	0.9
349.23685	5.0
355.26151	1.2
361.25195	1.0
363.26523	1.5
365.28418	6.4
367.26144	1.1
379.30145	2.4
381.31619	3.3
383.29498	2.5
393.27759	1.3
403.29898	1.4
405.26822	1.2
421.30936	4.7
439.31982	4.1
459.32092	1.1
495.34573	1.6
497.37390	1.4
499.34329	1.7
509.36240	1.1
511.37958	1.4
513.35785	17.8
515.39008	5.5
527.37384	2.8
529.37622	1.2
533.39825	10.1
537.35681	1.2
551.41022	5.8
555.36786	1.7
589.42297	2.4
597.43518	2.0
607.43549	42.8
608.44086	1.2
625.44617	100.0
626.45099	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	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.1
55.01878	6.6
55.05513	26.5
57.03440	5.4
57.07074	2.9
59.04994	1.6
65.03940	3.1
67.05506	45.8
69.03420	2.1
69.07070	18.9
70.77029	1.5
71.04994	2.9
71.08619	1.9
77.03912	0.7
79.05495	31.2
81.03407	2.0
81.07061	39.9
83.04970	4.4
83.08620	13.8
85.06544	2.6
91.05483	30.4
91.05906	0.5
91.06081	0.8
93.07047	31.6
95.04988	5.9
95.08608	28.8
97.02921	0.7
97.06527	6.1
97.10174	10.6
99.08088	2.5
103.05475	1.0
105.04507	1.3
105.07030	27.4
107.04975	3.8
107.08600	22.9
109.06522	3.1
109.10161	17.4
109.10702	0.3
109.10918	0.6
111.08068	2.9
111.11714	0.6
115.05463	2.2
116.06214	0.7
117.07020	15.2
119.08587	21.0
121.06511	1.9
121.09315	0.9
121.10151	11.7
123.08110	2.8
123.11702	2.9
125.09634	7.5
128.06221	4.0
129.07005	13.9
130.07765	1.3
131.08578	19.5
133.06514	1.3
133.10133	16.4
135.08070	3.1
135.11702	6.8
137.09598	2.2
137.13228	1.4
139.11203	0.7
141.06995	5.7
142.07811	3.1
143.07507	0.5
143.08556	13.6
144.09329	1.1
145.06479	0.9
145.10132	18.9
147.08041	2.5
147.11690	10.1
149.09613	3.0
149.13258	3.9
151.11171	1.9
153.06958	1.5
153.09006	0.7
154.07796	1.2
155.08569	10.6
156.09305	1.7
157.10136	13.4
158.11040	0.8
159.08072	1.3
159.11702	11.3
161.09639	1.9
161.13271	6.2
163.11168	2.2
163.14833	1.2
165.07153	1.0
165.09064	0.7
165.12791	0.8
166.07773	0.8
167.08559	4.0
168.09361	1.7
169.10133	10.9
170.10857	1.0
171.08023	1.4
171.11702	11.1
172.12378	0.7
173.09657	1.2
173.11769	1.6
173.13223	9.0
175.11232	1.1
175.14806	2.8
177.12762	1.1
179.08537	1.6
179.14342	1.8
180.09363	0.7
181.10120	4.4
182.10890	0.9
183.11708	9.4
184.12440	0.7
185.09564	0.8
185.13257	8.3
187.11356	1.3
187.13358	0.7
187.14835	3.9
189.11224	2.9
189.12735	0.9
189.16374	1.4
191.14259	0.8
193.10168	2.2
195.11694	5.3
195.13547	0.9
197.13286	6.7
199.11171	1.2
199.14862	5.2
201.12740	1.0
201.16409	2.4
203.14410	0.8
203.17973	0.9
205.10117	0.8
205.15825	0.7
207.11659	2.5
207.13554	0.6
209.13234	3.2
211.14845	5.1
213.12755	1.1
213.16396	2.9
215.14365	1.1
215.17979	2.3
217.15868	0.6
217.19624	0.8
219.11687	1.2
221.13286	1.8
223.13051	1.1
223.15016	2.9
225.16451	3.0
227.12715	4.4
227.17992	2.6
229.14247	1.5
229.19554	1.2
233.13277	0.9
233.18956	0.6
235.14819	1.5
237.16426	2.8
239.18021	2.6
241.19574	3.5
243.21114	1.4
245.19070	0.9
247.14682	1.0
247.20605	0.7
249.16370	0.7
251.17952	1.9
253.15884	0.7
253.19615	1.0
255.21196	1.4
257.19055	2.9
259.20563	3.8
261.22171	1.3
263.17886	1.3
265.19534	1.5
267.21298	1.0
271.20612	1.0
273.18533	2.7
273.21973	0.6
275.20154	5.2
277.21707	2.4
279.21115	0.8
283.20618	1.0
285.22076	0.8
287.20386	0.8
289.21887	0.6
291.19513	9.0
293.21158	2.2
295.20447	0.9
297.22058	1.3
299.20093	0.7
299.23657	1.3
301.25153	0.6
309.22113	0.6
311.23694	1.1
313.21750	0.9
315.23013	1.0
317.24741	1.3
321.21906	0.9
323.23846	1.0
325.25214	0.8
327.23019	1.1
333.24234	2.1
335.23410	0.8
337.25320	0.8
339.22998	1.2
347.22324	1.0
349.23959	1.7
353.24530	0.8
353.28506	0.8
365.23575	0.8
365.28271	1.3
369.27856	0.9
379.29980	2.3
381.31702	4.2
383.29456	1.1
404.20386	0.8
405.20798	1.2
421.23926	0.7
421.31055	1.4
429.29938	0.6
439.32181	1.1
445.19626	0.6
447.21704	0.8
451.32199	0.7
453.33670	1.2
465.22690	2.3
469.33823	0.7
477.22687	0.8
479.24283	4.3
493.25937	0.7
495.34442	0.9
497.36682	1.8
511.37671	1.1
513.35828	5.9
515.38855	4.7
525.35602	2.6
527.37268	4.6
533.39832	4.3
537.24902	0.9
551.26776	1.0
551.40875	4.1
552.27466	1.6
555.36609	1.1
565.27393	1.2
583.25336	0.6
589.42407	2.1
595.91840	0.7
597.44983	1.6
607.43585	29.4
625.29596	20.3
625.44373	100.0
626.29865	1.6
626.44714	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.4
55.01875	23.9
55.05266	2.2
55.05512	31.3
57.03440	9.2
57.07060	4.1
65.03941	4.4
67.05506	73.2
69.03424	3.4
69.07069	62.9
69.18092	13.6
71.04988	3.8
79.05496	51.5
81.03424	6.0
81.07059	64.6
82.58290	1.3
83.04980	10.6
83.08617	9.3
85.06528	3.2
91.05482	55.5
93.07045	54.1
95.01325	5.1
95.04976	23.0
95.08607	44.6
97.02888	2.8
97.06545	27.9
97.10166	9.5
99.08099	2.9
103.05451	2.5
105.04539	1.8
105.07032	65.2
107.04951	13.6
107.08593	33.1
109.06498	7.6
109.10159	18.0
111.04473	1.5
111.08100	4.6
115.05444	3.0
117.07014	18.5
119.08584	42.8
121.06495	5.2
121.10144	17.2
123.08084	4.0
123.11720	4.1
125.09632	7.5
128.06242	3.2
129.07021	14.0
130.07780	1.6
130.96156	1.2
131.08569	36.1
133.06480	2.9
133.10133	34.5
135.08034	6.7
135.11697	14.7
137.09578	2.1
139.11162	1.5
141.06996	5.5
142.07852	3.3
143.08563	20.6
145.06500	2.1
145.10121	32.4
147.08012	3.3
147.11682	20.9
149.09624	8.7
149.13257	8.6
151.11168	3.1
155.08551	9.7
156.09250	1.6
157.10130	18.7
159.08096	2.1
159.11696	23.1
161.09624	3.6
161.13275	14.5
163.11171	5.3
163.14877	2.6
165.09180	1.9
167.08594	5.8
168.09299	1.5
168.79797	1.3
169.10130	13.2
171.08011	1.9
171.10239	2.5
171.11661	18.0
173.13232	14.0
175.11197	4.5
175.14848	6.6
176.86809	1.4
177.12769	2.7
179.14319	6.7
181.10143	5.1
183.11700	11.3
185.09601	1.5
185.13284	12.0
187.11195	3.4
187.14856	4.0
189.12773	2.7
195.11714	6.7
197.13245	6.1
199.11365	1.8
199.14897	6.8
201.16365	2.3
203.14381	1.7
205.12265	1.5
207.11678	2.6
208.12675	1.6
209.13289	5.2
211.14899	4.3
213.16411	3.7
215.14294	1.6
215.17963	3.0
217.15855	1.4
217.19511	1.7
219.17422	2.3
223.13115	2.9
223.15060	2.4
225.16342	3.1
231.17519	1.6
231.21109	1.8
235.14793	1.5
237.16402	4.4
239.18037	4.1
241.19513	15.3
247.20605	1.4
251.17845	1.7
255.17393	2.0
257.18997	6.8
259.20587	18.0
261.22235	1.4
265.19415	2.0
273.18518	14.4
275.17288	2.5
275.20084	34.1
277.21753	1.7
279.21100	1.7
283.20801	2.1
291.19528	32.7
293.21173	3.1
295.20419	1.7
297.22299	2.0
313.21521	1.4
315.23309	5.4
325.25357	2.1
333.24286	20.6
335.25861	5.9
339.22882	1.4
347.22073	3.8
349.23639	22.5
371.68649	1.4
419.33109	2.0
421.23584	2.1
423.22025	2.8
435.20715	1.5
435.32632	4.6
437.34085	13.1
448.18845	1.6
449.18945	1.9
450.23871	1.6
463.31516	2.1
465.22952	2.7
478.22610	5.8
492.21741	1.9
493.22336	4.4
493.36627	1.5
501.35501	2.6
505.39944	1.6
509.36063	2.1
511.38055	7.9
513.35303	6.5
515.38507	5.2
527.37250	5.2
529.38916	7.5
533.25079	1.4
533.39917	6.3
547.25867	2.6
551.40863	8.3
555.36597	5.0
556.37671	2.1
565.26874	1.9
566.25549	4.0
597.45068	2.1
607.43567	50.0
625.28876	43.0
625.44568	100.0
626.27130	2.9
626.44818	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	625.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.4
52.19129	0.8
53.03944	3.3
55.01876	9.9
55.05514	27.3
57.03438	5.7
57.07073	3.0
59.04984	1.5
65.03936	3.1
66.04733	0.9
67.05508	55.1
69.03436	2.0
69.07071	25.6
71.04996	4.0
71.08633	1.0
73.06549	1.3
79.05495	32.1
81.03410	2.7
81.07061	41.2
83.04992	4.5
83.08624	13.4
83.92580	0.9
85.06551	4.0
91.05483	39.1
92.83131	1.0
93.07051	36.3
93.07642	1.9
94.07378	1.2
95.04977	8.8
95.08612	33.0
97.06538	10.6
97.10174	8.4
98.20719	1.9
99.08089	2.2
103.05470	1.6
105.04512	1.4
105.07042	34.8
107.04964	3.6
107.08606	23.8
109.06543	3.9
109.10159	19.2
111.08072	2.4
113.06033	0.9
113.09609	1.1
115.05465	2.0
117.07016	16.8
119.08589	27.9
121.06539	1.6
121.10148	11.4
123.08095	2.9
123.11679	5.8
125.09630	7.0
126.59563	1.2
128.06241	3.1
129.07027	15.2
130.07788	2.3
131.08563	27.0
131.09520	1.4
133.06505	1.8
133.10136	17.2
134.27682	1.0
135.08090	4.0
135.11726	6.4
137.09657	2.5
139.11200	2.3
141.06973	7.1
142.07800	3.7
143.08574	22.0
145.06514	2.4
145.10121	23.4
147.08028	2.0
147.11688	12.5
149.09651	4.3
149.13298	3.4
151.11252	1.7
153.07010	1.4
154.07782	1.7
155.08580	12.4
156.09312	2.2
157.10146	17.4
158.26845	0.9
159.08099	1.8
159.11726	15.5
160.04713	1.0
161.13277	5.8
163.11230	3.3
163.14781	1.6
165.07010	2.1
165.12744	1.1
166.07835	1.4
167.08577	6.5
168.09399	1.9
169.10136	16.3
171.08072	1.0
171.11693	16.3
172.08290	0.9
173.09665	1.7
173.11780	2.0
173.13197	10.0
175.11186	2.6
175.14902	2.8
177.12788	1.1
179.08580	2.3
181.10135	7.6
182.11050	1.7
183.11700	15.1
185.13272	12.2
187.11263	1.7
187.13338	1.7
187.14870	5.9
189.11273	2.0
189.12801	1.1
189.16513	1.0
193.10202	3.2
195.11697	8.0
197.13271	11.8
199.11107	1.1
199.14835	7.6
201.16466	3.1
203.14444	1.2
207.11723	4.1
209.13297	6.6
211.11394	1.2
211.14853	7.8
213.16501	5.0
215.18079	1.3
219.11819	1.7
221.13286	2.9
223.14835	5.3
225.16507	4.4
227.12808	2.3
227.18111	2.1
229.14262	2.5
229.19545	1.5
234.13748	1.0
235.14877	2.5
235.16986	1.1
237.16495	4.3
239.18019	3.6
241.19598	3.6
243.15952	1.4
249.16396	2.5
251.18008	2.7
253.19630	1.9
255.17734	1.2
257.19043	2.6
259.20599	5.5
263.17950	1.5
267.21066	1.5
273.18661	2.6
275.20261	6.6
277.21729	1.4
291.19540	2.0
295.20773	1.3
297.21964	1.4
301.21701	1.3
309.22202	1.4
311.23538	1.2
313.21774	1.0
315.23300	2.3
323.23801	1.4
325.21677	1.2
325.25238	1.3
333.24295	3.1
337.25168	1.4
339.23322	1.6
349.23825	4.3
353.24670	1.1
361.29019	1.0
363.26709	1.4
365.28519	3.4
379.30139	3.4
383.29636	1.6
403.29965	2.1
407.29395	1.1
409.31073	1.0
421.31207	5.0
435.32626	1.6
437.34317	1.4
439.32397	1.6
453.33817	1.6
459.32529	1.2
495.34650	2.8
497.36963	1.8
501.35541	1.3
509.36557	1.4
513.35736	20.3
515.38745	6.5
527.37433	3.8
533.40033	8.7
551.41345	4.6
555.37177	1.3
589.42438	3.1
607.35870	0.8
607.43542	44.5
625.30145	5.4
625.44611	100.0
626.45148	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	625.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	1.1
53.03949	5.2
55.01877	25.6
55.05514	25.5
57.03439	7.3
57.07077	4.2
65.03935	2.7
67.05508	56.4
69.03432	2.7
69.07072	61.7
70.11392	1.5
70.11774	1.2
71.04987	3.8
71.08623	1.8
77.03906	1.0
79.05496	45.8
81.03426	7.8
81.07061	60.3
83.04986	9.1
83.08624	12.3
83.43922	0.8
83.76686	0.9
85.06541	3.3
91.05484	52.3
93.07050	44.6
95.01350	4.5
95.04976	8.4
95.08611	43.2
95.09235	1.1
97.06538	33.1
97.10182	6.7
99.08089	3.3
103.05443	2.3
105.04536	1.8
105.07034	58.8
107.04960	10.9
107.08605	25.0
109.06503	5.0
109.10160	14.0
111.08106	4.2
111.11717	1.0
113.09644	1.6
115.05473	3.2
116.06238	1.2
117.07018	18.7
119.08589	41.9
121.06538	3.3
121.10152	15.4
123.04455	1.6
123.08051	4.4
123.11739	3.9
125.09637	5.2
128.06265	3.7
129.07014	14.7
130.07767	2.3
131.08574	37.4
133.10139	36.7
135.08060	3.4
135.11697	11.5
137.09634	3.8
137.13235	1.4
139.07530	1.0
139.11201	1.0
141.06996	6.2
141.11308	1.2
142.07796	3.3
143.08571	21.4
144.09390	1.4
145.06496	3.0
145.10135	32.1
145.60672	0.8
147.08052	2.7
147.11691	24.9
149.09644	7.6
149.13266	6.7
151.11189	2.5
153.06964	1.3
154.07799	1.7
155.08563	13.1
156.09329	2.2
157.06512	1.5
157.10146	21.5
158.10954	0.9
159.08073	2.0
159.11697	26.7
159.13029	1.4
161.09685	2.4
161.13263	15.1
163.11191	5.9
163.14845	1.9
165.12746	0.8
167.08595	5.3
168.09311	1.5
169.10141	15.1
170.10878	1.2
171.08110	1.1
171.10297	1.3
171.11684	25.2
173.09633	2.0
173.13266	15.2
175.11230	2.2
175.14868	9.9
177.12756	4.0
179.08629	2.6
179.14305	6.4
181.10165	10.8
182.10887	1.2
183.11681	14.8
184.12442	1.0
185.09615	2.5
185.13277	15.5
187.11217	2.5
187.14853	6.4
189.12718	2.2
191.14316	1.5
193.10153	2.8
194.10805	0.9
195.11725	7.6
197.13255	9.9
199.11290	2.1
199.14801	7.3
201.12825	1.6
201.16461	3.9
203.14444	1.3
205.10291	1.1
205.12285	1.3
207.11702	3.5
209.13274	8.0
209.15189	1.2
211.14807	7.0
213.12758	2.0
213.16364	5.8
215.14423	1.3
215.18019	2.7
217.15968	1.8
217.19591	1.6
219.17523	1.8
221.13280	3.2
221.15266	1.0
223.14816	4.9
225.12788	1.1
225.16393	5.4
227.14456	1.3
227.18019	2.1
229.19574	2.3
231.17448	1.8
231.21173	3.0
233.13326	1.2
235.14915	2.9
237.16446	3.0
239.18010	4.5
241.19536	15.9
243.21106	1.5
247.20848	1.1
249.16481	1.8
253.19543	1.4
255.17500	1.4
257.19064	8.1
259.20596	21.0
263.17828	0.9
265.19577	1.1
267.17316	1.0
269.22534	1.1
271.20618	1.6
273.18600	3.3
275.20081	40.1
277.21738	2.8
279.16150	1.2
279.21188	1.6
281.22565	1.3
287.05533	1.2
291.19531	1.7
293.21191	4.8
297.22195	2.1
299.23746	1.1
311.20297	1.7
311.23633	1.9
313.21588	1.7
315.23236	4.8
319.24191	1.3
321.22144	1.1
323.23706	2.0
325.21646	1.5
325.25174	1.4
327.23364	0.8
331.22632	1.6
333.24258	21.1
337.21594	1.0
337.25406	1.2
339.23053	2.0
341.24768	1.6
347.22705	1.1
349.23755	28.2
351.25534	1.9
353.24838	2.3
363.26831	1.4
365.24780	1.0
367.26437	1.2
371.25775	1.1
381.28104	1.3
391.29657	1.5
395.29517	1.0
409.30991	1.2
417.31650	1.2
419.33237	3.5
421.30759	2.0
435.21280	1.0
435.32748	6.1
437.34192	14.2
453.34076	2.1
455.35391	1.1
463.31711	1.2
475.35696	1.6
481.33136	1.4
483.34659	1.4
493.36765	3.4
495.34546	1.6
499.34067	1.3
501.35519	1.4
505.41010	1.1
509.36530	2.4
511.37991	12.2
513.35773	8.9
515.39264	5.3
527.37445	8.5
529.39105	5.9
533.39960	8.9
551.41211	6.7
553.39032	1.7
555.36902	3.5
556.37708	2.6
565.27271	4.3
589.42279	1.5
597.44873	2.8
607.43549	60.7
608.44482	1.7
625.29614	11.2
625.44653	100.0
626.45135	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20191	1.5
51.02370	1.9
53.03950	6.0
55.01877	10.2
55.05518	34.2
57.03442	7.9
57.07071	4.3
59.04996	1.3
61.02964	1.5
65.03941	2.9
67.05512	75.3
67.58117	1.3
69.03440	4.3
69.07076	27.1
70.03345	7.4
71.05014	8.4
73.05856	1.4
79.05506	50.9
81.03443	6.0
81.07066	66.7
82.07424	1.5
83.04996	7.6
83.08627	15.5
85.02925	4.4
85.06551	3.6
91.05490	54.6
93.07054	53.6
95.04977	8.1
95.08618	42.5
97.02927	2.7
97.06539	12.8
97.10175	12.2
98.21585	1.5
100.71629	1.7
103.05482	2.3
105.07043	55.2
107.04976	5.4
107.08602	32.7
109.06541	5.2
109.10165	26.9
111.08108	4.5
115.05479	4.4
117.07018	22.5
119.08594	40.2
121.06528	6.7
121.10167	19.2
123.04470	1.8
123.08090	3.5
123.11734	7.6
125.09653	6.0
127.03957	1.9
128.06267	4.9
129.07027	24.3
131.08586	42.5
133.06570	3.0
133.10149	30.9
135.08084	4.6
135.11714	12.3
137.09663	4.1
141.06998	9.3
142.07825	4.5
143.08582	21.9
145.06535	4.2
145.10144	29.5
147.08076	4.9
147.11705	14.8
149.09676	5.4
149.13269	5.9
151.11209	2.4
153.09328	1.5
155.08565	14.7
156.09340	2.5
157.10143	23.5
159.08118	3.2
159.11707	19.8
161.09685	3.7
161.13245	8.1
163.11266	4.6
167.08636	6.4
168.09380	2.1
169.10159	19.1
171.08124	2.6
171.11665	21.8
173.09691	2.0
173.11887	3.0
173.13277	13.1
175.11230	2.8
175.14899	2.9
177.12822	2.8
179.08646	3.0
179.14407	1.9
181.10147	11.1
182.11040	2.2
183.11713	17.3
185.13228	12.0
187.11356	2.7
187.13391	3.0
187.14818	7.7
189.11288	4.9
189.12740	1.7
191.14362	2.0
193.10190	1.9
195.11693	12.3
197.13271	13.8
199.14850	9.8
201.16402	3.9
207.11763	3.7
209.13327	6.2
211.14853	8.8
213.16458	6.6
215.14441	1.8
215.17953	2.5
221.13374	3.0
223.14883	5.6
225.16458	5.3
227.12903	4.7
227.18036	3.2
229.14363	3.6
235.14830	3.5
237.16515	3.9
239.18057	4.8
241.19609	3.2
245.19141	1.9
247.16960	2.3
251.18121	3.4
257.19162	1.9
259.20615	3.5
265.19812	2.1
275.20102	8.4
285.22025	2.1
287.05557	14.0
295.20035	1.5
309.22305	2.0
315.23355	2.3
317.06430	2.0
325.25281	3.3
333.24557	2.7
335.23892	3.2
337.25201	1.8
343.26349	3.8
349.24133	2.9
353.24829	12.7
365.28494	5.2
367.26407	1.8
371.25845	14.7
379.30191	2.0
383.29623	3.0
389.26810	12.8
421.31046	2.8
439.32520	2.4
445.29544	94.1
463.30618	42.0
513.35767	14.0
515.39050	6.7
527.37555	2.2
533.39880	9.5
551.40930	8.9
567.40729	1.8
589.41815	2.8
607.43591	46.5
625.35828	5.0
625.44733	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	625.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.01864	3.0
55.05513	12.5
57.03442	3.9
57.07068	2.2
64.63898	0.8
65.03934	1.7
67.05507	31.0
69.03413	2.9
69.07076	11.3
69.82488	3.8
71.04977	3.7
72.13261	0.7
79.05495	24.3
81.03425	4.3
81.06586	1.7
81.07057	32.8
83.04989	5.9
83.08635	7.2
83.09087	1.5
85.02892	2.0
85.06532	2.2
87.53584	1.0
91.05486	26.9
93.06482	1.6
93.07050	22.8
95.04975	4.2
95.07996	0.9
95.08614	19.0
97.02895	1.1
97.06528	4.7
97.10168	3.5
98.80428	0.8
99.08102	1.1
103.05435	1.2
104.74168	0.9
105.07034	27.2
107.04951	3.8
107.07894	1.1
107.08596	12.9
109.02888	1.5
109.06506	3.2
109.10159	9.5
111.04444	1.8
111.08063	2.0
116.06207	0.9
117.07021	14.0
119.08585	16.9
121.06494	3.3
121.10149	8.3
123.08057	2.7
123.11729	2.6
125.09618	1.8
127.03941	1.2
128.06245	1.6
129.07004	8.6
130.07736	1.3
131.08580	21.8
133.06485	1.7
133.10136	12.5
135.08072	2.4
135.11693	4.4
137.09608	2.0
141.06967	3.7
142.07816	1.3
143.08559	8.2
145.06500	1.8
145.10129	12.8
147.08052	3.7
147.11673	3.9
149.09630	3.3
149.13271	2.0
151.11191	1.3
151.95938	0.9
153.12697	0.9
155.08559	5.6
157.10121	8.4
159.08073	1.6
159.11688	7.2
161.09653	1.9
161.13258	1.6
163.11179	1.4
167.08591	2.9
169.10165	4.5
171.08031	1.0
171.11688	4.8
173.09622	1.2
173.11847	1.1
173.13248	4.1
175.11182	1.3
175.14703	1.0
179.08495	1.1
181.10150	2.6
183.11690	5.3
185.13232	3.9
187.11142	1.0
187.14801	2.1
193.10115	0.9
195.11652	2.2
195.13721	1.4
197.13289	3.6
199.14810	2.9
209.13326	2.0
211.14842	2.6
213.16473	1.4
215.14308	1.1
217.15775	0.9
221.13293	1.0
223.14951	1.4
225.16353	1.9
227.12640	1.8
241.19588	1.4
243.17557	1.1
247.16869	1.1
259.17056	1.0
259.81003	1.0
269.17410	2.5
275.20016	2.9
287.05515	3.3
317.06595	1.6
325.25052	1.5
331.13562	1.0
335.23718	1.6
339.17828	0.9
343.26242	2.7
349.23853	1.3
353.24600	5.3
371.25781	6.9
383.24463	1.8
389.26868	12.8
395.72220	0.9
423.42264	0.9
427.28378	1.4
439.31702	0.9
445.29517	100.0
453.33832	1.1
463.30539	26.4
471.34729	1.1
509.35794	1.0
513.35632	1.6
527.37360	7.9
538.68787	1.0
593.33215	0.9
607.25146	1.6
607.34418	3.2
607.43536	3.3
625.27484	5.5
625.35370	4.7
625.44543	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	625.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	11.3
55.01861	6.1
55.05517	23.1
57.03444	17.4
59.04993	2.0
61.02919	4.2
61.86977	2.4
65.03917	2.5
67.05511	76.1
69.03430	20.2
69.06788	2.2
69.07076	24.6
70.13321	5.2
70.13722	3.4
71.05002	10.5
73.02898	6.1
79.05067	3.9
79.05500	53.0
81.02982	3.5
81.03422	43.0
81.07063	100.0
83.04984	24.1
83.08621	14.3
85.02907	14.7
85.06538	4.4
90.43501	2.1
91.03986	2.5
91.05492	37.7
93.07054	56.1
95.04974	11.9
95.08617	26.1
97.02895	14.9
97.06546	12.0
97.10178	3.7
99.04472	5.0
99.08082	4.0
105.07033	24.9
107.04947	6.9
107.08607	38.0
109.02865	8.9
109.06523	6.1
109.10187	10.0
111.04431	5.5
111.08075	5.7
112.47302	2.0
115.05411	2.0
117.07034	15.3
119.08598	13.6
121.06483	4.3
121.10133	19.7
123.04388	3.3
123.11705	5.1
125.09691	2.5
127.03972	9.7
129.05524	10.8
129.07018	6.8
131.08592	26.1
131.91228	2.3
133.10114	18.0
135.11717	12.9
139.11215	2.6
141.07065	4.0
142.56985	1.8
143.08575	5.2
145.06465	3.7
145.10109	9.1
147.08026	4.0
147.11653	6.1
149.13274	23.0
151.11206	3.3
155.08519	3.4
157.10120	6.9
159.11720	15.1
165.12688	2.7
167.08604	2.3
171.11641	2.6
173.04492	8.2
173.13419	2.6
177.12749	8.2
183.11914	2.2
185.13420	2.3
195.13829	19.5
213.14804	5.6
229.14351	4.3
267.15915	4.0
267.94308	2.5
269.17502	44.1
287.05551	5.9
293.17532	3.7
307.23071	2.2
339.17929	9.6
353.24792	3.6
371.25601	4.8
377.19406	3.7
389.26740	4.3
395.20706	10.1
413.17178	2.6
413.21930	17.7
445.29474	30.6
453.21014	5.9
463.30560	80.9
589.32953	4.2
607.34741	59.5
613.57404	2.3
625.31854	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1768
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
53.03942	0.3
53.43446	0.2
55.01868	0.4
57.03456	1.3
58.10104	0.2
60.22696	0.2
60.95920	0.2
61.02922	0.9
63.38228	0.2
69.03435	1.1
70.70642	0.2
70.96822	0.6
71.05003	9.8
73.02905	0.4
73.98576	0.2
75.04450	0.3
81.03424	0.5
83.05000	0.3
85.02916	14.0
87.04532	0.2
87.28596	0.2
91.03951	0.3
92.02641	0.3
93.03417	0.3
97.02913	1.2
99.04449	0.4
109.02897	0.4
111.04489	0.4
121.02892	0.9
126.03119	0.3
127.03957	0.7
129.05495	3.6
137.05959	0.7
138.06339	0.4
139.03914	0.7
145.04997	0.8
147.06534	1.1
151.03955	0.6
153.01848	4.1
160.41982	0.2
163.03958	0.3
165.01852	0.6
167.81447	0.2
201.05544	0.5
217.05002	0.4
218.05667	0.3
220.64986	0.3
228.04207	0.7
229.05035	1.8
245.04562	0.7
246.05260	1.0
257.04486	1.9
260.03214	0.3
261.07626	0.3
273.04047	0.9
274.04749	3.2
284.03387	0.3
285.04010	3.3
286.04636	0.6
301.04013	0.3
301.07068	1.7
302.04254	9.9
317.06589	100.0
318.06918	1.1
479.11685	0.9
525.15375	0.3
629.73920	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01860	1.1
55.05518	3.7
57.03442	1.9
59.32944	0.4
60.37086	0.4
65.03947	0.8
67.05507	9.1
69.07069	2.8
71.04977	0.7
71.08632	0.5
79.05067	0.5
79.05500	7.5
81.03423	0.8
81.07064	8.0
83.04982	0.8
83.08623	1.4
85.06544	2.1
86.69222	0.4
91.05493	7.6
93.07053	7.6
95.04977	5.1
95.08613	4.9
97.06528	1.3
97.10169	0.6
99.08133	0.4
105.07038	5.6
106.37924	0.3
107.04959	1.5
107.08599	4.5
109.06535	7.6
109.10140	2.0
111.08125	0.6
113.06006	4.1
117.07032	2.1
119.08582	3.2
120.25601	0.4
121.06518	0.9
121.10184	2.1
123.08057	0.4
123.11714	0.6
125.55689	0.4
128.06184	0.6
129.07011	1.4
131.08565	2.7
133.06432	0.4
133.10161	2.9
135.08051	4.3
135.11710	1.6
141.07109	0.5
142.07823	0.5
143.08604	1.5
145.06557	0.4
145.10132	3.2
147.08055	0.8
147.11697	1.2
149.09602	0.9
149.13251	0.9
155.08562	0.6
157.10179	2.0
159.08160	0.6
159.11696	1.7
161.09647	1.3
161.13280	0.7
163.11217	0.5
169.10136	0.8
171.11745	1.3
173.13316	1.2
174.16444	0.4
175.11224	0.6
175.14885	0.5
179.14426	0.4
183.11740	1.0
185.13304	0.8
187.14990	0.4
195.11748	0.5
199.14841	0.6
209.13316	0.6
211.14964	0.7
213.16350	0.4
217.15939	1.2
273.18500	4.3
275.20105	1.0
277.21576	0.6
291.19553	11.1
335.25912	1.7
347.21945	0.9
365.23224	0.4
377.17841	1.0
379.19339	0.8
387.38098	0.4
391.19308	1.2
392.20053	0.8
393.20880	1.3
404.20078	0.7
405.16360	2.2
405.21634	0.7
406.17618	0.6
407.22556	5.8
408.23093	0.6
417.21030	0.7
418.17706	0.5
419.17859	2.9
419.23212	1.1
420.19598	1.6
421.20236	2.8
423.21909	0.8
424.41489	0.4
431.18518	0.7
432.19669	0.5
433.19949	4.5
434.20966	3.0
435.21918	5.8
436.22586	0.9
445.20370	1.0
446.21075	0.8
447.21994	2.1
449.19360	2.9
450.20346	0.6
451.25070	1.5
460.22910	0.5
461.23505	1.3
463.21136	2.5
464.22238	1.5
465.23175	1.9
477.22650	1.7
478.23639	5.3
479.24710	4.1
491.24490	1.3
493.25903	0.7
505.26135	0.6
507.24142	0.6
513.36066	0.8
521.25531	10.7
523.22864	1.7
527.37494	1.1
533.40314	0.6
537.25275	1.4
547.27032	1.8
549.25208	0.5
563.22662	0.5
565.28137	22.3
566.28601	0.5
581.27759	2.8
582.24219	0.5
593.27661	0.4
596.26233	0.6
607.29205	1.1
607.43372	2.9
608.31506	0.5
625.30225	100.0
625.44781	11.0
626.30579	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	625.1762
Annotation	Isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
55.05501	0.2
57.03423	0.6
57.63214	0.2
62.51683	0.2
69.25837	0.7
69.26259	1.0
71.04996	3.6
75.04456	0.2
76.41653	0.2
77.01952	0.2
85.02430	0.4
85.02912	4.9
87.43687	0.2
105.03393	0.4
120.59715	0.2
129.05502	1.1
133.02861	4.4
135.88631	0.2
137.05972	1.1
150.03131	0.8
153.01834	13.3
165.05487	6.3
167.03416	0.4
174.67139	0.2
179.03427	0.4
204.93483	0.2
205.04848	0.3
232.03671	0.7
274.04739	2.2
287.05490	0.5
301.07230	0.2
302.04224	20.8
317.06570	100.0
318.07135	1.1
479.11874	25.1
587.46686	0.3
625.17529	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.1
57.03419	0.2
58.73829	0.1
62.10139	0.1
70.64008	0.2
70.64321	0.1
71.04997	2.1
72.48156	0.1
74.64113	0.1
75.04410	0.1
85.02908	2.5
98.21516	0.1
129.05475	0.5
150.03125	2.8
151.30028	0.1
153.01833	8.8
165.05476	2.6
167.03403	0.4
171.02872	0.1
203.03336	0.1
217.04863	0.2
219.10201	0.2
228.04111	0.2
271.06079	0.1
274.04672	0.4
284.03323	0.1
285.04007	0.7
287.05649	0.2
301.03448	0.4
301.07047	0.4
302.04214	27.0
303.04529	0.2
317.06555	100.0
318.06934	1.0
331.07965	0.1
435.41040	0.1
479.11868	25.2
480.12045	0.5
625.17365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	16.4
57.03448	12.5
57.06829	3.0
57.07082	42.5
57.25074	2.6
65.03939	2.7
65.41763	2.1
67.05183	3.4
67.05514	34.1
69.07088	18.7
70.68326	6.0
71.08630	26.2
79.05080	2.4
79.05503	33.7
80.36518	2.5
81.07065	42.9
83.08614	15.6
85.10205	17.0
91.05492	41.8
93.07047	37.5
95.08616	41.0
97.06551	3.8
97.10155	7.2
101.75711	2.4
103.07573	2.7
105.06393	3.9
105.07043	44.8
107.08611	21.9
109.10163	17.8
117.07031	11.6
119.08594	43.4
121.10155	16.7
123.11716	4.5
129.07011	4.4
131.08585	15.9
133.10139	37.2
135.11691	14.4
143.08577	7.2
145.10144	16.4
147.11707	35.8
149.13251	6.0
157.10132	5.4
159.11720	12.0
161.13264	25.5
164.90086	2.2
171.11707	7.6
173.13260	8.5
175.14812	8.7
177.12758	3.8
185.13237	8.8
199.14806	4.7
213.16263	3.8
231.21043	6.4
239.23790	4.7
241.19531	26.3
259.20615	82.7
298.87631	2.7
313.27390	100.0
315.23248	6.2
333.24225	55.4
439.96149	2.5
571.47168	16.3
582.34674	2.8
589.48853	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	625.14
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69441	0.1
57.03450	0.1
67.01855	0.4
68.99812	0.3
69.03422	0.2
70.06573	0.1
71.04988	0.2
71.53570	0.1
71.53917	0.1
76.03565	0.1
78.73965	0.1
79.05467	0.1
81.03423	0.1
82.03141	0.1
85.02903	1.0
88.46187	0.1
89.03928	0.1
95.01339	0.4
97.02892	0.3
103.03934	0.1
107.04954	0.1
109.02868	0.1
110.77004	0.1
117.03381	0.1
119.30583	0.1
127.03911	0.2
129.01855	0.1
129.52109	0.1
135.04422	1.3
137.02356	0.4
137.06049	0.1
141.01836	0.7
145.04977	0.2
147.04356	0.1
153.01837	4.6
158.02716	0.1
159.02963	0.1
161.02336	0.4
167.05014	0.1
171.02853	0.4
179.03381	0.3
193.06459	0.2
203.03304	0.1
210.28258	0.1
219.06561	0.1
241.05016	0.4
258.05310	0.2
263.05432	0.1
269.04468	0.3
286.04697	0.8
287.05499	100.0
288.05832	1.0
301.07086	2.4
301.10587	0.1
317.06516	0.7
330.44138	0.1
449.10837	0.6
463.12357	0.3
486.23276	0.1
625.13782	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01873	2.7
57.03424	1.6
61.02916	1.0
64.00395	0.4
65.03938	0.7
68.23111	0.5
68.99794	0.6
69.03437	7.1
70.06596	0.8
71.04996	1.7
71.53921	0.6
73.02911	1.9
79.05484	1.3
81.03423	6.8
81.07039	0.9
85.02908	19.3
85.36876	0.4
85.51939	0.5
87.00838	5.7
89.41929	0.6
91.05473	3.1
93.07040	1.1
94.04190	2.0
95.04948	0.8
97.02905	6.7
99.04443	2.8
103.03927	0.9
103.05489	2.5
105.01881	5.9
105.07049	4.1
107.04964	1.0
109.02890	8.4
109.06520	1.5
115.03923	0.6
115.05467	2.0
117.01832	0.6
117.07017	1.4
119.05003	0.6
119.08591	1.8
120.54642	0.4
121.06513	1.5
122.03632	4.6
127.03925	17.8
128.06235	1.0
129.01839	1.1
129.06982	1.1
131.04927	1.0
132.05716	1.5
133.06505	3.0
137.05984	100.0
144.05643	0.5
145.04959	8.9
145.06509	1.0
146.03700	0.6
147.02899	1.1
147.04457	1.7
147.08080	2.0
149.05989	3.7
151.03934	1.5
151.07564	1.5
153.44154	0.5
155.04945	1.1
157.06516	0.9
159.02902	5.6
159.08064	2.0
160.05220	1.1
161.05994	14.5
162.06700	1.4
163.07530	2.3
167.06982	0.5
172.05228	0.9
175.07561	26.8
177.05435	0.6
177.09187	0.6
178.07721	0.5
179.07080	1.5
185.05980	0.6
187.07533	8.8
189.05533	0.6
189.07120	0.8
189.08984	0.7
190.07753	1.3
191.06984	0.7
191.08574	6.4
193.08598	1.8
199.07596	3.8
202.07793	0.7
203.06975	1.0
203.08609	1.8
205.06688	0.5
205.08614	1.8
207.08089	0.8
208.08949	1.2
217.08615	1.8
218.07362	1.5
219.08067	10.5
220.08809	1.4
229.08615	1.3
231.05034	3.9
231.07980	2.9
233.09772	1.0
235.07552	1.2
236.08331	1.8
241.08606	0.7
247.07553	4.8
248.08363	2.0
251.10684	20.4
253.08537	0.9
259.07605	2.1
260.08337	1.6
261.09204	1.4
263.10718	1.7
264.07840	1.1
265.08585	1.2
267.10263	0.7
276.07773	1.0
277.08615	1.0
279.10184	15.4
280.10870	1.0
281.08206	0.7
289.08762	0.6
291.10162	6.2
292.11166	0.7
296.10419	2.1
297.11295	0.9
302.04266	0.9
303.10141	1.9
308.10403	0.6
309.11224	2.0
311.12793	58.9
317.06470	5.1
321.11322	2.0
323.12799	19.3
333.11377	1.0
335.12704	5.4
337.14325	1.0
341.13968	5.6
345.11499	0.6
347.12775	1.8
353.13797	4.3
359.12686	0.7
365.13977	1.9
373.14618	0.7
377.13849	1.7
395.15146	0.7
401.13852	4.7
419.14944	2.2
437.16162	1.1
505.15033	1.7
523.16119	3.1
541.17078	3.3
559.18188	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01873	2.1
57.03421	1.6
57.53416	0.7
57.85202	0.7
59.30824	0.7
59.99928	0.7
61.02913	1.3
64.24017	0.7
65.53914	0.7
66.02020	0.8
66.86463	0.6
69.03439	7.0
69.35648	6.9
71.05013	2.2
73.02917	1.5
77.29556	0.7
79.05498	1.5
81.03431	7.9
81.07051	1.5
85.02911	19.3
87.00826	6.1
91.05478	3.6
93.07066	2.1
94.04222	1.7
97.02906	6.7
97.13714	0.8
99.04451	2.5
105.01264	0.7
105.01874	4.6
105.07049	5.2
109.02883	7.6
109.06534	0.9
115.03914	1.2
115.05444	1.9
117.07034	1.7
119.04949	1.1
119.08601	1.7
121.06516	1.1
122.03638	4.9
127.03925	18.4
129.01883	1.1
129.06996	1.3
130.04189	0.8
131.04933	1.8
132.05696	1.4
133.06522	4.1
137.05988	100.0
145.04956	8.7
145.06488	2.4
147.02809	1.1
147.04391	1.7
147.08054	3.2
149.06013	3.8
151.07468	1.4
157.06543	1.0
159.02953	4.2
159.08069	2.4
160.05252	1.3
161.06004	15.8
163.07574	2.4
165.05525	0.7
169.06631	1.2
171.08104	0.8
172.05193	1.3
175.07553	24.5
175.09018	1.4
179.07079	0.9
187.07556	9.8
189.09099	1.0
190.07787	1.9
191.08530	7.8
193.08513	1.1
199.07549	4.0
203.08656	2.3
205.08568	1.2
207.08043	1.0
208.08853	0.8
218.07254	1.3
219.08072	10.4
220.08749	1.3
229.08578	1.7
231.05145	3.9
231.08034	2.9
235.07544	1.6
236.08391	2.3
237.09126	1.2
247.07549	6.3
248.08284	2.1
251.10701	19.2
259.07562	1.5
261.09076	1.2
263.10696	2.2
264.07922	1.1
265.08643	1.4
275.10590	0.9
277.08719	1.3
279.10217	16.1
280.10815	1.2
281.07831	1.1
291.10196	6.9
296.10474	2.0
297.11356	1.0
302.04086	0.9
303.10001	1.9
309.11234	1.3
311.12796	55.8
315.10040	0.9
317.06567	7.1
321.11322	2.9
323.09302	1.5
323.12827	21.2
331.07755	0.9
333.11200	2.4
335.12897	4.2
341.13800	6.0
347.12686	1.4
353.13919	3.5
365.13553	2.0
377.13766	2.4
401.13803	3.1
419.15225	1.2
505.14856	1.4
523.16211	3.9
541.17010	2.6
559.18451	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	623.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.4
53.03954	4.8
53.88953	0.6
54.11688	0.6
55.01877	6.4
55.05265	1.1
55.05517	15.5
55.08045	0.7
57.03441	13.8
57.07082	2.2
65.03938	5.1
65.58562	0.7
67.05510	54.6
69.03430	2.6
69.07072	12.3
71.04998	3.3
71.53436	0.9
77.03938	1.4
79.05499	37.8
81.03429	11.7
81.07062	41.1
83.04988	6.8
83.08636	7.9
85.02921	1.4
85.06546	8.8
91.05486	42.9
93.07053	37.4
95.01352	2.2
95.04977	46.0
95.08617	28.0
97.06541	6.7
97.10207	3.8
103.05499	2.0
105.04520	1.8
105.07035	36.5
107.04955	11.6
107.05619	1.0
107.07881	1.3
107.08604	19.9
109.06519	29.1
109.10163	8.6
111.04475	1.2
111.08095	3.0
112.22322	0.7
113.06020	14.4
113.09626	0.9
115.05470	3.1
117.07024	20.5
119.05000	0.8
119.08590	24.1
121.06525	5.7
121.10152	11.1
123.04492	1.6
123.08075	6.5
123.11708	1.9
125.09657	2.3
128.06244	3.9
129.05565	1.1
129.07014	12.0
130.07820	1.7
131.04962	1.0
131.08577	26.9
132.51047	0.7
133.06476	3.9
133.10135	18.6
135.08060	15.6
135.11713	9.0
137.05998	1.8
137.09583	1.7
141.07011	4.9
142.07828	3.4
143.08569	14.0
143.50233	0.8
144.09337	0.9
145.06522	3.9
145.10129	20.2
147.08051	4.8
147.11693	11.8
149.09621	4.9
149.13255	3.7
151.11238	1.0
153.07043	1.5
154.07849	1.2
155.08562	6.5
156.09323	1.2
157.10153	10.6
159.08104	3.9
159.11707	14.5
160.05226	1.0
161.06035	1.5
161.09567	5.1
161.13297	5.6
163.11227	3.5
166.07838	0.9
167.08563	3.5
169.10107	7.8
171.08073	1.2
171.11688	10.9
173.06062	1.8
173.09726	2.5
173.13242	7.9
175.11232	2.0
175.14893	2.5
177.12706	3.5
179.08618	1.7
179.14388	1.3
181.10167	4.2
183.08066	0.7
183.11716	6.2
185.09723	1.8
185.13235	6.5
187.11255	3.9
187.13393	0.8
187.14897	3.3
189.16478	1.0
191.14375	0.9
193.10214	1.5
194.38876	1.0
195.11737	4.6
195.13803	2.6
197.13261	4.5
199.11252	2.3
199.14864	4.2
201.12724	2.0
201.16496	2.2
205.12299	1.8
207.11809	2.5
209.13277	4.1
211.11266	1.0
211.14917	3.0
213.12778	1.2
213.16426	2.4
215.14386	1.0
215.17963	1.6
217.15851	6.5
219.11612	0.9
221.13269	1.9
221.15375	1.0
223.11319	1.2
223.14853	2.8
225.12836	1.0
225.16516	1.5
227.18126	2.0
229.19618	0.9
233.15584	1.0
235.14941	2.3
237.12772	1.1
237.16515	2.2
239.18091	1.7
241.14297	1.5
241.19585	3.1
243.20976	0.8
245.19054	1.2
247.15051	1.4
249.16470	0.8
255.17561	2.3
256.01740	0.9
257.19003	4.7
259.20596	5.1
271.13266	0.9
271.17160	1.0
271.20416	0.8
273.15530	1.4
273.18491	15.0
275.20132	7.0
279.15955	7.7
281.17438	1.0
283.20584	1.0
285.07568	1.7
291.19550	26.2
292.19815	1.0
295.60529	0.9
297.22177	0.8
309.20908	1.1
311.23709	1.0
315.23386	3.8
325.25204	1.1
327.26962	1.8
331.23022	1.0
333.24374	3.4
339.23331	1.1
347.22205	5.6
349.23843	1.6
353.24841	1.1
365.24170	0.8
394.06931	0.8
461.29105	2.4
511.37720	1.3
513.37018	2.7
525.35712	1.6
527.37439	1.5
531.38715	4.5
549.39105	3.8
551.37335	2.2
565.38818	1.5
567.41010	3.6
595.43304	1.6
605.33069	1.2
605.42200	17.1
623.43140	100.0
624.43756	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	623.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01881	4.6
55.02106	1.0
55.05516	29.4
57.03435	4.9
57.07073	2.3
59.05013	1.1
63.76913	0.7
65.03934	2.3
67.05511	39.5
69.03429	4.1
69.06723	1.2
69.07072	16.1
70.77079	1.8
71.04993	2.7
71.16400	0.7
79.05499	34.2
81.03426	2.2
81.07067	32.9
83.05013	4.2
83.08630	11.6
85.06535	2.1
91.05489	29.7
93.07052	24.3
95.04992	5.1
95.08617	23.9
97.06530	3.5
97.10181	16.4
99.08055	1.1
100.35963	0.7
103.05470	2.4
105.07042	26.5
107.04990	3.8
107.08606	19.0
109.06518	3.5
109.10172	11.1
111.08082	1.9
113.00050	0.8
115.05463	3.1
116.06205	0.7
117.07024	17.4
119.08592	19.9
121.06494	2.6
121.10139	7.4
123.08093	3.0
123.11721	2.5
125.09634	14.3
128.06187	6.5
129.07025	14.5
130.07787	1.8
131.08588	15.9
133.06473	1.0
133.10143	13.2
135.08057	2.8
135.11696	4.7
137.09570	1.1
139.11278	0.9
141.07007	7.7
142.07813	4.1
143.08585	14.5
144.09392	0.9
145.06474	3.1
145.10143	13.1
147.08006	1.9
147.11705	8.9
149.09676	2.2
149.13274	3.1
151.11185	1.4
153.06973	1.8
153.09116	2.1
154.07793	3.1
155.08569	14.9
156.09369	1.4
157.06490	1.2
157.10139	14.5
159.08087	2.4
159.11717	9.9
161.09592	1.8
161.13271	3.8
163.11223	1.4
165.07036	2.4
166.07823	1.8
167.08600	7.6
168.09361	2.2
169.06471	1.1
169.10133	14.2
170.10965	1.0
171.08060	1.3
171.10240	1.1
171.11670	12.0
173.09621	1.8
173.12009	1.0
173.13274	5.0
175.14839	1.3
179.08575	3.6
180.09439	1.2
181.10158	7.8
182.10892	1.7
183.11714	12.5
184.12546	1.3
185.09631	1.8
185.13306	8.2
187.11234	1.5
187.13326	0.8
187.14871	2.6
189.11243	10.4
189.16348	1.1
192.09348	1.0
193.10197	4.3
194.10872	1.5
195.11676	8.2
196.12541	1.7
197.09601	1.2
197.13298	9.7
199.11232	1.5
199.14828	4.7
201.12738	1.4
201.16464	1.2
205.10219	2.4
207.11743	3.7
209.13271	6.0
209.15154	1.2
211.14827	6.1
213.16364	3.8
214.17024	0.8
219.11674	2.1
221.13286	2.5
223.15056	4.5
225.16454	4.8
227.12750	11.7
227.17859	1.7
229.16055	1.0
233.13222	1.0
235.14803	2.2
237.16379	3.0
239.18005	6.2
241.19537	1.8
249.16576	2.1
251.17896	2.8
253.15903	1.1
253.19537	2.2
255.17430	1.4
257.19000	2.1
259.20560	3.4
263.17972	1.8
265.19522	1.1
267.17410	0.8
271.16965	3.3
273.18680	1.4
275.20206	3.7
281.19009	1.0
283.20566	1.4
291.19556	9.4
297.22156	1.7
301.21582	0.9
309.22232	1.7
313.21445	0.9
315.23285	2.1
321.22278	0.9
323.23804	1.0
325.21512	1.0
327.23276	1.2
331.22775	1.4
349.24631	1.1
353.24539	1.7
363.26685	1.7
377.28629	1.6
379.30057	10.4
418.17352	1.5
419.18124	1.2
432.19171	1.8
433.20050	3.8
433.30954	1.4
434.20670	2.2
435.21695	1.8
445.20566	1.1
447.22018	0.9
448.22684	4.5
451.31662	1.0
461.19208	1.0
462.20712	1.0
475.21466	2.4
475.32001	0.9
476.21780	9.5
477.22446	2.3
511.37753	2.6
513.37085	3.6
521.25366	1.3
525.35956	9.1
531.38568	5.8
535.24872	0.9
536.23718	6.6
548.23584	1.5
549.39606	4.1
550.46002	0.9
553.34613	1.2
554.36035	2.8
563.26355	8.6
564.26538	1.4
567.40228	2.0
591.24475	1.0
605.41980	19.1
623.27838	51.1
623.42853	100.0
624.28564	2.3
624.43585	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	623.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.9
55.01877	9.7
55.05517	28.9
55.29637	1.7
57.03440	12.7
57.44744	1.6
57.59135	1.7
61.02930	11.4
65.03926	3.2
67.05511	54.4
69.03434	17.1
69.07076	17.0
71.01358	3.2
71.04987	7.6
71.54451	2.6
73.02929	4.3
79.05502	42.9
81.03426	58.4
81.07062	56.9
83.04985	16.8
83.08626	18.8
85.02911	19.2
85.06542	3.4
87.77657	1.8
90.53770	1.7
91.03961	4.6
91.05487	42.9
93.07050	43.5
95.04978	26.7
95.08622	25.6
97.02909	15.4
97.06521	8.9
97.10181	12.6
99.04457	6.6
99.08067	3.6
103.03964	2.9
105.04503	2.7
105.07037	36.3
106.75343	1.6
107.04966	11.7
107.08602	26.8
109.02898	12.9
109.06530	8.5
109.10166	9.9
111.04456	9.2
111.08085	6.7
111.73571	1.6
115.05481	4.0
116.14766	1.9
117.07018	16.2
119.04900	3.1
119.08598	22.6
121.06500	9.7
121.10152	11.3
123.04444	4.7
123.08054	5.7
123.11710	3.1
125.09647	8.8
127.03921	6.8
128.06203	2.8
129.05539	2.1
129.07007	16.9
131.04913	4.2
131.08571	22.4
133.06509	9.6
133.10156	18.4
135.08052	6.6
135.11693	7.0
137.09557	2.9
141.07071	2.2
142.07793	2.2
143.08572	12.1
145.06497	9.7
145.10118	9.7
147.08031	8.2
147.11682	13.2
149.05878	2.1
149.09602	4.9
149.13260	7.9
153.09129	2.6
155.08565	6.7
157.06601	2.4
157.10158	13.3
159.08025	2.9
159.11641	9.0
161.09592	3.9
163.11195	6.0
165.12755	3.3
169.10129	3.6
171.08070	3.9
171.11682	6.0
173.04492	3.2
173.05899	1.9
173.09595	3.6
173.13251	2.3
175.11174	7.4
177.12747	4.7
181.10115	5.2
183.11702	4.9
185.09538	2.6
189.11209	6.0
193.12271	12.5
195.11816	2.8
195.13818	6.3
197.13310	3.6
199.14758	4.0
207.11794	3.1
207.13828	2.8
211.13318	19.0
217.15862	3.2
227.12675	4.8
227.14624	2.4
233.15494	2.6
235.13341	2.5
239.14296	2.5
257.15442	3.8
267.15970	11.6
269.17526	8.9
273.15045	4.8
273.18726	2.2
275.20044	2.7
285.07584	7.2
285.17111	2.4
289.91992	2.0
297.17166	2.1
301.14182	2.3
303.15854	2.1
323.23624	2.2
339.17807	2.7
351.23242	4.8
369.24310	14.6
387.25342	7.0
395.20743	3.8
411.19974	2.7
417.26392	3.8
435.27231	5.9
443.27921	26.3
461.29016	100.0
479.29874	8.4
485.28751	2.4
503.29926	7.8
551.30151	2.6
569.31018	6.5
587.31671	6.2
605.33258	11.9
623.34686	47.8
623.43427	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	623.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.2
55.01873	3.2
55.05519	12.4
57.03451	5.8
61.02931	21.5
63.59821	1.2
65.03957	1.6
65.76682	1.1
67.05177	1.8
67.05512	26.3
69.03431	5.4
69.07076	9.7
70.78558	3.1
73.02913	3.9
79.05059	2.2
79.05499	26.8
81.03419	5.4
81.07067	24.8
83.04972	2.9
83.08609	9.0
85.02912	15.3
85.06548	2.1
91.03982	8.6
91.04500	1.5
91.05485	30.5
93.07060	19.4
95.04977	4.4
95.08614	15.5
97.02925	9.8
97.06548	6.0
97.10187	3.7
105.07043	27.3
105.62975	1.1
107.04974	4.6
107.07966	1.5
107.08627	10.2
109.02880	2.2
109.06539	3.2
109.10127	5.8
111.08112	2.1
113.06026	1.4
115.05473	3.3
117.07034	22.5
119.08592	15.0
121.06498	4.5
121.10124	7.4
123.08057	4.3
125.09626	3.3
127.03891	3.4
128.06233	4.8
129.07016	25.5
129.07921	2.0
131.04962	2.6
131.08577	29.3
133.06523	5.4
133.10139	7.7
135.08044	2.6
135.11739	3.2
137.09673	2.0
139.11125	1.9
141.06990	11.9
142.07793	2.6
143.08583	20.4
145.06483	7.2
145.10138	12.2
147.08044	5.8
147.11664	4.3
149.09596	4.4
155.08557	15.2
157.06543	1.9
157.10152	9.9
159.08098	3.8
159.11636	5.9
161.09665	1.7
163.11180	1.7
167.08578	7.7
169.10144	12.3
171.08049	2.5
171.10448	1.3
171.11679	7.2
173.09639	3.0
173.13205	2.3
175.11220	2.3
177.12747	1.9
179.08633	2.4
181.10136	6.6
183.11795	7.8
185.09659	2.7
185.13214	5.6
187.11201	2.7
187.14874	2.7
193.10178	3.6
193.12143	2.0
195.11708	6.0
196.21104	1.2
197.13319	7.2
199.11168	3.1
199.14915	3.3
203.14452	1.7
207.11681	3.2
209.13226	7.3
211.11191	2.4
211.14871	4.5
213.12801	3.5
213.16411	1.5
215.14368	5.2
221.13281	6.5
223.14842	5.9
225.12808	3.2
225.16376	1.7
227.14392	1.5
229.14287	1.4
235.14848	5.0
237.16490	1.5
239.14357	4.2
249.16655	1.7
253.15930	3.0
257.15369	2.3
259.16983	1.6
271.16925	3.1
285.18448	1.4
289.17944	1.6
305.22501	1.9
323.23767	4.9
333.22189	10.3
341.24750	5.8
351.23224	34.2
369.24298	26.9
376.17850	1.3
387.25452	13.5
387.30209	1.9
407.25717	1.4
415.28561	2.0
425.26862	6.2
433.29633	2.9
443.27988	100.0
461.28992	70.3
462.29144	1.5
587.32819	2.0
605.33075	2.0
623.34052	3.9
635.97845	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	623.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09637	0.2
55.01878	0.3
55.05510	0.6
57.03439	0.4
65.03964	0.3
67.05508	1.7
67.74263	0.2
69.07062	0.8
75.04015	0.2
79.05508	1.7
81.03425	0.3
81.07055	1.9
83.04977	0.2
83.08614	0.5
91.05476	1.5
92.03943	0.2
93.07063	1.6
95.04997	0.3
95.08618	1.2
97.06529	0.5
97.10128	0.3
99.53553	0.2
105.07031	1.8
106.06549	0.4
107.04968	0.4
107.08578	1.4
109.10172	0.5
115.05517	0.3
117.07027	0.7
119.08587	1.1
120.08162	0.4
123.65241	0.2
125.09631	0.2
128.19231	0.2
129.06985	0.6
131.08583	0.9
133.10143	0.6
135.08098	0.4
143.08557	0.5
145.10150	0.6
147.11696	0.4
149.09641	0.2
150.56886	0.2
155.08585	0.4
157.10155	0.5
159.08147	0.3
159.11673	0.5
169.10158	0.4
172.04034	0.3
183.09161	0.3
183.11745	0.3
187.11169	0.2
196.09753	0.2
197.10789	0.2
204.06563	0.2
207.09354	0.2
209.10786	0.3
211.08678	0.2
211.12395	0.3
221.10777	0.4
223.08899	0.2
223.12404	0.4
225.10320	0.3
225.13954	0.5
230.21039	0.2
235.12605	0.2
237.10284	0.4
237.13849	0.4
239.17793	0.2
249.10246	0.3
251.11847	0.5
257.19116	0.2
259.89005	0.2
263.11707	0.2
265.13284	0.3
271.17023	0.5
275.20059	1.6
298.13489	0.3
304.16083	0.3
314.12967	0.3
330.15912	0.2
337.11935	0.2
340.14337	0.4
344.12619	0.3
349.23892	0.3
354.16098	0.3
358.71716	0.2
369.14719	0.2
370.15585	0.2
375.16559	0.3
376.17139	0.3
377.17728	0.4
387.79974	0.2
388.16977	0.3
389.17712	0.9
390.18643	0.3
391.19370	1.2
392.19916	0.3
393.21048	0.4
400.16663	0.3
401.17300	0.2
402.18536	0.6
403.19495	1.3
404.15869	0.4
404.20255	0.6
405.12335	0.2
405.16794	0.6
405.21329	2.1
406.21927	1.0
407.22437	0.8
415.19583	0.4
416.15973	0.3
417.16214	1.0
417.21326	0.7
418.17368	1.0
419.17648	2.5
419.22684	1.6
420.18759	0.4
420.23541	0.6
421.24268	2.4
429.16666	1.0
430.17429	0.4
431.18622	1.0
431.22775	1.0
432.18842	1.0
433.19955	3.6
433.25681	0.3
434.20773	1.4
435.21915	1.5
443.18414	1.0
444.19250	1.0
445.20245	3.3
446.21228	1.4
447.17139	0.7
447.22467	3.2
448.23315	1.3
449.23526	5.3
450.24588	0.4
457.20267	0.7
458.21027	1.3
459.21924	2.9
460.22549	0.8
461.19791	1.9
462.19617	1.2
463.21078	1.3
465.23059	0.3
471.22327	0.3
473.23904	0.3
475.20776	1.8
476.22064	5.2
477.23001	4.2
478.23727	0.4
479.24188	0.3
485.23495	0.3
487.25153	0.3
489.23141	2.3
490.23541	0.6
493.22183	0.5
503.25034	1.7
504.25665	0.3
505.22055	0.7
508.24789	0.5
517.21796	0.3
519.24127	0.9
520.24908	0.3
521.21094	1.0
531.23956	0.6
533.25598	3.6
535.27405	4.3
545.18365	0.3
545.25262	1.4
547.26813	0.6
561.23370	0.2
563.26581	18.8
564.26831	0.5
565.24506	0.3
576.24036	0.5
591.26080	1.2
593.27551	0.5
595.29065	0.9
605.27325	2.9
605.42285	0.5
606.28210	2.2
623.28662	100.0
624.28870	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	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85073	0.4
50.85284	0.3
53.03948	0.5
55.01857	0.7
55.05512	1.9
57.03443	0.6
57.07072	0.4
59.16168	0.4
67.05509	3.0
69.07066	1.0
72.80398	0.4
73.06270	0.3
79.05502	2.7
81.03431	0.4
81.07071	3.0
83.08613	0.5
91.05484	2.5
93.07046	2.5
95.04971	0.8
95.08603	1.6
97.06512	0.9
97.10157	0.4
105.07034	2.2
107.08622	1.3
109.06543	0.5
109.10165	1.0
117.07018	1.1
117.47534	0.4
119.08604	1.7
119.73194	0.4
121.10127	0.4
129.07025	0.5
131.08575	1.1
133.10123	1.8
143.08574	0.4
145.10146	1.3
147.11617	0.7
155.08578	0.5
157.10109	0.8
159.11694	0.6
183.11728	0.5
197.13290	0.6
237.14050	0.4
271.17007	0.4
273.18515	0.6
275.20181	1.2
313.27573	0.4
324.51825	0.4
364.67496	0.4
389.17770	0.6
390.18570	0.4
391.19083	1.9
392.19873	0.6
393.21262	0.5
403.19516	0.6
404.15982	0.5
404.20728	0.4
405.21347	2.4
406.21536	2.4
407.22263	1.2
418.17426	2.5
419.17926	3.5
419.23239	1.2
420.18546	0.4
420.23471	3.9
421.23975	2.0
432.18860	1.8
433.20117	7.8
434.20831	3.0
435.21494	0.7
446.21136	1.1
447.22409	5.0
448.22855	4.4
449.23776	2.8
450.24298	0.6
457.79404	0.4
461.19217	0.7
461.24118	0.7
462.20670	1.3
463.21222	2.7
475.21240	1.4
476.22009	4.6
477.22876	7.2
479.24158	0.5
489.23157	2.0
503.24734	1.2
508.25171	0.5
511.38068	0.7
519.23975	1.0
520.25208	0.6
521.21790	1.1
531.23859	0.4
534.26666	3.0
535.27582	4.2
549.24554	0.6
563.26532	24.2
591.25659	0.9
594.28314	1.2
595.29163	0.9
623.28656	100.0
623.42975	2.9
624.28674	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	623.2865
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
55.01872	0.4
55.05511	0.9
67.05516	1.9
68.28528	0.2
69.07072	0.4
79.05508	1.6
81.07057	1.9
83.08628	0.4
91.05489	1.5
93.07078	1.6
95.04993	0.6
95.08617	1.1
97.06589	0.3
97.10154	0.2
103.05529	0.3
104.17113	0.2
105.07047	1.6
107.04996	0.3
107.08603	1.1
107.21018	0.3
109.06519	0.4
109.10144	0.6
117.07010	1.0
119.08566	1.1
121.10131	0.3
129.07039	0.5
131.08594	0.7
133.10159	0.8
135.08066	0.3
135.11746	0.3
141.07037	0.3
143.08557	0.3
145.06531	0.4
145.10170	0.7
147.08092	0.2
147.11653	0.4
149.09665	0.3
155.08540	0.4
157.10072	0.4
159.11722	0.5
169.10193	0.3
171.11633	0.3
177.83154	0.2
183.11777	0.3
194.08360	0.3
197.10872	0.2
206.64180	0.2
223.12378	0.4
271.17126	0.4
273.18610	0.3
275.20142	0.7
311.14063	0.3
375.16049	0.7
376.17267	0.2
377.17908	0.3
387.16223	0.3
388.17270	0.5
389.17664	2.9
390.18729	1.3
391.19141	2.7
401.17798	0.4
402.18665	0.7
403.19516	2.6
404.20398	1.3
405.20798	9.5
406.21704	1.0
415.19196	0.7
416.20102	0.9
417.16452	6.3
417.20947	1.5
418.17429	3.0
419.18475	3.6
420.18970	0.3
421.20151	0.3
429.21088	0.5
431.18365	6.3
431.24246	0.3
432.19385	8.2
432.24664	0.4
433.20209	9.6
434.21185	0.5
435.21936	0.5
443.18515	0.4
444.19278	0.6
445.20459	3.3
446.21036	0.8
447.22470	0.5
449.23941	1.6
450.24106	0.3
457.20190	0.3
458.21442	0.4
459.22043	1.9
461.19513	2.8
462.20325	1.1
463.21277	2.0
464.22153	0.5
465.22787	0.3
475.21069	1.9
476.22018	4.0
477.23587	4.8
478.23712	0.6
481.57874	0.3
487.21143	0.5
489.23425	1.3
490.23782	0.4
491.24911	1.8
503.24963	1.1
504.21564	0.7
505.22299	0.3
507.23358	0.3
508.24774	0.4
511.37863	0.2
519.23938	25.5
520.24445	0.7
521.21039	1.2
533.21631	0.3
535.26593	0.9
536.24207	0.3
545.25220	0.4
547.23431	0.7
548.24701	0.6
551.26666	0.6
563.26563	18.0
564.26752	0.4
579.26031	5.8
580.26801	0.4
591.25964	0.7
595.28644	0.5
599.31854	0.3
605.27051	0.6
605.42047	0.6
623.28656	100.0
624.28833	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	623.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.01866	0.6
55.05512	2.2
57.07055	0.3
58.08360	0.2
59.83222	0.2
67.05508	3.1
69.03428	0.3
69.07079	1.5
70.38725	0.8
70.99143	0.2
71.04992	0.3
79.05497	2.9
81.03415	0.3
81.07059	3.3
83.04990	0.4
83.08615	1.2
91.05489	2.8
93.07059	2.3
95.04948	0.5
95.08627	2.1
97.06553	0.7
97.10175	1.1
105.07030	2.4
107.08620	1.3
109.10171	1.0
117.07046	1.2
119.08587	1.6
121.10156	0.5
125.09647	0.8
128.06258	0.3
129.07018	1.0
130.07791	0.2
131.08598	1.8
133.10100	1.4
135.08072	0.4
135.11739	0.4
141.06989	0.4
143.08592	1.4
145.10110	1.2
147.11719	0.7
149.09608	0.4
155.08624	0.6
157.10164	1.0
159.11749	0.9
161.09627	0.2
167.08611	0.3
169.10197	0.8
171.11690	0.6
173.13316	0.5
177.12788	0.3
181.10173	0.6
183.11688	0.6
185.13327	0.4
187.14818	0.3
189.11215	0.3
195.11682	0.3
197.13394	0.5
198.79135	0.2
199.14745	0.3
202.81963	0.2
207.11670	0.3
209.10788	0.5
209.13335	0.4
211.14836	0.3
223.14925	0.2
227.12767	0.4
239.17928	0.4
246.37550	0.2
257.19016	0.6
266.93356	0.2
275.20099	2.1
291.19632	0.6
312.14886	0.4
324.15076	0.3
364.38193	0.2
368.83478	0.2
375.16245	0.5
379.30286	0.2
388.17108	0.2
389.17859	0.8
390.18484	0.5
391.19214	0.7
401.18030	0.5
402.18512	0.7
403.19250	1.8
404.19940	0.9
405.16312	0.3
405.20947	1.5
415.19244	1.1
416.20129	0.9
417.17065	1.7
417.21024	1.6
418.17447	0.5
418.22305	0.4
418.27371	0.2
419.22488	4.7
420.23257	0.4
428.16385	0.4
429.17020	0.8
429.21793	0.4
430.17596	0.8
430.22345	0.4
431.18686	3.0
431.22864	1.9
432.18665	1.3
433.20087	1.7
433.31152	0.3
435.21802	0.6
442.17831	0.5
443.18649	3.0
443.23181	0.3
444.19290	1.4
445.20139	7.5
446.21085	4.1
447.22134	4.7
449.23788	1.4
449.29602	0.3
457.20322	0.9
458.21069	0.9
459.22058	3.1
460.22952	0.3
461.20007	1.0
462.20615	1.1
463.21078	1.7
471.21997	0.4
473.23477	0.7
475.20740	1.5
476.22031	4.9
477.23035	5.6
478.23621	0.4
489.23038	1.7
490.23715	0.6
491.20398	0.5
501.22784	0.5
503.24265	0.8
505.22601	1.1
517.21521	0.3
521.21503	1.3
525.35925	1.0
531.23853	0.6
531.38336	0.6
533.25549	13.8
535.24042	0.9
545.25360	0.8
548.24310	0.4
549.39661	0.4
561.24530	0.4
563.26538	17.6
564.26514	0.5
590.25269	0.4
591.25928	0.3
592.26593	0.5
593.27563	4.1
594.25250	0.4
595.29053	0.6
605.27960	1.3
605.42102	1.0
623.28662	100.0
623.42841	5.2
624.28961	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	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05491	0.3
91.05534	0.3
93.07069	0.3
148.35359	0.3
211.15045	0.3
223.12340	0.4
339.99622	0.3
375.15826	0.4
387.16309	0.4
388.16580	0.3
389.17990	0.6
390.18539	0.3
391.19269	1.2
401.18295	0.5
402.18814	0.8
403.19449	1.5
404.20105	0.5
405.21140	1.5
406.21906	0.4
407.22437	0.7
415.19308	0.9
416.20468	0.4
417.16959	0.9
417.21024	1.1
418.22031	0.5
419.22650	2.6
420.23257	0.9
428.15466	0.4
429.21219	0.6
430.17120	1.3
431.17761	1.6
431.23453	0.5
432.19348	0.9
433.20206	4.2
434.21350	0.4
435.21927	0.7
443.18616	1.1
444.19504	1.1
445.19894	2.9
446.21155	1.9
447.22263	2.7
448.22696	1.1
449.23221	0.5
457.20264	0.4
458.20883	4.3
459.21722	3.6
460.22690	3.0
461.19141	0.5
461.23907	0.4
463.21457	1.8
472.22400	0.4
473.23282	0.9
475.21509	0.9
476.22058	1.2
477.22833	1.6
485.23245	0.5
487.24954	0.8
489.23816	0.4
501.23080	0.3
503.25137	0.6
504.25256	0.3
505.21997	0.4
505.26395	0.3
517.22882	0.9
518.23065	3.7
519.23669	0.4
521.21741	1.5
530.22772	0.4
531.23755	0.9
532.24677	0.3
533.25623	6.2
533.33014	0.5
535.27808	1.5
545.25690	3.3
546.26208	1.6
548.24902	0.3
563.26624	4.0
573.25098	1.0
577.28125	0.6
590.25159	0.5
605.27612	10.5
623.28668	100.0
624.28809	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	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
55.01873	0.5
55.05506	1.3
56.78829	0.2
65.03960	0.3
66.30854	0.2
67.05510	2.2
67.07729	0.2
69.03443	0.3
69.07072	0.8
70.68929	0.7
79.05492	2.0
81.03416	0.8
81.07057	2.0
83.04989	0.3
83.08625	0.7
91.05481	1.8
93.07033	1.4
95.04961	0.6
95.08614	1.2
97.06554	0.4
97.10162	0.8
105.04535	0.3
105.07056	1.6
106.06569	0.4
107.04967	0.3
107.08614	0.9
109.06516	0.3
109.10177	0.7
115.05460	0.2
117.07028	1.0
118.06565	0.3
119.08587	1.5
121.10136	0.5
122.09694	0.3
123.08061	0.3
125.09647	0.6
129.07021	0.7
131.08582	1.0
131.19321	0.3
132.08057	0.3
133.10146	0.9
135.08127	0.4
135.11716	0.5
141.06999	0.4
143.08598	0.6
145.06496	0.3
145.10139	0.8
147.11688	0.6
155.08582	0.8
157.10165	0.6
159.08066	0.3
159.11716	0.7
164.23936	0.2
167.08577	0.3
169.10153	0.6
171.11719	0.6
173.13274	0.3
183.09192	0.4
183.11674	0.5
184.10071	0.2
185.13277	0.2
189.11281	0.5
195.09123	1.2
196.10014	0.9
197.10789	0.9
198.11462	0.3
208.09866	0.5
208.11607	0.3
209.10757	3.4
210.11371	1.7
211.08691	0.8
211.12233	2.2
212.09592	0.3
212.13194	0.4
213.10342	0.3
221.10800	0.9
222.11528	0.6
223.08755	0.8
223.12286	4.0
224.09541	0.9
224.13065	5.1
225.10246	1.5
225.13857	1.8
226.14650	0.7
235.08769	0.8
235.12370	0.7
236.05498	0.3
236.09424	0.6
236.13147	0.3
237.10252	2.5
237.13835	3.3
238.10992	0.4
238.14655	1.2
239.08136	0.5
239.11827	0.6
239.15486	2.1
239.17726	0.3
247.12392	0.5
249.10321	1.0
249.13916	0.3
250.11116	0.9
251.08241	0.6
251.11862	1.2
251.15556	0.3
252.12733	0.6
253.09688	0.4
253.13432	0.5
255.11357	0.3
261.13867	0.3
263.08209	0.6
263.12027	0.3
263.15387	0.3
264.08954	0.3
264.12283	0.3
265.09869	0.9
265.13428	3.3
266.14044	0.4
267.08084	0.3
267.11392	0.3
267.15024	0.5
270.13528	0.2
271.17084	0.6
275.15393	0.5
275.20203	1.0
277.09833	1.1
277.17047	0.3
279.11353	0.8
285.12228	0.3
287.14407	0.4
290.16690	0.3
291.07852	0.3
295.10855	0.2
296.11734	0.9
297.12387	0.5
299.15430	0.7
300.15042	0.4
309.12396	0.5
311.13913	3.6
312.15018	0.5
314.12906	0.2
314.16357	0.3
323.10480	0.3
328.14532	0.5
337.11819	0.9
338.13116	0.3
339.13644	0.5
340.14557	0.4
354.16113	0.3
366.15836	0.3
388.20093	0.3
389.17526	0.4
390.22202	0.4
391.19296	0.7
394.15439	0.3
403.15302	0.3
404.16025	0.5
405.16556	0.4
405.20917	0.7
415.16797	0.3
416.17270	0.4
417.16937	0.5
418.17880	1.0
419.18414	2.7
431.18805	0.8
432.19736	0.8
433.20306	2.9
433.25333	0.3
435.21899	0.6
445.20532	1.0
446.21628	0.4
447.17404	0.5
447.22226	0.9
448.18414	0.3
448.23154	0.3
449.23392	1.0
454.17770	0.5
459.18085	0.4
460.19110	0.3
461.18811	1.6
462.20572	0.5
463.21356	0.8
474.20502	0.3
475.21136	1.5
476.22150	2.4
477.22852	3.0
478.22928	0.3
486.21677	0.3
489.23175	0.5
491.20822	0.3
493.22562	0.8
503.24435	0.7
505.22385	0.7
506.23120	0.3
516.21655	0.4
517.21735	0.3
520.24634	0.9
521.20972	0.3
521.26526	0.5
522.26428	0.4
531.23572	0.9
533.21948	0.7
534.23016	0.9
535.26752	3.6
546.23840	0.3
548.24316	3.2
549.25220	0.9
559.23590	0.4
562.22357	0.3
563.26538	26.5
564.27142	0.7
591.26038	5.5
594.24634	0.6
595.29529	1.7
605.24097	0.3
605.41943	0.6
623.28638	100.0
623.42908	3.5
624.28857	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64098	0.3
67.05502	0.5
67.36683	0.3
69.28944	0.7
69.29362	1.8
69.36584	0.3
81.07036	0.3
92.95184	0.3
93.07039	0.5
95.08643	0.4
98.21441	0.6
117.07056	0.3
122.88003	0.3
275.20154	0.4
375.15976	0.4
376.17026	0.6
389.17908	0.3
390.18616	0.9
391.19275	1.1
399.16190	0.4
401.17630	0.4
404.16190	0.7
405.20779	3.1
415.19342	1.0
416.20206	0.5
417.21097	0.4
418.17776	1.0
419.17941	0.7
419.22937	0.5
420.23169	1.1
421.24158	0.6
429.20859	2.0
430.21786	0.4
431.22861	0.4
432.15558	0.7
433.19717	2.8
435.21835	0.5
443.22702	0.7
444.22919	1.1
445.24438	0.5
446.17130	0.4
447.17926	7.1
448.22687	2.4
449.23770	2.1
452.22238	0.5
458.25113	0.4
459.21518	2.5
460.22412	1.0
461.19305	6.7
462.20648	0.9
463.21329	1.2
472.22620	1.1
473.23343	1.0
475.21179	1.2
476.22021	19.3
477.22836	2.8
479.20917	1.0
485.23370	1.9
486.23907	0.5
487.25616	1.5
489.19748	0.9
503.24933	1.3
517.26044	1.3
519.24158	1.2
521.22699	0.4
531.24005	2.6
535.25787	0.5
536.23767	0.7
545.25531	11.7
546.26495	0.9
547.26776	0.8
563.26483	7.7
564.27063	0.6
573.24316	0.4
577.27747	0.5
591.25623	1.0
605.27612	2.3
623.28601	100.0
624.28735	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	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93748	1.2
70.59205	0.2
86.17011	0.2
98.21432	0.2
128.22961	0.2
134.72237	0.2
182.79227	0.2
237.13957	0.6
239.15375	0.3
251.15648	0.4
375.16611	0.3
376.17029	0.4
377.17899	1.1
378.18671	0.4
388.17816	0.3
389.18329	0.5
390.18570	0.7
391.19220	1.9
392.19946	1.7
393.20874	1.1
400.16986	0.5
401.17828	0.8
403.19785	0.6
404.20486	0.4
405.20856	2.6
406.21527	2.5
407.22342	7.1
413.17798	0.7
414.18256	0.6
415.19281	1.6
416.20099	0.7
417.21286	0.5
418.21884	0.5
419.17776	0.4
419.23044	1.3
420.23285	1.2
421.23895	6.8
422.24695	1.6
427.19574	0.5
428.19901	0.8
429.20963	3.3
430.21753	0.7
431.18094	0.4
431.23257	0.5
433.19611	1.1
433.24335	0.9
435.21481	0.3
442.21661	0.5
443.22635	2.6
444.23837	1.3
445.20413	1.0
447.17313	1.2
448.26630	0.3
456.19397	0.3
457.24112	0.9
458.17261	0.3
458.25027	1.6
459.22098	2.8
460.23123	1.2
461.19104	3.3
462.20447	1.2
463.21255	0.9
470.21677	0.4
471.22092	0.8
472.22937	1.9
473.18826	0.6
473.24472	0.6
474.20163	0.5
475.21274	4.7
476.21613	3.0
477.22662	2.6
478.23306	0.3
483.18338	0.4
484.19113	0.5
485.23608	5.0
486.20609	1.4
486.24002	0.9
487.21326	1.0
488.22141	1.3
489.22998	2.6
493.26273	0.5
497.22958	0.3
499.21280	5.0
500.22006	1.2
502.23895	0.5
503.24600	7.0
503.31958	0.3
504.21555	0.5
505.22192	0.7
507.24292	1.0
508.28256	0.9
513.22803	1.6
514.23547	0.6
515.24274	1.2
517.25757	1.7
518.22815	0.4
521.25732	0.7
529.25958	0.7
531.23901	0.5
535.27179	5.2
545.25519	22.6
546.25964	0.7
547.27124	0.4
563.26654	1.3
564.27216	1.6
573.25024	6.5
577.28296	1.3
591.26123	2.2
605.17590	0.4
605.27625	13.2
623.28638	100.0
624.28687	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	623.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03406	0.1
57.79169	0.1
61.02900	0.1
68.99789	0.1
69.03406	0.1
69.44864	0.3
69.45268	0.1
71.09249	0.1
71.49772	0.1
81.07060	0.1
84.94821	0.1
85.02914	0.7
87.13351	0.1
95.01334	0.3
97.02867	0.2
98.21519	0.1
103.51680	0.1
109.10113	0.1
113.02348	0.1
121.10029	0.1
121.19559	0.1
124.81052	0.1
127.03919	0.2
133.06494	1.0
135.04396	0.2
141.01796	0.6
145.05000	0.1
153.01810	1.0
159.02974	0.1
159.04417	0.3
163.06082	0.1
171.02853	0.1
177.05437	0.1
196.65562	0.1
217.08563	0.1
239.07097	0.1
242.05739	10.6
243.06268	0.2
248.08711	0.1
250.37512	0.1
257.04578	0.1
257.08197	0.1
270.05231	10.0
271.05594	0.1
274.49298	0.1
285.07571	100.0
286.07925	1.0
327.08597	0.1
447.12643	0.7
507.83875	0.1
535.95398	0.1
544.78516	0.1
623.06091	0.0
623.15881	1.2
623.25336	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	623.1972
Annotation	Pectolinarin
Peak:m/z	Relative Intensity
57.03439	0.6
57.88554	0.1
59.04984	0.1
65.28684	0.1
66.15971	0.1
69.37368	0.4
69.37784	0.3
70.98177	0.1
71.04996	3.4
75.04442	0.3
81.07031	0.1
83.04968	0.2
85.02911	4.3
97.02850	0.1
102.04728	0.1
127.03940	0.1
129.05484	0.9
147.04375	0.1
153.01799	0.7
163.07526	0.3
178.02554	0.2
189.05548	0.2
242.05759	1.2
254.05736	1.0
255.06628	0.1
257.04611	0.1
258.05362	0.2
270.05219	1.1
271.06012	6.3
272.06433	0.1
276.74628	0.1
282.05176	0.1
285.03983	1.2
285.07574	5.9
286.04736	2.4
297.04199	0.3
299.05508	24.8
300.06262	5.6
301.07034	1.7
315.08615	100.0
316.08984	1.2
427.62704	0.1
477.13934	20.7
478.14282	0.3
535.75500	0.1
553.11725	0.1
615.05182	0.1
623.19598	0.4
636.56635	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	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10710	0.4
69.31681	3.4
98.20710	0.9
131.50502	0.4
197.07674	0.4
223.12157	0.6
226.53355	0.4
376.17148	0.6
377.17459	0.7
378.18173	0.7
387.16913	0.6
388.17822	0.6
389.18576	0.6
390.18530	0.7
391.19263	2.1
392.19958	2.6
393.20828	1.2
399.16241	0.6
400.16821	1.3
401.17462	1.2
402.19125	0.9
403.19656	0.6
404.20544	1.2
405.20996	2.8
406.21487	2.6
407.22314	9.3
413.17657	1.3
414.18481	1.6
415.19232	4.6
416.19815	0.9
417.20932	0.7
419.22464	1.4
420.22980	1.8
421.23886	11.5
422.24506	2.6
427.19205	1.6
428.19946	1.7
429.20905	9.6
430.21561	1.6
431.22910	0.8
433.19675	0.9
433.24170	1.5
442.21411	1.5
443.22629	5.3
444.23340	4.1
445.19913	1.9
446.21112	0.9
447.18030	1.4
448.26541	0.6
449.23138	0.8
455.18665	0.5
456.19162	1.1
457.23807	3.4
458.25012	5.6
459.21829	6.6
460.23053	2.0
461.19058	4.1
462.20602	2.0
463.21198	0.9
470.20996	1.4
471.22180	0.7
472.22580	5.9
473.23193	2.6
475.21045	6.3
476.21786	3.9
477.22537	2.7
478.23712	0.6
483.18164	0.7
484.18918	0.7
485.23495	12.5
486.20093	1.7
486.24243	2.5
487.20908	1.2
488.22281	1.5
489.22839	2.5
490.23953	0.5
493.26184	0.6
498.20453	0.6
499.21390	3.5
500.22275	2.2
502.23233	0.8
503.24478	7.1
504.24957	0.6
508.28171	1.1
513.22711	3.4
514.23981	1.4
515.24579	0.7
517.26257	6.8
521.25702	0.6
529.25958	1.5
531.23950	1.2
535.27295	5.2
545.25494	71.1
546.25970	1.8
549.24652	0.6
558.22742	0.6
562.25842	0.7
563.26538	1.0
564.27155	1.7
573.15948	0.9
573.25012	16.5
577.27924	0.9
591.26007	1.3
605.27618	75.7
606.27844	2.1
623.28668	100.0
624.29285	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	621.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83650	0.8
53.03936	2.8
55.01878	9.2
55.05517	10.0
57.03437	19.3
57.07079	24.9
61.99071	0.7
65.03938	4.1
65.33334	0.7
67.05508	50.3
69.03432	1.1
69.06728	0.9
69.07071	11.9
71.04984	2.9
71.08636	14.6
71.19152	1.8
76.93140	0.7
79.05500	24.0
81.03400	1.9
81.07058	27.8
82.07377	0.6
83.04974	2.4
83.08629	7.3
85.06549	10.9
85.10180	7.9
91.05486	24.4
93.06486	1.2
93.07048	19.8
95.04974	49.4
95.08613	21.0
95.09229	0.9
97.06518	3.7
97.10162	4.0
103.07636	0.8
105.07036	17.0
107.04964	8.7
107.08592	13.7
109.06523	58.0
109.10155	9.1
111.08091	2.2
113.06015	27.1
115.05441	1.0
116.06241	0.9
117.07034	9.8
119.04987	1.2
119.08581	8.2
121.06526	3.6
121.10129	5.1
123.08045	2.7
123.11675	2.3
125.09691	0.9
128.06187	2.0
129.06995	6.5
131.08574	13.4
133.06500	2.4
133.10121	6.4
135.08057	40.4
135.11674	7.5
137.09613	1.3
137.13290	1.3
141.06996	2.2
142.07790	1.7
143.08580	7.3
145.06528	1.2
145.10146	9.0
147.08083	4.5
147.11703	2.7
149.09613	5.0
149.13252	2.6
155.08630	1.1
157.10181	4.8
159.08096	2.1
159.11725	5.5
161.09607	6.8
161.13339	1.0
163.11133	2.8
169.10103	1.5
171.11774	2.6
173.13274	2.6
175.11198	2.2
177.12788	2.8
183.11736	2.4
185.13243	1.0
187.11201	1.3
195.13826	1.6
199.11224	1.4
199.14787	3.3
201.12759	1.6
205.12207	0.9
216.63496	0.7
217.15860	13.9
219.13803	1.0
227.17868	1.3
233.15382	2.3
237.16231	1.4
239.23666	1.9
245.19041	1.2
253.14316	1.6
255.17429	3.1
273.18506	36.5
291.19547	100.0
309.20920	1.8
313.27371	45.3
347.22208	9.0
365.23242	11.0
509.41116	5.1
545.41968	2.5
561.24701	1.5
585.45093	9.4
603.46167	39.4
621.27484	5.9
621.46313	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2706
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
54.62887	0.2
67.05437	0.6
82.66556	0.2
84.75725	0.2
87.04370	0.2
88.81289	0.2
91.05386	0.2
95.08553	0.3
102.47685	0.2
109.10068	0.2
136.17581	0.2
144.07927	0.2
166.74976	0.2
195.09116	0.3
197.10667	0.2
209.10727	0.2
210.11453	0.3
309.12152	0.2
310.13208	0.3
362.16412	0.3
374.15359	0.5
375.16144	0.8
376.17276	0.4
387.16165	0.7
388.16849	1.1
389.17581	2.5
390.18747	1.0
391.19238	0.7
401.18130	1.2
402.14267	0.2
402.18591	1.6
403.19394	3.6
404.20035	2.8
405.20886	1.6
413.17700	0.3
414.18475	0.3
415.19714	1.2
416.15939	0.6
416.20990	1.0
417.16852	1.7
417.20877	2.1
418.16638	0.3
418.22134	1.4
419.22516	4.4
420.22903	0.5
427.19434	0.3
428.19965	0.4
429.20789	0.8
430.16925	1.0
430.22168	0.6
431.17636	3.4
431.22849	1.7
432.18469	1.0
432.24170	0.3
433.19922	1.1
441.20712	0.3
443.18530	0.5
444.20038	0.2
445.20663	4.2
446.16397	0.2
446.21069	2.9
447.21881	5.7
455.22372	0.2
458.21115	0.4
459.17313	3.5
460.18918	1.0
461.19525	2.5
463.21338	0.4
473.18689	1.5
474.20416	7.5
475.21283	13.0
476.21722	0.7
477.22830	0.3
478.23251	0.3
478.30026	0.2
486.20364	0.4
487.21408	3.5
488.22299	0.9
491.25027	0.4
492.24939	0.5
492.37543	0.3
501.22983	2.8
502.23593	0.5
503.20731	0.4
504.21335	0.2
505.26648	1.4
509.36493	0.3
518.23212	0.8
519.20563	0.8
520.23920	0.2
529.22473	1.0
532.25055	0.4
533.25665	7.1
534.23358	0.3
546.22736	0.7
561.24976	33.3
562.25525	1.0
565.27899	0.3
589.24445	1.5
593.27747	0.8
621.27081	100.0
622.27411	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	621.3272
Annotation	withalongolide L
Peak:m/z	Relative Intensity
50.42684	2.1
53.03944	6.4
54.98921	2.1
55.01869	7.4
55.05517	35.8
57.03429	7.9
59.04994	4.4
61.02937	7.1
65.38160	2.0
67.05509	54.2
69.03429	28.3
69.07080	13.2
71.04994	6.7
73.02932	5.2
79.05502	41.9
81.03422	39.4
81.03852	2.8
81.07063	43.9
83.04993	11.8
83.08630	25.5
85.02911	16.0
85.06544	3.6
91.03984	3.1
91.05488	37.9
93.07048	28.5
95.05002	8.4
95.08619	16.2
97.02885	14.0
97.06566	4.6
97.10172	29.0
99.04487	7.4
103.05482	12.8
105.07047	23.5
107.04961	12.4
107.08617	24.5
108.75953	2.2
109.02929	9.4
109.06561	5.2
109.10163	20.6
111.04475	7.7
111.08095	3.2
114.68401	2.3
115.05484	7.1
117.07044	39.5
119.04980	3.1
119.08580	19.0
121.06558	5.1
121.10175	7.5
121.62917	2.1
123.04441	3.2
123.08134	5.0
125.09644	25.7
127.03953	11.6
128.06282	5.9
129.07001	25.5
129.35211	2.1
131.04959	5.8
131.08580	34.3
133.06549	11.1
133.10168	8.9
135.08107	8.8
135.11711	4.7
137.09674	2.3
141.06989	10.1
142.07822	2.2
143.08591	15.8
145.06551	11.7
145.10138	12.8
147.08121	8.5
147.11726	6.6
149.09688	4.4
149.13315	3.4
151.11186	2.2
153.06992	3.3
153.09143	5.1
154.07820	4.0
155.08585	15.3
156.09473	2.9
157.06532	6.3
157.10207	6.9
159.08105	6.3
159.11711	6.0
161.09653	3.3
163.11191	3.7
165.07065	2.6
167.08643	8.0
169.06445	2.5
169.10182	7.9
171.08102	5.2
171.10281	2.5
171.11742	7.4
173.04533	9.9
173.09659	5.2
173.11740	2.3
175.11279	2.5
179.08620	3.4
181.10228	6.3
183.08142	3.2
183.11810	5.8
185.13350	6.1
187.11259	3.5
187.14873	7.6
189.11273	14.6
189.12790	2.6
191.10646	2.3
193.10199	2.8
195.07970	2.9
195.11755	5.0
197.09782	2.6
197.13281	11.0
199.11282	6.0
205.10283	2.6
207.11832	2.7
209.11740	5.1
209.13484	3.1
213.12889	6.9
215.14316	43.5
217.12488	3.4
217.14468	3.2
221.13300	2.2
223.11322	3.5
225.12883	4.2
227.12724	18.3
229.14339	2.2
231.13840	4.5
237.12776	2.9
243.13885	7.0
249.14928	3.0
255.13858	4.1
269.15286	3.0
269.17761	2.7
271.17114	4.2
305.17868	3.2
323.16611	4.6
339.23254	4.8
349.21591	11.6
367.22748	24.3
385.23666	16.2
403.24915	7.8
424.28116	2.4
441.26398	76.6
459.27420	100.0
459.33807	5.1
477.28864	12.5
501.29047	3.9
529.28009	3.0
567.29565	4.3
585.30615	7.6
603.31775	11.4
621.32935	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	621.2711
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.03964	0.3
55.01865	0.3
55.05518	0.4
67.05506	1.0
69.07059	0.5
69.15422	1.7
69.15846	1.1
79.05499	1.1
81.03383	0.4
81.07046	1.0
83.08616	0.3
88.00285	0.3
91.05487	0.8
93.07050	0.6
95.04993	0.7
95.08637	0.6
105.07026	0.6
106.63183	0.3
107.08626	0.4
117.07043	0.3
119.08594	0.6
131.08578	0.6
135.08139	0.3
145.10114	0.4
147.11655	0.3
200.83775	0.2
209.10754	0.4
221.10730	0.3
224.13457	0.2
291.19434	0.3
323.13971	0.3
373.14670	0.3
374.15323	0.4
375.16193	0.8
387.16202	0.5
388.16870	0.8
389.17651	2.5
390.18491	0.8
391.19263	0.7
401.17691	1.4
402.14359	0.6
402.18701	1.2
403.15628	0.4
403.19458	4.3
404.20139	1.9
405.20789	2.4
415.19418	0.8
416.16275	1.0
416.20679	0.5
417.16168	3.7
417.21207	1.9
418.17780	0.9
418.22382	0.5
419.22485	6.6
420.23041	0.6
429.16678	0.5
429.21622	0.3
430.17883	1.1
430.22815	0.3
431.18149	6.7
431.23630	0.6
432.19165	2.3
433.20203	2.4
441.17438	0.3
443.18539	0.7
444.19421	0.4
445.20313	5.9
446.21045	6.7
447.21863	8.1
457.20767	0.3
459.17331	0.5
459.21790	2.2
460.18213	0.5
460.23596	0.5
461.19318	1.3
463.21594	0.4
473.19449	1.2
473.24002	1.1
474.20471	5.9
474.26624	0.4
475.21313	7.8
487.21307	2.9
488.22141	0.7
490.24115	0.3
491.21066	1.4
492.25711	0.3
501.23035	2.0
504.21796	0.3
505.27014	1.4
518.23456	0.5
519.20587	1.0
529.22437	0.5
533.25543	14.1
534.26245	0.4
561.25018	22.2
562.25635	0.8
565.28577	0.5
589.24493	1.1
593.27594	3.4
596.53925	0.3
621.27094	100.0
622.27350	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	621.2705
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
57.15738	0.2
68.97799	0.2
73.39257	0.2
76.14861	0.2
90.08364	0.2
101.42235	0.3
136.51678	0.3
157.09842	0.3
190.22026	0.2
209.10756	0.4
251.12222	0.3
311.14041	0.3
374.15228	0.5
375.16455	0.7
387.16177	0.8
388.17072	0.8
389.17667	1.9
390.18304	1.3
391.19183	0.3
401.18228	1.2
402.18600	0.8
403.15118	0.5
403.19470	3.4
404.20267	1.6
405.20746	2.2
415.19562	0.5
416.15674	0.5
416.20221	0.8
417.17044	2.8
417.21045	2.2
418.17511	0.7
418.21951	0.8
419.22400	5.3
420.23178	0.7
429.17090	0.4
430.18054	0.9
431.18210	6.0
432.18936	1.9
433.20004	1.5
443.18896	0.6
444.19653	0.7
445.15497	0.3
445.20215	4.8
446.21039	4.9
447.21802	7.5
458.21033	0.5
459.17661	0.8
459.22058	1.2
460.18201	0.4
461.19690	1.0
463.21783	0.4
473.18216	0.3
473.23514	1.2
474.20474	5.1
475.21289	6.3
477.22702	0.5
487.21457	2.7
488.21887	0.7
491.20209	1.2
501.23062	1.5
505.26178	0.8
519.20483	1.0
529.22675	0.5
533.25513	11.4
561.24988	19.6
589.24329	0.6
593.27563	3.8
621.27087	100.0
622.27277	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10093	0.3
64.27186	0.3
69.15657	2.0
69.16076	1.4
79.25970	0.4
140.74850	0.3
209.10510	0.4
211.12247	0.4
221.10733	0.5
374.15469	0.5
375.16052	1.1
386.16675	0.4
387.16162	0.7
388.16843	1.3
389.17606	3.9
390.18466	1.6
391.19046	0.8
401.17630	1.1
402.13943	0.4
402.18832	2.0
403.19452	6.2
404.20001	2.6
405.20688	2.1
415.14838	0.5
415.19745	0.6
416.16217	1.5
416.20609	0.7
417.16922	4.3
417.20947	3.2
418.17139	0.7
418.21719	1.0
419.22464	8.9
420.22760	0.5
429.16553	0.7
430.17847	1.5
430.22684	0.6
431.18176	8.9
431.23505	0.6
432.19257	3.6
433.19873	1.7
443.18591	0.5
444.19815	0.7
445.20160	8.1
446.20990	5.1
447.21817	10.8
448.22940	0.4
458.21130	0.5
459.17862	2.0
459.22290	1.8
460.17908	0.5
460.23206	0.5
461.19482	0.9
473.19449	1.2
473.23593	1.1
474.20404	10.1
475.21292	15.5
487.21405	4.2
488.21878	1.5
490.23654	0.5
501.23190	2.8
502.23553	0.8
505.25937	1.3
517.22339	0.5
518.23218	0.6
519.21069	0.5
529.22284	0.9
533.25549	11.5
546.22345	0.8
561.24994	72.0
562.25299	1.8
589.24664	2.3
593.27582	3.3
621.27112	100.0
622.27600	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	619.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93294	0.8
52.42996	0.7
55.01861	1.3
55.05513	3.8
57.03439	2.0
57.07072	2.6
66.53237	0.9
67.05512	8.8
69.07080	5.3
71.08648	0.9
74.09724	1.4
79.05505	2.2
81.03408	1.3
81.07063	8.5
83.08624	3.7
85.06541	0.9
87.04482	5.1
91.05473	2.9
93.07041	3.9
95.08624	5.3
97.10181	2.2
98.98484	1.7
105.07037	2.8
107.08596	3.0
109.06521	0.8
109.10164	4.8
111.08083	1.1
119.08615	2.6
120.48251	0.7
121.10114	1.1
123.11761	1.0
129.07007	0.8
131.08546	0.9
133.10107	1.8
135.11705	0.9
147.11711	1.4
155.01013	1.1
157.10278	1.3
159.08109	0.9
173.69701	0.8
193.12247	1.2
211.13373	3.6
258.11401	0.9
277.32773	1.0
283.15186	13.1
311.25891	1.4
313.27527	1.1
337.27274	0.8
339.17743	4.4
365.13455	1.4
507.40015	1.3
521.38605	1.7
601.44415	1.9
619.41833	100.0
620.42249	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	620.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.6
53.05791	1.0
55.01880	17.7
55.05516	12.0
57.03444	6.1
57.07074	1.8
61.02928	2.3
65.03941	2.4
67.05510	55.0
68.05853	1.5
69.03079	2.2
69.03436	36.3
69.07070	10.8
70.35925	1.1
71.04996	13.8
71.54768	1.7
73.02926	10.9
79.05063	2.2
79.05499	33.2
81.03425	41.9
81.07063	49.9
83.04983	4.8
83.08615	5.1
85.02914	15.6
85.06545	1.8
91.05488	21.3
93.07048	37.1
94.07389	1.3
95.04980	3.9
95.08615	42.4
96.08929	1.7
97.02285	2.5
97.02898	40.4
97.06528	3.3
97.10155	2.5
99.04464	66.6
99.08134	1.2
101.02361	2.5
105.07041	16.7
107.04916	1.5
107.08605	22.6
109.02890	41.1
109.06502	3.2
109.10164	22.8
111.04447	8.5
111.08083	2.6
113.06037	1.4
115.04003	1.5
117.07064	7.4
119.08593	13.1
121.10154	18.4
123.08088	2.0
123.11710	10.8
127.03927	100.0
129.05476	3.1
129.07036	2.0
131.08583	10.3
133.10130	10.4
135.08023	1.7
135.11697	14.8
137.13284	3.8
142.43440	1.0
143.08553	3.2
145.04964	18.7
145.10139	7.8
147.08025	1.4
147.11710	9.0
149.13292	9.6
150.76317	1.0
151.11165	1.5
157.10149	2.3
159.11714	7.7
161.13248	6.7
163.11130	1.9
163.14822	3.8
163.70810	1.3
171.11758	2.8
173.09680	1.3
173.13249	9.0
173.36594	1.2
175.14798	2.1
177.16423	1.7
180.08694	1.6
183.11778	1.3
185.09540	1.4
185.13281	2.6
187.14796	3.9
189.12750	1.2
199.14886	1.7
201.16370	2.1
207.13948	1.6
241.19461	1.9
243.21133	6.4
259.20660	7.9
261.22162	19.6
275.19785	1.3
277.21677	11.1
279.23187	5.0
303.23413	1.5
313.21597	1.6
315.23267	2.0
322.34879	1.2
331.55972	1.3
333.24448	1.2
341.24661	1.8
351.23257	1.4
357.24243	4.0
369.24286	6.8
387.25327	7.0
405.26395	11.2
423.27460	62.5
620.34662	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	617.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	15.0
57.03424	1.8
57.07084	21.4
57.56448	1.7
60.67161	1.8
65.03954	2.1
67.05514	21.3
69.07076	13.6
71.04989	2.1
71.08632	14.0
76.47651	1.8
79.05493	13.2
81.03429	27.2
81.07060	26.0
83.04964	2.7
83.08619	19.2
85.10169	6.9
89.69302	2.1
91.05494	15.0
93.07048	13.3
95.04976	10.3
95.08619	15.8
97.06522	3.8
97.10165	5.6
98.20806	5.6
102.25387	2.0
105.07080	9.5
107.04955	3.0
107.08620	11.4
109.06552	2.2
109.10165	10.1
110.03952	2.1
111.08091	3.1
113.00002	8.2
119.08597	10.3
121.10135	6.7
123.11648	4.0
129.07027	3.8
131.08580	6.7
133.10138	6.9
135.08020	3.0
135.11685	2.8
145.10136	3.3
147.11688	4.4
151.65001	2.1
157.10132	4.7
159.11597	2.7
163.11145	2.5
163.28238	2.6
169.02614	7.2
175.11255	2.0
193.12241	8.9
313.27325	2.6
384.76343	2.0
505.39011	100.0
617.33826	2.1
617.42908	11.2
648.19250	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	619.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70686	0.7
53.03937	1.9
55.01860	2.3
67.05499	0.8
69.03436	4.2
69.07055	0.8
71.04993	0.9
71.53745	0.8
71.54194	0.7
73.02926	1.0
77.91391	0.6
78.04704	2.0
79.05487	5.5
81.03430	4.6
81.07051	1.9
83.08639	0.6
84.08136	0.6
85.02908	10.0
86.06071	0.9
87.00824	2.6
88.80791	0.7
89.06034	2.3
91.03969	0.6
91.05499	3.6
93.07049	1.2
95.04968	1.3
95.08591	1.0
97.02905	4.4
99.04460	1.9
103.05482	2.6
105.01864	2.7
105.07053	5.8
106.04166	1.4
107.04969	12.0
107.08581	0.9
108.08160	0.6
109.02901	4.6
109.06544	0.8
115.05446	3.6
116.06220	0.7
116.10739	1.4
117.06988	1.0
118.04128	1.2
119.04920	0.7
119.08578	1.5
121.06532	1.5
121.10139	1.9
121.50187	0.7
122.03665	1.0
123.04449	4.8
124.05225	2.8
127.03922	7.7
128.06242	1.8
129.07016	5.8
131.04915	3.6
131.08559	1.4
132.05705	2.6
133.06502	4.4
135.04459	0.7
137.05992	4.9
141.07014	1.0
144.05713	0.8
145.04945	2.8
145.06500	1.5
145.10175	0.6
147.03058	0.7
147.04352	0.9
147.08098	4.0
149.06058	1.1
151.03929	1.3
152.04706	1.9
153.05490	2.1
155.04927	0.7
155.06044	0.8
159.02927	2.1
159.08089	5.1
160.05231	1.1
161.05968	8.7
161.09645	1.0
163.07582	1.1
167.07056	100.0
168.05727	0.8
171.08018	1.2
172.05231	2.0
175.06049	1.6
175.07562	26.5
176.04700	1.4
177.05452	1.5
177.09131	0.6
177.16428	2.9
177.18034	0.6
179.07014	1.1
184.05205	1.3
185.05972	0.8
187.07545	18.9
189.07022	1.2
189.09126	2.5
190.07829	1.2
191.07051	11.3
191.08571	1.0
193.08568	1.5
199.07596	8.4
201.05371	0.7
201.08948	0.7
202.07826	1.2
203.08609	3.3
205.06566	0.9
206.07288	2.2
207.08211	1.6
209.08122	2.7
212.16473	2.0
215.08603	1.6
217.06685	1.1
217.08713	2.1
218.07301	3.1
219.08061	2.4
220.08960	1.2
221.09711	4.2
223.07695	0.7
229.06555	0.8
231.05093	0.9
231.08057	2.4
232.08806	1.4
233.09602	3.4
234.06761	2.6
235.07579	1.9
237.08717	0.6
243.08061	1.3
244.08864	0.7
245.06084	0.7
246.06789	2.7
247.07581	1.7
248.08353	1.7
249.09164	5.4
250.09793	0.8
251.07071	1.4
251.10854	1.2
257.06091	1.2
259.07520	1.5
260.08340	2.2
261.09195	5.5
263.07034	2.2
263.10776	1.1
265.08514	1.0
266.09406	1.6
267.10318	1.0
270.16840	0.7
274.06259	1.7
275.06961	1.2
276.07822	0.9
277.05841	0.8
277.08572	5.1
278.09183	1.4
279.06818	0.8
279.10126	1.5
281.11755	7.0
288.17941	0.9
289.08633	5.1
290.09439	1.7
291.06699	1.4
291.10199	1.8
292.10818	0.8
293.11719	1.8
294.08774	1.7
295.09805	1.1
306.08862	2.0
307.09613	2.0
309.11169	6.7
310.11847	1.0
311.12653	1.0
321.11188	8.5
322.11893	1.7
323.09094	1.0
325.14264	0.9
326.11588	2.4
338.11407	1.2
341.13867	36.0
342.22903	0.8
351.12225	1.4
353.13889	26.6
365.13971	1.3
371.14957	1.9
374.21854	0.7
375.22079	0.8
389.13641	0.7
395.14380	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.4
55.01873	2.8
55.05267	1.8
55.05514	22.6
57.03202	1.2
57.03448	16.0
57.07067	5.1
59.41575	1.2
65.03940	1.8
67.05509	57.0
69.03442	1.4
69.07071	25.1
69.26836	10.7
71.04985	3.9
71.08627	2.1
74.54137	1.2
79.05504	25.5
81.03422	75.8
81.07061	59.9
83.04967	5.3
83.08150	1.8
83.08628	27.6
85.06542	3.1
85.10149	1.2
89.06025	4.0
91.05487	26.3
93.07050	22.9
95.04980	24.1
95.08611	37.2
97.02903	2.0
97.06536	4.1
97.10180	9.8
98.20776	1.9
99.08057	2.3
99.96402	1.2
102.88266	1.2
105.06376	2.2
105.07034	23.0
107.04947	6.0
107.08601	13.7
109.06511	3.9
109.10159	18.9
111.04442	1.2
111.08102	8.2
111.11697	1.1
113.09686	1.2
115.05468	1.8
117.06986	2.7
119.05035	1.5
119.08589	21.5
121.06489	3.2
121.10143	13.0
123.08092	3.6
123.11698	5.9
125.09652	3.6
128.06230	1.2
129.07030	8.6
131.08554	8.7
133.06497	1.8
133.08598	1.9
133.10146	8.2
135.08040	1.9
135.11736	6.5
137.09636	1.8
137.13242	2.0
142.07817	2.5
143.08548	3.5
145.10139	5.5
147.08073	3.6
147.11687	10.2
149.09624	5.5
149.13287	2.8
151.14819	1.3
153.12764	1.4
155.08481	1.7
157.10136	8.2
159.11786	1.7
161.13274	4.3
163.11189	2.1
163.14780	2.0
165.12737	1.6
169.10104	1.9
171.11642	1.5
173.09564	1.2
175.11198	8.9
180.36070	1.3
193.12260	19.7
195.11679	1.4
197.35036	1.4
211.13216	1.9
221.13449	1.9
227.12840	2.0
231.13788	1.6
234.01845	1.4
245.22655	2.9
249.14806	2.8
263.23712	4.6
267.15930	93.8
303.26855	1.4
337.27383	100.0
352.23889	2.7
384.22836	2.1
415.25195	2.2
435.26971	1.8
437.34061	2.3
455.35092	2.9
473.36215	4.7
476.29135	1.8
529.38947	86.0
547.40033	36.9
561.40845	2.0
614.39667	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	614.463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39481	1.7
53.03933	1.9
53.78547	1.6
55.05513	16.5
55.11206	1.9
57.03428	5.6
57.07082	9.6
57.84216	1.7
59.04995	2.2
65.03938	4.4
67.05512	60.2
68.68437	1.9
69.07077	15.4
71.04996	21.8
71.08630	5.4
71.53607	2.0
79.05499	30.7
81.03403	2.6
81.06589	3.6
81.07066	71.7
83.04983	4.6
83.08617	7.9
85.06535	4.1
87.04465	7.4
89.06040	100.0
91.05493	28.9
91.20556	2.2
93.07056	38.9
95.04944	3.2
95.08604	28.9
97.06525	5.9
97.10149	3.1
99.08121	2.2
105.07036	22.5
107.07066	3.5
107.08595	18.7
109.06499	3.0
109.10179	14.2
111.08160	1.9
115.80901	2.1
117.07014	5.8
119.08606	16.3
121.06490	2.2
121.10139	13.8
123.11707	8.6
129.06952	3.4
130.08640	2.8
131.07042	2.7
131.08562	12.8
133.08614	72.4
133.10110	13.4
135.08043	2.3
135.11676	8.0
143.08611	2.8
145.10097	10.0
147.11700	5.8
149.13269	8.6
157.10196	3.4
159.11700	8.3
161.13283	4.1
163.14670	2.4
169.10182	2.4
171.11737	4.0
173.13258	4.8
175.14737	3.2
177.11282	23.6
177.12721	3.9
183.13850	2.6
185.13237	3.8
187.14835	4.8
199.14760	1.9
201.16537	2.4
211.15001	2.1
221.13812	7.6
229.14366	3.4
243.21039	4.4
257.17432	3.8
261.22125	4.5
269.17493	3.0
283.17462	3.1
301.20071	13.2
317.24817	3.3
327.20053	2.6
335.25809	17.8
371.22662	3.9
415.25378	34.6
419.33252	2.7
429.33380	2.2
437.34091	6.5
485.36215	5.0
503.37378	47.5
511.37714	6.9
524.09796	1.9
529.38940	63.1
547.40057	3.6
561.41602	22.7
614.47162	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	614.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.2
55.01868	9.0
55.05515	36.5
57.03440	16.8
57.07075	4.8
65.03934	6.2
67.05509	76.8
69.03424	5.3
69.07076	22.8
70.06583	4.5
71.04991	9.6
71.08627	14.8
72.54274	2.0
77.03909	2.1
79.05497	66.1
81.03426	60.0
81.07060	80.5
83.04997	25.5
83.08628	30.0
85.02915	23.6
85.06562	4.0
91.05489	67.5
91.08706	2.4
93.07050	67.3
94.34182	1.9
95.04974	33.8
95.08614	38.7
97.02883	3.7
97.06545	14.8
97.10164	10.2
99.08113	13.9
105.03403	4.4
105.04510	2.2
105.07040	47.1
107.04964	9.3
107.08611	28.3
109.06515	6.8
109.10173	14.1
111.08099	14.3
111.20805	2.2
113.05997	3.5
115.05445	2.5
117.07037	13.0
119.08588	32.0
121.06550	2.2
121.10143	18.1
123.08102	6.6
123.11706	6.2
125.09667	10.5
128.06248	2.2
129.07036	16.3
131.08580	24.7
133.06532	2.8
133.10147	23.9
135.08051	3.2
135.11716	10.4
137.09608	4.8
139.11226	3.5
142.07814	3.9
145.10138	6.6
147.08104	3.6
147.11687	20.0
149.02376	3.4
149.06001	18.6
149.09637	8.3
149.13264	10.7
151.11174	24.8
157.10124	16.7
159.11717	9.0
161.13277	5.8
163.11189	13.9
163.14774	2.4
165.12820	3.1
171.11665	3.8
175.11188	11.1
177.12733	6.0
179.14326	10.4
187.14771	2.1
189.11218	3.0
193.04961	4.0
193.12262	42.9
195.13812	5.7
211.13300	65.3
227.12938	12.6
241.19769	2.2
259.20642	8.0
267.15994	21.4
269.17529	24.1
275.20175	2.8
277.21643	15.6
285.16965	49.3
285.78741	2.5
289.94901	2.0
297.07553	3.6
300.29004	4.9
341.10260	14.5
341.13773	2.3
351.25400	26.9
380.16156	2.3
383.24237	4.2
443.27869	2.4
455.26260	3.9
461.28922	23.8
463.30499	3.6
479.30084	100.0
529.82117	2.3
543.36700	9.2
561.37891	22.1
614.36841	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.8
57.07079	5.8
58.06592	1.5
60.04518	0.2
65.03933	0.8
67.05497	0.4
69.07048	0.4
69.87659	1.2
70.06596	15.1
71.08643	2.4
72.08166	0.3
73.17793	0.3
74.06088	0.4
81.07019	0.3
83.08624	0.3
84.08149	0.3
85.10178	0.5
88.07635	19.7
102.09187	15.1
102.78877	0.3
105.03385	0.5
109.10149	0.4
118.04085	0.3
120.79369	0.3
121.02843	0.4
122.92797	0.3
131.04918	0.5
147.04402	0.5
149.02351	35.6
151.33017	0.3
164.54187	0.3
175.03897	0.6
193.04974	45.4
206.19745	0.3
212.23686	0.5
219.06601	1.0
225.05479	0.9
256.26358	37.8
257.26804	0.4
269.04538	1.7
297.03967	2.2
313.07074	2.5
341.06552	9.2
347.27316	0.3
359.07614	6.0
385.09189	44.1
386.09799	0.5
415.67435	0.3
465.81992	0.3
596.32104	0.4
607.47919	0.3
614.33240	100.0
615.33618	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	614.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	10.5
53.61369	5.1
55.01846	9.4
55.05521	31.1
57.03424	16.2
57.07067	11.4
65.70793	4.7
67.05180	7.7
67.05506	91.3
69.03427	4.9
69.07072	29.1
70.06586	7.8
71.05006	5.2
71.08627	8.2
71.53893	7.5
79.05148	4.5
79.05499	51.5
81.03426	62.4
81.07058	88.1
83.04985	28.3
83.08613	30.0
85.02889	17.3
88.07610	5.9
91.05480	68.0
93.07047	68.8
95.04987	36.6
95.08609	41.8
97.06528	14.4
97.10172	9.2
99.08095	13.2
102.09119	5.8
105.07034	46.5
107.04948	10.7
107.08610	34.9
109.06510	11.0
109.10174	14.3
111.08083	17.0
117.06998	19.7
119.08598	39.1
121.06513	5.0
121.10165	28.9
123.08088	5.8
123.11714	5.3
125.09642	6.2
125.25594	4.9
129.06999	18.2
131.08569	17.7
133.10147	36.9
135.08041	10.2
135.11691	9.6
137.09612	8.9
143.08527	8.0
145.10130	8.8
147.11734	22.8
149.05981	22.3
149.09592	10.4
149.13263	6.9
151.11177	19.6
157.10098	17.9
159.11684	11.5
161.13144	10.6
163.11169	14.5
167.55701	4.8
171.70468	5.0
175.11171	11.9
177.12759	4.6
193.12268	45.1
195.13893	8.9
211.13339	58.8
227.12817	6.3
256.26413	15.4
259.20468	10.3
267.15869	31.9
269.17538	36.0
277.21640	13.7
285.16962	63.7
337.27521	8.0
341.10077	14.0
351.25226	16.8
429.66382	4.9
445.14313	5.2
461.28784	40.3
479.30048	100.0
543.37305	10.6
561.37555	15.9
614.37018	58.8
615.34912	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	613.4829
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.53334	0.7
53.03949	2.1
55.01873	1.8
55.05515	13.2
57.03452	3.7
57.07069	2.6
65.03957	1.4
67.05509	40.7
69.07075	13.7
71.05000	1.2
71.08642	3.4
71.12973	1.3
77.03945	1.3
79.05495	21.6
81.03418	1.1
81.07061	42.5
83.04993	2.3
83.08628	7.7
85.06540	1.7
91.05486	18.8
93.07052	24.8
95.04974	2.3
95.08613	33.6
97.06535	2.2
97.10181	5.1
99.08099	2.4
100.75456	0.6
104.48616	0.6
105.04548	0.8
105.07034	14.6
105.07693	1.1
107.08605	19.1
109.06509	0.9
109.10158	19.6
111.08104	1.0
113.09663	1.6
117.07041	6.8
119.08597	16.5
121.10153	14.5
123.08067	1.1
123.11709	6.2
125.09696	0.8
129.06987	2.9
131.08568	13.4
133.10139	13.2
135.11693	11.6
137.06029	0.9
137.09721	0.9
137.13290	1.9
141.06958	0.8
143.08559	3.7
145.10133	10.7
147.08130	0.8
147.11714	10.2
149.09628	0.7
149.13275	7.0
151.11223	2.3
151.14886	1.0
155.08595	1.4
157.10194	3.2
159.11699	9.5
161.13278	8.1
163.11183	1.7
163.14891	2.4
165.12807	1.1
169.10159	1.9
171.11728	4.9
173.13272	8.2
175.14806	4.0
177.12753	0.8
177.16426	1.5
179.14346	2.6
183.11746	2.0
185.13242	4.1
187.14844	4.8
189.16457	1.8
191.17950	0.7
197.13367	1.2
199.14917	2.5
201.16464	2.2
203.18021	1.6
205.19623	0.7
211.14952	1.3
213.16449	1.1
215.18086	1.2
217.19580	1.9
223.14935	0.9
225.16473	0.8
227.18097	1.0
229.19569	0.7
231.21104	1.1
237.16437	0.9
241.19608	2.4
243.21153	0.8
245.22723	1.1
253.19559	0.9
259.20630	6.3
261.22141	7.0
263.23868	0.8
275.20120	1.6
277.18164	1.7
277.21704	7.4
285.22180	1.5
287.23767	0.8
299.23718	1.5
315.23221	1.5
315.26636	0.8
317.24490	0.7
333.24384	4.3
335.25818	10.9
337.27417	7.5
347.26123	1.1
355.30042	1.0
365.27707	0.8
489.35797	1.7
503.36829	1.4
515.37030	0.7
517.38940	1.1
521.43231	2.9
529.38885	0.8
539.44690	2.5
543.40332	1.5
587.83044	0.8
595.47253	10.3
613.48291	100.0
614.48553	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	613.4828
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02381	0.6
53.03944	1.8
55.01865	1.2
55.05264	1.1
55.05515	14.5
57.03444	3.7
57.07079	3.5
65.03944	2.3
67.05510	43.9
69.07076	13.4
69.51469	0.6
71.04990	1.3
71.08632	3.7
79.05499	21.7
81.07060	46.2
83.04994	1.4
83.08631	8.2
85.06573	1.5
91.05482	19.8
93.07051	30.1
95.04980	2.1
95.08613	38.5
96.19273	0.8
97.06516	3.2
97.10165	4.0
99.08089	2.6
105.07037	19.1
107.08598	20.3
109.06541	1.3
109.10164	18.2
111.08080	1.2
111.11742	1.0
113.09759	0.8
115.05468	0.8
117.07014	6.3
119.08586	17.5
120.30540	0.7
121.10151	16.8
123.08140	0.9
123.11728	6.0
129.07018	2.2
131.08574	13.0
131.09525	0.8
133.10135	15.8
135.11710	11.4
137.09682	0.8
137.13329	3.1
139.11215	0.8
141.06996	1.0
143.08617	3.9
145.10115	13.6
145.11160	1.1
147.11702	11.8
149.09610	0.7
149.13254	7.4
151.11191	1.5
151.14897	0.9
155.08640	1.5
157.10112	5.1
159.11708	10.1
161.13274	8.0
163.11224	1.9
163.14812	3.5
165.12813	0.8
169.10158	1.9
171.11682	5.1
173.13274	7.5
175.14873	4.0
177.12825	0.9
177.16454	1.5
179.14357	4.8
183.11688	2.2
185.13260	3.7
187.14821	4.9
189.16441	1.9
195.11888	0.8
197.13345	1.5
199.14886	2.0
201.16444	3.2
203.18030	0.9
211.14754	0.7
213.16472	2.1
215.17960	1.5
217.19563	1.2
221.42114	0.6
222.10863	0.6
223.15033	0.9
227.18040	1.5
229.19508	1.4
231.21097	1.4
233.18745	0.7
241.19571	2.9
243.21164	1.8
247.20703	1.2
257.19031	1.1
259.20605	5.2
261.22171	7.5
263.23572	0.7
273.21982	0.9
275.20169	0.8
275.23849	0.8
277.21646	5.8
285.22162	0.9
295.22681	0.9
299.23792	1.0
309.24551	0.7
313.25436	0.9
315.26746	0.8
317.24707	0.7
333.24228	4.8
335.25797	11.4
337.27417	6.6
355.30240	1.1
361.27240	0.9
369.31552	0.9
443.35330	1.0
489.35663	1.2
503.36896	1.3
517.39551	0.7
521.43622	3.9
529.38525	1.3
531.40814	0.8
539.44464	2.4
543.40314	1.8
595.47278	10.0
613.48273	100.0
614.48547	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	613.483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43833	1.0
53.03941	2.8
54.31529	0.9
55.01878	1.6
55.05261	1.7
55.05513	18.5
57.03449	5.8
57.07089	4.9
65.03937	3.5
67.05508	52.6
69.07070	17.6
71.05002	2.0
71.08633	2.6
71.14116	2.3
79.05499	28.8
81.07059	46.3
83.04994	1.9
83.08622	12.4
85.06511	1.3
87.11602	1.1
91.05488	29.1
92.45451	1.0
93.07047	34.9
95.04980	3.6
95.08612	39.9
97.06541	2.8
97.10192	5.5
99.08067	1.5
103.05445	1.3
105.00336	1.0
105.04589	1.2
105.07035	32.9
107.08599	20.7
109.06524	1.6
109.10158	16.5
111.08089	2.1
111.11736	1.3
114.73642	1.1
115.05444	1.3
117.07019	9.7
118.03619	1.0
119.08583	30.2
121.10153	16.0
123.08103	1.1
123.11709	5.7
125.09644	2.4
129.07008	5.5
130.07805	1.0
131.07605	1.3
131.08575	20.3
133.10139	21.1
135.11711	9.0
137.09651	1.1
137.13252	2.5
141.06961	1.9
142.07829	1.3
143.08554	8.0
145.10133	21.7
147.11691	19.8
149.09679	1.3
149.13289	6.4
151.07562	1.7
151.11119	1.4
155.08594	2.0
157.10147	7.5
159.11688	13.6
161.13261	12.8
163.14847	3.9
169.10193	2.5
171.11694	8.1
173.13240	10.3
175.14815	6.1
177.16377	1.3
179.14351	1.3
183.11699	3.3
185.13261	4.9
187.14795	7.2
189.16403	1.6
191.10750	1.1
195.11697	1.0
197.13312	3.6
199.14859	2.8
201.16446	3.8
203.17999	1.4
209.13110	1.1
211.14825	1.6
213.16476	2.8
215.18025	1.3
223.14896	1.4
227.18211	1.3
229.19637	1.5
231.21162	1.8
241.19604	8.0
243.21010	2.0
245.22731	2.0
257.19058	3.1
257.22720	1.3
259.20563	18.2
261.22226	3.9
275.20123	2.0
315.23233	1.7
333.24243	10.5
335.25931	4.7
337.27411	19.4
339.28964	1.1
341.28787	1.1
356.79199	0.9
383.32977	1.4
423.33032	1.0
500.81290	1.2
501.36215	1.5
503.43033	1.1
521.43652	7.0
539.44537	3.7
595.47308	9.1
613.48248	100.0
614.48645	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
55.05506	4.0
56.53924	0.9
67.05509	7.1
69.07069	2.7
71.54350	1.0
79.05495	6.4
80.05833	1.1
81.03413	1.4
81.07072	6.9
83.04979	1.2
83.08624	1.5
91.05447	4.4
93.07039	6.3
95.04978	2.3
95.08627	5.6
96.08961	1.2
104.30327	0.9
105.07043	4.0
107.08605	4.4
107.19067	0.9
108.08915	1.1
109.06538	1.3
109.10172	1.8
117.07030	1.2
119.08610	2.8
121.10148	2.8
122.10497	1.0
129.07021	1.6
131.08623	1.9
133.10120	2.5
135.11714	3.9
136.12077	1.2
143.08549	1.6
145.10156	3.0
147.08054	1.1
149.09637	1.4
149.27365	0.9
159.11739	1.6
163.11218	3.7
173.13239	1.0
183.11713	1.2
209.10703	1.4
223.12263	1.2
225.14064	0.9
227.12877	4.6
228.13141	2.1
237.13957	1.0
245.50302	1.0
259.13290	1.1
283.15390	1.9
284.15790	1.4
288.15311	1.0
300.15268	1.1
314.56357	0.9
335.25751	2.7
336.26294	2.6
353.17722	1.1
366.19333	1.1
379.19232	1.2
391.19315	1.7
406.18085	1.1
407.22797	1.6
411.21848	1.6
421.20193	3.3
423.21783	1.6
425.19684	2.3
434.21555	1.2
435.22348	1.5
436.22736	3.3
437.23389	3.9
438.20755	1.0
439.21381	9.0
447.21973	1.3
449.23779	1.9
450.18350	1.2
450.24042	1.7
453.22937	1.8
460.22293	1.5
463.20471	1.7
463.25836	2.1
465.22986	2.2
469.22562	1.3
470.26596	1.1
473.23538	1.3
475.21362	3.2
478.28897	1.0
491.24390	3.1
511.23581	1.7
512.24060	2.7
513.28577	2.1
523.27106	17.7
524.26471	1.1
526.25909	5.7
537.24799	1.2
540.27112	1.1
541.28168	52.1
544.37323	2.8
551.26379	5.3
552.24988	3.5
567.25922	1.2
569.27563	12.8
595.25568	4.0
613.26581	100.0
614.27228	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	613.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14053	1.3
54.29879	1.1
55.05503	3.1
57.07076	1.9
57.18409	1.1
57.64987	1.0
67.05510	7.0
69.07068	2.0
70.06614	1.2
71.04996	1.2
71.08636	1.5
73.25990	1.4
79.05499	4.3
81.07058	6.1
82.07400	1.2
84.81191	1.1
91.05470	4.7
93.07063	3.7
95.05015	1.4
95.08627	4.9
105.07034	2.2
107.08576	1.8
109.06464	1.3
109.10156	2.4
115.75819	1.3
117.07016	2.4
118.06563	3.0
119.08584	2.1
125.00006	6.0
131.08565	1.1
132.08099	1.4
138.49300	1.1
144.08099	8.5
145.08415	3.4
145.10147	3.0
147.11659	1.6
158.09700	2.7
159.10028	1.1
162.09158	1.4
163.07675	1.2
171.11551	1.3
176.14381	14.2
177.14705	8.4
202.15926	61.5
203.16269	35.5
216.66092	1.3
220.16972	53.3
221.17322	34.5
236.13025	1.3
237.13849	1.7
239.66653	1.3
247.12680	1.6
290.09256	1.4
300.13617	38.5
301.13956	25.5
329.52444	1.1
333.20483	1.3
339.15894	1.6
352.18005	1.5
353.17615	3.4
354.19424	1.4
366.19125	2.3
367.19125	3.7
368.20407	1.3
376.17831	1.2
379.18973	1.8
381.16870	2.6
381.21088	2.8
382.17410	1.6
382.22015	1.7
383.22510	1.9
395.18533	2.1
395.22775	1.3
397.20175	3.5
409.20258	3.0
411.22299	6.6
412.22650	2.1
421.20331	2.3
422.21094	2.7
423.21716	4.6
425.19629	9.3
437.23779	2.4
438.20651	4.5
439.20953	5.9
440.22302	5.3
453.22852	3.6
454.23248	1.5
456.21356	2.6
467.24472	1.7
469.22461	3.2
481.21994	1.7
483.24518	12.2
484.24530	5.6
494.22882	1.3
495.23822	2.6
496.24756	2.0
497.21622	7.2
511.23410	3.4
512.23938	3.2
527.26514	13.3
569.27557	15.4
570.24701	9.3
571.25549	89.8
572.25861	1.6
595.39410	6.1
612.39954	2.0
613.26385	100.0
613.39594	41.6
614.26550	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	612.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.1
55.01878	3.0
55.05509	18.2
57.03444	16.0
57.07076	3.5
58.67279	1.9
60.52814	2.0
65.03925	2.9
67.05510	59.8
69.07079	11.8
71.02840	4.1
71.04994	3.9
79.05067	3.4
79.05500	43.4
81.03424	77.4
81.07060	62.6
83.04987	4.6
83.08630	20.6
85.27085	2.1
91.05486	31.0
93.07054	44.4
93.41663	2.1
95.04977	25.1
95.08612	38.9
97.06520	4.7
97.10170	5.5
97.88203	2.2
105.07044	29.3
107.04976	4.6
107.08608	24.3
109.06528	5.8
109.10175	20.8
111.08056	7.4
117.07011	9.4
119.08584	23.7
121.06521	3.1
121.10162	21.7
123.11687	6.2
125.09589	3.4
129.07030	10.5
131.08571	21.0
133.06451	2.5
133.10141	15.7
135.07994	2.1
135.11662	11.4
137.09633	5.1
142.07784	4.4
145.10132	10.5
147.08049	3.7
147.11700	17.0
149.09644	4.6
149.13245	6.1
152.44589	2.2
157.10144	11.0
159.11690	5.8
161.13283	6.1
163.14838	4.4
171.11717	2.7
173.13235	7.0
175.11208	7.8
175.61943	2.3
189.11195	4.5
189.16537	3.0
193.12253	19.4
211.13280	2.2
227.12776	3.9
243.21095	4.9
259.41617	2.3
261.22229	20.5
267.13040	4.7
267.15933	100.0
271.82288	2.0
301.25183	3.8
317.24808	4.3
335.25806	82.0
393.80884	2.1
433.82285	2.0
435.32465	4.3
453.33542	5.0
471.34818	3.8
514.74677	2.5
526.45953	2.3
526.54309	3.0
527.37354	56.2
534.24841	2.7
545.38403	28.6
594.26733	4.0
612.28229	15.0
612.47113	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	612.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.05509	14.4
57.03448	6.9
57.07055	4.5
57.30685	3.8
58.64790	3.3
59.05002	4.6
67.05509	64.2
69.07073	17.5
71.05004	27.5
71.08639	25.7
71.54552	5.2
74.04608	3.8
79.05503	56.2
81.03361	4.2
81.07060	82.9
83.04984	10.2
83.08624	15.0
85.06535	5.8
87.04479	6.2
87.65001	3.4
89.61034	3.8
91.05477	38.9
93.07044	62.1
95.04958	6.3
95.08619	38.1
97.06525	11.7
99.08103	16.4
105.07050	24.5
107.04974	4.2
107.08591	32.6
108.64619	3.5
109.06470	5.4
109.10155	14.4
111.08087	5.0
113.09623	4.1
117.07012	8.6
118.06563	4.6
119.08560	10.3
121.10162	25.5
123.11735	8.8
124.99989	7.2
131.08566	10.1
133.10141	25.0
135.11696	32.5
144.08081	13.7
147.11711	6.0
149.13303	17.1
151.11177	15.9
158.09657	3.8
159.11699	8.2
161.13216	7.0
163.11176	9.7
176.14365	18.5
177.12790	3.8
179.14319	61.5
187.13361	4.3
202.15923	100.0
220.16982	93.0
225.14905	6.3
249.19130	4.6
269.17456	9.7
277.21701	46.9
300.13599	64.0
301.20087	40.5
335.25775	4.4
351.25195	15.3
519.36847	41.0
533.38531	20.1
545.38330	74.9
565.90491	4.8
577.41034	82.6
594.39032	6.9
612.30206	5.1
612.39685	40.9
613.37030	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	612.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17768	2.7
51.72741	2.7
53.03941	3.7
55.01872	4.9
55.05515	21.0
57.03445	13.0
57.07063	4.7
60.77839	2.7
66.35678	2.5
67.05507	77.7
67.82368	2.3
69.07076	20.8
71.04996	30.3
71.53407	2.9
75.04452	2.6
79.05495	50.8
79.05963	3.3
79.81915	2.4
81.06587	4.7
81.07061	93.5
83.04977	9.2
83.08617	10.4
85.06538	8.1
91.05486	60.0
93.06483	3.8
93.07047	56.5
95.04961	9.4
95.08611	38.3
97.06539	6.6
99.08116	2.9
105.07030	68.3
107.08611	28.3
109.10155	15.6
117.07016	22.7
119.08582	34.9
121.10128	18.0
123.08070	2.5
123.11696	8.3
125.09666	3.6
128.06223	3.1
129.07014	5.9
131.08565	27.1
133.10139	48.2
135.11691	16.9
142.07776	3.0
143.08577	7.2
144.03862	2.8
145.10121	23.4
147.11674	25.5
149.09616	4.3
149.13243	10.1
151.11160	6.1
155.08583	3.4
157.10141	14.9
159.11699	20.8
161.13252	11.1
165.12756	2.7
169.10071	4.1
171.11713	10.3
173.13287	10.0
175.14778	4.3
183.11685	5.3
183.13860	4.7
185.13226	7.9
187.13364	6.0
187.14877	6.1
195.13718	3.1
199.14781	3.7
203.14383	3.0
231.21147	3.6
241.19525	10.4
243.15903	6.6
251.15532	3.0
257.17307	5.2
259.20670	27.8
261.13885	3.2
261.22073	2.8
267.15891	3.2
269.17566	7.9
275.20129	4.2
301.20139	31.6
313.31918	2.6
315.23166	8.8
333.24310	40.2
391.29892	3.0
409.31006	5.9
483.34610	10.4
501.35812	100.0
527.37354	40.5
533.38306	7.4
545.38373	5.5
559.40167	22.4
571.24567	3.0
585.26740	8.1
595.25378	8.4
612.26569	4.7
612.35455	5.5
612.45581	7.1
613.26605	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	612.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.7
55.05515	21.9
57.03437	9.4
62.02028	1.6
65.03948	3.5
66.58865	1.8
67.05508	48.1
69.03413	4.5
69.07073	16.8
71.05008	4.7
71.08305	2.1
71.08637	14.4
71.53487	2.2
71.53884	2.2
79.05503	49.9
81.03420	8.9
81.07066	51.0
83.04981	8.7
83.08633	15.6
85.06552	2.5
85.54835	1.8
87.04513	1.9
87.14878	1.9
91.05487	25.5
91.65222	2.0
93.07051	64.9
95.01337	4.8
95.04966	11.5
95.08063	3.3
95.08622	47.0
95.16107	2.1
97.02901	6.4
97.06525	6.1
97.10176	6.2
99.04442	4.7
99.08105	13.4
100.77853	1.8
105.07024	19.1
107.04966	12.9
107.08604	36.6
109.06545	3.2
109.10181	8.6
111.04467	2.1
111.06335	1.8
111.08094	4.3
113.09682	1.9
117.07024	18.7
119.08602	19.4
121.06525	6.3
121.10143	19.5
123.08080	2.7
123.11689	2.6
125.06015	3.1
125.09639	3.4
129.07033	4.5
131.08582	7.6
132.12231	1.7
133.10117	13.5
135.08081	3.9
135.11713	51.4
143.08603	2.6
145.10132	35.8
147.04422	13.7
147.11719	5.0
148.04739	2.8
149.09573	2.2
149.13245	6.3
151.11203	14.9
157.10133	2.3
159.11719	5.1
161.09679	2.4
161.13240	5.4
163.11201	62.9
163.14748	1.8
165.12794	3.5
171.11653	3.6
179.14368	4.2
181.12288	7.8
189.11250	2.7
209.11681	2.1
227.12799	100.0
241.19481	2.2
259.13318	10.8
259.20590	6.4
260.13675	7.8
267.15820	2.7
268.12155	2.1
269.17487	13.4
277.21622	12.8
283.15414	55.7
333.17181	3.2
334.17517	2.5
335.25699	5.0
336.26120	3.7
351.25336	35.1
369.26349	3.1
381.22842	2.2
453.24594	2.3
461.29269	3.2
467.66879	2.0
477.28500	72.4
559.36371	30.7
577.37079	5.5
581.73853	2.2
594.38721	3.1
611.75372	3.3
612.25854	3.2
612.74469	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	612.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.2
55.01863	8.7
55.05516	30.9
57.03427	19.3
57.68629	4.5
59.97916	5.0
60.76413	4.4
65.03952	6.1
67.05515	80.0
69.03445	7.3
69.07078	37.8
70.06593	7.8
71.04994	7.4
71.53735	5.5
79.05068	6.1
79.05501	81.0
81.03423	68.2
81.07062	90.4
83.04986	22.8
83.08617	36.4
85.02915	26.0
88.07616	8.8
91.05483	100.0
93.07055	81.1
95.04973	46.0
95.08617	43.5
97.06535	20.7
97.10169	14.1
99.08112	6.0
102.09168	5.3
105.07043	60.0
107.05004	21.7
107.08598	42.0
109.06510	12.2
109.10152	17.5
111.04446	4.7
111.08082	15.4
115.64664	4.6
117.07030	23.4
119.08587	41.8
121.06570	5.3
121.10152	28.6
123.08115	9.3
125.09638	9.3
129.06999	19.5
131.08591	27.4
133.10149	41.8
135.08014	9.3
135.11687	14.9
137.09596	8.8
143.08546	7.9
145.10101	25.1
147.04379	9.8
147.08064	7.3
147.11681	36.8
149.02319	5.5
149.09697	24.2
149.13309	15.1
157.10179	21.1
159.11676	22.5
161.09669	5.4
163.11244	21.3
165.12717	9.0
173.13286	5.1
175.11192	20.5
177.12848	5.1
189.11272	8.0
191.07033	22.1
193.05064	6.4
193.12247	51.0
195.13841	9.8
197.13304	4.5
211.13287	63.6
227.12793	14.7
239.18024	4.8
245.14534	4.4
255.16005	14.1
256.26413	13.7
257.19031	9.5
267.15872	33.6
269.17435	18.9
275.20062	36.2
285.16971	57.0
299.18564	9.2
300.18784	8.6
303.05029	5.3
316.18311	8.0
317.19769	22.0
318.19803	20.5
335.20648	6.6
336.20563	10.6
340.21167	7.6
349.23792	39.6
383.11270	17.9
447.27368	5.6
461.28922	19.9
465.28455	13.4
479.30035	70.2
505.39014	5.0
541.34918	13.7
559.36127	32.2
576.39679	8.0
612.35150	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	612.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10201	1.7
51.07860	1.9
51.82631	2.1
53.03938	5.7
53.21463	2.0
55.01861	6.4
55.05513	27.1
56.27972	1.9
56.47562	1.7
57.03440	13.3
57.07069	4.9
58.48689	1.9
65.03956	2.8
67.05511	65.9
68.56255	2.0
69.03418	4.6
69.07073	24.0
70.97771	4.7
71.04996	5.6
71.08633	7.7
73.02902	2.5
79.05499	63.9
81.03426	11.1
81.07067	65.0
83.04987	11.1
83.08618	20.0
85.06553	4.7
91.05478	34.4
93.07049	80.6
93.07638	4.3
95.01353	3.2
95.04986	14.5
95.08614	65.8
97.02879	5.6
97.06529	8.2
97.10188	6.1
99.04465	4.7
99.08096	6.8
105.04551	3.1
105.07033	27.2
106.07383	2.2
107.04977	12.6
107.08604	50.8
109.06517	3.3
109.10196	16.6
111.04459	2.7
111.08125	3.6
111.71251	2.1
117.07011	16.8
119.08594	23.8
121.06501	8.7
121.10145	29.8
123.08089	3.2
123.11742	4.3
125.06021	3.4
129.05525	2.8
129.07036	3.3
130.07832	2.5
131.08598	10.6
133.06523	2.5
133.10124	16.1
135.11696	54.4
137.09634	5.7
137.13225	3.0
142.62669	2.5
143.08598	3.6
145.10153	39.2
147.04456	8.1
147.11729	9.6
149.09590	5.1
149.13277	9.5
151.11189	5.8
157.10092	5.0
159.11691	5.4
161.13286	6.0
163.11189	64.8
163.14850	3.8
173.13159	3.4
179.14297	13.1
181.12253	14.6
185.08224	2.2
193.12288	3.0
195.13719	2.3
209.11694	3.2
227.10547	5.1
227.12801	100.0
228.13278	3.2
243.21046	5.0
253.14525	3.1
259.13226	5.5
260.13489	3.1
261.22186	9.7
267.16196	3.0
269.17456	2.4
275.20139	4.1
277.21603	8.0
281.17416	2.8
283.15396	46.5
285.16928	8.1
300.71359	2.8
317.25046	3.4
335.25836	44.2
349.23892	3.0
351.25345	8.1
439.21234	3.3
477.22000	3.0
477.28421	23.8
523.26874	4.9
541.28198	16.3
543.36774	29.3
549.25055	3.3
559.37201	3.0
569.27258	3.2
577.37268	5.1
612.28558	14.4
612.36761	2.8
612.46252	9.6
613.17035	3.8
613.26367	27.3
621.82214	2.6
634.67743	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.2
57.07052	1.5
67.05506	2.8
69.07055	1.0
71.08627	1.3
79.05469	2.0
81.03384	0.7
81.07052	2.6
85.10156	0.8
87.48980	0.5
91.05457	1.6
93.07031	2.3
95.08595	2.1
98.20720	1.1
98.98471	1.6
99.08089	0.7
105.07036	1.4
106.60087	0.5
107.08555	1.2
109.10112	1.0
117.55584	0.6
118.06566	4.1
119.08530	0.5
121.10138	0.9
125.00001	6.0
131.08499	0.7
132.08089	1.8
133.08897	0.8
133.10086	0.9
135.11627	0.6
144.08095	9.6
146.09639	1.5
158.09642	4.3
159.10403	1.5
162.09123	2.1
172.11229	3.2
173.11816	0.7
176.10759	1.6
176.14346	20.3
179.14378	0.8
187.13556	0.5
190.12251	0.9
202.15915	100.0
203.16162	0.5
220.16969	99.7
221.42165	0.6
300.13602	63.9
301.19919	0.7
374.17160	1.0
386.06015	0.6
545.38159	1.3
569.27551	0.8
570.24579	0.8
571.25391	6.4
577.41309	0.9
594.38995	6.2
612.40192	46.7
613.26727	6.6
613.37744	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01858	1.1
55.05265	1.2
55.05513	15.8
57.03449	6.1
57.07070	2.9
65.03944	2.6
67.05510	36.2
69.07067	12.8
70.78127	0.7
70.78458	1.5
71.04999	1.8
77.03934	1.0
79.05497	28.9
81.07061	39.4
83.05013	1.0
83.08620	6.7
85.06540	1.7
91.05489	28.5
93.07048	30.6
95.04984	2.3
95.08614	29.5
95.55579	0.9
97.06541	2.1
97.10171	2.1
99.08098	1.8
105.04497	1.1
105.07038	28.9
107.08607	18.0
109.10157	12.2
111.08095	1.3
115.05438	1.0
116.06237	1.2
117.07027	13.2
119.08591	24.5
121.09300	1.6
121.10139	16.7
123.08024	1.3
123.11734	4.8
125.09683	1.6
128.06203	1.7
129.07024	8.5
131.08578	19.0
131.09540	1.4
133.10130	18.8
133.11093	1.5
135.11710	10.7
137.09645	1.0
137.13278	1.3
141.07018	1.8
142.07782	1.4
143.08577	11.7
145.10130	19.9
147.11697	16.5
149.09666	1.3
149.13260	6.6
155.08545	5.2
155.17221	0.8
156.09283	1.2
157.10149	11.4
159.11700	14.4
161.13254	11.4
163.14868	2.6
167.08586	1.5
169.10129	6.5
171.11691	8.7
173.13283	9.8
175.14838	5.0
177.12798	1.0
179.08543	0.9
179.14313	0.9
181.10124	1.4
183.11719	5.3
185.13289	9.8
187.14815	5.1
189.16444	1.5
193.10330	0.9
195.11737	1.9
197.13312	3.8
199.14810	5.7
201.16458	2.8
209.13341	2.6
211.14903	2.8
213.16446	3.9
215.17981	1.7
217.19624	0.8
223.14827	1.1
225.16431	1.4
227.18031	1.2
229.19589	1.9
231.21194	2.1
237.16418	1.4
239.18080	2.2
241.19597	8.0
243.21117	1.5
251.18051	1.0
257.19040	3.9
259.20563	16.4
259.22986	1.1
261.22211	3.1
263.17911	0.9
277.21802	0.7
285.22293	1.0
297.22284	1.5
311.23718	1.7
315.23080	2.1
331.22833	1.4
333.24277	10.6
335.25861	18.5
337.27478	1.4
353.28464	1.0
388.96298	0.9
427.32492	0.8
449.34189	1.0
461.32822	1.0
463.35153	1.1
501.41464	0.9
519.42078	5.5
537.42975	3.3
541.38892	2.3
552.24255	0.9
593.45703	8.4
611.46735	100.0
612.46954	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.8
55.01873	1.2
55.05265	0.9
55.05515	11.5
57.03449	3.0
57.07082	2.6
65.03961	1.7
65.30453	0.6
67.05509	21.4
69.07075	10.0
71.02382	1.2
71.05004	1.1
71.08636	1.4
79.05499	13.5
79.05956	0.7
81.03426	0.6
81.07068	20.2
83.05000	1.4
83.08628	6.0
85.06574	1.0
88.07803	0.6
91.04972	0.5
91.05491	11.1
93.07055	13.1
93.31213	0.5
95.04993	1.2
95.08620	16.7
97.06536	2.0
97.10170	2.6
99.08151	0.9
103.05478	0.5
105.07041	13.5
107.08607	9.9
109.10172	7.5
111.08099	1.1
115.05441	1.1
117.07045	8.6
119.08597	13.2
121.10155	7.5
123.08076	1.3
123.11714	1.6
125.09652	1.6
128.06256	1.8
129.07011	9.1
129.07898	0.6
130.07851	0.9
131.08588	14.2
133.10144	7.5
133.68944	0.7
135.08078	0.6
135.11725	5.1
137.09674	0.8
137.13272	0.8
141.06996	2.9
142.07787	1.1
143.08571	10.5
143.09567	0.9
144.09375	0.8
145.10138	12.9
147.08078	0.6
147.11694	4.4
149.13280	2.4
155.08563	6.5
156.09357	0.9
157.10152	8.8
159.11717	8.7
161.13281	3.1
163.14848	1.7
167.08600	2.1
169.10138	6.7
171.11725	9.6
171.69485	0.5
173.13313	5.3
175.14844	2.5
177.16428	0.7
179.14397	1.1
180.09328	0.6
180.53079	0.6
181.10138	3.3
183.11729	5.9
185.11784	1.1
185.13242	5.2
187.14836	3.8
188.25563	0.5
189.16429	1.8
191.18001	0.8
195.11720	3.5
197.13289	5.2
199.14848	3.9
201.16370	3.1
205.19600	0.8
207.11574	0.6
209.13235	2.7
211.14792	2.8
213.16449	3.8
215.17989	2.5
221.13249	1.3
223.14848	2.5
225.16417	3.0
227.18002	2.4
229.19617	2.1
237.16365	1.1
239.17973	1.4
241.19617	2.2
243.21230	1.5
251.18016	1.2
253.19705	1.3
255.21117	1.5
257.19055	0.6
265.19492	1.0
267.21130	1.3
269.22681	0.6
275.20227	1.0
279.21051	0.8
281.22910	0.8
283.20572	1.2
297.22220	1.1
299.23914	0.6
307.24106	0.6
309.22202	0.7
311.23730	0.7
323.23907	0.7
325.25421	1.4
341.24722	0.6
353.24649	1.0
353.28595	1.0
367.26276	0.6
367.30307	0.7
393.31943	0.8
395.33511	0.7
423.32660	0.7
449.34189	0.9
456.51492	0.5
501.41000	1.7
519.42004	7.3
523.37952	0.7
537.43457	5.2
541.39282	0.8
575.44604	1.0
593.45654	9.6
611.46753	100.0
612.47046	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
55.01868	4.7
55.05516	18.6
57.03426	3.6
57.07073	2.6
57.76318	1.0
64.47412	1.0
65.03940	3.4
67.05511	49.5
69.06727	1.4
69.07072	16.8
69.16002	3.6
69.16421	6.7
71.05004	1.2
71.08617	1.9
79.05499	34.2
80.38440	1.0
81.03426	1.6
81.06581	2.3
81.07061	44.5
83.04987	3.2
83.08616	6.4
85.06549	2.6
91.05482	29.8
91.27575	0.9
93.06474	2.4
93.07048	32.7
95.04967	3.2
95.08613	34.6
97.06532	7.4
97.10184	3.3
99.08077	3.6
105.04534	1.7
105.07040	28.8
107.04975	3.3
107.08598	19.8
109.06554	2.5
109.10163	14.4
111.08103	2.1
113.09690	1.3
115.05475	1.4
117.07039	9.0
119.08590	21.5
121.06503	1.3
121.10159	12.9
123.11705	5.6
128.06296	1.3
129.06995	6.2
131.08569	14.2
133.10135	18.2
135.08076	1.5
135.11690	8.6
137.06027	1.6
137.13268	1.8
141.07039	1.3
143.08556	8.1
145.10130	14.0
147.08084	1.2
147.11707	12.8
149.09622	5.1
149.13274	4.7
151.11191	1.9
155.08568	2.6
157.10136	8.1
159.11705	12.0
161.13268	6.6
163.11201	3.8
163.14861	2.5
169.10191	5.1
171.11716	7.6
173.13255	8.2
175.14851	2.8
177.12805	1.9
179.14302	2.2
183.11752	4.2
185.13272	5.7
187.11423	1.0
187.14828	2.9
197.13290	3.0
199.14830	4.9
201.16461	1.1
205.15952	1.1
211.14845	1.9
213.16441	1.9
215.17899	1.9
225.16426	2.4
229.19502	1.7
239.18063	2.8
241.19572	5.0
253.19597	1.1
257.19119	4.4
259.20514	6.9
261.22235	1.7
275.20044	19.4
277.21405	2.7
293.21152	2.7
331.22610	1.8
333.24387	3.7
335.25854	9.2
337.27274	1.2
374.28842	1.0
499.38333	1.6
519.41998	2.5
541.39807	1.3
593.45953	5.7
611.46686	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
54.28944	0.6
55.01863	1.4
55.05272	1.1
55.05517	15.3
56.05842	0.7
57.03456	4.6
57.07074	2.4
65.03935	1.8
67.05509	36.0
68.05833	1.2
69.07073	11.9
69.16338	5.8
69.16743	0.9
71.04986	0.9
71.08632	0.7
77.03922	0.8
79.05499	25.5
81.03425	0.8
81.07062	30.5
82.07388	0.8
83.04983	0.9
83.08623	6.6
85.06541	1.3
91.05484	23.3
93.07047	26.8
94.07383	1.2
95.04987	2.5
95.08612	26.1
96.08935	1.2
97.06539	2.8
97.10162	4.3
99.08080	1.0
105.04508	1.1
105.07038	22.7
106.00032	0.6
106.07392	1.2
107.08599	17.6
108.08958	0.9
109.06553	1.1
109.10156	11.3
111.08094	1.6
112.89603	0.5
113.09717	0.9
115.05437	1.1
117.07028	11.4
119.08591	22.1
120.08932	1.0
121.10150	12.2
122.10351	0.7
123.08064	0.9
123.11723	3.1
125.09663	1.1
128.06264	1.3
129.07007	7.2
131.08578	17.5
133.10129	15.7
134.10472	0.7
135.11693	8.4
137.09641	1.1
137.13234	1.2
139.11295	0.8
141.07001	2.5
142.07761	1.4
143.08580	9.1
145.10138	17.6
147.08072	0.7
147.11700	12.7
148.12018	0.7
149.09674	1.0
149.13280	5.3
155.08540	4.0
157.10138	10.7
158.10593	1.1
159.11700	13.1
160.12164	1.1
161.13274	10.2
163.11275	0.9
163.14880	2.2
167.08585	2.1
169.10124	5.7
171.11693	10.6
172.12199	0.7
173.13280	9.1
175.14864	4.3
177.16464	1.1
181.10138	2.3
182.10452	0.7
183.11760	4.3
185.13274	7.6
187.14839	4.7
189.16440	1.2
195.11789	2.8
197.13297	3.5
199.14864	5.1
201.16437	2.7
203.18033	1.1
205.93643	0.6
209.13327	2.2
211.14842	3.1
213.16472	3.9
215.17999	1.7
217.42300	0.6
223.14799	1.7
225.16367	2.2
227.18037	1.9
229.19481	0.7
231.17332	0.7
231.21155	1.7
233.19078	0.8
235.14835	0.8
237.16492	1.5
239.17963	2.2
240.18372	0.6
241.19589	6.5
243.21107	1.5
257.19055	2.9
257.22665	0.7
259.20587	11.3
261.22220	1.8
271.20477	0.8
275.20166	0.8
315.23315	1.5
331.22720	0.7
333.24191	7.5
335.25858	10.8
337.27554	1.4
339.27182	1.2
353.28430	0.8
405.31644	0.9
449.33496	1.0
487.33997	0.6
489.36148	0.7
501.40781	1.2
519.42023	4.5
537.43121	3.0
541.38440	1.3
593.45532	7.6
608.33441	0.7
611.46613	100.0
612.46857	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01866	3.6
55.05515	7.9
57.03434	3.1
57.07071	4.6
61.02919	2.4
64.00929	0.9
65.03956	1.6
67.05171	1.6
67.05508	16.7
69.03432	14.1
69.07072	25.8
69.08127	0.9
69.35186	5.9
69.35595	1.9
71.04981	3.7
71.08636	2.0
73.02901	2.1
79.05500	11.3
79.86102	0.9
81.03423	8.4
81.07063	100.0
83.08631	6.0
84.53725	0.9
85.02428	1.9
85.02911	26.3
85.06546	15.9
87.00829	11.2
91.05480	4.0
93.07048	18.5
95.04977	3.0
95.08611	47.1
97.02892	11.7
97.06545	5.6
97.10189	5.2
98.21542	1.7
99.04453	3.8
99.08104	39.1
105.01875	9.4
105.07024	7.5
107.08614	13.1
109.02885	8.9
109.06540	1.0
109.10162	38.5
111.04466	1.5
111.08105	5.3
111.11705	9.1
113.09657	3.2
115.03947	1.6
117.01894	1.9
117.07092	1.3
117.41270	1.0
119.08559	5.1
120.07098	0.9
121.06515	1.4
121.10149	10.5
123.04404	2.5
123.08045	1.6
123.11716	21.8
124.12045	1.0
125.09613	1.6
125.13254	1.3
127.02999	1.3
127.03927	21.9
127.11176	11.9
129.01813	1.0
131.04839	1.7
131.08565	1.5
133.10126	3.7
135.11697	11.3
137.05943	1.8
137.13261	22.2
139.03879	2.3
139.11163	2.6
145.04938	7.5
145.10161	2.4
147.04405	1.2
147.08029	1.7
147.11678	4.6
149.13274	18.3
151.03876	1.2
151.07671	1.0
151.11095	1.2
151.14899	1.5
153.12798	1.7
155.14328	11.0
159.02873	3.4
159.11713	2.7
161.13245	3.8
163.14874	5.2
165.05560	0.9
165.12787	1.3
167.07043	4.1
167.14316	1.8
173.13264	1.4
173.15405	3.4
175.14777	1.6
177.16426	2.7
189.16441	1.3
191.17961	1.5
199.14798	1.4
203.17976	2.8
205.19527	11.3
213.03932	1.1
217.19473	1.9
223.20573	30.0
231.04994	3.8
235.20621	2.1
241.19357	2.1
241.21634	19.8
241.23912	1.9
247.24251	1.2
249.06094	1.6
253.21587	1.5
263.16287	1.4
273.25748	3.8
285.07611	2.4
286.07938	2.7
287.05307	1.3
287.08292	1.8
289.21661	2.4
291.26807	11.7
297.27679	2.9
299.27847	1.0
301.07126	1.3
302.07242	1.3
303.04993	3.2
303.07916	1.3
309.27930	11.2
313.21640	2.7
327.28876	5.4
331.22668	3.5
345.30157	1.8
349.23779	1.6
367.24945	1.2
385.18573	1.4
403.19284	1.2
409.25867	1.2
417.22595	1.8
435.23840	4.9
453.24689	2.7
471.26031	3.3
498.74124	1.0
544.38489	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
55.01868	4.5
55.02119	2.0
55.05518	12.8
57.03426	4.8
57.07067	7.9
59.05008	3.3
67.05515	19.6
69.03434	12.9
69.06737	3.6
69.07076	54.7
70.06564	2.1
70.10798	9.0
71.04984	4.2
71.08617	4.4
79.05499	14.2
80.00617	2.1
81.03403	8.7
81.07061	100.0
83.08617	18.6
85.02917	25.6
85.06538	10.3
87.00847	10.2
91.05461	4.2
93.07053	30.6
93.07992	2.0
95.04983	4.2
95.08614	70.1
97.02917	9.9
97.06513	7.4
97.10162	5.2
99.04438	4.8
99.08114	4.9
105.01868	8.9
105.07027	7.6
107.08614	29.9
109.02879	11.2
109.10156	26.6
110.91374	2.0
111.08086	14.1
111.11725	15.2
119.08607	10.1
121.10167	18.5
123.04481	2.1
123.11716	29.5
125.13280	3.2
127.03935	16.8
127.11169	4.6
133.10136	5.9
135.11671	10.6
137.13269	33.0
139.11266	2.5
145.04942	2.9
147.11743	3.0
149.13269	24.2
151.14838	4.4
153.12756	20.6
155.14349	14.2
159.02846	3.2
161.13286	2.9
163.14803	9.4
167.06943	2.7
167.14285	3.4
171.13770	5.3
213.03699	2.0
217.19472	4.3
225.04434	2.3
231.04977	4.9
239.23718	3.1
273.25754	4.4
279.26749	6.4
285.07620	7.2
286.07852	5.1
287.05334	2.6
287.08203	3.4
291.26834	24.6
297.27853	5.7
301.07080	4.1
302.07385	4.3
303.07791	4.0
309.27908	46.7
315.28790	3.4
327.28906	14.0
345.29956	14.2
417.29474	2.3
502.52948	2.4
513.33673	3.3
521.30524	2.9
539.32532	2.8
582.05481	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	611.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.6
53.03939	1.7
55.01862	2.2
57.03419	1.9
61.02927	1.5
65.47143	0.6
67.05489	2.0
68.99809	0.8
69.03439	6.2
69.39146	5.5
70.39343	0.7
71.04988	1.9
73.02899	2.2
79.05507	1.3
81.03420	4.6
81.07047	2.6
83.04993	0.8
83.08620	0.8
84.04487	0.7
85.02908	14.3
87.00839	7.5
91.05491	2.4
93.07028	1.3
94.04189	1.5
95.04958	2.4
97.02908	7.2
98.20677	1.5
99.04457	2.8
103.05477	4.6
105.01855	4.7
105.07040	2.9
107.04991	0.9
109.02896	5.0
109.06436	1.5
111.04449	1.4
115.05473	1.2
117.07037	1.4
119.04981	1.1
121.06500	3.1
122.03668	4.5
127.03928	8.7
128.06235	0.7
129.01881	0.8
129.06960	1.4
131.04018	1.2
131.04926	9.5
133.06494	16.4
135.08026	4.8
137.05983	100.0
143.08554	1.4
145.04988	3.8
145.06476	2.8
145.09969	0.7
147.08049	1.5
149.06006	1.4
151.07555	8.0
153.01833	1.0
157.06528	1.8
159.02921	1.5
160.05280	0.9
161.05986	2.3
163.07552	24.6
167.07220	0.7
169.06560	1.1
171.08087	1.6
175.07536	3.9
177.09016	1.4
181.08603	1.2
187.07515	1.7
189.09102	4.5
197.04448	1.0
197.06075	0.9
201.09117	1.3
203.10623	4.6
211.07176	0.7
219.10211	1.0
229.08466	1.5
231.04979	1.2
235.11305	0.7
239.40564	0.6
243.15927	2.1
247.09685	1.5
263.10785	1.7
269.17438	1.4
281.84949	0.6
287.05542	13.1
295.13281	13.4
302.04227	0.8
303.04947	6.2
317.06613	5.9
325.14575	0.7
327.15915	18.4
345.17184	0.9
351.15924	3.7
369.16953	1.3
393.17050	1.3
411.18042	1.8
417.17160	0.7
431.22699	2.8
435.17862	2.3
449.11078	1.0
453.19125	1.4
466.57767	0.7
580.68799	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1609
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03947	0.2
56.95482	0.2
57.03443	1.5
61.02908	0.7
64.18006	0.2
67.04998	0.2
67.35585	0.2
68.99818	0.2
69.03428	0.9
70.58155	0.5
71.01377	0.3
71.04997	9.5
73.02901	0.4
75.04478	0.2
81.03412	0.7
83.04976	0.4
85.02909	13.5
87.04482	0.3
91.03955	0.3
97.02902	1.0
109.02885	0.7
111.00805	0.7
111.04440	0.3
121.02863	0.6
123.04395	0.2
127.03907	0.6
129.05492	2.9
137.02339	2.3
137.06007	0.5
145.04974	0.7
147.06532	1.0
149.02327	0.3
153.01834	2.5
155.04901	0.2
163.03929	0.4
163.11171	0.2
165.01830	1.4
166.02637	0.3
183.02928	0.5
187.03973	0.3
201.05453	1.0
219.56310	0.2
229.04988	3.3
247.05954	0.6
257.04437	2.1
271.06024	1.9
272.06271	1.4
273.06635	1.3
274.04712	0.6
275.05533	0.2
285.03897	1.0
303.04999	100.0
304.05182	0.9
317.06464	0.4
465.10364	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.161
Annotation	Rutine
Peak:m/z	Relative Intensity
52.31095	0.1
56.44989	0.1
57.03441	0.5
64.67044	0.1
67.01857	0.3
68.99780	0.2
70.82453	0.2
71.04998	3.3
73.02911	0.1
75.04440	0.2
75.04844	0.1
78.37376	0.1
85.02911	4.6
87.04479	0.1
99.04439	0.1
100.48009	0.1
111.00796	0.1
111.04420	0.1
129.05486	1.2
133.02847	0.2
142.15402	0.1
147.06470	0.2
151.03912	1.0
153.01834	3.5
171.02934	0.2
177.01797	0.3
195.02840	0.2
201.05489	0.1
203.03418	0.3
219.02913	0.1
229.05025	0.3
235.05919	0.1
257.04416	1.1
273.06592	0.1
285.04019	0.7
287.05606	0.5
303.05002	100.0
304.05325	1.2
378.50015	0.1
438.67023	0.1
465.10324	17.6
466.10693	0.3
469.61057	0.1
611.16205	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1401
Annotation	Gallocatechin-(4alpha->6)-gallocatechin
Peak:m/z	Relative Intensity
53.00320	0.7
55.01881	1.1
57.44780	0.5
65.03947	0.9
67.01895	0.5
68.99789	5.9
69.54646	3.6
73.65603	0.5
79.05526	0.5
81.03415	2.9
85.02915	0.6
93.03413	0.8
95.04971	1.4
99.04456	1.0
105.03392	1.1
107.04980	0.9
109.02896	4.1
111.00822	6.1
111.04453	1.2
115.05456	0.6
116.97907	0.5
119.04977	1.0
121.02885	2.0
123.04443	9.8
127.03929	84.6
133.02849	3.1
135.04395	2.8
137.05957	0.6
139.03914	100.0
147.04425	6.0
149.02345	1.8
149.05978	0.9
151.03922	29.7
153.01863	0.9
154.63797	0.6
155.03407	1.6
157.06476	0.8
159.04431	1.7
161.06021	1.8
163.03915	8.4
165.05493	2.5
167.03436	4.3
169.04990	1.8
169.06381	0.6
171.04402	1.3
173.05968	0.9
175.03929	12.5
177.05496	4.8
179.03413	34.1
181.04974	3.5
183.04472	0.6
185.06015	1.5
187.03976	0.9
189.05496	3.3
191.03406	12.5
193.04961	3.9
197.06068	0.6
199.03963	2.8
201.05516	5.1
203.03426	18.1
205.04993	2.5
211.03816	0.8
213.05498	5.4
215.03351	1.5
217.05006	4.1
219.01787	0.6
219.06557	1.1
221.04349	1.0
225.05495	0.6
227.03358	0.8
229.05028	4.4
231.06493	3.2
233.04483	6.7
241.05067	2.7
245.04495	13.4
247.05998	1.5
251.05341	1.1
253.04904	1.2
257.04456	15.6
258.05176	1.0
259.05994	3.3
263.05542	19.4
269.04514	3.2
271.06122	3.3
275.02603	1.0
275.05527	19.4
283.05969	0.6
287.05527	43.1
289.07230	2.9
299.05515	17.9
301.07126	0.8
305.03204	0.6
305.06601	12.5
307.08170	10.0
311.05624	0.8
317.06595	23.1
319.08151	1.2
339.08798	0.6
407.07242	1.6
415.09366	0.7
425.08701	23.0
443.09769	19.7
467.09384	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	611.1398
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
53.00284	1.1
55.01871	1.1
65.03928	1.4
68.99785	5.3
69.63866	2.4
69.64274	2.4
71.04996	0.9
74.87989	0.7
77.03904	0.7
79.05480	2.1
81.03398	3.4
83.37823	0.7
85.02902	2.9
91.05480	1.4
95.04965	2.4
97.02872	1.0
103.03885	0.7
103.05449	2.1
105.07028	5.6
107.04922	2.6
109.02877	4.1
111.00819	4.9
111.04415	1.5
115.05442	2.1
115.53474	0.7
119.04909	1.8
121.02853	2.7
123.04431	11.5
124.07586	4.1
125.07901	1.2
127.03919	82.2
130.04996	0.9
130.06467	1.0
131.04895	1.1
133.02821	3.1
133.06473	4.0
135.04411	3.7
139.03905	100.0
147.04416	10.1
149.02370	2.2
151.03899	27.2
153.01807	1.3
153.05444	1.9
155.03391	1.7
155.04767	0.8
157.06522	0.9
159.04398	2.3
161.05989	7.2
163.03900	11.8
165.05452	2.0
169.06354	1.0
171.04381	1.9
173.06049	1.0
175.03911	15.4
177.05461	5.6
179.03400	37.1
180.03716	0.8
181.04965	6.1
185.05930	1.6
187.03975	1.4
189.05414	3.9
191.03394	8.4
193.04956	5.5
193.08577	1.8
195.06544	1.4
197.05850	0.9
198.41927	0.8
199.03909	2.4
201.05435	3.4
203.03386	24.6
203.07265	0.8
205.04965	1.6
213.05478	5.0
215.03412	1.3
217.04945	6.0
219.06540	1.4
221.04424	1.0
228.36481	0.8
229.04953	4.2
231.06485	3.1
233.04460	2.4
241.04918	4.4
245.04463	15.7
249.59332	0.8
257.04456	17.8
258.05130	2.1
259.05893	3.7
263.05499	9.3
269.04535	4.6
271.05927	3.8
273.07166	0.9
275.05493	17.1
281.04358	1.5
287.05496	70.6
289.07059	3.5
299.05502	16.2
303.04926	2.9
305.06561	9.5
307.08069	7.5
311.05600	1.9
317.06580	13.7
319.08127	1.8
407.07495	2.0
425.08685	29.0
437.08572	2.5
443.09802	9.9
449.09494	2.5
449.19638	1.0
455.09656	3.3
467.09720	6.3
485.10791	1.1
611.14563	1.4
611.24048	7.5
617.16089	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.7
55.01879	6.3
55.05515	32.5
57.03439	8.7
57.07068	8.6
65.03935	5.4
65.24548	3.9
66.39127	3.7
67.05176	6.6
67.05509	85.3
69.07079	28.9
71.04977	3.8
71.52708	3.8
71.53136	5.0
77.65317	3.5
79.05496	100.0
81.03417	10.5
81.07066	90.8
83.04980	14.9
83.08614	10.8
85.06535	4.3
86.88739	3.9
91.05479	74.6
91.41586	3.8
92.05846	4.7
93.07049	92.3
94.07362	6.3
95.04985	19.2
95.08617	62.9
97.06539	10.9
97.10125	5.9
99.08105	12.1
105.04520	7.0
105.07044	51.4
106.07352	5.7
107.04949	8.7
107.08604	46.7
109.06521	5.2
109.10168	17.2
111.08107	5.7
117.07029	18.5
118.06604	4.7
119.08581	31.8
120.66656	4.1
121.10162	19.2
123.08059	4.3
123.11733	5.8
128.06271	4.9
129.07014	19.2
130.07387	4.2
131.01585	3.8
131.08621	22.6
132.08919	4.4
133.10141	26.0
135.08130	6.4
135.11676	16.5
143.08537	15.0
145.10109	18.4
147.08012	5.3
147.11671	38.6
149.13229	8.9
151.11124	4.8
155.08572	5.1
157.10152	8.1
159.11714	11.8
160.12044	5.2
161.09583	5.5
161.13251	17.4
163.11142	7.8
169.10110	5.5
171.11714	23.8
173.13316	7.4
183.11713	6.0
185.13335	4.8
187.31549	3.8
189.12865	5.6
207.13789	21.2
243.21132	7.4
261.22150	11.6
275.19949	9.1
276.20459	10.6
277.21585	7.9
279.15958	4.8
281.17493	34.1
296.10263	3.7
330.99414	4.0
335.25827	19.2
351.25409	3.7
434.16467	6.8
448.18280	5.9
449.19250	4.9
462.20370	4.8
463.20749	5.6
464.21744	9.3
475.30740	29.7
522.26129	4.6
541.38940	35.0
550.25183	24.0
610.27527	94.9
610.45410	73.0
611.27448	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	610.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	2.0
53.03935	7.9
55.01865	6.8
55.05272	2.8
55.05515	34.7
57.03441	10.2
57.07077	4.0
65.03951	4.6
67.05508	86.9
68.05830	2.9
69.07078	26.9
71.04986	4.7
71.08637	21.5
71.17870	3.5
73.02905	2.1
79.05497	100.0
80.05821	5.5
81.03417	14.0
81.07061	96.2
82.07363	5.5
83.04985	24.0
83.08614	19.6
84.39079	2.0
85.06529	5.0
91.05479	71.2
92.05790	2.4
93.07045	99.5
94.07353	3.7
95.04977	26.4
95.08613	52.1
96.08933	3.0
97.06525	14.3
97.10170	6.7
99.08099	15.8
101.53389	1.9
103.05544	2.4
105.04515	3.4
105.07041	57.3
106.07380	4.0
107.04958	9.5
107.05635	2.0
107.08599	41.8
108.08939	3.8
109.06530	13.0
109.10171	15.2
111.04408	2.3
111.08100	5.0
111.16766	1.9
115.05495	3.3
117.07026	18.2
119.08595	34.7
120.08929	3.0
121.06483	3.2
121.10139	20.4
123.08060	7.7
123.11733	2.9
125.09663	4.6
128.06123	2.5
129.07004	20.5
131.08562	20.0
133.10144	24.4
135.08063	5.0
135.11696	15.1
141.07030	2.5
142.07687	1.7
143.08574	11.8
145.10135	24.7
146.10501	2.4
147.08005	2.3
147.11702	37.6
149.09702	5.7
149.13269	10.8
151.11183	21.4
155.08548	4.3
157.10107	5.0
159.11713	8.7
159.53693	1.8
161.09584	5.2
161.13286	15.8
163.11183	22.2
163.14821	2.0
169.08615	2.1
169.10115	4.9
171.11687	30.7
173.13162	2.9
174.13637	2.3
175.14847	2.9
177.12679	3.3
179.14323	9.5
184.12093	2.0
189.12746	5.3
195.13802	3.7
207.13826	28.1
227.12822	12.3
236.97716	2.2
241.19566	5.0
257.18884	2.7
258.19312	2.0
259.20523	8.2
269.17526	11.6
273.11130	1.8
275.20056	13.0
276.20319	9.1
277.21646	22.9
281.17487	59.1
283.15448	4.0
291.41809	2.0
295.22748	3.6
298.91187	2.1
333.24484	3.4
340.23169	2.0
349.23804	3.2
351.25372	18.9
355.06912	2.7
379.24734	2.3
447.30978	2.2
457.29916	2.6
459.31573	3.5
475.30576	98.0
476.30838	2.7
518.40466	3.3
557.38464	32.0
575.38873	2.4
593.74567	2.1
610.29236	2.9
610.45630	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	610.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.8
55.01876	9.5
55.05266	3.2
55.05516	32.5
57.03442	11.3
57.07091	2.3
65.03943	4.4
67.05511	61.0
68.05843	3.4
68.72286	2.2
69.03442	4.3
69.07074	35.5
71.05006	6.4
71.08625	7.2
73.02917	1.9
75.24004	2.0
75.96764	2.3
79.05500	66.7
80.05849	5.0
81.03420	13.5
81.07062	68.5
82.07401	5.5
83.04996	10.6
83.08617	16.8
85.02912	3.5
85.06547	5.1
91.05485	50.5
93.07050	76.2
93.07639	4.3
94.07386	4.2
95.04967	18.0
95.08610	60.6
96.08952	4.7
97.02916	3.2
97.06540	9.3
97.10178	5.7
98.95855	2.4
99.04478	4.9
99.08127	4.5
105.04572	2.3
105.07043	39.4
106.07377	4.6
107.04951	13.5
107.08604	48.6
108.08925	2.3
109.06557	5.2
109.10157	16.7
110.10522	3.0
111.04468	6.9
111.08094	6.3
117.07023	20.1
119.08591	35.2
120.08910	4.3
121.06544	11.6
121.10147	23.3
122.10588	2.4
123.08058	5.1
123.11732	4.6
125.06015	3.3
125.09658	6.7
128.06252	3.9
129.06993	9.4
131.08594	24.1
133.10147	29.1
134.10498	3.2
135.08102	5.8
135.11703	46.3
136.12074	2.2
137.09682	2.0
141.07043	5.7
143.08582	11.7
144.08932	2.7
145.10127	42.1
146.10478	3.2
147.11700	17.0
148.12016	2.0
149.09633	8.1
149.13310	6.5
151.11160	4.8
153.12730	3.3
155.08556	10.2
157.10167	12.1
158.10542	6.4
159.11703	9.6
161.09601	2.7
161.13235	12.1
163.11191	60.3
167.08597	2.5
168.08934	2.3
169.10184	10.9
170.10559	3.7
171.11668	12.9
172.12074	4.9
173.13339	5.0
174.13673	1.9
175.11301	3.2
175.14937	2.6
175.16956	2.2
177.12764	2.5
179.14308	4.9
181.10054	4.7
181.12267	15.3
182.10541	2.4
183.11728	9.3
184.12042	4.0
185.13300	6.9
189.11272	2.4
189.12845	2.5
191.10715	2.7
193.12334	6.0
195.11839	2.6
196.12088	3.7
197.13257	5.0
199.14822	2.6
200.15323	2.3
207.11827	2.4
207.13824	3.6
208.12190	2.4
209.11714	2.2
209.13416	3.8
211.13356	6.2
211.15018	3.0
213.16331	4.3
221.13356	2.8
221.91870	2.0
223.15025	2.6
225.16408	2.8
226.16876	2.1
227.12794	100.0
228.13217	2.7
239.18031	2.7
241.19594	5.4
253.14340	17.4
257.19055	2.7
259.20584	17.3
263.41058	2.4
273.18604	2.7
275.20129	9.1
277.21396	2.3
281.17538	7.3
283.15424	48.0
285.17059	7.4
291.19635	2.7
293.21115	29.3
315.23410	2.9
333.24261	20.1
349.23801	8.3
351.25406	4.8
352.26920	2.2
355.06985	3.2
365.23215	3.6
367.24698	16.4
407.02426	2.3
462.34198	2.1
477.28757	8.9
480.74063	2.3
500.39746	3.2
518.40820	12.0
535.41418	2.7
536.41693	7.5
541.35358	9.0
556.42291	2.5
557.37744	9.0
575.35822	37.2
592.44421	14.0
610.45441	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	609.4514
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
50.34730	0.4
51.01625	0.4
53.03949	2.0
55.01864	1.6
55.05513	12.8
57.03440	2.9
57.07072	1.6
62.66384	0.4
65.03934	1.1
67.05507	22.2
69.07072	10.9
69.07413	0.3
69.41814	3.4
71.04992	1.0
71.08618	0.6
79.05498	14.0
81.03391	0.7
81.07059	21.1
82.07386	0.5
83.04984	1.4
83.08624	5.5
85.06535	0.6
91.05482	13.0
93.07047	15.0
95.04975	1.5
95.08612	17.0
96.08942	0.5
97.06541	1.8
97.10179	3.8
99.08085	0.5
103.05445	0.5
105.07030	11.8
105.07677	0.9
107.04994	0.5
107.08599	9.1
109.06549	0.5
109.10159	7.5
111.08107	1.1
115.05444	0.8
117.07025	7.4
119.08591	10.4
121.10154	6.7
123.08045	0.8
123.11700	2.1
125.09632	1.6
128.06235	2.6
129.07005	8.9
130.07802	0.6
131.08571	11.3
133.10127	8.0
135.11678	3.4
137.09610	0.5
137.13272	0.6
139.11194	0.5
141.07002	4.8
142.07814	2.8
143.08565	13.3
145.10132	11.0
147.11697	4.9
149.09616	0.5
149.13281	1.7
153.06958	1.1
154.07816	1.4
155.08566	11.6
156.09351	1.6
157.10132	12.1
159.11710	7.3
161.13278	2.8
163.11243	0.5
163.14767	0.5
165.07028	1.6
166.07831	0.7
167.08585	5.7
168.09395	1.4
169.10132	14.0
170.10980	0.8
171.11687	11.1
173.13257	4.7
175.14877	1.3
178.07800	0.7
179.08540	2.1
180.09328	1.3
181.10136	7.7
182.10910	1.2
183.10080	0.7
183.11708	13.5
184.12303	0.6
185.13271	7.4
187.14772	3.2
189.16364	1.0
193.10175	3.0
194.10921	1.0
195.11697	8.5
196.12357	0.7
197.13269	11.5
197.15019	0.7
199.13210	0.9
199.14832	5.2
201.16486	1.5
203.14226	0.5
203.17967	0.9
205.10216	0.5
207.11765	2.5
208.12415	0.9
209.13257	7.9
210.13821	0.6
211.14809	7.8
212.15521	0.4
213.14751	0.7
213.16457	3.9
215.18013	0.8
219.11716	1.5
221.13274	3.2
223.14821	4.6
225.16420	4.9
227.18036	2.9
229.19511	0.6
233.13277	1.0
235.14827	2.9
237.16389	3.6
239.18063	3.3
241.19734	1.2
247.14865	0.8
249.16321	2.1
251.17944	3.0
253.19598	1.9
255.21326	0.6
257.19003	0.8
263.17877	0.9
265.19510	1.9
269.18967	0.5
275.20346	0.6
277.19455	1.0
279.17685	0.5
279.21216	1.2
281.22650	0.6
285.22272	0.7
291.21265	0.5
295.20520	0.8
295.24265	0.5
297.18970	0.5
297.22256	0.7
301.06992	0.9
307.20654	0.6
309.22125	0.9
311.20071	0.7
311.23703	0.7
313.21561	0.7
321.22125	1.2
323.23785	1.4
325.21533	0.6
327.23175	0.8
335.23819	0.9
337.21683	0.7
337.25323	1.3
339.23221	0.8
349.25156	1.2
351.22946	0.5
351.26913	1.4
353.24817	0.7
355.26358	0.6
363.26816	1.0
365.24561	0.8
365.28540	1.6
367.26123	0.7
375.26746	0.7
377.28519	1.4
379.26074	0.6
379.30237	0.8
381.28110	0.5
391.30261	0.8
393.27466	0.7
393.31900	0.7
395.29492	0.7
405.31763	0.7
407.29407	0.8
421.30936	0.6
422.24484	0.7
423.32635	0.7
435.32715	0.7
447.32422	1.6
449.34363	1.0
461.34302	0.7
473.32526	0.5
475.36099	0.7
499.39374	1.9
509.36398	0.6
517.40430	11.4
525.35797	1.0
535.41522	7.6
539.37537	1.6
549.39801	0.6
553.42285	1.7
555.41986	0.8
565.43085	0.5
573.43207	2.5
591.44086	16.6
609.28485	3.1
609.45105	100.0
610.45392	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.9
51.02363	1.1
53.03942	5.9
55.01875	10.3
55.05513	26.7
57.03423	2.5
57.07069	2.1
57.14565	0.6
65.03939	4.7
67.05506	66.3
68.99771	0.9
69.03432	2.2
69.07067	43.5
71.05006	2.9
71.08629	1.8
71.53439	0.7
77.03931	1.5
79.05495	66.9
81.03416	7.4
81.07057	79.5
83.04975	8.8
83.08624	9.0
85.06534	2.3
91.05482	79.6
93.07044	68.5
95.01328	15.8
95.04974	13.8
95.08607	50.4
97.06535	19.6
97.10168	4.3
99.08096	2.3
103.05474	1.5
105.04534	3.5
105.07032	86.5
107.04206	0.7
107.04956	19.7
107.08594	32.2
109.06525	5.3
109.10161	12.6
111.04463	1.1
111.08080	3.5
113.09653	1.8
114.55662	0.6
115.05439	2.9
116.06220	0.6
117.07014	18.7
119.04928	0.7
119.08581	43.5
121.06502	3.6
121.10142	20.1
123.04451	2.9
123.08057	5.2
123.11695	2.2
125.09641	3.0
128.06216	1.0
129.06998	4.0
130.07719	0.8
131.08572	29.4
133.06529	1.1
133.10130	45.7
135.08072	4.3
135.11691	11.2
137.09618	2.6
137.13264	1.0
139.07545	1.5
141.06975	3.2
142.07799	0.8
143.08577	5.1
145.06500	2.3
145.10126	22.6
147.08107	1.1
147.11691	19.6
149.09637	6.6
149.13278	6.0
151.11212	2.3
155.08583	2.2
156.99174	0.7
157.10107	4.6
159.08081	1.1
159.11705	14.5
161.09671	1.3
161.13251	9.1
163.11177	5.0
163.14828	0.9
165.09100	1.6
169.10136	3.7
171.11713	4.0
173.13206	5.2
175.11273	1.1
175.14857	1.5
177.12709	4.0
179.14313	23.7
183.11696	3.0
185.13232	1.4
187.11214	2.9
187.14854	1.6
195.13814	1.0
197.13300	2.9
199.14781	0.7
201.12656	1.0
205.12262	1.7
209.15448	0.6
211.14743	1.1
211.94029	0.7
219.17400	3.1
223.13290	1.0
229.19539	2.0
233.15334	1.2
233.19000	0.9
239.17970	3.0
241.14418	1.4
247.16881	0.7
247.20543	2.8
257.19003	8.8
261.22180	1.4
275.20062	100.0
276.20667	0.8
277.21634	2.5
279.15802	0.6
293.21082	7.0
299.06241	0.7
304.60919	0.7
315.22937	1.0
317.24576	1.1
331.22644	1.3
335.26007	2.2
349.23666	3.5
426.19760	0.7
609.28583	3.1
609.45129	98.1
610.45081	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4514
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
51.02372	0.4
53.03948	1.1
55.01879	1.4
55.05517	11.2
57.03447	2.8
57.07081	1.7
59.05001	0.3
60.67678	0.3
65.03929	1.0
67.05511	21.5
69.03468	0.3
69.07072	10.9
71.04992	1.2
71.08628	0.5
73.06568	0.3
77.03912	0.4
79.05499	13.4
81.07063	21.6
83.04985	1.1
83.08623	5.3
85.06546	1.0
91.05485	11.7
93.07053	14.5
95.04983	1.4
95.08614	17.1
97.06539	1.7
97.10165	3.1
99.08102	0.6
103.05468	0.6
105.04524	0.6
105.07042	14.3
107.04984	0.4
107.08605	9.7
109.06554	0.8
109.10168	7.7
109.10908	0.4
111.08091	0.6
115.05483	1.3
116.06272	0.5
117.07033	7.6
119.08591	12.1
121.06533	0.4
121.10144	6.9
123.08110	0.5
123.11707	2.0
125.09662	1.4
128.06229	2.6
129.05591	0.3
129.07014	9.0
130.07805	1.0
131.08583	11.4
133.10141	8.6
133.11095	0.6
135.08081	0.4
135.11687	4.4
137.09645	0.4
137.13298	0.9
139.11116	0.3
141.06999	4.5
142.07813	2.7
143.08578	11.7
144.09332	0.5
145.10141	13.0
147.11702	6.1
149.09627	0.7
149.13264	2.2
151.11267	0.4
151.14825	0.5
153.07001	1.2
154.07820	1.1
155.08566	10.9
156.09369	1.7
157.10143	12.7
158.10994	0.5
159.11707	7.6
161.13286	3.5
163.11198	0.4
163.14902	0.9
165.07050	1.0
166.07845	0.8
167.08572	5.5
168.09422	1.7
169.10143	13.2
170.10919	1.1
171.11710	11.1
173.13295	4.9
175.11372	0.5
175.14845	1.8
177.16431	0.5
179.08562	1.7
180.09421	1.1
181.08537	0.5
181.10127	7.2
182.10948	1.3
183.11700	13.0
184.12508	0.3
185.11682	0.6
185.13264	7.4
187.14819	3.0
189.12820	0.5
189.16420	0.8
191.08675	0.3
193.10144	2.7
194.11006	0.8
195.11711	8.0
195.13432	0.6
196.12491	0.8
197.13269	9.9
197.15030	0.5
198.13863	0.3
199.13222	0.3
199.14830	5.3
201.16328	1.3
203.17978	0.7
205.10199	0.6
206.10931	0.4
207.11649	2.5
208.12483	0.8
209.13274	7.1
210.14044	0.4
211.14833	6.5
211.16710	0.4
213.13029	0.3
213.14709	0.5
213.16435	3.5
215.17966	0.9
219.11725	1.1
219.17439	0.4
220.12320	0.4
221.13306	2.8
222.13943	0.5
223.14815	5.1
224.15526	0.5
225.16388	4.6
227.18137	2.1
229.19641	0.6
231.17473	0.4
233.13254	0.9
235.14859	2.4
237.16370	4.2
239.18016	2.8
241.15758	0.3
241.17633	0.5
241.19589	1.1
242.49477	0.3
245.18947	0.3
247.14844	0.7
249.16356	1.6
251.17957	2.6
253.19693	1.6
255.21231	0.6
257.19049	1.0
259.20636	0.4
261.16437	0.4
263.18021	1.1
265.19498	1.8
267.17529	0.4
267.21164	0.8
275.17651	0.5
275.20248	0.8
277.19498	1.1
279.21182	1.0
281.22656	0.4
283.20566	0.7
285.18750	0.4
285.22202	0.6
289.19476	0.4
291.20993	0.5
293.22665	0.5
295.20490	0.8
297.18939	0.4
297.22232	1.1
299.20224	0.6
301.06934	0.3
305.19327	0.3
305.22757	0.6
307.20624	0.7
309.22174	1.2
311.23828	0.9
313.21545	0.4
319.20499	0.4
321.22342	1.1
323.23853	1.1
325.21643	0.5
325.25470	0.5
327.23236	0.7
335.23804	1.0
337.21808	0.3
337.25171	1.4
339.23157	0.8
339.26941	0.4
341.24792	1.0
349.25226	0.9
351.26810	1.4
353.24826	0.6
363.26874	0.9
365.24460	0.4
365.28522	1.3
367.26389	0.8
369.27780	0.6
375.26794	0.4
377.28586	0.7
379.25952	0.7
379.30219	1.0
381.27927	0.4
383.29852	0.4
389.28094	0.3
391.30188	0.6
393.31839	0.7
395.29593	0.4
397.31464	0.3
405.31506	0.7
419.33484	0.5
421.30524	0.5
423.32147	0.3
429.31891	0.5
435.32733	0.5
439.32306	0.8
447.21442	0.4
447.32297	0.8
449.34171	0.7
459.32050	0.4
461.33984	0.7
466.80276	0.4
473.33621	0.3
475.35568	0.5
479.35675	0.5
482.68439	0.3
483.35059	0.5
487.34485	0.6
499.39444	1.1
501.35791	0.6
515.37573	0.5
517.40546	10.9
521.24756	0.7
521.36316	0.9
525.35986	0.6
527.37543	0.6
535.41681	5.7
539.37482	1.7
540.38770	0.3
541.38879	0.3
549.25366	0.5
553.42883	0.4
555.42157	0.7
567.40466	0.6
573.42865	1.7
591.44086	13.3
604.99005	0.3
609.26471	5.3
609.45160	100.0
610.44916	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4512
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
51.02375	0.5
53.03941	1.7
53.58868	0.4
55.01862	1.6
55.05514	11.4
56.11901	0.4
57.03444	2.9
57.07062	1.7
65.03939	1.2
67.05507	21.0
69.07071	10.8
71.04961	0.7
77.03941	0.6
79.05496	16.8
81.07058	21.0
83.04986	0.7
83.08620	5.1
85.06534	1.4
89.16300	0.4
91.05484	15.0
93.07048	19.2
95.04973	1.6
95.08607	18.8
97.06535	2.4
97.10164	2.5
98.21601	1.0
105.04536	0.6
105.07033	15.9
107.04889	0.4
107.08598	12.2
109.06525	0.6
109.10162	7.7
111.08112	0.8
115.05470	1.3
117.07021	9.6
119.08582	14.3
121.10154	7.9
123.08097	0.9
123.11737	1.8
125.09647	1.4
128.06236	2.1
129.07007	8.6
130.07777	0.7
131.07599	0.7
131.08578	12.1
133.10127	9.6
135.11707	5.3
137.13315	0.5
139.11206	0.6
141.07004	4.5
142.07785	2.0
143.08569	8.8
144.09340	0.7
145.10124	12.8
147.11681	6.6
149.09595	0.6
149.13300	2.2
153.07045	0.9
154.07822	1.3
155.08548	6.7
156.09346	1.2
157.10139	9.7
159.08136	0.5
159.11703	8.5
161.13287	2.6
163.11214	1.3
163.14879	1.1
165.06963	0.7
167.08568	3.7
168.09351	0.8
169.10130	10.2
169.60724	0.5
171.11691	10.0
173.13275	4.6
175.14848	1.6
179.08572	1.1
180.09314	0.5
181.10114	5.3
182.11018	0.6
183.11699	11.1
183.13242	0.8
184.12460	0.9
185.13243	6.5
187.14893	2.9
189.16414	1.1
193.10115	2.5
194.10982	0.5
195.11729	6.8
196.12421	0.8
197.13269	8.4
199.14871	3.8
201.16422	1.4
201.27296	0.5
205.10092	0.7
205.16022	0.5
207.11742	2.3
209.13289	5.7
211.14856	5.6
213.14729	0.5
213.16451	2.6
215.18048	0.9
219.11612	0.5
221.13362	1.9
223.14798	4.1
225.16464	3.7
227.18095	2.4
229.19627	0.6
229.68460	0.5
233.13333	0.6
233.19164	0.5
235.14929	1.6
237.16377	2.7
239.17998	3.0
241.19823	0.8
245.19016	0.6
249.16441	1.4
251.18008	1.4
253.19553	1.4
255.21184	0.7
257.19165	1.9
259.20660	0.6
263.17908	0.8
265.19547	1.3
267.21310	0.8
274.49365	0.4
275.20035	2.9
277.19519	0.7
279.21106	0.5
281.18915	0.6
283.20657	0.6
285.22076	0.6
295.20404	0.8
297.22305	0.6
307.20447	0.7
311.23654	0.6
313.21829	0.5
321.22098	1.0
323.23697	1.4
325.25339	0.6
327.23190	0.6
335.23575	1.0
337.25403	1.1
339.23233	0.9
349.25293	0.9
351.26968	2.1
363.26819	0.8
365.28394	1.2
369.28165	1.0
372.86835	0.5
377.28232	0.6
381.27844	0.7
391.30368	0.8
401.29745	0.5
403.57538	0.5
407.29092	0.7
409.30933	0.5
423.32813	0.6
447.32629	1.9
449.34055	0.8
465.34201	0.6
473.33093	0.5
475.34338	0.5
483.34912	0.6
487.33994	0.5
499.39328	1.3
501.35757	1.1
517.40479	7.4
521.36285	1.0
523.37573	0.6
525.35400	0.7
527.37299	0.8
535.41638	4.3
539.37262	1.7
540.38226	0.6
549.25189	0.8
555.41241	0.5
573.43036	0.8
591.44189	9.5
609.45148	100.0
610.45068	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.01875	3.3
55.05523	11.3
57.03442	3.3
57.07072	5.9
58.08490	2.1
60.75030	2.2
61.02908	3.4
67.05505	19.4
69.03423	17.2
69.07075	26.1
69.42987	16.8
71.05001	10.9
71.08611	2.5
79.05495	20.1
81.03441	16.2
81.06594	5.0
81.07064	100.0
83.04976	6.0
83.08617	9.3
85.02916	36.7
85.06547	3.8
86.09693	3.0
87.00815	12.1
91.05492	14.0
93.07054	40.3
95.04977	14.1
95.08615	42.0
97.02897	12.1
97.06531	5.4
97.10179	4.2
99.04465	5.2
105.01877	13.9
105.07053	16.5
107.08604	28.2
109.02852	10.0
109.06498	4.1
109.10162	33.3
111.04375	2.6
111.08080	5.0
111.11752	4.1
113.06030	2.3
113.90733	2.3
113.94644	2.4
117.06976	4.8
119.08587	15.5
121.06542	3.7
121.10153	24.6
123.08062	2.9
123.11712	20.1
125.09642	2.4
127.02991	2.6
127.03915	34.7
127.07566	2.3
131.08562	7.5
133.10139	15.4
135.11703	26.6
137.05934	3.3
137.09601	4.9
137.13261	30.7
139.03917	5.6
139.11197	3.3
145.02864	3.9
145.04921	7.5
145.10100	9.8
147.04388	6.8
147.11716	11.6
149.13249	9.9
149.59009	2.6
151.03874	6.7
151.11246	3.2
151.14890	2.5
153.12733	5.8
155.10750	4.1
155.14369	13.3
159.02896	3.7
159.11703	7.5
161.13239	3.9
163.11179	4.0
163.14833	4.5
165.12747	2.7
165.16391	2.7
171.13803	3.4
173.13217	2.3
175.14731	4.0
177.05476	7.4
177.16406	3.0
179.03349	4.2
181.12228	6.8
187.14734	2.8
189.16455	3.6
215.17931	5.1
219.20973	2.4
231.04968	4.4
240.77368	2.4
242.05696	6.8
245.04572	3.2
258.05344	6.6
265.18027	6.6
270.05096	5.6
271.05899	7.9
271.24161	6.8
285.07617	55.1
286.04694	21.1
286.07892	21.2
287.05328	3.6
287.08151	16.5
289.25323	15.8
301.07092	92.7
305.06552	3.1
307.26236	25.8
325.27286	13.6
447.12772	2.8
463.12439	17.0
472.42264	2.6
519.28625	2.6
609.30060	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	609.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.6
55.01866	4.5
55.05516	15.1
57.03421	5.2
57.07065	5.3
59.04995	3.7
61.02912	3.2
65.03941	2.2
67.05167	2.3
67.05505	22.8
69.03439	12.5
69.07069	41.2
70.06580	1.8
70.65919	3.3
71.04996	10.9
71.08634	2.2
79.05503	16.0
81.03429	12.3
81.07060	90.7
83.04980	9.1
83.08632	13.8
84.04510	1.6
84.08113	2.1
85.02431	2.5
85.02911	34.3
85.06545	11.2
87.00837	13.6
91.03965	1.5
91.05487	11.8
93.06479	2.4
93.07047	36.3
95.04456	2.1
95.04980	19.3
95.08610	59.1
97.02898	10.3
97.06519	5.0
97.10155	8.9
99.04434	5.1
99.08101	8.3
101.05999	1.8
105.01887	9.7
105.07038	23.3
107.04967	2.5
107.08592	32.3
109.02887	10.2
109.06507	5.9
109.10164	45.0
111.00776	1.7
111.04453	2.1
111.08102	3.5
111.11704	8.2
113.09660	2.4
117.07006	2.8
119.08590	19.2
121.06515	2.5
121.10149	26.0
123.04417	3.7
123.08035	2.3
123.11716	22.4
127.03928	26.5
127.07616	2.1
127.11169	4.1
129.05510	2.4
131.08585	4.2
133.10139	12.2
135.11690	22.1
137.05997	2.2
137.09607	4.3
137.13274	13.3
139.03929	4.2
139.11177	5.8
141.12711	2.3
145.04961	5.0
145.10081	7.3
147.04445	2.5
147.11702	15.3
149.09650	2.7
149.13278	15.9
151.03879	4.6
151.11118	2.2
151.14833	1.6
153.01790	2.3
153.12715	6.0
155.10706	1.8
159.02922	3.7
159.08121	1.7
159.11703	8.7
161.13234	9.6
163.11179	2.9
163.14844	8.9
165.12799	3.2
167.14275	1.6
169.12225	2.1
171.13815	2.5
173.13239	5.1
175.14822	5.4
177.05392	2.2
177.12759	1.5
177.16360	4.9
179.03351	4.7
179.17950	1.7
183.13789	3.4
187.14824	3.8
189.16339	4.3
191.17842	2.3
198.84860	1.5
203.17987	3.3
205.19479	2.0
207.17586	2.4
212.03836	1.5
213.03842	2.1
213.18506	2.5
215.17847	3.0
221.19035	2.1
231.04988	5.0
233.18922	2.8
242.05788	9.3
252.65025	1.6
258.05228	7.4
270.05161	8.6
271.05865	3.1
271.24197	8.4
277.25278	4.4
285.07574	100.0
286.04803	23.7
286.07727	3.7
287.05408	5.2
289.25266	28.1
295.26331	7.8
301.07083	84.7
307.26334	35.2
325.27371	22.1
343.28506	4.0
387.19623	1.9
423.07428	2.4
447.12759	2.7
463.12332	17.1
537.30096	1.6
591.17078	3.2
609.22632	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	609.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01865	2.1
55.05499	5.9
57.03432	1.8
57.07067	5.5
59.04999	2.5
67.05507	12.7
69.03438	7.7
69.07066	15.5
69.43028	4.0
69.43448	9.5
71.04978	2.4
77.26766	1.5
78.33699	1.5
79.05499	11.6
81.03416	8.5
81.07063	100.0
81.58633	1.9
83.04942	2.8
83.08610	6.4
85.02897	19.4
85.06532	4.7
87.00819	6.2
91.05481	7.0
93.07053	17.0
95.04961	5.1
95.08618	45.7
97.02881	5.9
97.06527	2.1
97.10163	4.2
99.04454	3.1
99.08100	2.7
105.01851	9.5
105.07058	9.3
107.08072	1.4
107.08620	13.9
109.02872	4.8
109.06515	5.5
109.10174	21.5
111.08112	3.8
111.11704	4.0
119.08622	8.0
121.10163	12.1
123.08049	2.4
123.11729	10.4
125.13246	1.6
127.03912	12.6
127.07601	2.8
127.11217	2.2
129.44334	1.5
130.36794	1.7
131.08588	4.2
133.10138	4.0
135.11696	14.4
137.09608	4.6
137.13266	42.1
139.11171	2.4
145.04985	3.4
145.10144	4.5
147.11694	6.0
149.09567	1.9
149.13239	5.8
151.14786	2.8
153.12746	3.9
155.10712	2.3
155.14322	19.6
159.02943	2.4
159.11728	3.9
161.13280	2.5
163.11237	3.0
163.14771	3.2
165.12733	2.1
167.07066	2.1
173.15361	4.5
175.14737	2.9
181.12236	3.3
187.14932	2.4
189.16362	2.1
207.17459	1.7
215.17944	2.8
231.04930	3.0
242.05824	4.2
270.05127	4.6
271.24225	6.8
285.04462	2.9
285.07605	50.9
286.04736	6.1
286.07657	1.9
287.05615	1.8
289.25336	12.1
295.26352	1.9
301.07108	26.3
307.26352	18.0
325.27304	8.9
343.28366	5.6
444.08716	1.8
447.12469	2.9
463.12225	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	609.2711
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03938	0.6
53.90002	0.3
55.01871	0.7
55.05514	1.5
57.03430	0.4
61.55060	0.3
65.03925	0.4
66.07634	0.3
67.05508	5.2
69.07071	2.1
79.05503	3.7
81.03436	0.3
81.07066	4.2
83.04986	0.4
83.08620	0.9
91.05492	3.3
93.07046	4.0
95.04975	0.6
95.08623	3.6
97.06541	0.8
98.20723	0.7
105.07025	3.0
106.75029	0.3
107.04956	0.5
107.08606	2.8
109.10163	2.0
111.08067	0.4
117.07060	1.7
119.08592	2.5
121.10129	1.7
123.11712	0.3
125.09635	0.5
129.07008	1.3
131.08591	1.6
133.10114	1.9
135.11707	1.0
141.06996	0.4
143.08574	1.4
145.10164	2.1
147.11702	1.1
149.09621	0.9
155.08563	0.8
157.10147	0.9
159.11696	1.5
161.13304	0.7
163.11189	0.4
163.88930	0.3
167.08554	0.5
169.10168	1.6
171.11734	0.8
173.13293	0.9
179.14395	0.7
181.10213	0.6
183.11752	1.1
185.13301	0.7
195.11731	0.5
197.13315	0.9
197.31360	0.3
199.14902	0.5
209.10976	0.4
209.13324	0.6
211.14841	0.6
223.14757	0.5
225.16602	0.4
227.18007	0.4
237.13821	0.3
239.17920	0.4
251.17993	0.4
251.36020	0.3
257.19125	0.4
275.20062	2.2
288.23813	0.3
293.21356	0.4
295.81836	0.3
301.07181	0.7
326.08179	0.3
375.16339	0.3
387.16098	0.4
388.16959	0.5
389.17697	0.8
390.18393	0.7
391.19131	1.0
392.20032	0.5
393.21091	0.4
401.17661	0.5
402.18597	0.7
403.19427	1.4
404.20203	0.8
405.21140	2.1
407.22360	1.2
415.19556	0.5
416.20084	0.6
417.17169	1.6
417.22028	1.5
418.17612	0.7
419.22870	3.4
420.23062	0.8
421.24094	0.3
429.21259	0.6
430.17117	1.6
431.18076	3.3
432.18674	1.4
433.20334	6.2
433.25565	0.5
434.21082	1.3
435.21875	0.6
438.46826	0.3
443.18805	1.3
444.19025	1.7
445.19882	3.7
446.21228	3.4
447.21851	4.9
448.23239	1.5
449.23752	0.5
457.20172	0.7
458.20987	5.9
459.21579	3.9
460.22986	3.3
461.19818	1.0
462.20270	0.5
463.21017	2.6
473.23404	1.1
475.21252	1.3
476.21893	1.4
477.22876	1.1
478.23502	0.5
487.25107	0.6
489.19095	0.5
489.23267	0.4
490.23679	0.6
491.24905	0.5
493.22418	0.3
493.25522	0.3
503.24860	0.7
505.22678	0.8
516.22211	0.4
517.22235	0.8
517.40491	0.9
518.23383	3.6
519.23938	9.3
520.24780	0.4
521.25061	2.1
531.24194	1.6
532.24683	0.9
535.23553	0.8
535.41272	0.8
549.24921	5.8
550.25934	0.5
563.26672	0.7
573.24493	0.4
591.16571	0.6
591.26086	12.6
591.43713	0.9
609.27069	100.0
609.44049	15.2
610.27087	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.271
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
52.80613	0.3
53.03941	1.1
55.01869	1.1
55.05513	3.7
57.03428	0.6
57.07070	0.6
65.03934	0.5
67.05510	8.0
69.03407	0.3
69.07076	3.7
69.20525	1.0
69.20950	1.3
71.04990	0.3
77.03889	0.2
79.05133	0.3
79.05495	6.7
81.03432	0.6
81.07066	7.4
83.04979	0.5
83.08203	0.2
83.08607	1.5
85.06536	0.4
91.05484	6.1
93.07051	7.7
95.04990	1.0
95.08610	4.6
96.45096	0.3
97.06520	1.4
97.10179	0.6
100.42179	0.2
105.04558	0.2
105.07041	5.3
107.04970	0.9
107.08606	3.8
109.06549	0.7
109.10152	2.3
111.08141	0.4
116.66298	0.3
117.07032	2.5
119.08584	4.3
121.06526	0.3
121.10148	2.2
123.08100	0.3
123.11684	0.7
125.09625	0.4
128.06187	0.5
129.07007	1.5
131.08565	3.6
133.10138	3.2
135.08046	0.3
135.11655	1.2
137.09653	0.3
137.90881	0.2
141.06995	0.5
142.07874	0.3
143.08548	2.1
145.10133	4.4
147.07925	0.2
147.11702	1.8
149.09595	1.3
149.13251	0.7
151.11168	0.3
155.08594	1.0
157.10158	1.7
158.10759	0.2
159.11713	2.3
161.09721	0.3
161.13261	0.8
163.11200	0.9
163.14828	0.3
167.08633	0.3
169.10147	1.1
171.11729	1.1
173.13293	1.3
175.11206	0.4
175.14738	0.3
179.14359	0.8
181.10173	0.6
183.11696	1.2
185.13309	0.8
187.14848	0.8
195.11783	0.6
197.13347	1.4
199.14853	0.7
200.09897	0.3
201.16486	0.4
207.11757	0.5
209.13309	0.5
211.14919	0.9
213.16521	0.5
221.13298	0.4
223.12646	0.3
223.14787	0.5
225.16406	0.3
229.19525	0.4
237.16307	0.3
239.17973	0.7
255.17157	0.3
257.19009	1.9
275.20105	4.5
293.21280	0.7
331.22791	0.8
335.25873	1.3
348.23990	0.3
389.17572	0.4
390.18466	0.4
391.19394	0.7
400.17767	0.3
401.17441	0.3
403.19495	0.4
405.20889	0.9
414.18558	0.4
415.19138	1.3
416.20187	0.5
417.16470	0.5
417.21411	0.6
419.18167	0.7
419.22421	1.0
428.20078	0.5
429.20972	2.8
430.21783	0.9
431.18695	1.0
431.23239	0.5
432.19421	0.5
433.15442	0.4
433.24954	2.0
434.20963	0.7
435.21967	0.3
443.22955	1.2
444.23486	1.4
445.19089	0.5
445.24051	1.3
447.22903	1.7
448.22858	0.6
449.23392	0.8
457.20261	0.9
458.25171	0.5
459.21692	4.1
460.23068	2.1
461.19125	1.6
461.23633	2.6
462.19949	2.0
463.21295	0.9
471.21786	0.5
472.22769	1.8
473.23361	1.1
474.24521	0.5
475.25699	0.6
476.22125	2.5
477.22861	2.2
485.23645	1.4
487.25183	3.4
488.22208	0.3
489.23056	1.4
490.23703	0.4
492.25259	0.5
493.26755	0.3
503.24844	2.1
505.25937	0.3
517.22827	0.4
517.40216	0.6
519.23627	2.1
521.21655	3.3
531.23956	22.3
532.24518	1.4
534.22662	0.4
535.41168	0.5
549.25018	13.0
563.26532	0.8
580.23706	0.4
581.27386	0.4
584.12872	0.4
591.25946	3.8
591.43903	0.9
608.43915	1.9
609.27106	100.0
609.44098	19.6
610.27228	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	609.2708
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
54.02308	0.3
55.01871	0.5
55.05519	2.4
57.07069	0.3
67.05186	0.3
67.05508	4.2
67.05842	0.5
69.07076	2.3
69.28876	2.5
70.26023	0.2
71.08636	0.4
72.78240	0.3
79.05062	0.3
79.05500	4.1
81.07059	4.5
83.08613	1.0
86.70968	0.3
91.05490	2.3
93.07043	3.5
95.04968	1.1
95.08608	2.9
97.06508	0.3
97.10180	0.5
99.08056	0.4
105.07045	2.7
107.08582	2.2
107.09163	0.2
109.06498	0.4
109.10153	1.7
116.22350	0.2
117.07001	1.7
119.08589	2.4
121.10134	1.3
125.09591	0.5
129.06995	1.1
131.08580	1.9
133.10144	1.4
135.11714	1.2
141.06964	0.4
143.08556	1.2
145.10118	1.8
147.11723	1.0
149.09641	0.4
149.13304	0.4
155.08578	1.6
157.10161	1.2
159.11690	1.4
161.13284	0.4
163.11160	0.4
166.13623	0.3
167.08559	0.3
169.10158	1.1
171.11699	1.0
173.13254	0.7
179.14288	0.3
181.10158	1.1
183.11728	1.0
185.13266	0.6
195.11693	0.6
197.13307	0.7
199.14876	0.8
209.13383	0.4
211.14877	0.4
213.16356	0.4
221.13329	0.3
223.14758	0.3
225.16484	0.4
233.11171	0.3
235.14742	0.5
237.13847	0.4
239.17885	0.5
251.15646	0.3
257.19003	0.4
275.19986	1.4
281.22589	0.4
301.07037	0.5
346.84399	0.3
375.16800	0.5
376.17297	0.5
377.17773	0.4
378.18103	0.3
389.18643	0.8
390.18634	0.9
391.19186	1.9
392.20026	1.1
400.16815	0.4
401.17685	0.6
402.18896	0.3
403.19495	0.7
404.20694	0.7
405.16623	0.4
405.20950	2.8
406.21710	1.5
407.22391	2.6
414.18802	0.4
415.19092	1.4
419.18204	0.7
419.22421	1.1
420.23270	0.6
421.23868	3.3
422.24612	0.4
427.19049	0.6
428.20187	0.6
429.20932	1.6
430.21817	0.9
431.18002	0.6
432.19604	0.5
433.20221	1.2
433.24774	0.6
435.21912	0.6
442.21796	0.5
443.23145	0.5
444.23172	0.9
445.20309	1.1
446.21243	0.3
447.17374	1.5
448.18820	0.4
449.23526	0.7
457.24033	1.2
459.22214	1.7
460.23389	1.3
461.18912	4.1
462.19986	1.6
463.20651	1.6
471.18118	0.6
472.22739	0.8
473.19397	0.4
474.20544	0.8
475.21158	7.3
476.21930	5.9
477.22433	4.2
478.23398	0.8
479.24725	0.6
485.23587	5.6
486.20175	2.2
487.20837	0.8
487.25623	0.3
488.21994	0.8
489.22919	3.8
493.26178	0.3
494.26758	0.7
497.23511	0.4
499.21219	3.2
500.22073	1.3
502.23853	0.5
503.24628	6.4
504.21228	0.8
504.25708	0.7
505.22363	0.6
507.23837	1.0
511.37698	0.5
513.22986	0.8
515.24591	5.5
517.22504	1.9
517.40741	1.0
518.23322	0.7
521.26221	2.6
531.23920	9.1
533.25867	0.7
535.23364	1.0
535.41260	0.7
541.22650	0.8
548.24176	0.5
549.24847	2.3
550.25818	4.4
559.23456	4.5
563.26538	1.3
577.24799	1.6
591.26068	10.5
591.43903	1.0
609.27087	100.0
609.43811	14.1
610.27997	1.4
615.63135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1815
Annotation	Diosmin 
Peak:m/z	Relative Intensity
57.03447	0.5
70.64422	0.6
71.04999	3.5
85.02915	4.1
87.04475	0.3
129.05510	0.7
149.06050	0.3
153.01877	0.6
258.05280	7.7
269.24979	0.2
286.04736	29.1
301.07080	100.0
302.07425	1.0
363.39523	0.2
365.77933	0.2
463.12378	24.8
464.12799	0.2
494.12497	0.2
519.11578	0.2
609.18054	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.1
55.21326	0.1
55.49441	0.1
57.03439	0.9
67.05489	0.1
69.03400	0.2
69.27709	0.2
69.28114	0.5
71.04996	3.9
75.04434	0.2
80.99924	0.1
81.07041	0.2
83.04958	0.1
85.02907	4.7
85.06483	0.1
87.04453	0.1
95.08553	0.1
99.04445	0.1
105.01903	0.1
106.36514	0.1
109.10213	0.1
111.04428	0.2
125.09602	0.1
127.03884	0.1
129.05487	1.1
134.70222	0.1
147.06506	0.2
149.05980	0.2
151.03882	0.1
153.01816	0.7
175.03906	0.1
219.10117	0.2
226.56953	0.1
229.05002	0.2
258.05249	8.1
286.04724	30.3
287.05151	0.3
301.07062	100.0
302.07382	0.9
447.12778	0.1
463.12363	21.8
464.12799	0.2
491.92450	0.1
609.17896	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2709
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03920	0.4
55.01844	0.4
55.05462	1.6
57.03411	0.2
57.07049	0.3
61.50782	0.2
65.03909	0.3
65.29652	0.2
67.05508	4.7
67.05832	0.3
69.07065	2.1
69.15578	0.5
69.15997	1.4
71.04947	0.3
79.05496	4.3
79.05912	0.2
81.07063	4.0
83.04947	0.2
83.08556	0.8
91.05484	3.9
93.07049	4.1
95.04968	0.9
95.08617	3.3
96.97572	0.2
97.06537	0.9
97.10130	0.3
105.07035	3.2
107.04905	0.5
107.08596	2.8
109.06483	0.3
109.10171	1.2
111.08051	0.2
117.07037	1.3
119.08591	2.5
121.06475	0.3
121.10162	1.6
123.07996	0.3
128.06190	0.3
129.06924	0.8
131.08577	2.2
133.10139	2.0
135.08026	0.3
135.11623	0.7
137.09572	0.2
141.06947	0.3
142.07780	0.3
143.01678	0.2
143.08568	0.9
145.10126	2.6
147.11719	1.2
149.09595	0.8
149.13226	0.5
155.08449	0.6
157.10057	0.7
159.11690	1.2
161.13208	0.6
163.11139	0.5
163.14853	0.2
167.08563	0.3
169.10057	0.8
171.11667	0.9
172.03928	0.3
173.13213	0.8
175.14807	0.3
177.12897	0.2
179.14262	0.6
181.10176	0.3
183.11615	0.7
185.13217	0.6
187.14854	0.4
195.09143	0.3
195.11626	0.5
197.10609	0.3
197.13261	0.6
199.14925	0.3
204.06551	0.4
205.12274	0.2
209.13177	0.3
211.14833	0.3
213.16145	0.2
235.37788	0.2
239.17740	0.4
257.19073	0.9
259.20493	0.2
261.22195	0.4
275.20090	3.8
293.21017	0.5
298.13120	0.2
331.22650	0.4
335.25818	0.5
350.16205	0.2
362.15012	0.4
363.16122	0.5
375.15982	0.4
376.16608	0.6
377.17599	1.7
378.18439	0.5
379.19312	0.7
389.17645	0.5
390.18820	0.9
391.15521	0.3
391.19394	2.7
392.20004	1.6
393.20724	1.3
403.19202	0.5
404.16202	0.7
404.20111	0.6
405.16376	3.3
405.20969	1.6
406.17404	0.9
407.22510	5.0
407.27173	0.2
408.23126	0.3
409.45169	0.2
417.16733	0.3
418.17462	1.1
418.22366	0.4
419.18362	5.0
420.19229	2.4
421.20087	2.4
421.24603	0.2
423.21704	0.2
431.18826	0.4
432.19922	0.3
433.16031	2.0
433.21161	4.7
434.21289	3.3
435.21854	9.9
436.22638	0.6
446.21390	0.2
447.17267	3.4
448.18262	1.2
449.19666	1.8
461.19086	2.4
462.20444	6.9
463.21298	6.1
464.22354	0.4
474.21036	0.3
475.21423	3.0
476.22321	0.9
479.19830	1.0
489.22855	1.7
493.20367	0.2
493.26825	0.4
494.22858	0.4
505.22128	0.3
506.23199	0.3
507.19196	0.9
508.24911	0.3
517.22345	0.6
517.40375	0.5
520.21667	0.3
521.25726	8.4
534.22589	0.6
535.41559	0.3
549.25006	27.3
550.25378	0.7
566.25104	0.2
577.24402	0.5
581.27588	1.8
591.44110	0.8
609.27081	100.0
609.43433	11.9
610.27313	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	609.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80247	0.1
57.03429	0.3
66.42552	0.1
69.03429	0.2
69.13340	0.1
70.70873	0.3
71.01346	0.1
71.04999	0.7
73.02925	0.3
76.19505	0.1
81.07047	0.2
82.67693	0.1
85.02487	0.1
85.02914	1.3
88.87325	0.1
95.01330	0.1
97.02870	0.3
98.59843	0.1
107.04928	0.2
113.89326	0.1
114.44082	0.1
129.05493	0.2
139.03902	0.2
141.01828	0.2
148.47456	0.1
153.01868	0.5
163.00514	0.1
177.05327	0.1
229.05006	0.2
255.06688	0.1
258.05249	9.9
285.07556	0.3
286.04730	32.1
287.05331	0.2
301.07071	100.0
302.07422	0.5
433.11267	0.5
463.12369	4.7
609.14551	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1815
Annotation	7-Methyltectorigenin 4'-O-[beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside]
Peak:m/z	Relative Intensity
53.03938	1.4
63.02403	0.5
64.11433	0.4
69.03434	1.3
69.22356	3.0
71.05002	1.2
81.03425	2.6
85.02909	7.0
89.03919	4.9
91.05460	0.4
95.04962	0.5
97.02281	0.9
97.02892	12.0
98.21465	0.8
99.04451	6.0
103.03947	8.4
103.04634	0.4
108.13132	0.4
109.02895	3.4
117.03381	15.9
127.03918	68.2
128.04268	0.4
134.03644	1.1
135.04477	0.6
145.02850	44.1
145.04762	5.0
149.05965	5.9
163.03911	1.4
177.05470	100.0
178.05804	0.6
186.05518	1.1
195.06523	4.6
196.66858	0.4
241.08598	0.5
242.05740	0.6
254.05852	0.6
270.05212	1.1
271.05801	3.2
285.07483	6.0
286.04712	2.0
299.05508	13.9
300.06305	2.0
301.07037	4.4
315.08618	44.0
316.09003	0.6
321.09555	3.1
339.10745	2.4
381.11758	1.3
462.96103	0.4
463.12039	1.2
477.14151	0.4
483.08890	0.5
483.15063	7.9
574.33960	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	14.1
55.01870	11.2
55.05514	32.4
57.03450	10.2
63.70259	2.1
65.03922	4.2
67.05507	100.0
67.46199	2.5
68.05825	4.7
69.03416	5.5
69.07074	35.5
71.04993	6.1
79.05497	91.8
80.05828	2.3
81.03423	23.2
81.07058	99.1
82.07392	6.1
83.04980	15.7
83.08621	19.1
85.06545	4.8
91.05482	82.5
92.05827	4.1
93.07048	92.5
94.07384	3.2
95.04974	23.2
95.08609	43.2
97.06539	21.9
97.10152	4.5
99.08114	3.5
105.04520	3.0
105.07037	60.5
107.04976	13.2
107.08601	38.7
108.08968	2.7
109.02862	3.1
109.06511	8.8
109.10155	12.2
110.10458	2.4
110.14238	2.4
111.08063	2.4
112.09757	2.3
115.05462	2.7
117.07021	23.6
119.08581	38.1
121.06490	6.6
121.10154	21.4
122.10434	2.4
123.08071	8.1
123.11639	4.6
128.06241	3.9
129.07018	17.6
131.08577	24.5
133.06502	2.3
133.10138	27.3
135.08061	5.0
135.11710	11.5
141.06963	3.4
142.07730	2.8
143.08571	16.1
145.10139	21.2
147.08058	4.9
147.11699	38.4
149.09641	14.7
149.13298	8.1
151.11246	2.8
155.08565	5.4
157.10132	5.4
158.10484	2.6
159.11658	15.0
161.09644	3.5
161.13220	13.2
163.11188	9.3
165.12791	2.4
169.10115	4.1
171.11705	21.2
173.13271	5.3
177.12801	3.2
179.14273	3.3
181.10165	4.2
183.11641	3.5
185.13246	2.3
189.11295	1.9
189.12737	12.0
195.11797	3.0
195.13754	4.7
196.14142	2.3
197.13228	2.8
201.12656	2.3
207.13806	25.9
209.13280	2.8
227.12790	5.7
229.19571	2.2
239.17896	5.0
255.15930	6.9
257.18991	9.2
269.17471	11.3
272.19687	1.9
275.20071	29.5
281.17484	61.3
349.23648	18.4
367.24246	2.6
432.18518	2.8
434.24023	5.4
446.20105	3.2
447.21469	3.6
460.22122	4.8
461.22748	4.5
461.28836	27.9
462.23737	6.8
464.30777	4.3
475.30573	85.3
548.27423	18.4
555.36792	23.1
573.37665	3.1
590.42499	3.7
608.28143	47.9
608.35455	7.9
608.43634	37.2
609.27173	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	608.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.5
52.36259	0.9
53.03939	5.7
55.01844	4.5
55.02078	1.1
55.05515	14.4
57.03441	5.5
57.07048	1.0
60.23698	1.0
65.03915	3.6
67.05510	39.1
68.05833	1.3
69.03401	0.9
69.07072	17.5
70.81037	0.9
71.04965	2.0
71.08606	4.4
71.17365	1.9
72.22485	0.9
79.05497	48.4
80.05800	1.4
81.03432	6.7
81.07061	44.9
82.07370	1.8
83.04995	8.4
83.08624	7.0
85.06510	2.2
91.05480	51.9
92.05788	1.8
93.07048	49.2
94.07355	1.3
95.01319	1.3
95.04482	1.0
95.04975	12.5
95.08610	25.8
97.06528	6.7
97.10146	5.2
99.08051	3.1
103.05432	2.0
105.04485	2.7
105.07034	45.9
106.07362	2.2
107.04965	7.3
107.07877	1.3
107.08593	20.2
108.05273	1.1
108.08862	1.2
109.06501	5.3
109.10156	5.7
111.08057	2.6
115.05420	2.8
117.06374	1.0
117.07025	12.3
119.08587	31.3
120.08902	2.2
121.06437	3.2
121.10147	7.7
123.08056	4.8
123.11702	1.5
125.09620	1.6
128.06174	1.8
129.06178	1.1
129.07008	13.6
131.07753	1.1
131.08569	14.9
132.08791	1.1
133.06429	1.4
133.10139	22.5
134.10432	1.3
135.07993	2.0
135.11719	6.2
137.09529	1.8
141.06940	1.9
143.08591	6.9
145.10121	14.5
146.10455	1.9
147.07983	2.2
147.11691	30.5
148.11943	1.7
149.09550	4.0
149.13260	6.6
156.09303	1.0
157.10059	2.8
159.11693	10.7
161.09560	2.4
161.13269	13.1
163.04048	1.1
163.11145	2.9
163.50993	0.9
165.08997	1.0
167.25465	0.9
169.10028	2.0
171.10329	1.4
171.11700	18.7
173.13249	5.0
175.14751	2.8
177.12695	3.5
179.14330	2.5
181.10060	1.0
183.11588	3.2
185.13213	3.3
187.14815	1.0
189.12749	6.3
195.13759	1.8
197.13182	1.7
199.14723	1.9
205.12222	1.3
207.12115	1.3
207.13809	11.9
217.15842	1.3
230.19904	1.0
231.20822	1.2
241.19528	5.4
242.19528	1.1
257.18829	3.9
259.18530	0.9
259.20618	10.4
275.20004	10.6
276.20251	4.3
279.15823	3.2
281.14685	1.5
281.17480	22.1
293.21103	21.8
315.23022	2.9
333.24243	8.9
349.23618	2.8
350.24033	1.8
367.24463	3.8
389.16968	1.4
390.17783	3.4
403.19028	1.9
404.19788	5.1
405.20248	2.2
406.20895	2.0
416.19611	1.7
417.16153	2.1
418.16443	4.6
418.21570	2.0
419.22177	1.6
420.22849	6.8
431.17889	2.3
432.18503	10.6
433.19385	3.0
434.19778	1.2
445.19931	2.1
446.20389	10.1
447.21442	8.3
447.32025	1.5
448.22070	9.4
458.20645	1.4
460.22168	3.1
461.23483	5.3
462.23273	4.0
474.19095	2.2
475.20758	8.6
475.30612	11.4
476.21512	10.0
502.22861	1.5
506.22177	2.0
519.23230	2.8
520.24194	13.7
539.37250	10.2
547.22998	3.8
548.23254	56.2
549.23792	2.2
555.36768	2.2
557.38434	2.2
562.24878	1.3
573.37952	10.6
580.25726	4.0
590.24731	1.4
608.25671	100.0
608.42963	16.5
609.25745	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.5
55.01865	7.2
55.05514	32.7
57.03453	11.4
57.07060	3.5
63.22787	2.0
65.03943	3.7
65.43472	2.0
67.05508	88.3
68.05832	3.5
69.03426	5.8
69.07074	37.1
70.07349	2.1
71.05000	6.1
77.03915	2.1
79.05495	88.4
79.05958	4.4
80.05804	2.5
80.84377	2.1
81.03427	20.0
81.07063	88.2
82.03692	2.5
82.07396	4.8
83.04990	19.8
83.08633	19.2
85.06542	5.2
87.17294	2.0
91.05487	77.9
92.05780	2.6
93.07050	93.6
94.07362	2.6
95.04971	22.6
95.08611	45.7
95.09170	3.8
96.08914	2.2
97.02886	5.9
97.06541	21.2
97.10173	5.2
102.18521	1.9
103.05465	2.2
105.07040	51.3
106.07388	2.4
107.04980	12.6
107.08600	38.2
109.02851	2.4
109.06528	9.5
109.10163	12.3
111.08086	5.4
115.05516	3.6
117.07046	19.6
119.08586	45.2
121.06504	7.3
121.10153	17.3
123.08073	6.9
123.11721	4.9
129.07010	20.4
129.55051	2.2
131.08566	21.9
132.82010	2.1
133.06372	2.8
133.10107	25.8
135.08095	5.7
135.11719	18.6
141.07010	3.7
143.08563	14.4
144.09053	2.7
145.10123	23.0
147.11691	45.3
149.09605	11.4
149.13272	7.1
151.11186	2.9
155.08553	4.3
156.49078	2.4
157.10095	6.4
159.11670	16.4
159.23138	2.4
161.09619	5.3
161.13274	10.1
163.11160	7.6
169.10141	5.2
171.11674	28.4
173.13301	5.2
177.12807	5.8
179.14420	3.2
181.12303	2.6
189.12743	10.4
195.13849	7.4
207.13809	26.4
208.82564	2.3
225.14757	3.0
229.19426	2.6
239.17995	2.9
255.15901	11.8
257.18909	11.5
267.15872	3.3
269.17474	20.7
275.20096	27.2
281.17490	63.4
349.23737	12.9
367.24774	4.1
395.97052	2.6
410.15451	2.4
457.29678	2.9
461.22714	3.6
461.28961	39.4
462.23532	3.5
464.30820	3.9
475.30594	100.0
548.27332	6.8
555.36792	23.8
573.37946	4.3
582.12195	2.2
608.27075	15.6
608.35455	10.4
608.43268	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	607.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	0.4
53.03943	2.0
55.01877	2.2
55.05517	13.0
57.03439	2.2
57.07068	1.6
59.04965	0.5
59.50315	0.5
65.03933	1.4
67.05511	23.5
69.03419	1.3
69.07076	11.7
71.04974	1.5
71.08615	0.4
73.39618	0.4
76.37447	0.6
79.05504	16.0
79.05965	0.8
81.03427	2.8
81.07064	22.3
83.04979	2.1
83.08628	4.8
84.54613	0.4
84.77630	0.5
85.06528	1.4
91.05492	16.5
93.06486	0.8
93.07056	15.6
95.04950	1.6
95.08614	17.5
97.06554	2.7
97.10180	3.2
99.08076	0.6
103.05454	1.0
105.07040	15.9
107.04963	1.4
107.08600	9.7
109.06512	1.3
109.10176	6.5
111.08085	1.6
115.05428	0.5
116.06335	0.4
117.06231	0.6
117.07029	8.1
119.08591	12.5
119.58945	0.4
121.06506	0.9
121.10162	6.7
123.08041	1.1
123.11711	2.2
125.09639	1.4
128.06259	2.5
129.05534	0.5
129.07024	8.1
130.07773	1.0
131.08578	11.5
133.10155	7.6
135.08076	0.8
135.11740	3.0
137.09558	0.9
141.07007	5.1
142.07794	2.5
143.08574	9.4
144.09293	0.9
145.10138	10.6
147.08037	1.1
147.11707	5.9
149.09613	1.3
149.13217	1.8
151.11198	0.6
153.07045	2.6
154.07744	1.3
155.08568	11.3
156.09375	1.1
157.10133	10.1
159.08070	0.6
159.11693	7.6
161.09637	0.6
161.13268	3.0
163.11180	1.0
163.14851	0.9
165.06972	2.6
166.07808	1.3
167.08597	7.3
168.09381	2.2
169.10143	11.4
170.10881	1.0
171.10300	0.6
171.11703	6.9
173.11894	0.7
173.13257	4.2
175.11229	0.6
175.14810	1.0
177.12770	0.9
178.07819	0.9
179.08597	4.5
180.09326	1.4
181.10136	11.1
182.10936	1.6
183.11716	11.1
185.11789	0.7
185.13275	5.5
187.14870	2.4
189.12772	0.5
191.08528	1.0
192.09361	1.6
193.10185	4.8
194.10925	1.3
195.11716	11.3
195.13545	0.6
196.12480	0.8
197.09596	0.5
197.13264	8.3
199.11237	0.6
199.13191	0.7
199.14816	3.7
201.12643	0.5
201.16397	1.3
204.09303	0.8
205.10152	1.9
206.10883	0.9
207.11736	6.0
208.12480	0.9
209.13266	8.2
210.13995	0.8
211.14886	5.7
213.14670	0.8
213.16374	2.0
215.17984	1.0
217.10065	0.7
219.11749	2.3
220.12500	0.9
221.13220	5.2
221.15138	0.5
222.14059	0.9
223.14812	7.5
225.16423	2.7
227.12827	0.5
227.18002	1.1
229.19540	0.6
231.11755	0.8
233.13254	2.8
235.14847	4.6
237.16438	4.1
239.17976	2.3
241.19659	1.0
245.13313	0.7
247.14799	1.9
249.16490	2.6
251.18025	2.4
253.19518	1.2
255.17375	1.0
257.19061	1.1
259.20706	0.6
261.16382	1.6
263.17905	2.2
265.19455	1.6
267.21231	0.6
271.16946	0.5
273.16156	0.6
273.18698	0.5
275.20401	2.6
277.19467	1.6
279.21063	0.9
289.19568	0.8
295.20468	0.6
303.20932	0.5
305.22485	0.8
307.20511	0.9
309.22025	1.0
311.20062	0.5
313.21835	0.8
315.23181	1.0
319.20502	0.8
321.22086	1.8
333.21973	0.9
335.23703	1.5
337.21652	0.7
337.25299	0.5
339.18076	0.6
339.23102	0.8
345.22043	0.8
347.23831	0.9
349.25009	1.5
351.23050	1.0
353.24539	0.9
361.25385	0.7
363.26843	1.8
365.24426	0.7
367.26364	0.7
375.26624	0.7
377.28497	1.6
387.26776	0.6
389.28525	0.9
393.27408	0.5
395.29483	0.6
405.27563	0.8
407.29486	0.8
417.31476	0.5
419.28964	0.6
421.31036	0.8
431.18628	1.5
431.28687	0.7
433.23846	2.0
433.30109	0.9
445.20099	1.4
445.30457	1.1
446.20816	1.2
447.21719	1.3
447.31973	0.5
459.32782	0.7
460.22385	2.8
461.23309	3.1
463.30951	0.5
473.23264	1.0
481.33276	0.7
492.25363	0.6
497.37448	1.3
505.22601	0.6
515.38867	10.2
533.40088	5.4
537.35883	1.0
538.36487	1.1
547.27100	9.8
551.41602	2.4
571.41101	1.3
581.28253	0.5
589.42694	8.3
607.28778	33.6
607.43347	100.0
608.29095	1.4
608.43652	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.9
53.03944	6.6
55.01872	9.4
55.05511	23.1
57.03434	3.9
57.07060	3.4
65.03947	5.1
65.41245	0.9
65.82094	0.9
67.05503	57.7
68.05834	1.8
69.03426	3.2
69.07069	36.9
69.23388	0.9
70.81226	1.7
71.04986	3.8
72.31525	0.8
73.06574	1.2
73.59580	0.9
74.05560	0.9
77.03882	1.7
79.05493	54.3
80.05821	2.0
81.03420	8.5
81.07056	60.6
82.07386	1.9
83.04987	9.9
83.08620	8.6
85.06535	2.7
91.05482	79.8
92.05813	1.9
93.07042	48.8
94.07372	1.3
95.01337	12.1
95.04969	12.2
95.08608	39.5
97.06533	15.2
97.10133	4.3
99.08087	1.7
103.05477	3.6
105.04546	1.9
105.07032	93.0
106.07387	1.2
107.04959	21.3
107.08603	24.9
108.08947	1.5
109.06540	4.2
109.10154	15.3
110.10460	1.0
111.08073	3.6
113.09618	1.2
115.05444	3.3
116.06238	1.0
117.06217	1.5
117.07021	22.9
118.07398	0.9
119.08584	53.2
120.08942	1.2
121.06483	3.5
121.10146	13.7
123.04431	2.6
123.08047	3.9
123.11705	2.4
125.09618	2.4
128.06224	3.7
129.07005	10.1
130.07738	1.1
131.08568	33.5
133.06389	1.1
133.10135	52.6
134.10390	1.7
135.08075	3.1
135.11688	10.2
137.09624	1.8
139.07498	1.1
141.06981	3.4
142.07779	1.9
143.08559	11.0
144.09346	1.6
145.06506	2.3
145.10118	28.3
147.08046	2.1
147.11688	25.8
148.12018	1.4
149.09624	6.8
149.13261	3.6
151.11189	3.9
152.11516	1.1
155.08524	4.8
156.09346	1.3
157.10115	11.3
159.08131	1.1
159.11696	22.0
160.12177	0.9
161.09686	2.3
161.13245	9.2
163.11217	4.3
163.14935	0.9
167.08600	2.5
169.10185	6.7
171.11691	11.7
172.12074	1.6
173.13271	9.4
175.11139	1.4
175.14836	2.7
177.12753	4.1
179.08673	1.1
179.14334	13.6
181.08693	0.9
181.10051	4.4
183.11690	6.3
185.13237	6.6
187.11223	1.9
187.14819	1.6
189.12738	2.5
193.10179	1.2
194.11018	1.2
195.11693	3.6
195.13528	1.3
197.13289	5.7
199.14810	3.7
201.12650	1.1
201.16385	1.6
205.12311	1.2
207.11913	1.5
207.13770	2.3
208.14323	1.2
209.13347	3.1
211.14844	2.3
213.16389	1.8
217.19502	1.2
219.11595	1.2
221.13307	2.8
223.14931	1.6
229.19444	1.5
231.21092	2.7
233.13173	1.2
233.15373	1.4
239.17900	3.5
241.14281	1.2
241.19542	8.2
247.20610	1.5
253.14284	7.7
254.14716	4.1
257.18976	6.1
259.20581	12.3
263.18222	1.1
273.18570	2.2
274.18848	2.2
275.20065	66.3
281.17227	4.3
282.17822	2.8
291.19513	2.1
292.19879	2.4
293.21109	6.8
297.22241	1.5
313.21591	1.7
313.84952	1.0
315.23206	16.2
333.24387	1.4
349.23657	9.3
366.23456	2.1
387.15897	0.9
388.16837	1.4
389.17557	2.5
402.18527	1.0
403.19376	5.5
404.19916	2.0
405.20633	2.3
417.16898	3.3
417.20993	3.1
418.21838	2.1
419.22424	6.8
431.18292	7.8
432.19467	2.8
433.19595	1.8
437.34094	1.2
445.19980	8.4
446.20926	7.4
447.21689	10.2
460.22540	2.8
461.23352	3.2
473.23676	1.8
474.20410	8.0
475.21222	8.6
478.29126	1.4
483.34595	1.8
487.21124	1.7
497.37552	1.2
501.22757	1.3
505.21973	1.8
515.39178	1.3
519.23907	10.2
533.39667	2.3
538.36523	1.1
547.23126	43.0
548.24023	1.4
551.40857	2.3
554.35504	1.5
561.24670	1.6
572.36707	5.4
579.25800	3.8
589.42383	2.8
607.25519	72.2
607.43445	100.0
608.25879	7.0
608.44147	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.4
51.02381	0.4
53.03933	1.0
55.01872	2.6
55.05270	1.0
55.05515	13.2
57.03433	2.5
57.07083	0.8
65.03932	1.3
67.05508	20.4
69.03420	1.1
69.07071	8.9
71.04984	1.0
71.08612	0.5
73.93041	0.5
79.05499	14.9
81.03430	0.9
81.07062	19.4
83.04982	1.3
83.08626	4.9
85.06546	1.5
91.05485	14.3
91.90652	0.5
93.07049	14.3
95.04973	2.1
95.08611	16.9
97.06554	3.1
97.10167	3.2
99.08084	0.7
105.04526	0.6
105.06322	0.7
105.07033	13.7
107.04948	1.0
107.08591	10.1
109.06564	0.9
109.10157	7.2
111.08104	1.3
115.05480	0.8
117.07028	7.3
119.08588	12.2
121.06556	0.6
121.10152	5.8
123.08078	1.2
123.11720	1.6
125.09624	1.1
128.06227	1.9
129.07011	8.3
130.07808	0.7
131.08572	9.8
133.10156	7.4
135.08087	1.0
135.11668	3.2
137.13284	0.8
137.74689	0.5
141.06982	5.0
142.07780	2.5
143.08566	9.9
144.09276	0.8
145.10132	10.3
147.11671	4.6
149.09686	1.1
149.13281	1.4
153.07010	1.8
154.07814	1.9
155.08556	9.4
155.09724	0.8
156.09407	0.9
157.10144	9.6
159.11711	6.4
161.09601	0.7
161.13239	2.2
161.56516	0.5
163.11212	0.8
163.14809	0.7
163.56931	0.5
165.07076	1.8
165.12775	0.6
166.07806	2.2
167.08572	6.6
168.09344	1.8
169.10127	12.8
170.10844	0.5
171.11684	7.0
173.13268	4.2
174.14053	0.5
175.14822	1.0
177.12701	0.6
178.07848	1.2
179.08577	4.0
180.09380	1.5
181.10136	10.3
182.11003	1.2
183.11691	11.9
183.13200	0.7
185.13266	5.4
187.11230	0.5
187.14810	1.9
191.08673	0.8
193.10144	5.5
194.10933	1.4
195.11722	10.5
195.13445	0.9
196.12466	0.7
197.13281	7.6
199.14847	2.3
201.16594	0.6
205.10156	2.2
205.15878	0.6
206.10893	0.9
207.11688	5.5
208.12512	0.9
209.13272	8.5
211.14864	5.0
213.16469	1.4
219.11790	2.0
220.12265	0.6
221.13261	4.7
222.14177	1.3
223.14812	5.9
223.16785	0.7
225.16367	2.9
227.18071	0.8
231.11571	0.8
233.13351	2.4
235.14867	4.3
237.16432	4.9
239.17966	1.7
247.14862	2.2
249.16376	2.8
251.18030	2.9
253.19641	0.6
257.19089	1.0
259.20630	1.2
261.16412	1.3
263.17987	2.2
264.18802	0.6
265.19626	1.6
267.17337	0.6
273.16232	0.6
273.18729	0.6
275.17578	0.9
275.20282	2.8
277.19458	1.4
285.22156	0.5
291.21124	0.9
293.19266	0.7
293.22775	0.6
295.20438	0.7
297.22235	0.5
309.22195	1.1
311.23715	0.8
315.23331	0.9
319.20673	1.0
321.22202	1.5
323.23697	0.9
333.22076	1.0
335.23502	1.0
337.21542	0.6
337.25308	0.9
339.23141	0.8
341.24609	0.6
347.23804	1.4
349.25201	2.3
351.23105	0.9
353.24777	0.9
359.23865	0.7
361.25357	1.1
363.26880	1.4
375.26920	1.4
389.17902	0.6
391.30225	0.9
393.27585	0.6
403.19247	1.3
407.29620	0.8
417.21280	0.7
417.31430	0.7
419.22452	1.1
419.29330	0.8
427.29684	0.7
431.18753	2.1
432.19141	0.9
433.23886	1.9
433.30716	0.6
445.19986	2.8
445.30600	2.3
446.21017	1.8
447.21725	1.5
447.32257	1.4
459.21750	1.1
459.32584	0.9
460.22678	2.6
461.23410	3.4
461.33810	0.7
473.23798	0.8
473.33447	1.0
481.32971	0.7
495.34698	1.0
497.38037	1.2
505.22479	0.6
509.36639	0.9
511.33789	0.8
515.38849	8.4
519.23792	0.9
519.34692	1.0
521.36963	0.6
533.40082	4.9
537.36035	1.4
538.36469	0.7
539.37146	0.7
547.27209	9.5
551.40808	2.2
565.38885	0.6
571.41400	0.9
589.42468	7.4
592.28210	0.6
607.29150	14.9
607.43555	100.0
608.43744	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.6
53.03949	7.9
53.04164	1.1
55.01883	3.1
55.05511	16.9
57.03438	6.6
57.07082	1.9
58.96966	0.9
64.18336	1.3
65.03950	4.3
67.05509	56.1
69.03436	14.3
69.07070	20.7
69.32513	7.1
71.05013	4.3
75.72787	1.0
77.33160	1.1
79.05499	38.3
81.03423	61.2
81.07061	74.5
83.04987	13.0
83.08622	11.4
85.02905	6.2
85.06554	3.1
91.05486	32.8
93.07049	49.7
95.04984	11.3
95.08607	24.0
97.02905	9.4
97.06527	9.7
97.10176	2.8
99.04488	4.2
99.08141	1.8
103.05476	1.0
105.04556	1.5
105.07037	18.2
107.04973	3.8
107.08597	24.6
107.21124	1.2
109.02886	9.2
109.06548	4.0
109.10160	6.5
111.04465	8.5
111.08104	5.0
113.06097	1.8
115.05478	2.0
117.07021	11.6
119.08585	12.6
119.58592	0.9
121.06521	4.9
121.10162	16.0
123.04422	1.2
123.08107	1.6
123.11726	4.8
125.09588	1.3
127.03944	7.3
128.06232	1.5
129.07043	3.2
131.04936	1.5
131.08589	13.4
133.06570	2.4
133.10147	11.8
135.04437	1.2
135.08112	3.7
135.11697	9.1
137.06024	1.3
137.09642	2.1
139.11269	1.2
141.07059	2.0
143.08617	3.2
145.06517	1.5
145.10161	4.4
147.08119	2.3
147.10522	1.6
147.11671	10.8
149.06038	1.4
149.09683	2.2
149.13272	18.5
151.07603	1.3
155.08611	1.5
157.10153	2.9
159.08122	1.3
159.11665	12.1
161.13365	1.1
163.11209	2.6
165.12819	3.7
169.10201	2.1
171.11783	1.5
173.04541	4.4
175.11235	1.2
177.12767	6.2
181.10031	1.2
183.06624	1.4
183.11870	1.9
184.07414	1.4
185.13254	1.1
193.12184	1.2
195.13809	15.7
197.13289	1.5
207.14032	1.2
213.14929	2.6
219.13834	1.3
235.62610	1.0
249.14934	1.4
255.76009	1.1
257.15414	1.3
267.16022	4.8
269.17499	11.9
269.19653	1.0
275.16733	2.2
285.14954	1.3
291.19644	1.3
293.17831	1.0
303.16119	3.2
311.18625	1.5
321.16830	5.2
339.17966	11.7
371.25949	1.4
377.19839	3.4
395.20657	10.1
431.18903	1.4
445.29279	4.9
447.22412	1.6
461.23724	1.6
463.30515	12.0
487.30600	1.2
516.86963	1.0
533.31299	1.4
547.27240	2.4
547.71350	1.0
571.33099	2.6
589.33746	5.9
607.35046	100.0
608.35638	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2912
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
58.31411	0.3
67.36790	0.3
71.09936	0.6
76.56641	0.3
90.84251	0.3
92.63683	0.3
92.81586	0.3
113.92711	0.3
150.49025	0.3
150.59273	0.3
323.13773	0.4
389.17862	0.4
402.18915	0.4
403.19214	1.8
404.20483	0.4
405.20929	0.9
409.12292	0.3
417.16403	0.7
417.21567	1.9
418.21637	1.0
419.22427	2.1
430.17392	0.4
430.22546	0.5
431.18204	5.1
432.19440	1.2
433.19284	0.3
433.24185	4.8
434.25037	0.7
444.19327	0.5
445.19821	5.5
445.29468	0.3
446.20801	2.6
447.21683	2.7
459.21429	2.9
460.22543	7.6
461.23389	7.7
473.23483	2.1
474.24124	0.6
487.24982	1.1
489.22858	0.3
491.24921	0.4
492.25568	0.6
505.21982	1.9
506.26373	0.3
518.23102	0.4
519.24011	1.1
532.24548	0.6
533.25574	0.4
547.27094	21.2
548.27795	0.4
575.26642	0.8
578.25000	0.4
607.29181	100.0
608.29230	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09964	0.7
53.03948	8.8
54.38472	0.8
55.01882	4.1
55.05235	0.9
55.05515	19.4
55.34737	0.7
55.70626	1.0
57.03437	6.7
57.07083	1.5
59.04988	1.1
65.03942	3.8
67.05508	49.0
69.03077	1.4
69.03430	15.3
69.07070	19.0
70.08138	1.8
70.08540	2.7
71.05003	7.0
73.02929	2.0
79.05495	38.2
80.68639	1.0
81.03423	55.1
81.07059	75.9
83.04984	12.3
83.08620	11.9
85.02898	6.9
85.06538	3.5
90.62486	0.8
91.05486	34.5
93.07049	48.4
95.04984	10.5
95.08607	23.8
97.02895	8.9
97.06537	9.7
97.10164	1.7
99.04450	4.3
99.08117	2.1
103.05449	1.0
105.04550	0.9
105.07038	16.0
107.04958	6.3
107.08596	25.2
109.02898	12.0
109.03619	1.4
109.06507	4.2
109.10167	4.7
111.04464	7.5
111.08085	3.6
113.06007	1.1
115.05450	2.2
117.07027	12.7
119.08581	11.6
121.06468	5.1
121.10152	12.4
123.04414	1.5
123.08092	2.8
123.11707	5.5
125.09650	1.0
127.03917	6.6
128.06230	1.0
129.05478	1.3
129.07010	5.1
131.04985	1.3
131.08583	13.4
133.06497	2.2
133.10147	13.6
133.11118	1.6
135.08057	2.5
135.11707	7.1
137.06064	1.3
139.11127	1.6
141.07005	2.3
143.08577	3.3
145.06512	2.9
145.10118	4.8
147.08055	1.8
147.11676	8.5
149.05989	1.3
149.09645	2.0
149.13272	17.5
151.11186	2.5
155.08557	2.6
157.06512	1.3
157.10155	3.1
159.08046	1.8
159.10439	1.4
159.11699	11.8
161.09575	0.9
163.11165	1.7
165.12758	4.0
169.10155	1.3
171.08131	1.5
171.11696	2.1
173.04416	4.8
173.09743	1.2
173.13249	2.3
175.07501	0.9
175.11188	1.3
177.12799	6.1
181.10098	1.7
183.06656	2.1
183.11678	1.1
185.13214	1.1
187.07562	1.2
191.14359	0.9
193.12282	1.5
195.13809	18.5
195.15495	1.4
201.09076	1.0
201.12643	1.3
203.14348	1.2
213.14856	3.2
219.13885	1.2
227.12682	1.1
229.14256	1.9
233.15439	1.4
257.15338	1.0
261.14844	1.6
267.15897	5.0
269.17490	11.2
275.16489	2.4
285.14801	1.6
291.19687	1.3
297.16974	1.4
303.15854	2.7
321.17056	4.8
339.18021	11.4
353.24753	2.0
360.01624	0.9
371.25613	1.2
377.19498	2.5
389.26584	1.5
395.20697	13.3
435.30887	1.3
445.29504	10.7
447.30701	1.1
463.30612	12.7
479.30612	1.4
497.28314	1.1
505.32162	0.9
515.30084	1.0
529.31586	1.3
547.26990	2.8
553.31250	1.3
571.32526	3.3
589.33899	7.4
607.35327	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30235	0.1
57.31992	0.1
62.93721	0.1
70.78746	0.3
70.79084	0.1
80.58244	0.1
81.06940	0.1
120.08048	0.1
132.08098	0.1
137.37415	0.1
140.21707	0.1
154.17099	0.1
168.34311	0.1
209.10605	0.2
210.11526	0.1
221.10666	0.3
223.12326	0.3
224.13162	0.2
233.10783	0.1
273.19217	0.1
299.14145	0.1
300.15076	0.1
314.16449	0.2
324.15314	0.2
339.17072	0.1
377.17535	0.2
387.16275	0.5
388.16855	0.5
389.17596	1.1
390.18607	0.5
391.18994	0.2
392.20020	0.2
401.17743	0.4
402.18494	0.8
403.19290	3.0
404.20016	1.2
405.20850	1.9
415.19812	0.6
416.15955	0.4
416.20959	0.7
417.16571	1.1
417.21487	3.4
418.21832	2.1
419.22443	3.9
420.23135	0.2
429.21698	0.7
430.17828	0.9
430.21994	0.6
431.18143	9.0
432.18646	1.7
432.23920	0.5
433.24136	7.6
434.24716	1.1
443.18643	0.3
444.18341	0.6
444.24332	0.3
445.19843	10.1
446.20825	5.3
447.21631	5.1
449.23303	0.3
458.20987	0.4
459.21463	4.2
460.22577	11.1
461.23380	10.7
462.19830	0.2
462.24597	0.2
472.22998	0.2
473.23599	3.3
474.24438	1.0
475.21179	0.2
476.22214	0.3
477.22931	0.8
487.25403	1.5
488.25616	0.5
489.23492	0.6
491.20480	0.4
491.24503	0.6
492.25131	1.0
493.25702	0.2
501.22989	0.2
503.20551	0.3
504.25699	0.2
505.21988	3.6
506.26703	0.4
515.24316	0.7
517.22217	0.2
518.23102	0.5
519.24194	2.2
532.24945	0.7
533.25391	0.6
546.22363	0.3
547.27069	33.2
548.27460	0.7
549.24805	0.1
563.23450	0.3
564.27228	0.2
575.26215	1.2
577.24957	0.2
578.25201	0.5
579.29718	0.7
592.26282	0.2
607.29163	100.0
608.29602	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	607.2912
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
54.62520	0.3
69.31886	0.9
69.32302	1.6
72.07343	0.3
75.08483	0.3
82.51404	0.3
99.56522	0.3
111.87012	0.3
157.82237	0.3
184.04373	0.3
208.11377	0.3
223.66429	0.3
235.11118	0.3
313.68179	0.4
388.16644	0.4
389.17578	0.8
401.17697	0.5
402.18488	0.7
403.19330	1.8
404.20038	0.4
405.20715	0.9
415.19543	0.4
416.20099	0.4
417.21283	2.0
418.21426	0.9
419.22287	1.2
431.18027	3.9
432.18799	0.5
432.23663	0.6
433.23950	5.4
434.24988	0.4
445.19839	5.9
446.20322	1.5
447.21951	1.9
459.21487	2.4
460.22552	5.6
461.23285	6.9
473.23450	1.7
487.24930	0.8
492.25327	0.6
505.22678	1.0
506.26871	0.4
515.24377	0.7
519.23926	0.6
519.27429	0.6
532.23987	0.5
547.27057	27.8
575.26361	0.7
579.29865	0.6
607.29150	100.0
608.28998	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	0.6
55.01821	0.8
55.05442	1.7
56.27277	0.3
56.47712	0.3
57.03368	0.4
57.07021	0.8
65.03896	0.3
67.05421	5.3
69.06993	2.3
71.04934	0.4
71.08585	0.6
71.54660	0.4
79.05407	4.4
80.05789	0.4
81.03378	0.5
81.06967	5.4
83.04902	0.6
83.08527	1.0
91.05479	5.7
92.05730	0.4
92.58418	0.4
93.07045	4.4
95.04889	1.0
95.08607	3.5
97.06426	1.2
97.10088	0.6
99.08014	0.5
105.07037	6.0
106.07295	0.4
107.04880	0.8
107.08611	2.3
109.06422	0.6
109.10128	1.7
117.06909	1.6
119.08570	4.0
121.10048	1.0
123.07939	0.4
125.09608	0.4
129.06866	1.5
129.07755	0.5
131.08594	2.7
133.10143	3.4
135.11624	0.8
143.08450	1.0
145.10106	1.8
147.11707	2.1
149.09573	0.4
149.13148	0.6
151.11031	0.4
155.08459	0.9
157.10028	0.7
159.11705	1.7
161.13251	0.7
163.11116	0.5
169.10051	0.7
171.11568	1.0
173.13168	0.9
175.14815	0.4
179.14203	0.5
181.10150	0.5
183.11646	0.7
185.13174	0.7
195.11664	0.4
197.13057	0.4
207.13464	0.4
209.10629	0.4
219.17430	1.8
221.10600	0.4
222.11414	0.5
223.14809	0.5
241.19278	0.5
244.34233	0.3
253.14290	0.8
257.18671	0.4
259.20529	0.7
273.18320	0.4
275.20090	3.2
276.20279	0.7
281.17392	0.6
282.17758	0.9
313.27438	0.6
314.27606	0.5
315.23047	0.7
338.96481	0.4
349.23724	0.7
355.15137	0.4
374.15350	0.4
375.15909	1.0
387.16190	0.7
388.16827	1.3
389.17572	3.1
390.18216	1.3
391.19022	0.6
401.17905	0.7
402.14157	0.5
402.18613	1.3
403.19388	5.2
404.20087	2.2
405.20810	2.4
416.16162	1.2
417.16049	4.0
417.20999	2.7
418.17422	0.9
418.21780	1.0
419.17865	0.5
419.22424	7.1
420.23199	0.7
430.17731	1.6
431.18292	7.9
432.19223	3.0
433.19669	2.6
441.17267	0.4
444.19327	0.5
445.20273	7.3
446.21030	7.7
447.21820	8.6
448.23029	0.5
458.21292	0.4
459.17868	1.8
459.22284	1.5
460.17960	0.7
460.23026	1.1
461.19641	1.2
462.24524	0.5
463.24661	1.6
473.18826	0.7
473.24274	0.5
474.20486	9.7
475.21115	11.7
476.21976	0.5
477.23190	0.6
478.23010	0.4
487.21332	2.4
488.21866	0.8
490.23456	1.2
491.20358	1.3
491.24826	1.3
501.22507	1.8
504.21500	0.5
505.22095	1.0
506.23007	0.8
509.36395	0.4
518.23053	0.4
519.24054	12.3
520.24243	0.5
532.20782	0.8
533.39087	0.5
547.23358	60.5
548.23651	1.3
551.27045	0.5
561.25018	1.0
579.26013	4.1
589.24292	0.7
606.48126	0.5
607.25476	100.0
607.43420	8.3
608.25958	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2552
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
58.08154	0.3
70.11681	1.3
83.77525	0.3
87.70361	0.3
94.70164	0.3
101.58826	0.4
136.65332	0.3
157.19167	0.3
161.99791	0.3
197.11095	0.3
209.10861	0.3
286.13232	0.3
341.42242	0.3
355.23245	0.3
377.17966	0.4
387.16312	0.3
388.16684	0.8
389.17560	1.9
389.71832	0.3
390.18536	1.1
391.19324	1.0
401.18103	0.5
402.18799	0.7
403.15570	0.6
403.19513	4.3
404.20053	1.5
404.47842	0.3
405.20895	3.1
406.21136	0.4
416.16101	0.9
417.16208	3.8
417.21188	1.7
418.17197	0.7
418.21799	1.0
419.17780	0.5
419.22470	5.5
420.23068	0.7
430.17453	0.7
431.18225	6.6
431.23621	0.4
432.19147	3.1
433.19724	3.0
445.19974	5.7
446.21039	6.9
447.21732	6.8
448.23148	0.7
459.17282	0.8
459.21948	1.7
460.17908	0.5
460.23038	1.0
461.19299	0.9
461.24387	0.5
462.24194	0.9
463.20752	0.5
473.19141	0.9
473.24167	0.5
474.20404	4.2
475.21201	4.7
477.23056	0.6
478.23297	0.6
487.21301	1.2
490.23407	0.5
491.19870	2.3
501.22955	0.7
505.22534	1.2
517.22803	0.5
519.24091	15.8
520.24707	0.4
532.21643	0.5
533.25311	0.4
547.23230	13.6
548.23767	0.7
579.26056	5.2
579.34772	0.6
581.70697	0.4
589.24231	0.4
607.25476	100.0
608.25897	2.2
614.59235	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05468	0.2
57.03419	0.2
57.07051	0.1
59.65443	0.1
67.05458	0.3
69.03397	0.2
69.07072	0.4
69.26258	0.3
69.26681	0.4
71.01341	0.1
71.05000	0.4
73.02888	0.2
76.95493	0.1
79.05439	0.3
81.03392	0.2
81.07061	0.8
83.04991	0.7
83.08583	0.2
85.02917	1.2
85.03392	0.1
85.06499	0.1
87.00778	0.1
91.05434	0.2
93.07048	0.4
95.01282	0.2
95.04929	0.2
95.08561	0.3
97.02834	0.2
99.04440	0.1
105.07001	0.2
107.08555	0.3
109.02785	0.1
109.06496	0.1
109.10122	0.2
111.04412	0.3
111.08051	0.2
113.02332	0.2
119.08540	0.2
121.10147	0.4
123.11665	0.2
127.03893	0.2
127.07510	0.1
129.05447	0.2
131.03357	0.1
131.08568	0.1
133.06499	0.9
133.10095	0.1
135.04388	0.2
135.11646	0.2
137.13225	0.1
139.11201	0.1
141.01860	0.3
147.11670	0.2
149.09608	0.1
153.01823	1.0
159.02853	0.2
159.04382	0.2
161.09642	0.1
163.11111	0.1
170.06772	0.1
171.02870	0.1
177.05489	0.1
216.78288	0.1
242.05750	9.4
243.06209	0.2
257.08295	0.1
270.05243	9.5
285.07584	100.0
286.07892	0.7
287.23648	0.1
293.24869	0.1
301.07077	0.1
305.24698	0.3
323.25842	0.4
431.13434	0.6
607.16547	1.2
626.87360	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	606.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13731	3.9
55.05497	18.9
57.03429	18.9
57.07084	55.6
64.41321	4.3
67.05511	45.1
68.71474	4.0
69.07071	27.9
70.06012	3.9
71.04977	4.9
71.08644	39.9
71.54221	4.1
76.96268	3.8
79.05506	39.0
80.05793	4.5
81.03408	9.0
81.07063	50.1
83.04967	13.1
83.08619	18.0
85.02905	4.7
85.10184	20.6
91.05475	19.9
93.07047	34.0
95.04952	11.3
95.08601	47.5
97.02870	9.5
97.06505	5.9
97.10166	9.8
101.72093	4.5
105.07023	12.2
107.04970	11.8
107.08593	25.0
109.10180	25.8
111.04441	19.7
117.07068	7.0
118.97929	4.0
119.08571	10.6
121.06548	4.9
121.10150	34.1
123.11676	9.8
125.09581	5.5
131.08580	14.5
133.10123	7.5
135.11690	12.2
145.10138	17.1
149.09587	12.6
163.11044	9.8
167.10706	7.8
173.09654	7.2
173.11652	9.1
191.10657	8.4
209.11688	51.1
227.12845	21.0
241.14432	11.0
265.14420	5.2
275.20004	9.9
283.15439	45.4
301.16443	49.8
313.27362	100.0
315.17993	6.4
387.84637	4.7
433.24368	5.7
461.23666	7.8
467.37115	8.0
521.38428	31.9
539.39368	39.1
547.27350	26.6
553.40997	6.9
588.46918	5.3
606.25702	5.7
606.48224	7.7
607.29517	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	606.4
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.8
51.13050	2.0
53.03946	12.7
55.01864	10.8
55.05513	23.5
57.03434	8.7
57.07081	4.4
63.53071	2.2
65.03925	5.1
67.05505	79.7
67.50969	2.2
69.03432	4.2
69.07069	21.4
69.26462	4.0
69.26783	20.9
71.04972	3.8
79.05497	87.2
79.05963	5.3
81.03416	8.8
81.07056	89.4
81.73634	2.2
83.04983	18.4
83.08617	12.3
85.06550	8.4
91.04902	4.9
91.05480	100.0
93.07040	79.2
95.01334	2.7
95.04974	29.7
95.08614	35.2
97.06525	11.0
99.04456	3.2
103.05451	2.9
105.07032	74.2
107.04958	12.5
107.08594	36.4
109.06518	8.8
109.10157	40.3
111.08076	3.7
113.06005	4.6
117.07022	19.3
119.08578	34.6
121.06539	9.6
121.10154	12.1
123.08035	8.1
123.11707	8.2
127.07577	3.2
128.06221	4.4
129.07007	20.8
131.08560	15.1
133.06482	4.5
133.10139	60.9
135.08051	10.8
135.11687	4.9
143.08572	14.1
145.06540	2.5
145.10124	17.7
147.08052	6.5
147.11694	41.6
149.09622	8.9
151.11183	28.3
157.10146	6.8
159.08022	3.4
159.11708	7.2
161.09605	8.4
161.13278	10.9
163.07530	3.1
171.11700	26.1
173.13280	3.7
174.71811	2.5
175.11186	3.2
177.09067	2.9
179.14378	2.7
183.11684	2.3
189.12782	9.5
196.42303	2.4
207.13766	24.3
225.14799	3.8
227.17998	4.4
245.19069	3.5
251.12804	5.1
253.14342	97.7
255.17351	2.9
257.19220	2.7
263.20102	6.4
273.18494	31.6
275.20093	9.6
276.20358	3.0
281.17496	50.3
291.19553	31.2
314.27701	2.9
347.22189	9.3
349.23849	3.9
365.23184	26.5
431.18567	4.3
445.19998	5.0
447.21899	5.1
474.19980	3.0
475.21048	5.2
477.28485	22.7
519.23724	4.5
547.23029	17.3
553.34784	11.0
571.27832	3.5
571.36346	55.8
588.46643	3.0
606.41351	3.4
607.26208	31.6
607.43048	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	606.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
53.39919	1.4
55.01861	5.8
55.05270	2.1
55.05515	23.5
55.32825	1.4
55.51884	1.6
57.03426	6.8
57.07069	1.8
61.61240	1.4
65.03923	2.8
67.05177	2.4
67.05510	36.2
69.03413	6.2
69.07076	24.8
71.04971	1.7
73.06585	1.6
79.05498	53.5
81.03424	7.4
81.06654	2.3
81.07062	27.4
82.04410	1.4
83.04986	8.5
83.08622	10.3
85.06516	2.2
85.56346	1.4
91.05488	45.7
93.06486	2.0
93.07050	40.5
94.07357	2.6
95.04976	16.2
95.08611	22.0
97.02910	7.2
97.06522	5.7
97.10170	8.9
105.06408	2.3
105.07041	30.7
107.04980	9.7
107.08596	15.6
109.06516	3.5
109.10151	6.3
110.79453	1.5
111.04448	1.6
111.08109	1.5
117.07011	7.5
119.08592	19.6
121.06499	4.7
121.10143	5.1
121.20193	1.4
122.61480	1.5
123.08044	5.1
125.09636	9.0
127.07570	1.7
129.07010	9.3
131.08545	7.2
133.06473	3.3
133.10124	9.8
135.08037	3.9
135.11681	3.4
143.08548	7.6
145.10089	8.9
147.08029	6.2
147.11716	19.3
153.09120	1.6
159.11696	2.9
161.09598	5.2
161.13249	5.7
171.11691	13.9
189.11139	4.1
189.12723	3.8
195.13773	1.6
197.76129	1.3
207.13788	13.7
223.13318	15.7
227.12778	4.7
249.14934	2.8
273.18527	16.1
281.17487	49.5
291.19553	100.0
365.23254	36.2
405.76276	1.7
431.18484	2.1
432.19000	1.6
461.24036	1.7
473.28683	3.3
547.26917	2.0
553.34851	2.2
571.36346	94.6
606.25012	1.6
606.43500	3.5
607.29449	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	605.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87835	4.2
53.03950	4.3
55.01862	15.1
55.05514	23.4
56.43821	3.5
57.03429	6.1
57.07082	28.9
66.59795	3.2
67.05505	43.9
69.07069	23.8
69.15164	32.3
71.08644	21.9
79.05502	22.9
81.03391	4.2
81.07062	56.7
83.04987	5.6
83.08611	12.0
85.10179	10.2
91.05481	42.9
93.07031	25.2
95.01333	6.7
95.04963	7.1
95.08611	36.2
97.06538	25.1
97.10165	9.5
102.40691	3.7
105.06384	6.8
105.07028	69.2
107.04939	13.5
107.08588	17.7
109.10136	13.5
117.07020	12.2
119.08578	24.6
121.06548	7.1
121.10154	7.6
131.08565	13.1
133.10130	32.0
135.08099	4.0
145.10086	12.7
147.11699	11.8
149.09625	6.9
159.11694	9.0
177.12729	4.3
179.14326	11.7
257.19028	7.7
275.20068	74.8
293.21118	17.2
303.39923	4.3
313.27365	42.0
349.23679	17.2
398.08044	4.0
493.38974	10.7
499.09024	3.8
587.46722	100.0
605.47748	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	605.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
55.01871	13.9
55.05517	33.5
57.03434	15.0
57.07080	63.0
65.03947	4.5
67.05507	64.8
69.06725	3.1
69.07072	37.7
69.26936	8.4
69.27366	9.5
71.04985	5.6
71.08636	37.5
79.05063	3.8
79.05492	52.0
81.03415	5.9
81.07058	73.0
83.04974	8.1
83.08618	25.4
85.06532	6.0
85.10180	19.0
89.06026	2.0
91.05486	50.2
93.07041	52.0
93.21368	2.2
95.04971	7.1
95.08612	60.6
97.06518	17.1
97.10165	16.6
105.07032	42.3
107.04938	11.3
107.08596	44.9
109.06509	6.0
109.10168	28.0
109.59904	2.1
111.08115	3.4
113.00033	4.7
114.13946	1.9
115.05451	2.4
117.07014	15.1
119.08582	29.0
121.06517	6.5
121.10151	15.5
123.08072	3.6
123.11690	8.6
125.09656	6.8
129.07024	6.6
131.08563	23.9
133.10133	26.5
135.08037	3.3
135.11678	16.7
137.09694	2.9
137.13194	3.9
143.08543	8.0
145.10133	28.8
147.11662	16.4
149.09639	18.1
149.13254	3.5
151.11255	4.0
157.10135	4.6
159.11690	18.5
161.09639	2.0
161.13217	4.1
163.11195	9.5
169.02641	4.9
169.10138	4.5
171.11565	4.2
173.13281	6.5
175.14798	2.8
177.12807	2.8
181.12172	2.9
182.10954	2.2
183.11714	4.7
185.13271	9.3
187.11150	2.0
187.14772	3.2
189.11203	4.5
191.98889	2.0
203.14368	7.9
215.17966	2.7
219.17436	10.0
227.12793	21.5
229.19534	6.1
239.17950	4.9
239.23662	8.2
247.20485	5.4
251.19945	2.9
257.18958	18.9
275.20068	100.0
293.21210	10.2
313.27374	84.5
331.22696	7.1
349.23721	64.1
483.36890	4.0
491.40695	2.9
493.38861	57.8
494.39233	2.7
507.40530	23.0
587.46729	51.5
605.38525	2.9
605.47656	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	605.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72565	2.4
53.03947	4.3
55.01884	12.3
55.05516	29.2
57.03424	6.9
57.07081	43.9
65.03943	5.6
67.05511	57.8
69.07074	23.3
69.41321	14.4
71.04987	3.9
71.08633	31.8
79.05499	48.3
81.03442	4.1
81.07062	72.0
83.04985	5.6
83.08624	21.2
85.06542	4.1
85.10200	11.4
87.04458	2.0
91.05490	36.2
93.07053	36.4
95.04960	8.0
95.08614	52.8
97.06532	14.3
97.10181	11.9
99.08101	2.6
100.88713	2.0
103.05468	2.4
105.07036	34.4
107.04958	17.2
107.08601	38.5
109.06519	11.3
109.10162	27.8
111.08100	3.9
115.05502	1.9
117.07055	10.2
119.08578	28.9
121.06577	3.3
121.10149	16.2
123.08065	3.9
123.11735	9.4
125.09634	7.8
129.06978	2.9
131.08580	17.2
133.10141	19.7
135.08047	7.3
135.11690	6.1
137.09622	3.8
137.13313	2.7
138.46941	1.9
139.11186	3.1
143.08524	4.6
145.06532	1.8
145.10115	21.5
147.11707	17.1
149.09633	20.9
149.13235	4.2
151.11218	2.1
155.08511	2.3
157.10153	4.2
159.11765	9.3
161.13301	7.1
163.11176	6.2
165.12752	4.9
169.10081	2.9
171.11635	4.4
173.11775	3.2
173.13286	4.7
175.11092	2.9
177.12732	4.1
183.11777	4.2
189.11218	6.2
197.13232	2.9
205.46750	2.0
227.12840	14.7
229.19397	4.0
239.17896	4.9
239.23688	5.9
241.14409	2.9
247.20410	4.7
257.19052	13.9
267.16000	2.4
275.20093	100.0
276.20596	2.5
293.21329	13.0
313.27390	66.6
331.22769	5.0
349.23743	41.5
361.84442	2.0
373.41238	1.9
587.46906	49.0
605.24133	2.7
605.48297	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	605.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	7.9
55.01860	3.4
55.05509	10.1
57.03441	12.8
57.05069	1.5
57.14683	1.5
57.38797	1.5
57.42665	1.7
59.61737	1.4
61.02932	29.2
67.05509	26.6
69.03439	23.6
69.07073	11.2
70.06598	1.7
71.01346	2.2
71.04975	5.0
73.02922	10.5
79.05499	39.9
81.03422	23.1
81.07058	25.9
83.04995	9.2
83.08618	5.2
84.48637	1.4
84.63904	1.4
85.02911	36.5
85.06551	2.9
87.04486	2.4
91.03962	11.8
91.05486	35.4
93.07047	44.0
95.04977	15.0
95.08614	18.8
97.02902	26.2
97.06530	3.8
97.10226	2.0
99.04462	6.4
101.02398	3.5
103.03944	5.0
105.04521	2.1
105.07040	29.4
107.04948	7.7
107.08598	14.0
109.02893	8.0
109.06531	6.5
109.10159	6.5
111.08061	2.7
115.03945	2.6
115.05492	2.8
115.09639	1.7
117.07018	10.1
119.04956	2.3
119.08590	16.8
121.06506	4.4
121.10158	5.8
123.04414	1.9
123.08049	3.8
125.09631	2.3
127.03931	15.7
127.07529	1.7
128.06230	2.4
129.05482	3.2
129.07010	13.8
131.08601	10.1
133.06516	6.0
133.10141	8.6
135.08073	2.6
135.11673	3.1
141.06967	2.5
143.08603	9.1
145.04965	5.9
145.06424	2.2
145.10132	8.8
147.08063	5.2
147.11708	23.2
155.08594	1.9
157.06563	2.5
157.10193	1.8
159.08055	2.5
159.11690	2.6
161.09616	3.6
161.13260	8.6
163.06064	1.8
163.11192	1.6
169.10126	1.8
171.08046	3.1
171.11702	21.1
173.04469	5.5
179.14285	1.7
183.06529	2.1
183.11673	2.1
185.13292	2.2
189.12740	8.8
197.13280	2.4
207.13809	31.4
225.14844	3.2
241.15904	2.6
257.15555	2.0
259.16928	3.2
269.15363	4.4
279.15884	1.7
281.17496	100.0
287.16528	6.9
295.19046	3.5
309.17004	4.3
321.24304	3.1
323.18533	4.7
339.25223	4.8
343.18939	3.8
355.72723	1.7
361.20108	12.6
389.19302	4.0
407.20663	5.3
425.21844	15.1
443.22864	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	605.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.2
57.03429	0.2
57.07076	0.5
67.05497	0.6
69.07055	0.4
71.08629	0.4
71.19167	0.2
79.05493	0.5
81.07069	1.1
83.08619	0.4
85.10151	0.3
87.04427	0.1
91.05480	0.4
93.07035	0.4
95.08617	0.5
97.10137	0.2
105.07056	0.5
107.08594	0.4
109.10187	0.2
119.08590	0.4
121.10155	0.2
123.11675	0.1
133.10144	0.3
134.90155	0.1
147.11708	0.3
149.09715	0.2
193.14139	0.1
221.10844	0.2
275.20139	0.4
313.27563	0.4
349.23807	0.6
374.16367	0.2
388.18167	0.3
389.18042	0.2
398.16608	0.2
399.16306	0.3
400.16998	0.3
401.17542	0.7
402.19208	0.5
403.19925	0.2
404.21002	0.3
412.17905	0.2
413.17770	0.8
414.18375	1.1
415.19235	4.0
416.20065	1.8
417.21048	0.5
427.19406	0.6
428.20062	1.1
429.20880	7.3
430.16299	0.3
430.21655	4.3
431.22556	1.2
433.23898	0.4
441.21796	0.2
442.21869	0.6
443.22702	4.4
444.23605	6.3
445.24277	4.6
446.24789	0.2
448.26001	0.7
455.18561	0.3
456.19577	0.4
457.20139	1.2
457.24603	0.8
458.25830	1.9
459.21457	2.3
459.25797	2.9
460.22095	0.3
461.23605	0.2
469.19919	0.2
470.21002	0.5
471.21930	1.1
472.22635	3.3
473.23560	5.4
474.24576	2.0
475.21518	0.4
476.22333	0.6
483.18619	0.2
485.23563	3.2
486.24304	1.7
487.25006	20.6
488.26221	1.4
489.22928	0.9
490.23511	0.5
500.22296	0.5
501.23499	0.3
502.24231	0.3
503.24622	2.4
504.25214	0.6
513.22870	0.7
514.23737	0.3
517.26428	2.9
518.22589	0.7
519.23572	0.2
529.25958	0.3
530.23218	0.2
531.24188	0.6
532.24896	0.3
545.25525	19.2
546.26202	3.6
573.25018	1.7
577.27887	0.6
587.46912	0.3
590.25366	0.5
605.27612	100.0
606.28082	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	605.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03404	0.5
58.38442	0.1
60.08147	0.1
61.02899	0.2
63.06371	0.1
67.01845	0.3
67.05487	0.3
68.99775	0.3
69.03395	0.4
69.03728	0.1
69.07059	0.2
71.04996	3.5
71.38113	0.2
73.02897	0.2
79.05452	0.2
81.03378	0.2
81.07036	0.5
83.04980	0.2
85.02909	4.3
85.03427	0.3
85.06522	0.2
91.05441	0.6
93.07006	0.4
95.04942	0.4
95.08582	0.4
97.02892	0.3
97.06503	0.2
103.05447	0.6
105.07001	0.6
107.08559	0.3
109.02819	0.2
109.06546	0.1
109.10150	0.3
111.08042	0.2
115.05433	0.4
117.07031	1.4
119.04923	0.3
119.08558	0.3
121.10107	0.3
127.03909	0.2
129.01836	0.2
129.05479	0.9
129.07007	0.3
130.06517	0.7
131.04872	0.7
135.11649	0.2
137.05984	1.2
139.11165	0.2
144.05812	0.2
145.06490	3.1
147.04411	0.5
147.06465	0.2
147.11665	0.2
153.01834	7.0
154.06552	0.3
155.06036	1.4
156.08034	0.4
161.05916	0.2
167.07022	0.1
167.10657	0.2
171.02864	0.6
171.04355	0.6
180.08084	0.3
185.13214	0.2
200.07001	0.3
225.12596	0.2
229.08678	0.2
251.06990	0.5
255.06485	0.2
269.08142	0.5
279.06552	0.3
287.88477	0.1
297.07574	100.0
298.07925	0.5
303.23123	0.2
308.17114	0.2
321.24237	0.5
339.25137	0.2
381.27762	0.2
425.27057	0.2
443.28159	0.2
459.12869	20.8
541.70215	0.2
546.21350	2.8
605.18298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.8
55.01861	8.4
55.05515	60.1
57.03447	13.6
57.07076	42.6
65.03943	5.1
67.05509	68.9
67.28024	1.9
69.03417	3.7
69.06732	3.2
69.07076	44.8
69.98743	1.8
71.04977	4.1
71.08638	29.4
71.32003	3.8
73.05818	1.9
76.75433	2.1
77.03940	2.5
79.05067	3.0
79.05500	51.1
79.05962	2.5
81.03401	3.2
81.07064	62.4
82.71078	2.1
83.04973	6.2
83.08625	36.7
85.06521	6.2
85.10177	14.9
91.05487	84.5
93.06477	3.2
93.07050	48.9
95.04967	11.9
95.08613	57.7
97.06551	10.7
97.10178	22.6
99.08073	4.5
103.05462	4.2
103.65264	1.8
105.04551	2.0
105.07040	62.4
107.04945	6.8
107.06071	1.9
107.08605	25.1
109.06516	13.0
109.10168	21.5
111.08057	4.1
111.11706	3.5
113.00008	2.3
113.05993	4.2
115.05457	10.9
116.06226	5.7
117.07031	47.4
119.08591	34.3
121.06512	7.5
121.10138	16.9
123.08102	9.6
123.11675	5.5
125.09636	5.2
128.06236	32.0
129.07022	31.6
130.07794	11.9
131.08582	90.1
133.06511	5.4
133.10132	25.7
135.08052	9.4
135.11691	11.5
137.09598	3.2
137.13304	2.5
139.11215	2.8
141.07051	12.0
142.07771	8.1
143.08569	100.0
144.09258	4.6
145.06479	3.5
145.10130	97.0
147.08090	9.8
147.11696	8.5
149.09621	7.4
149.13223	4.4
153.06934	2.5
154.07782	2.6
155.06055	2.4
155.08557	12.6
157.10132	29.4
159.08069	3.4
159.11708	22.8
161.09653	11.7
161.13275	3.9
163.11147	4.9
165.06982	3.5
165.12749	3.4
166.07756	2.4
167.08571	3.2
169.10132	19.6
171.11696	21.1
173.09586	2.4
173.13237	4.3
175.11217	5.6
177.09177	2.4
177.12721	6.4
181.10126	13.3
183.11687	12.1
185.09505	2.4
185.13300	7.5
187.14818	2.4
189.12665	2.4
195.11710	24.4
197.13399	3.0
199.14717	2.9
201.12874	2.6
209.13271	3.5
211.14871	3.1
213.12814	4.6
217.15831	3.5
220.42035	1.9
227.12697	2.2
227.17943	8.6
233.15291	2.4
237.16360	23.5
237.22174	3.8
239.23680	3.4
241.14290	3.0
245.19077	5.6
251.85938	2.3
255.17509	21.8
259.20581	7.4
273.18500	70.1
275.20050	6.8
291.19611	22.1
311.26065	4.1
313.27371	92.2
327.28772	5.0
329.21054	6.8
333.24554	2.5
347.22153	31.6
349.23798	3.4
404.25296	2.2
491.37256	38.6
505.39035	13.0
585.45251	33.6
603.45984	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	603.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.2
53.96387	1.6
55.01864	6.9
55.05513	22.9
57.03426	2.5
57.07054	2.4
58.08109	1.9
59.07402	1.7
65.03927	2.3
67.05173	3.4
67.05505	41.8
68.75410	1.8
69.03454	2.2
69.06721	2.6
69.07069	23.0
71.04977	6.7
71.08155	4.3
71.08542	2.3
74.78819	1.8
79.05498	38.3
81.03391	5.0
81.06584	3.0
81.07062	61.0
83.04980	7.6
83.08627	13.0
85.06562	4.3
91.05490	41.1
93.07047	38.3
95.04988	9.6
95.08607	32.6
97.06531	8.5
97.10168	7.0
103.05463	2.3
105.07039	44.2
107.04956	5.8
107.08588	24.8
109.06503	9.1
109.10153	14.5
111.08065	4.0
113.06002	2.0
115.05348	1.8
117.07024	14.1
119.07790	3.4
119.08586	35.6
121.06506	3.8
121.10136	17.3
123.04417	1.9
123.08065	6.1
123.11700	4.7
125.09633	6.9
129.07007	6.9
131.08551	19.1
133.06520	2.7
133.10135	39.6
135.08051	3.2
135.11681	12.9
137.09698	2.9
141.06955	3.6
143.08556	6.8
145.10127	19.7
147.08055	2.4
147.11684	18.4
149.09642	10.7
149.13264	6.5
151.11171	4.3
155.08504	3.3
157.10130	5.5
159.11691	19.9
161.09637	2.1
161.13223	6.7
163.11217	6.0
165.12842	3.0
169.10112	3.7
171.11723	6.1
173.09648	2.3
173.13303	6.5
175.11180	2.3
176.65132	2.0
177.12770	4.5
181.10294	1.7
181.12193	3.6
183.11665	3.1
185.13261	4.3
189.11195	2.4
195.13750	8.7
197.13301	3.8
211.13144	2.8
211.14957	2.2
227.12869	2.3
229.19495	4.5
235.16960	3.4
239.17969	4.5
247.20557	2.2
257.19012	9.1
259.20789	2.2
265.21539	2.2
275.20081	100.0
291.19437	2.2
293.21164	20.7
326.73035	1.9
397.30832	2.6
445.07358	2.0
487.33450	2.0
567.39532	2.2
585.40277	2.5
612.76349	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	602.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	4.5
58.06589	1.7
62.53706	0.6
65.03951	0.7
67.05511	1.0
70.06599	17.1
71.08643	3.0
71.54114	0.9
77.57425	0.6
79.05495	0.8
81.07070	1.0
88.07638	21.4
91.03992	0.6
91.05473	1.1
96.23890	0.7
102.09185	14.0
119.08502	0.6
149.02356	31.9
149.03360	1.4
156.17473	1.0
175.03922	1.2
177.05496	1.2
193.04970	40.2
200.20111	51.8
219.06526	1.5
225.05566	0.9
237.07613	11.3
297.04065	1.7
313.07080	2.2
341.06512	8.6
343.07712	0.7
359.07693	6.4
374.58670	0.7
385.09192	17.2
429.11865	26.4
584.28650	1.1
602.29608	100.0
603.30231	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.9
55.01860	7.8
55.05515	57.7
57.03428	12.4
57.07080	22.1
65.03943	4.5
66.71508	2.6
67.05508	45.8
69.07073	51.7
71.05001	3.4
71.08618	9.8
71.09045	5.3
72.24305	3.2
79.05496	33.6
81.03375	3.5
81.07055	45.0
83.05006	5.4
83.08628	40.7
85.06515	4.7
85.10187	6.9
91.05485	58.0
93.07045	36.2
95.04963	9.4
95.08624	36.0
97.06544	6.4
97.10177	29.9
105.06392	4.5
105.07039	50.1
107.08599	18.2
107.99458	3.3
109.06524	14.4
109.10143	11.4
111.08105	3.5
111.11717	7.2
113.06021	4.0
115.05472	4.2
116.06252	3.5
117.07013	28.3
119.08586	25.9
121.06523	4.8
121.10137	16.1
123.08043	5.5
123.11675	5.5
125.09652	6.8
128.06236	19.0
129.07013	26.4
130.07773	10.7
130.55638	2.7
131.08586	54.2
131.41328	2.9
133.06494	6.9
133.10135	15.2
135.08049	7.6
135.11674	10.8
137.09584	3.2
141.06961	10.4
142.07791	5.6
143.08571	71.3
145.10133	66.9
147.08025	8.5
147.11690	7.2
155.08549	7.6
157.10147	19.9
159.08029	3.6
159.11696	12.1
161.09584	10.4
167.08575	3.7
169.10115	9.7
171.11682	18.3
173.09619	3.1
175.11197	6.9
181.10149	9.0
183.11690	6.4
185.13242	6.0
195.11681	19.6
199.11215	4.8
199.14877	4.1
201.12753	3.5
213.12891	3.6
227.18002	6.8
237.16321	11.7
237.22128	7.7
255.17413	15.0
273.18515	49.0
289.17999	4.2
291.19492	11.0
311.25806	100.0
323.44394	3.6
329.21097	4.0
347.22177	27.9
489.35660	15.0
583.43585	37.5
601.44012	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	601.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.8
53.03943	6.1
55.01877	4.6
55.05520	17.2
55.05742	3.4
57.07088	16.1
58.97516	2.4
59.04988	4.6
65.03949	6.1
67.05508	43.5
69.03424	15.7
69.07069	28.8
71.04992	6.6
71.08644	7.5
71.53630	3.1
73.06522	2.8
77.03933	3.6
79.05499	38.2
80.64925	2.3
81.03406	5.7
81.07055	44.5
83.04993	22.0
83.08631	16.5
85.06528	3.9
85.10163	2.6
87.04466	8.3
89.06035	14.9
91.05482	58.4
92.05822	2.8
93.07050	76.5
95.04977	24.8
95.08617	40.3
97.06549	14.7
97.07069	2.5
103.05476	6.2
105.04504	4.9
105.07040	100.0
106.07340	7.1
107.04966	4.6
107.08604	83.3
107.32580	2.5
109.06535	17.5
109.10159	37.7
110.10532	2.8
111.08088	6.8
113.09663	5.9
115.05453	10.9
117.07027	21.8
119.08588	96.3
120.08885	4.3
121.06515	11.3
121.10152	93.0
122.10465	3.3
123.08075	17.6
123.11697	9.9
125.09609	14.2
128.06267	15.6
129.07040	20.7
130.07820	6.2
131.08582	52.5
133.06493	5.4
133.08585	7.1
133.10147	57.5
133.65309	2.6
135.08069	20.2
135.11700	20.4
137.09584	11.3
139.11143	7.3
141.07013	8.3
142.07793	24.4
143.08574	41.0
144.09320	10.5
145.06447	4.6
145.09056	4.8
145.10138	71.0
146.10611	4.9
147.08067	15.0
147.11702	25.4
149.09624	19.6
149.13287	5.1
151.07536	5.6
154.07822	3.2
155.08565	18.6
155.10663	8.0
156.09343	17.0
157.10146	57.2
158.10800	9.5
159.08093	19.2
159.11702	42.8
160.08699	3.6
160.12079	4.9
161.09641	15.4
161.13258	10.2
163.11166	10.4
165.07018	7.9
165.09109	9.8
167.08572	10.1
167.10687	58.4
168.09309	8.5
169.10153	34.3
170.10829	5.6
171.11676	37.0
172.12199	5.3
173.09573	7.4
173.13261	24.0
175.11168	11.3
175.14799	15.4
177.09122	2.5
179.08586	10.5
179.10542	2.8
180.09319	6.7
181.10085	17.1
181.12274	6.3
182.10844	11.6
183.11688	27.5
184.12338	5.6
185.09677	4.4
185.13243	22.1
187.11150	7.0
187.14799	10.2
189.12724	9.4
191.14378	6.7
192.09454	4.8
193.10129	14.2
194.10811	9.0
195.11719	23.0
196.12361	8.0
197.13306	26.8
198.13728	5.3
199.11212	5.7
199.14836	15.8
201.12729	7.8
201.16406	5.4
203.14354	4.6
205.10130	4.2
206.10898	5.7
207.11691	17.6
207.13589	5.1
208.12410	10.4
209.13283	23.5
209.15167	4.5
210.13905	3.8
211.11182	4.7
211.14784	12.8
212.15318	4.3
213.12761	6.4
213.16357	6.2
214.16820	2.7
215.14273	6.1
217.10136	4.4
217.15889	9.6
219.11638	2.6
219.17358	3.4
220.12428	7.0
221.13223	14.6
221.15379	15.7
222.13831	6.2
223.14781	17.2
224.15517	4.2
225.12787	5.4
225.16400	11.4
227.14415	5.6
229.15947	3.9
231.11554	4.3
233.13197	7.0
233.15356	32.4
234.13847	4.4
234.15967	6.1
235.14743	10.0
237.16396	10.1
238.16881	3.9
239.14297	3.6
239.18031	6.1
245.13391	3.1
247.14684	6.1
249.16454	8.8
250.16582	3.2
251.17973	5.9
253.19562	4.1
255.17325	6.4
256.17673	5.4
257.18954	4.9
258.13889	3.3
261.16379	5.3
263.17969	5.4
265.19547	6.3
267.17487	5.2
269.18936	10.9
273.18628	4.2
275.17831	5.2
278.16071	2.8
281.19022	3.1
283.20538	7.6
285.18668	3.2
287.20215	3.9
289.19513	4.0
291.17377	2.8
295.20319	4.4
299.20123	4.0
343.24020	3.1
353.24261	3.1
361.25122	3.2
415.25204	3.9
473.34274	3.3
541.24518	4.1
565.40668	3.8
583.41321	15.0
601.41638	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	601.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.8
53.03943	6.1
55.01877	4.6
55.05520	17.2
55.05742	3.4
57.07088	16.1
58.97516	2.4
59.04988	4.6
65.03949	6.1
67.05508	43.5
69.03424	15.7
69.07069	28.8
71.04992	6.6
71.08644	7.5
71.53630	3.1
73.06522	2.8
77.03933	3.6
79.05499	38.2
80.64925	2.3
81.03406	5.7
81.07055	44.5
83.04993	22.0
83.08631	16.5
85.06528	3.9
85.10163	2.6
87.04466	8.3
89.06035	14.9
91.05482	58.4
92.05822	2.8
93.07050	76.5
95.04977	24.8
95.08617	40.3
97.06549	14.7
97.07069	2.5
103.05476	6.2
105.04504	4.9
105.07040	100.0
106.07340	7.1
107.04966	4.6
107.08604	83.3
107.32580	2.5
109.06535	17.5
109.10159	37.7
110.10532	2.8
111.08088	6.8
113.09663	5.9
115.05453	10.9
117.07027	21.8
119.08588	96.3
120.08885	4.3
121.06515	11.3
121.10152	93.0
122.10465	3.3
123.08075	17.6
123.11697	9.9
125.09609	14.2
128.06267	15.6
129.07040	20.7
130.07820	6.2
131.08582	52.5
133.06493	5.4
133.08585	7.1
133.10147	57.5
133.65309	2.6
135.08069	20.2
135.11700	20.4
137.09584	11.3
139.11143	7.3
141.07013	8.3
142.07793	24.4
143.08574	41.0
144.09320	10.5
145.06447	4.6
145.09056	4.8
145.10138	71.0
146.10611	4.9
147.08067	15.0
147.11702	25.4
149.09624	19.6
149.13287	5.1
151.07536	5.6
154.07822	3.2
155.08565	18.6
155.10663	8.0
156.09343	17.0
157.10146	57.2
158.10800	9.5
159.08093	19.2
159.11702	42.8
160.08699	3.6
160.12079	4.9
161.09641	15.4
161.13258	10.2
163.11166	10.4
165.07018	7.9
165.09109	9.8
167.08572	10.1
167.10687	58.4
168.09309	8.5
169.10153	34.3
170.10829	5.6
171.11676	37.0
172.12199	5.3
173.09573	7.4
173.13261	24.0
175.11168	11.3
175.14799	15.4
177.09122	2.5
179.08586	10.5
179.10542	2.8
180.09319	6.7
181.10085	17.1
181.12274	6.3
182.10844	11.6
183.11688	27.5
184.12338	5.6
185.09677	4.4
185.13243	22.1
187.11150	7.0
187.14799	10.2
189.12724	9.4
191.14378	6.7
192.09454	4.8
193.10129	14.2
194.10811	9.0
195.11719	23.0
196.12361	8.0
197.13306	26.8
198.13728	5.3
199.11212	5.7
199.14836	15.8
201.12729	7.8
201.16406	5.4
203.14354	4.6
205.10130	4.2
206.10898	5.7
207.11691	17.6
207.13589	5.1
208.12410	10.4
209.13283	23.5
209.15167	4.5
210.13905	3.8
211.11182	4.7
211.14784	12.8
212.15318	4.3
213.12761	6.4
213.16357	6.2
214.16820	2.7
215.14273	6.1
217.10136	4.4
217.15889	9.6
219.11638	2.6
219.17358	3.4
220.12428	7.0
221.13223	14.6
221.15379	15.7
222.13831	6.2
223.14781	17.2
224.15517	4.2
225.12787	5.4
225.16400	11.4
227.14415	5.6
229.15947	3.9
231.11554	4.3
233.13197	7.0
233.15356	32.4
234.13847	4.4
234.15967	6.1
235.14743	10.0
237.16396	10.1
238.16881	3.9
239.14297	3.6
239.18031	6.1
245.13391	3.1
247.14684	6.1
249.16454	8.8
250.16582	3.2
251.17973	5.9
253.19562	4.1
255.17325	6.4
256.17673	5.4
257.18954	4.9
258.13889	3.3
261.16379	5.3
263.17969	5.4
265.19547	6.3
267.17487	5.2
269.18936	10.9
273.18628	4.2
275.17831	5.2
278.16071	2.8
281.19022	3.1
283.20538	7.6
285.18668	3.2
287.20215	3.9
289.19513	4.0
291.17377	2.8
295.20319	4.4
299.20123	4.0
343.24020	3.1
353.24261	3.1
361.25122	3.2
415.25204	3.9
473.34274	3.3
541.24518	4.1
565.40668	3.8
583.41321	15.0
601.41638	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	601.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.8
55.01880	2.8
55.05270	2.0
55.05516	22.7
57.07085	9.6
57.72791	1.7
59.04993	4.4
65.03941	5.6
67.05509	34.7
69.03434	12.7
69.07073	21.0
71.05000	4.3
74.49641	1.8
77.03934	2.3
78.36868	1.8
79.05501	42.3
81.03404	3.7
81.07062	47.3
82.07395	2.6
83.04982	22.8
83.08611	15.8
85.02869	2.0
85.06541	5.2
87.04471	6.1
89.06041	4.4
91.05486	58.7
92.05817	2.4
93.07050	80.9
94.07392	2.7
95.04974	24.3
95.08610	45.4
97.06526	16.6
97.10159	5.8
103.05486	4.6
105.04530	1.7
105.07043	100.0
106.07337	6.6
107.04967	4.0
107.08607	78.5
108.08923	6.0
109.06544	16.7
109.10160	40.2
111.08102	7.6
111.11765	1.8
113.09634	5.5
115.05460	6.6
116.06178	1.9
117.07023	29.8
119.08591	92.5
120.08931	6.4
121.06517	14.9
121.10152	85.3
122.10443	3.5
123.08071	17.6
123.11713	8.1
124.08425	4.3
125.05997	3.6
125.09677	13.4
128.06221	14.4
129.07024	25.0
130.07851	9.7
131.08586	43.8
132.08931	3.3
133.06537	3.3
133.08624	3.8
133.10139	65.6
134.08969	2.0
134.10484	3.9
135.08089	16.8
135.11688	21.9
136.11952	2.1
137.09634	8.1
139.11186	7.3
141.07034	9.2
142.07805	24.1
143.08594	43.5
144.09288	13.4
145.06487	2.9
145.10139	82.6
145.11304	4.2
146.10526	6.1
147.08049	13.9
147.11681	24.8
148.12000	1.8
149.09642	21.3
149.13260	5.8
150.09979	2.0
151.07535	6.8
151.11150	4.2
153.06987	5.0
154.07686	4.6
155.06020	2.5
155.08572	23.8
155.10680	7.0
156.09375	19.2
157.10144	55.5
158.07379	1.9
158.10802	11.0
159.08083	18.7
159.11713	38.9
160.08627	3.1
160.12090	4.4
161.09673	12.8
161.13272	9.0
163.11177	12.0
163.14824	2.3
165.06993	5.6
165.09154	8.2
166.07761	3.7
167.08652	10.6
167.10687	58.0
168.09264	6.6
169.10161	31.8
170.10857	11.7
171.08121	3.4
171.11693	37.1
172.08755	2.4
172.12206	8.2
173.09612	6.2
173.13257	22.8
174.13651	2.4
175.11194	12.8
175.14792	15.3
176.11601	2.3
179.08582	10.7
179.14291	2.6
180.09290	7.5
181.10159	18.2
181.12256	6.4
182.10832	11.0
183.11714	28.5
184.12276	7.6
185.09618	4.5
185.13263	22.4
186.13829	4.0
187.11186	6.9
187.14786	13.2
189.12758	8.4
189.16466	1.8
191.08553	2.8
191.14308	6.4
192.09355	6.0
193.10210	11.8
194.10851	7.7
195.11693	24.8
196.12440	13.1
197.09570	4.4
197.13264	27.5
198.13725	6.4
199.11177	5.6
199.14867	15.4
200.15291	4.2
201.12766	4.8
201.16431	3.8
203.14328	8.0
205.10132	4.2
205.16083	2.6
206.10941	7.8
207.11786	17.5
207.13681	2.7
208.12369	8.4
209.09714	2.1
209.13281	27.1
209.15201	3.8
210.13820	8.5
211.11154	3.4
211.14821	20.8
212.12062	2.0
212.15366	4.3
213.12772	5.1
213.16415	5.6
215.14363	8.1
217.10011	3.0
217.15897	6.3
218.10905	2.7
219.11618	4.8
219.13692	3.1
219.17372	2.6
220.12357	4.9
221.13202	14.1
221.15416	21.8
222.13907	5.1
222.15768	2.6
223.11234	2.3
223.14806	17.9
224.15509	4.2
225.12817	4.5
225.16360	7.4
227.14311	6.6
227.17989	3.2
230.10966	2.3
231.11610	4.6
231.17448	2.3
232.12527	3.3
233.13219	5.4
233.15350	31.6
234.13840	3.7
234.15906	5.5
235.14836	9.8
235.16937	3.4
236.15404	4.6
237.12843	3.0
237.16425	10.1
239.14320	3.9
239.17984	4.6
241.15874	3.3
245.13205	6.0
246.13889	3.5
247.14848	5.1
248.15442	5.4
249.16447	6.6
250.16956	2.4
251.14308	3.5
251.18044	5.5
252.18399	2.5
253.15918	2.7
253.19630	4.2
254.16206	2.3
255.17508	9.2
256.17752	6.1
257.19049	2.2
259.14825	7.6
260.15436	3.1
261.16379	8.8
262.16888	3.1
263.17972	4.9
265.19476	6.9
269.19046	9.8
270.19614	3.3
271.20374	4.5
273.16132	3.3
273.18692	4.0
274.16742	2.5
275.17990	6.0
277.19617	4.6
279.17535	2.7
279.20694	1.9
281.19092	4.5
282.19489	3.4
283.20541	7.5
285.18753	2.6
287.20145	3.5
291.17230	2.4
295.20383	5.5
297.22070	3.6
299.20108	5.5
305.19162	2.8
311.20135	2.6
314.77045	1.9
317.22058	2.5
347.23727	2.0
349.25302	5.5
351.22708	2.2
361.25259	3.7
365.24942	3.6
367.26212	4.6
373.25113	2.3
383.25775	2.4
384.26041	3.1
438.24329	2.1
473.33777	2.6
491.34854	2.5
565.40393	4.5
583.41479	8.6
601.36548	10.6
601.42133	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	601.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	3.4
53.03948	7.4
55.05524	20.2
57.07071	7.9
59.04998	4.4
65.03941	6.6
67.05511	33.5
69.03452	11.4
69.07076	24.4
69.21718	24.0
71.04999	3.0
75.75156	2.2
77.03938	2.6
78.13573	2.5
79.05496	36.4
81.07059	42.5
83.04987	21.3
83.08629	20.4
85.02943	3.0
85.06546	4.7
87.04459	4.8
91.05482	56.5
91.06015	4.5
93.07050	81.8
95.04974	24.1
95.08616	40.5
97.06539	14.5
98.20739	5.1
103.05492	6.1
105.07039	99.8
107.08602	90.6
108.08862	2.8
109.06540	17.6
109.10166	37.8
111.08071	6.3
113.09639	6.8
115.05467	7.2
116.06288	3.3
117.07030	20.5
119.08591	100.0
120.08943	4.0
121.06509	10.8
121.10149	84.6
123.08074	18.8
123.11737	12.1
125.05987	2.7
125.09631	17.0
128.06264	13.3
129.07025	18.0
130.07774	10.0
131.08583	48.6
132.09032	3.0
133.06471	4.5
133.10139	64.1
134.10445	2.7
135.08064	15.2
135.11693	23.0
137.09639	7.7
139.11185	7.8
141.06995	8.6
142.07784	22.7
143.08565	42.3
144.09305	10.8
145.06532	4.0
145.10127	80.8
146.10504	4.5
147.08044	12.7
147.11707	24.5
149.09630	24.4
149.13258	6.2
151.07567	4.5
151.11234	3.9
153.07014	3.8
154.07747	5.1
155.08559	20.3
155.10564	4.2
156.09358	19.1
157.09196	1.7
157.10143	62.7
158.10764	8.1
159.08092	15.7
159.11707	39.3
161.09654	18.8
161.13260	11.0
163.11163	8.7
165.07021	7.2
165.09085	11.5
167.08539	8.5
167.10693	66.6
168.09369	8.7
169.10130	34.9
170.10930	11.8
171.08052	3.0
171.11694	46.4
172.12218	7.1
173.09665	9.7
173.13300	24.8
175.11230	10.1
175.14842	18.6
177.12784	4.8
178.07741	2.7
179.08565	9.9
180.09325	4.9
181.10118	21.1
181.12212	4.1
182.10892	10.8
183.11710	26.5
184.12360	7.6
185.09622	5.8
185.13274	27.3
186.13721	2.5
187.11179	7.9
187.14839	8.9
189.12772	7.1
191.14267	5.8
192.09407	5.6
193.10135	11.2
194.10887	9.5
195.11699	27.1
196.12404	10.0
197.13251	31.4
198.13759	6.6
199.11281	5.7
199.14775	15.1
201.12746	4.8
201.16345	6.5
203.14331	7.9
205.10173	5.1
206.10884	5.0
207.11739	17.4
207.13428	3.3
208.12395	8.7
209.13286	24.1
209.15285	3.2
210.13911	4.2
211.11066	3.1
211.14827	14.9
212.15289	2.6
213.12730	3.9
213.16380	5.6
215.14317	7.2
217.10164	3.3
217.15855	4.0
219.11670	7.5
220.12427	3.2
221.13226	14.1
221.15425	19.4
222.13853	5.8
223.14787	13.7
224.15173	5.2
225.12692	4.7
225.16357	11.1
227.14308	6.5
229.15874	4.6
231.11676	6.2
232.12337	3.1
233.13257	4.0
233.15367	37.4
234.15875	3.8
235.14767	12.2
235.16904	4.3
237.16437	8.6
239.17966	6.1
241.15854	5.9
245.13203	3.1
246.14075	2.6
247.14847	6.2
249.16403	8.3
250.17136	3.5
251.18140	4.7
255.17377	7.1
256.17761	3.6
257.19046	4.2
259.14725	5.2
259.20547	2.9
261.16330	7.8
263.17838	5.7
265.19461	6.8
267.17554	3.0
269.19101	11.8
269.21805	2.7
273.18533	4.6
275.17877	7.0
277.19595	3.3
281.18958	5.2
283.20694	8.9
285.18643	5.6
287.20139	3.8
289.19641	3.5
295.20657	2.7
299.20267	4.4
341.23300	3.2
347.23807	2.8
349.25278	4.2
361.25378	3.3
363.53967	2.4
365.25079	3.6
407.26981	2.4
491.35803	2.8
504.35281	2.6
546.65784	2.5
565.40155	8.9
576.28815	3.0
583.41431	8.8
601.42596	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	601.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.0
55.05492	12.3
57.07061	12.9
59.04994	3.5
63.37311	2.7
67.05515	24.9
67.73367	2.5
69.03423	10.5
69.07059	10.7
71.04984	3.1
71.08639	2.8
71.54770	4.0
78.99336	3.2
79.05502	16.5
81.07056	26.1
83.04976	6.9
83.08610	4.6
85.06519	3.9
89.06036	6.8
91.05489	32.8
92.91395	2.9
93.06490	3.1
93.07054	48.6
95.04964	6.6
95.08620	33.8
97.06541	4.8
97.10172	2.8
105.07043	46.6
106.07325	4.4
107.08602	32.6
109.06519	12.0
109.10185	19.2
111.08056	3.4
115.05505	3.7
116.06158	3.3
117.07021	14.3
119.08598	50.0
121.06507	6.9
121.10162	26.2
122.10397	3.2
123.08086	21.7
123.11779	3.9
125.05952	4.2
125.09641	3.0
128.06186	3.5
129.06990	10.7
130.07718	4.5
131.08601	25.1
133.10136	27.8
134.10466	3.0
135.08055	14.8
135.11673	11.3
136.56462	2.8
137.09624	12.6
141.07043	3.1
142.07758	7.9
143.08572	14.3
144.09412	6.6
145.10136	33.1
146.10483	7.2
147.08067	27.0
147.11682	9.5
149.09636	6.9
151.07489	9.0
151.11119	3.3
155.08542	10.0
156.09332	6.7
157.10149	28.8
158.10526	4.7
159.08046	5.8
159.11737	18.8
160.08701	4.2
160.12125	4.0
161.09598	8.9
161.13246	9.4
163.11176	13.2
165.09134	41.2
166.09532	3.2
169.10146	11.9
170.10820	4.6
171.11662	14.4
172.12222	4.0
173.09631	5.0
173.13249	8.6
175.11240	5.1
175.14796	5.7
181.10106	3.1
181.12238	6.9
182.10815	3.2
183.11708	11.8
185.13210	12.1
187.11221	4.2
187.14906	6.4
189.12749	6.8
195.11754	7.1
196.12402	5.0
197.13249	9.8
203.14378	21.3
204.14525	3.5
207.11812	4.1
207.13794	8.4
208.12444	3.7
209.13202	10.2
211.11186	3.9
211.14793	5.2
219.13779	3.6
221.13419	4.9
221.15387	100.0
221.17635	5.4
222.15825	7.4
223.14734	6.2
225.16228	3.6
234.16162	6.0
235.14699	3.8
235.16724	3.8
239.14127	3.2
247.16910	7.2
249.16310	3.2
269.18924	3.2
270.66687	3.0
284.26501	3.4
287.19891	8.3
299.20074	7.9
300.20721	5.2
301.21844	3.3
318.77603	3.2
325.21475	5.7
326.21817	4.2
340.24048	5.0
352.23926	5.6
353.24249	9.7
367.26642	3.6
421.30283	4.4
427.28497	4.0
440.29242	4.9
441.29480	8.8
489.35611	3.9
491.34967	5.9
491.45694	3.4
492.70938	3.5
521.35883	18.0
557.68201	3.3
583.41541	14.6
601.42383	48.6
601.55615	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	601.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
70.38409	0.4
70.38762	0.8
81.03429	0.7
85.02866	0.3
91.05486	0.7
94.44518	0.3
98.21430	0.3
119.04977	1.4
125.02119	0.5
125.37975	0.3
127.03945	1.0
147.04411	7.8
147.05521	0.4
149.02095	2.0
167.03169	0.3
169.02673	0.7
185.04239	3.8
190.83376	0.3
216.16086	0.3
246.67265	0.3
249.07257	0.4
251.05328	0.3
258.48868	0.3
287.82574	0.3
311.07428	1.4
331.07776	1.5
413.12048	2.1
415.10040	1.5
455.03278	0.3
457.10941	1.3
475.12207	7.6
475.18777	0.5
539.15308	2.0
541.13202	1.9
601.15283	100.0
602.15448	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03463	0.4
54.99555	0.5
56.05035	6.4
58.06602	3.7
60.05651	5.9
64.86707	0.4
68.05015	1.1
69.00912	0.9
70.06596	27.6
71.01373	1.1
71.17068	1.0
73.02910	1.4
74.06078	5.1
85.02891	2.4
86.03555	4.2
87.09244	0.4
95.01320	1.0
95.21581	0.4
97.07647	5.6
98.08435	1.1
101.02368	0.7
105.03358	1.7
106.06559	0.5
111.09204	1.9
113.02386	1.8
113.07091	0.5
115.08705	1.0
120.04462	6.4
129.10245	40.6
130.06548	1.3
132.04471	4.1
132.08092	1.8
134.06012	1.4
141.01828	1.4
146.05997	1.4
148.03935	0.6
150.05492	2.1
155.08154	8.2
157.39529	0.5
158.06021	18.9
158.07333	1.0
162.05490	1.0
176.07088	3.6
189.10205	4.0
214.12999	0.7
217.09685	2.9
224.09357	1.1
230.12891	48.4
231.11281	19.4
231.13560	0.9
232.10979	0.8
248.13957	48.3
250.10802	2.5
264.51257	0.5
274.11887	1.8
288.17004	1.0
317.27277	0.6
322.17609	27.9
323.15909	0.9
340.18677	4.4
348.15256	0.7
364.18735	1.5
403.76340	0.6
470.49310	0.5
481.94836	0.5
485.17123	0.6
498.20840	60.9
499.19208	11.7
516.21912	100.0
517.22034	1.1
523.23572	0.5
601.24872	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	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17360	2.3
53.03943	5.2
55.01860	3.6
55.05517	23.1
55.10099	2.3
57.07080	10.8
65.03930	8.0
65.79047	2.3
67.05180	2.5
67.05511	36.6
69.03432	14.6
69.07074	21.2
71.05003	4.1
71.24225	4.4
77.03953	3.5
79.05497	35.0
81.07062	46.2
83.04979	19.2
83.08639	15.3
85.02921	3.4
85.06541	10.2
86.60495	2.4
87.04459	4.2
89.06063	3.1
91.04897	3.3
91.05486	69.3
93.07045	70.3
95.04965	26.7
95.08044	3.8
95.08614	39.0
97.06547	15.0
102.23722	2.0
103.05476	5.1
105.04517	2.8
105.07037	100.0
106.07847	3.4
107.04971	3.3
107.08606	79.4
109.06528	22.5
109.10162	40.9
111.08086	8.7
113.06002	3.5
113.09616	4.9
115.05463	9.5
116.06220	3.1
117.07036	26.7
119.06052	3.5
119.08590	96.3
120.09408	4.1
121.06531	16.7
121.10149	63.7
122.07278	3.1
123.08089	33.9
123.11707	6.1
125.06091	2.7
125.09631	16.2
127.05528	2.7
128.06218	19.8
129.07019	26.9
129.09055	3.6
130.07806	9.4
131.08571	57.9
132.09369	6.2
133.06493	9.3
133.07491	2.4
133.10146	57.3
135.08075	22.2
135.11690	14.6
137.09612	12.8
139.11221	3.7
141.06969	13.9
142.07802	35.5
143.08577	55.8
144.09396	14.6
145.06471	7.6
145.10129	83.4
146.10886	5.3
147.08064	20.4
147.11693	24.5
148.08783	3.5
149.09634	20.1
149.13275	4.1
151.07544	12.4
153.07005	5.8
153.09187	2.5
154.07756	5.3
155.08591	24.8
155.10660	13.6
156.09352	29.1
157.10147	80.9
158.10941	13.6
159.08092	23.5
159.11708	54.2
159.55577	2.2
160.08916	6.2
160.12444	4.0
161.09610	20.8
161.12123	2.3
161.13239	12.0
163.11217	12.2
165.07013	10.1
165.09123	15.6
166.07799	4.1
167.08597	16.4
167.10674	20.6
168.09406	9.3
169.10120	39.3
170.10875	12.8
171.08055	4.0
171.11703	48.2
172.08676	2.4
172.12457	7.5
173.09653	9.7
173.13243	25.3
174.10495	2.5
175.11208	21.9
175.14873	10.9
177.12729	2.6
179.08551	16.9
179.10652	4.8
179.14333	2.7
180.09311	6.7
181.10130	27.9
181.12225	8.4
182.10954	12.3
183.08089	2.9
183.11710	42.6
184.12442	6.3
185.09634	8.7
185.13271	30.5
186.14024	5.3
187.11191	12.9
187.14767	13.4
187.92050	2.6
189.12685	12.3
190.13515	8.5
191.14346	9.0
192.09344	6.8
193.10147	22.3
193.12262	6.0
194.10854	11.9
195.08107	2.9
195.11708	33.9
195.13519	4.3
196.12482	12.6
197.09660	6.2
197.13261	35.7
198.14131	4.4
199.11212	16.0
199.14822	18.5
201.12756	7.2
201.16452	5.4
203.14345	18.0
205.10208	4.3
205.15929	2.8
206.10951	9.2
207.11729	27.9
207.13841	8.3
208.12474	13.8
208.14380	4.3
209.09642	3.2
209.13257	31.0
209.15161	4.4
210.10568	4.1
210.14070	7.6
211.11206	7.2
211.14807	27.7
212.11899	2.9
212.15596	3.6
213.12784	13.3
213.16350	9.0
215.14310	10.3
217.10278	4.2
217.15918	5.9
218.16624	5.4
219.11694	7.4
219.13690	4.2
220.12434	10.2
221.13266	16.8
221.15398	34.4
222.14049	5.6
223.11275	4.3
223.14821	15.9
224.15570	2.9
225.12779	8.2
225.16341	15.1
227.14331	10.4
229.12259	2.8
229.15886	6.6
231.11769	5.4
232.12483	6.0
233.13152	10.2
233.15419	26.2
234.14044	5.7
234.16183	7.6
235.14864	19.2
235.17012	3.8
236.15663	3.2
237.12656	4.9
237.16782	12.4
239.14304	4.3
239.18065	5.3
240.00128	2.5
241.15887	6.9
243.17485	2.9
244.12570	3.8
245.13243	5.7
246.16260	3.6
247.14836	15.1
247.17050	4.0
249.12674	2.4
249.16409	9.7
251.14339	5.1
251.18007	7.2
253.15970	6.1
253.19601	4.8
255.17441	48.0
257.18991	5.3
259.14890	6.0
260.15646	5.3
261.16388	9.2
263.17987	7.0
265.15881	3.9
265.19446	4.6
267.17480	4.7
268.18228	6.7
269.19080	9.5
270.19745	6.4
271.16931	4.5
273.18677	12.8
274.19406	3.2
275.17902	7.1
277.19522	4.3
279.17465	3.0
281.18988	8.6
283.20538	4.4
284.21509	2.5
285.18518	6.5
287.17520	3.6
287.20193	6.5
289.19232	3.2
291.17361	2.5
294.19705	7.0
295.20523	8.3
297.18692	4.8
297.22195	3.2
299.20026	8.4
303.19604	10.0
305.19025	4.2
307.20670	3.5
309.18524	2.5
313.21780	5.3
315.20923	3.0
325.21695	4.0
327.21158	2.4
345.22040	4.9
347.23560	5.5
352.23907	13.6
360.24411	4.0
364.60162	2.6
365.24786	12.8
383.25732	12.9
439.29724	3.8
490.34897	3.0
507.35422	2.9
520.35144	10.3
567.38141	3.9
582.41016	5.0
600.41595	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	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
55.01883	3.6
55.05518	17.4
57.07069	10.6
59.04993	5.0
65.03936	4.7
67.05508	32.0
69.03429	19.9
69.07071	18.9
69.14944	6.2
69.15334	25.9
70.06581	5.9
71.04977	5.9
74.26284	2.6
77.03915	2.8
79.05501	29.8
81.07061	40.2
83.04992	16.3
83.08607	13.0
85.06544	8.9
87.04525	2.9
89.06070	5.1
91.05485	61.7
92.06311	3.4
93.07052	66.1
95.04967	27.1
95.08607	38.5
97.06550	14.3
97.10174	3.2
98.20746	6.8
103.05463	3.7
105.04510	4.0
105.07035	100.0
106.07820	4.2
107.04964	3.1
107.08601	68.2
109.06519	19.0
109.10181	24.1
111.08084	7.3
113.09605	4.2
114.79755	2.5
115.05473	6.0
116.07105	8.0
117.07037	21.1
119.08588	77.6
120.09406	4.1
121.06504	14.6
121.10151	65.0
121.11024	3.6
123.08089	36.6
123.11714	6.0
125.05978	4.6
125.09630	8.9
128.06236	15.1
129.07010	27.2
130.07791	10.2
131.08582	52.9
132.09361	3.8
133.06487	8.9
133.08621	3.8
133.10130	51.3
135.08069	25.5
135.11703	15.1
137.09612	18.7
139.07512	3.4
139.11197	5.0
141.06985	9.5
142.07761	28.7
143.08577	54.7
144.09328	14.6
145.06479	5.4
145.10126	66.0
146.10867	3.3
147.08058	30.0
147.11728	21.6
149.09624	23.3
151.07556	18.0
151.11212	4.1
153.06996	4.7
153.09003	3.6
155.08575	28.0
155.10661	9.7
156.09369	20.8
157.10138	85.2
158.07236	4.9
158.10887	9.9
159.08055	22.3
159.11711	44.9
161.09622	23.7
161.13293	10.7
163.07474	3.1
163.11209	18.2
165.07027	7.2
165.09103	35.4
166.07788	4.7
167.07318	3.0
167.08597	11.8
167.10687	15.6
168.09341	10.7
169.10129	29.4
170.10950	14.0
171.08075	3.8
171.11705	47.7
172.08824	4.7
172.12462	11.2
173.09650	12.9
173.13251	22.7
174.10396	3.4
175.11168	26.6
175.14833	2.8
177.12770	7.6
179.08582	9.9
179.10660	2.9
180.09309	9.0
181.10103	25.1
181.12239	11.1
182.10934	9.1
183.11714	33.5
184.12527	7.0
185.09650	5.0
185.13226	24.1
185.73840	3.0
186.14030	4.0
187.11195	10.6
187.14870	10.1
189.12776	13.0
190.13535	10.9
191.10672	5.0
191.14333	6.6
192.09412	5.9
193.10165	16.2
193.12247	11.7
194.10889	9.2
195.11746	32.7
196.12474	10.1
197.09598	5.8
197.13277	29.7
198.10466	2.9
199.11136	9.5
199.14861	14.0
201.12685	6.6
203.14313	25.5
205.10178	5.9
205.12308	3.7
206.11050	4.8
207.11685	23.0
207.13821	14.0
208.12489	8.6
208.14508	7.5
209.13310	26.4
209.15204	5.2
210.13991	7.6
211.11224	6.3
211.14806	18.2
213.12729	16.2
213.16402	4.7
215.14362	6.8
217.12230	2.9
218.10986	3.8
218.16640	4.3
219.11647	8.9
219.13646	5.4
220.12453	9.0
221.13249	16.1
221.15331	91.9
222.13968	4.0
223.14835	16.7
224.15627	3.9
225.12781	7.8
225.16432	8.6
227.14301	8.9
229.15906	5.7
230.10970	3.1
232.12518	4.4
233.13242	8.0
233.15390	24.0
234.14014	3.6
234.16106	16.7
235.14778	12.3
236.15598	4.1
237.12695	6.8
237.14728	33.9
239.14334	6.1
239.17918	4.6
241.15970	5.9
245.13171	6.7
246.14082	5.8
246.16383	2.9
247.14755	7.1
247.16953	10.3
248.14188	8.8
249.16428	10.0
250.15692	3.6
253.15855	8.4
255.17456	27.2
259.14749	6.1
259.17166	5.2
261.16336	9.5
263.14206	2.9
263.17947	6.8
267.17548	6.6
269.18918	5.0
270.19882	10.0
271.16995	4.6
273.16193	3.8
273.18716	4.4
274.19296	11.1
275.17841	4.4
279.17557	5.7
281.18997	7.2
285.18561	7.0
286.19553	14.8
287.20059	13.1
291.21082	2.8
294.19937	5.3
295.20529	7.2
297.18549	8.2
299.20190	19.0
303.19525	44.4
307.20883	4.4
312.20880	7.9
313.21774	14.7
319.20621	4.9
325.21689	16.6
337.21713	8.7
347.23972	3.8
352.23990	84.8
352.28415	4.5
365.24924	20.5
377.24677	4.1
383.25797	11.9
416.66440	2.6
420.30121	2.9
487.31931	6.2
502.34195	9.9
503.34949	4.7
505.32889	4.2
507.34598	11.9
508.34821	5.7
520.35565	48.3
521.36896	2.8
567.38306	3.7
582.40381	5.1
585.39429	3.8
600.41577	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	600.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.05507	6.3
57.03421	1.5
57.07082	13.2
59.04999	2.9
59.36609	1.6
65.03927	1.6
67.05512	10.7
69.03431	7.7
69.07059	5.5
79.05491	13.5
81.07053	16.6
83.04961	4.4
83.08611	1.7
85.06555	4.6
87.03797	1.4
89.06036	2.5
89.21015	1.5
91.05486	26.2
91.94049	1.4
92.06281	2.5
93.07046	31.2
95.04975	10.1
95.08610	19.9
97.06529	5.0
98.20733	3.7
105.07040	44.4
107.05014	1.5
107.08601	19.2
109.06532	9.8
109.10174	5.9
111.04483	1.6
115.05464	3.4
117.07012	11.9
119.08586	49.4
120.09380	1.6
121.06548	7.5
121.10157	21.0
123.08088	12.9
123.11700	1.5
125.05999	11.4
128.06239	5.4
129.07019	8.3
130.07799	3.1
131.08580	22.5
132.09367	2.0
133.06496	4.8
133.08600	2.4
133.10138	22.1
134.10895	1.7
135.08063	19.6
135.11703	7.6
137.09627	10.7
139.07556	1.9
141.07066	3.3
142.07741	7.5
143.08575	21.4
144.09332	4.8
145.06413	2.3
145.10126	35.4
146.07272	1.7
146.10612	1.3
147.08052	28.5
147.11700	5.6
148.08661	1.6
149.09615	12.1
150.10434	2.7
151.07581	11.8
151.11209	2.6
153.07024	1.9
155.08571	10.0
156.09348	8.7
157.10147	30.0
158.10823	5.5
159.08052	7.1
159.11708	22.2
160.08832	2.6
160.12544	2.3
161.09668	9.9
161.13287	5.8
162.10475	2.3
163.07616	1.8
163.11176	19.9
165.09125	49.7
167.08617	2.4
168.09357	2.7
169.10139	14.3
170.10860	5.7
171.08054	1.7
171.11714	15.9
172.08836	1.7
172.12428	3.1
173.09659	8.5
173.13231	7.3
174.10411	2.1
175.11177	20.7
177.09146	3.8
177.12761	1.9
178.09811	2.1
179.08578	3.8
179.10666	1.9
180.11484	4.1
181.10127	5.7
181.12245	19.2
182.10930	3.5
183.08055	1.6
183.11728	14.6
184.12238	2.2
185.09703	2.4
185.13248	8.6
187.11168	6.3
187.14822	3.1
189.12737	9.2
190.13513	9.3
191.10683	8.6
191.14383	1.5
193.10182	3.8
193.12247	13.2
194.10956	2.0
195.11710	9.2
195.13628	2.1
196.12463	5.0
197.09560	1.9
197.13258	12.8
199.11162	6.7
199.14857	2.6
201.12747	10.6
203.14343	19.3
207.11674	4.7
207.13831	9.5
208.12584	3.3
208.14595	10.3
209.13239	7.7
209.15215	3.1
211.11241	4.5
211.14778	7.8
212.15555	2.4
213.12781	4.6
213.16324	2.1
215.10657	1.7
215.14311	3.2
219.11899	2.4
219.13794	7.7
221.13452	4.1
221.15370	100.0
222.15714	8.5
223.11334	2.2
223.14841	3.9
224.11838	1.7
225.12834	2.5
225.16498	3.6
227.14262	2.2
229.12270	1.7
229.15872	4.2
231.13927	1.5
233.13290	2.7
233.15416	4.0
234.13887	2.6
234.16121	23.1
235.14792	3.5
235.16882	2.5
236.73018	1.6
237.12712	2.6
237.16431	2.8
239.14305	2.2
240.18802	1.6
241.15871	3.3
245.15288	1.6
247.14543	2.5
247.16965	30.7
248.17606	3.9
249.16389	2.6
251.14294	2.0
253.15846	2.8
259.16983	4.4
261.16284	2.6
261.18710	2.1
264.14828	1.5
267.17477	2.3
269.15427	3.6
269.19080	2.7
271.16953	3.9
273.18533	2.4
274.19333	14.5
275.18179	1.7
283.26230	2.3
285.18616	3.6
286.19391	6.6
287.20065	10.3
297.18451	4.1
298.19345	2.3
299.20084	17.9
300.20764	4.0
307.20615	3.0
310.19315	2.6
311.20123	4.3
312.20892	10.1
313.21545	9.0
325.21564	18.8
326.22510	1.8
327.23193	2.9
337.21683	5.1
339.23215	8.1
340.24017	18.7
352.24020	33.8
365.24527	6.6
366.25543	2.2
377.24792	2.9
379.26434	2.4
387.25528	4.3
391.26175	4.5
392.27063	5.0
400.26245	2.0
405.27890	1.9
413.26874	6.8
419.29550	10.8
420.30231	4.7
425.26855	11.7
426.27695	7.3
427.28430	20.2
440.29245	63.0
442.30600	2.9
454.30765	2.7
470.50262	1.7
505.32028	2.0
507.34766	4.2
508.35373	5.7
512.98895	1.6
520.35535	44.2
521.35846	2.4
585.39386	2.2
600.31995	2.9
600.41492	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	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.2
55.05502	5.6
57.07071	15.5
59.04984	3.8
67.05500	8.6
69.03419	7.3
69.07065	7.4
69.68130	5.4
69.68507	13.6
79.05487	15.7
81.07057	19.3
83.04974	5.7
85.06546	5.7
89.06030	5.2
91.05481	30.3
93.07063	34.3
95.04954	8.3
95.08620	23.0
97.06535	2.9
105.07032	44.4
107.08597	21.6
109.06530	14.2
109.10131	7.6
111.08115	3.3
117.07001	13.4
119.08585	56.1
120.09372	4.0
121.06495	5.2
121.10145	16.4
121.41182	2.3
123.08054	21.2
125.05986	10.3
128.06262	5.0
129.06999	9.9
130.07787	4.7
131.08559	21.5
133.06528	5.7
133.10141	14.7
134.10947	4.1
135.08052	19.0
135.11703	7.7
137.05989	3.5
137.09636	12.1
141.06955	3.8
142.07773	8.3
143.08565	23.7
144.09355	4.9
145.10127	38.7
147.08063	23.6
147.11711	7.0
149.09615	12.2
151.07574	11.9
155.08569	7.3
156.09314	6.3
157.10138	34.1
158.10886	5.6
159.08070	8.3
159.11688	25.3
161.09634	7.1
161.13280	6.1
163.11142	21.8
165.07005	5.2
165.09119	44.7
167.08594	5.6
169.10097	15.4
170.10846	7.7
171.11693	19.2
173.09622	5.2
173.13264	10.3
175.11179	17.5
177.09221	2.9
177.12747	4.1
178.09825	3.1
179.08554	3.7
181.10260	6.2
181.12228	14.6
182.10963	4.4
183.11691	10.5
184.12395	4.3
185.09637	3.1
185.13272	10.4
187.11124	7.1
187.14764	3.7
189.12772	9.4
190.13560	6.0
191.10591	5.0
191.14334	3.1
193.10263	4.7
193.12265	9.7
194.10771	4.2
195.11674	6.6
196.12450	3.9
197.13283	10.9
199.11227	7.3
199.14813	4.7
201.12698	9.4
203.14328	20.3
207.11850	6.0
207.13855	8.4
208.14552	6.4
209.13216	7.5
211.11220	5.6
211.14844	6.1
213.12943	4.2
213.16441	3.5
214.88614	2.8
215.14268	3.4
219.11765	2.7
219.13800	10.7
221.13284	5.9
221.15359	100.0
222.15742	10.8
223.14813	3.4
225.12645	4.5
225.16443	3.6
227.14323	3.7
233.13283	4.3
234.16058	18.7
235.14888	3.2
239.14348	3.5
243.13850	3.9
247.17012	28.2
248.17711	3.7
249.16550	3.3
251.14331	4.7
259.16870	6.2
271.16977	3.9
274.19260	12.5
279.17532	3.6
283.26358	4.7
285.18588	4.3
286.19122	4.6
287.20035	10.7
297.18350	3.7
299.20227	13.7
309.18304	4.3
312.20743	8.0
313.21716	8.9
322.19739	2.6
325.21646	19.9
339.23181	6.0
340.23895	15.1
344.31570	3.9
352.23981	39.5
361.25873	3.0
365.24661	8.6
366.25375	4.1
379.26248	5.5
387.25134	6.3
391.26352	3.5
392.26489	2.9
413.27036	4.5
415.25247	3.3
419.29630	6.7
420.29828	6.0
425.26797	7.2
426.27744	8.4
427.28317	14.5
440.29272	46.0
442.30536	3.4
454.30576	5.0
505.33145	4.9
507.34894	3.7
508.35410	6.4
520.35474	60.0
521.35809	4.0
585.38965	4.3
600.41602	56.2
600.55542	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	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	6.8
55.05506	25.3
55.05759	6.9
57.07075	23.9
61.61424	6.8
62.79488	7.1
65.03983	7.6
67.05506	42.0
69.03427	10.3
69.07059	25.5
69.16784	72.8
70.06588	20.1
72.08163	8.0
79.05490	32.6
81.07061	40.8
83.05007	10.9
83.08608	26.6
89.06059	35.4
91.05489	51.4
93.07063	53.0
95.04984	15.2
95.08616	42.6
97.06536	15.5
105.07024	49.8
107.08599	32.0
109.06541	9.9
109.10181	23.9
117.07029	17.8
119.08569	52.8
121.10146	39.8
122.10557	8.3
123.08072	16.6
125.06001	9.9
128.06270	9.8
129.07045	13.2
131.08577	19.5
132.10210	9.4
133.08617	20.9
133.10141	29.4
135.08044	12.2
135.11713	12.8
137.09610	12.9
142.07780	11.0
143.08556	30.4
145.06470	12.9
145.10127	37.3
147.08052	14.4
147.11710	15.8
149.09599	10.4
155.08548	12.8
156.09392	10.4
157.10152	32.7
159.08096	18.1
159.11729	24.1
160.08879	55.1
161.09634	8.7
163.11220	14.3
165.09108	35.3
169.10182	18.0
171.11671	23.5
173.09622	11.1
173.13251	8.5
175.11243	8.9
177.11279	12.7
177.12740	6.8
180.09479	7.1
181.10234	6.9
181.12218	25.1
183.11667	21.9
185.13191	10.6
187.11073	8.0
190.13528	10.2
194.93491	7.9
195.11723	12.3
196.12508	9.6
197.13313	13.1
203.14281	19.8
207.11728	8.6
207.13948	13.1
209.13287	12.6
209.15118	8.5
211.14839	8.5
211.75853	8.0
219.13785	9.4
221.13580	11.1
221.15411	73.0
222.15771	14.6
234.16206	19.3
247.16959	23.3
256.26556	8.4
274.19275	10.0
283.26367	30.3
286.19241	16.1
287.20135	9.8
299.20010	15.2
300.29001	10.9
301.16544	9.5
310.28552	8.6
315.77930	7.2
325.21619	13.0
339.28891	9.5
340.23883	11.5
344.32010	9.0
352.24152	39.5
363.59335	7.6
365.24817	12.1
401.70563	7.0
413.80167	7.9
415.25500	13.5
440.29297	40.7
520.35248	35.0
567.54749	7.8
600.41412	37.3
600.56018	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32027	2.3
53.03949	5.5
55.01875	3.3
55.05505	19.3
57.03440	6.8
57.07084	6.5
58.16179	2.7
59.04999	2.9
60.97445	2.5
63.08553	2.6
65.03938	3.2
67.05170	5.2
67.05507	50.8
69.03436	10.1
69.07076	24.9
70.17377	9.1
71.04993	7.7
73.02939	6.5
79.05489	28.7
81.03414	16.9
81.07063	74.9
83.04990	6.1
83.08619	13.8
83.24174	2.8
85.02914	29.3
91.05480	29.8
93.07049	56.4
95.01330	5.9
95.04996	7.2
95.08614	100.0
97.02877	5.1
97.06542	5.6
97.10171	7.8
98.20687	2.5
99.04489	4.8
101.02357	3.4
103.03924	5.4
105.07036	54.7
107.04951	4.3
107.07869	5.1
107.08600	83.1
109.02902	8.6
109.06540	6.8
109.10165	91.6
111.04452	3.2
111.08067	7.2
111.11726	3.1
113.02380	6.5
117.07038	8.6
119.08584	71.7
119.69739	2.7
121.06568	2.9
121.10152	60.1
123.08051	5.4
123.11721	31.8
125.09677	3.2
127.03926	8.7
129.07013	5.1
131.08598	19.0
133.10144	60.8
135.11690	50.7
137.13251	10.7
139.11211	6.4
140.25922	2.6
141.01859	10.2
143.08540	13.1
144.09341	3.8
145.10136	35.7
147.11708	44.0
149.09612	5.6
149.13260	31.8
151.11185	2.5
151.14874	3.1
153.12645	3.7
157.10095	16.6
159.11694	41.0
161.13277	40.8
163.04097	2.6
163.11200	6.6
163.14804	26.6
165.12711	3.8
169.10182	4.3
171.11740	10.2
173.11862	3.6
173.13254	29.0
175.14844	36.0
177.12782	6.0
177.16388	30.7
179.66200	2.8
183.11667	4.0
185.13284	10.4
187.14844	21.2
189.16356	35.4
191.17928	17.5
197.13330	5.4
199.14877	8.6
201.16399	31.1
203.17946	45.9
205.19513	4.7
207.17467	7.8
213.16537	6.7
215.17967	20.8
217.19569	24.4
219.17471	12.6
221.19063	7.3
227.17926	15.2
229.14444	6.1
229.19527	37.0
231.21048	5.2
233.19040	12.9
241.19562	7.1
243.21156	5.4
245.19022	7.4
247.20575	21.0
255.21109	7.1
257.22638	7.9
259.20538	4.2
261.22308	5.1
269.22812	8.7
271.20673	4.9
273.22162	6.6
275.23825	4.3
281.22647	4.2
283.15271	13.7
283.24185	4.3
287.23730	4.3
295.24323	4.7
311.27676	3.0
339.17926	6.9
351.18015	7.7
365.19598	7.0
365.31979	5.3
379.21231	5.8
379.29977	3.4
405.35101	30.3
421.34897	4.6
423.36194	40.9
441.37262	10.2
479.46799	3.6
581.30536	4.0
581.38428	26.4
599.31995	43.3
599.40216	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	598.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59873	4.5
53.03941	10.9
55.05514	27.8
57.03438	11.4
57.07074	6.1
60.70620	3.7
65.10026	3.5
67.05180	5.7
67.05515	87.7
69.07064	27.4
69.85890	9.4
69.86307	12.9
70.38148	3.7
71.04995	12.0
71.08635	11.2
73.84773	3.4
79.05499	64.9
81.03429	14.5
81.07060	100.0
83.04980	12.9
83.08616	22.9
84.04538	10.5
85.06551	5.9
91.05485	46.1
93.07043	82.9
95.04983	14.7
95.08607	39.4
97.06544	15.7
97.10186	6.5
99.08109	12.1
105.07047	29.1
107.08604	45.6
109.10165	17.8
111.08076	10.2
117.07030	18.1
119.08577	23.0
121.10135	27.1
123.11727	6.3
125.09617	6.9
129.07094	4.3
131.08591	22.3
133.10168	23.3
135.11688	19.9
137.09578	6.6
143.02635	4.0
145.10162	13.4
147.11693	14.3
149.13300	30.7
151.11208	16.8
156.50069	4.7
157.10146	7.9
159.11708	19.3
161.13263	8.2
163.11224	7.8
175.14870	5.1
177.12689	5.8
179.14293	4.9
195.13857	13.5
227.12807	5.2
241.19583	7.1
259.20667	12.3
269.17465	62.0
277.21625	13.8
285.16953	7.4
285.30280	4.5
287.18604	5.2
333.24289	8.3
335.25912	6.3
351.25150	21.8
463.30521	97.3
487.34094	13.3
504.48843	5.2
513.35974	5.9
527.37708	4.9
545.38562	35.0
565.95947	5.0
598.43176	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	599.25
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
55.01869	0.6
55.05513	1.1
57.07073	1.0
58.71380	0.6
67.05501	2.4
69.07082	1.3
71.45321	0.6
79.05494	1.7
81.03399	0.5
81.07073	3.2
83.08616	1.1
88.80564	0.5
89.06032	0.8
91.05486	2.0
93.07067	1.5
95.08619	1.9
105.07037	1.5
107.08607	1.9
109.10163	1.2
109.75433	0.5
119.08553	1.1
120.08907	0.7
121.10146	1.3
125.06078	0.6
131.08586	1.3
131.49060	0.5
133.08633	0.9
133.10097	0.6
135.08061	0.7
143.08623	1.0
145.10141	1.4
147.08015	0.9
157.10149	1.0
159.11778	0.7
165.09142	1.4
169.10249	0.7
171.11604	0.9
203.14334	0.7
211.14731	0.5
221.10793	1.1
221.15399	1.7
222.11531	0.7
223.12247	1.0
236.13217	0.8
237.13968	1.7
238.14694	1.7
247.12222	0.7
249.10350	0.8
249.13921	1.8
251.11723	0.6
251.15526	1.5
260.66995	0.5
261.13818	0.8
264.12646	0.9
277.13205	0.6
279.14926	1.8
300.15158	0.8
314.16629	1.2
322.13367	1.0
326.16476	0.7
328.17990	0.7
330.19586	1.1
337.15521	0.8
338.15881	1.3
339.16138	2.7
340.17593	1.6
348.14563	0.7
349.14578	0.7
350.16013	0.7
351.16324	1.1
352.17703	1.0
353.17682	4.8
354.18356	5.8
355.19470	0.8
358.19263	2.6
363.16336	1.5
364.17151	2.0
365.17758	1.8
366.18619	1.1
367.19586	2.6
368.20068	1.2
369.20773	14.1
377.17740	2.2
378.19150	0.9
379.15109	1.0
379.19254	7.7
380.20560	1.0
381.17206	1.8
382.18137	2.0
389.17734	1.1
390.18967	0.8
391.15128	1.1
391.19458	1.5
393.21021	1.3
395.18454	0.8
395.22836	1.1
397.20276	6.1
401.20990	0.7
408.19592	1.0
409.20386	2.3
410.18610	1.2
412.19940	0.8
419.18991	1.3
421.20493	1.2
423.22345	1.4
425.19751	20.8
426.20926	1.2
433.20703	1.1
435.21924	0.9
437.19882	2.0
439.21545	1.3
441.23138	2.4
444.22855	0.8
447.18668	0.8
448.19113	0.8
451.21304	11.4
452.22086	2.6
453.19287	2.2
455.24536	2.5
456.25797	3.9
461.19662	1.8
462.20557	2.9
463.21268	0.9
465.22882	2.4
467.24811	3.0
468.22015	1.3
469.22382	1.8
479.20578	0.8
480.21588	1.2
483.24066	2.6
484.24884	6.6
489.19418	0.9
493.22433	1.3
495.23566	1.7
497.21890	2.4
502.53311	0.8
511.23315	5.4
512.24194	34.9
513.23883	0.8
521.21661	2.1
539.22906	38.2
540.23419	1.2
555.26294	0.9
567.21899	0.8
571.25372	1.0
581.23981	1.2
582.22931	1.6
599.25018	100.0
599.41034	2.9
601.13214	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3764
Annotation	Methylanhydrovilangin
Peak:m/z	Relative Intensity
53.03931	0.5
53.82006	0.5
55.05498	1.4
57.03431	0.4
57.07055	0.5
67.05505	4.1
69.07062	2.0
70.69062	0.7
70.69399	0.8
79.05502	3.4
79.62395	0.4
81.03426	0.7
81.07067	3.6
83.04969	0.5
83.08616	0.9
90.63101	0.4
91.05492	2.6
91.87160	0.4
93.07047	3.5
95.04959	0.6
95.08617	3.3
97.06524	0.4
105.07024	1.9
107.08583	1.7
109.10158	1.3
117.07072	0.7
119.08583	1.7
121.10184	0.9
131.08600	0.8
133.10138	1.4
135.11647	0.7
145.10150	1.0
147.11674	0.7
149.13219	0.8
159.11719	0.6
161.13298	0.7
171.11763	0.8
220.72786	0.4
247.13037	4.2
297.87006	0.5
301.16818	0.5
303.15698	2.4
317.20844	2.1
373.23563	3.2
375.17511	0.6
553.27911	0.7
597.37610	100.0
598.28448	0.6
598.38141	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	598.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47660	7.4
52.30620	6.7
53.02028	7.7
55.05494	27.0
57.03430	17.5
63.14751	6.8
67.05502	100.0
69.07074	37.7
71.04978	24.0
71.08624	20.9
71.53840	12.8
79.05489	79.9
81.03416	54.3
81.07055	90.4
83.04973	20.8
83.08618	23.1
85.06527	7.8
91.05499	58.9
93.07030	74.5
95.04956	30.7
95.08068	7.7
95.08595	51.1
97.06485	13.3
97.10155	12.1
99.08028	10.1
105.07047	44.3
107.08604	45.6
109.06531	9.1
109.10131	29.9
117.07005	12.2
119.08588	36.1
121.10109	24.9
123.11671	15.9
129.07014	10.7
131.08549	19.6
133.10109	19.3
135.11644	37.3
137.09631	14.7
141.50575	7.2
145.10097	16.2
147.11649	20.4
149.13268	17.6
151.11082	7.9
157.10097	8.4
159.11630	14.5
171.11681	9.4
173.13306	9.5
175.10995	7.5
179.14252	29.6
193.12225	19.4
203.60623	8.0
211.13358	7.7
243.21205	7.7
261.22147	16.6
267.15900	66.6
276.65582	9.0
277.21640	18.4
285.16919	21.7
287.18536	31.6
335.25815	72.9
351.25122	9.1
505.35312	18.2
527.37268	37.5
531.36987	37.1
545.38354	20.4
563.39423	49.4
598.27448	11.3
598.37158	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	597.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	12.3
55.01878	2.5
55.05516	22.3
55.61889	2.4
57.03452	12.8
59.05006	3.9
61.44893	2.3
65.80423	2.2
67.05511	100.0
67.81152	2.7
69.03442	17.0
69.07071	13.4
71.04993	6.6
71.53349	3.7
79.05495	45.5
80.33585	2.5
81.03424	40.8
81.06587	2.7
81.07066	39.7
83.04979	21.3
83.08627	10.8
84.53197	2.0
85.02909	8.7
85.06537	5.5
91.05487	41.8
91.92190	2.2
93.07048	45.5
95.04980	15.5
95.08615	18.8
97.02883	10.0
97.06506	3.5
97.10175	8.6
99.04472	4.6
105.07042	31.3
107.05001	5.5
107.08607	19.2
109.02872	7.6
109.06526	5.5
109.10160	53.1
111.04414	10.8
111.08075	5.0
117.07024	9.9
119.08602	25.0
121.06491	4.2
121.10191	3.5
123.08057	5.4
125.09560	5.2
127.03915	15.7
129.05505	4.4
129.06998	11.8
131.08574	5.4
133.06473	2.3
133.10150	12.2
135.04378	2.5
135.11682	4.3
137.09637	4.4
143.08569	7.1
145.10130	9.4
147.08029	4.8
147.11719	21.8
155.10689	6.3
157.10091	3.0
161.13242	6.9
163.11128	2.9
171.11734	21.4
173.04443	2.8
173.11771	18.9
189.11214	4.0
189.12791	5.1
207.13826	24.5
211.13319	2.6
225.14714	2.6
227.12816	5.8
229.14388	12.3
258.77313	2.2
269.15479	3.5
281.17459	42.4
287.05276	2.5
288.05804	4.1
289.06049	4.1
299.14777	5.7
355.17715	4.6
373.18582	21.6
425.77682	2.5
435.21524	4.5
435.27463	86.8
515.29956	2.9
579.31653	63.3
597.28998	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	597.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.2
53.03943	9.7
55.01874	4.3
55.05275	2.5
55.05519	36.0
57.03439	16.4
57.07075	5.5
59.04995	2.9
64.23661	2.7
64.99487	2.6
65.03939	5.7
67.05511	100.0
69.03436	21.7
69.06758	2.5
69.07076	22.4
69.39026	18.5
70.11219	2.6
71.05000	6.8
73.06562	2.5
79.05505	50.8
79.72076	2.6
81.03065	2.5
81.03436	32.3
81.07064	58.8
83.04996	18.9
83.08636	15.9
83.09063	2.7
85.02903	4.9
85.06566	4.5
87.04491	2.7
89.88954	2.7
91.05483	47.6
93.07048	63.7
95.04976	16.6
95.08619	40.3
97.02908	7.4
97.06541	4.8
97.10180	8.1
98.98457	6.8
99.04496	2.7
99.08116	2.8
99.35572	3.1
105.07035	35.7
107.04976	5.3
107.08609	19.5
109.02869	11.8
109.06534	6.6
109.10165	62.0
111.04440	8.4
111.08090	7.6
116.46510	2.4
117.07034	9.4
119.08588	26.0
121.06554	2.7
121.10136	13.7
123.08041	6.2
123.11697	6.2
125.09634	5.2
127.03951	13.6
129.05492	5.3
129.06996	13.6
131.08585	5.5
133.10123	13.9
135.11781	4.7
143.08569	6.4
145.10123	11.2
145.11172	2.5
147.08066	4.3
147.11719	23.0
155.10641	6.0
157.10144	3.1
161.09480	2.7
161.13237	7.8
161.21512	2.6
167.10695	2.7
171.11728	17.7
173.11719	13.6
173.13223	5.6
189.11183	3.5
189.12755	7.9
206.13766	2.7
207.13869	21.9
211.13242	3.2
229.14439	8.4
262.22501	4.2
281.17502	41.4
299.14886	7.0
301.16135	2.6
301.19995	5.3
308.99164	3.2
337.27390	86.2
355.17505	5.9
373.18695	26.4
435.27472	85.0
579.31635	64.5
597.39008	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	597.3037
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03940	1.1
55.05266	0.9
55.05515	13.1
57.03438	7.6
57.07065	1.7
62.63601	0.7
65.03936	0.8
67.05509	27.7
69.06725	1.2
69.07072	17.7
70.01863	3.3
71.04980	1.4
71.08625	1.7
75.62271	0.7
79.05496	8.8
81.03432	3.3
81.06586	1.5
81.07059	26.9
83.04982	1.5
83.08614	7.0
85.02882	0.9
85.06538	0.9
91.05476	5.4
93.07048	11.1
95.04985	1.9
95.08611	22.3
97.06523	2.6
97.10202	3.5
98.20866	0.9
98.98484	8.6
105.07043	4.7
107.08599	4.3
109.02886	2.8
109.10154	6.3
111.08137	0.9
117.09209	0.8
119.08570	4.0
121.10161	4.4
123.11725	2.1
125.09658	1.4
133.10129	4.1
135.11702	1.7
137.05969	0.9
137.13272	1.1
142.07549	0.8
145.10117	1.0
147.04520	0.7
147.08086	0.7
147.11687	2.5
149.02361	2.9
153.12834	0.8
155.01070	1.5
159.11768	0.7
161.13260	2.1
162.03139	1.5
162.53273	1.5
163.14790	1.1
163.95903	0.9
167.99719	1.2
168.49854	0.8
169.10338	0.9
184.04420	1.6
184.54579	1.2
186.13908	0.7
189.32964	0.7
190.00948	1.2
190.51189	0.7
193.04990	1.5
206.05780	1.1
245.22673	1.6
261.03714	2.0
263.23669	1.5
289.06207	0.9
308.04343	1.7
335.07291	1.0
337.27383	100.0
338.27783	1.0
386.89413	0.8
558.14374	0.8
596.61078	5.1
597.10925	4.8
597.38324	2.4
597.48254	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.01877	9.3
55.05515	54.4
57.03440	22.8
57.07054	2.3
59.04997	5.5
61.02923	5.2
65.03940	3.9
67.05511	100.0
69.03428	7.9
69.07071	15.7
71.01347	1.5
71.04986	5.7
71.53764	1.5
73.02924	5.5
75.04483	2.7
79.05068	1.7
79.05502	26.8
81.03434	16.0
81.07063	39.5
83.01360	2.1
83.04992	15.0
83.08621	25.6
85.02914	26.9
85.06541	4.6
87.04480	12.3
87.39191	1.1
91.03984	1.8
91.05495	15.4
92.12021	1.1
93.07055	16.5
94.85908	1.0
95.04984	7.5
95.08621	17.1
95.87211	1.0
97.02892	8.4
97.06554	7.6
97.09547	2.4
97.10177	38.0
99.04453	1.4
99.08089	1.6
103.03950	15.7
105.07019	5.6
106.69283	1.0
107.04964	8.5
107.08603	22.7
109.06494	2.5
109.10164	86.6
111.04453	7.2
111.08112	6.3
117.07011	4.3
119.08591	11.0
120.94626	1.1
121.06543	2.3
121.10131	5.4
123.08100	2.9
123.11792	1.7
125.09637	47.2
127.03916	1.5
129.05501	2.3
129.07016	1.7
131.08603	2.5
133.10139	2.0
135.11707	8.5
137.09586	2.4
143.10687	8.6
145.10149	7.4
147.08026	1.6
149.02356	1.3
149.09563	2.4
153.12758	12.2
155.10677	11.3
159.06529	1.5
163.11183	16.7
165.12790	1.2
173.04384	1.2
173.09532	2.3
173.11752	40.9
181.12241	8.6
189.11229	4.3
191.10625	6.9
193.12157	3.0
199.13280	10.0
206.82109	1.2
209.11781	12.0
217.14381	8.5
227.12778	19.5
229.14369	69.9
245.13863	4.0
257.13840	25.0
273.17068	1.4
283.15430	19.6
286.07898	1.8
287.05511	6.2
288.05865	9.5
301.16476	48.7
319.17633	12.4
399.23712	4.3
409.12885	1.1
450.11011	2.4
479.84741	1.4
529.16302	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93299	2.0
53.03922	1.8
55.05510	13.3
57.03435	3.8
57.07074	2.7
67.05183	3.6
67.05509	45.7
67.90892	1.8
69.07073	13.6
69.23501	3.4
69.23900	16.1
71.04997	15.2
79.05504	30.7
81.07063	74.2
83.08621	7.2
85.06539	4.5
91.05489	25.2
93.07056	34.2
95.08616	23.8
95.32094	2.0
97.06524	2.2
97.10125	2.4
105.07047	13.4
107.08599	18.2
109.10168	13.1
117.07001	5.1
119.08589	5.1
121.10175	11.2
123.11695	8.4
129.07016	2.4
131.08533	5.4
133.10156	13.8
135.11690	7.8
145.10095	4.0
149.13243	4.9
151.11140	5.0
151.42429	2.0
159.11697	7.1
169.12393	2.3
173.13336	3.6
176.08429	2.3
177.12694	2.4
181.36151	2.1
261.22177	2.8
269.17456	5.1
301.20105	21.3
311.29413	2.4
312.32501	2.7
335.25845	38.5
503.37326	100.0
517.38641	3.1
529.38727	5.6
561.41541	56.2
596.28839	4.0
596.38049	3.6
596.47052	6.8
596.59344	8.4
601.51709	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	595.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
53.58804	1.4
55.05510	6.7
57.03442	3.7
57.07080	3.6
58.51079	1.6
58.52558	1.4
67.05516	10.8
69.03439	6.9
69.07069	18.7
70.72368	2.9
71.05000	8.8
71.08643	2.7
73.02904	1.5
79.05491	6.2
81.03414	7.1
81.07068	31.8
83.08621	9.8
85.02912	26.8
85.06575	3.4
87.00842	7.4
91.05489	4.1
93.07061	7.9
95.04946	2.1
95.08060	2.4
95.08620	32.2
97.02891	7.7
97.06548	2.9
97.10173	5.4
99.04499	2.6
99.08102	1.8
99.32028	1.4
105.01879	8.7
105.07050	3.3
107.04974	3.6
107.08583	8.2
109.02879	4.5
109.06506	1.9
109.10181	21.6
111.08122	2.0
111.11717	4.3
117.07028	4.4
119.08608	3.0
121.10171	4.5
122.44135	1.5
123.11724	8.3
125.13239	2.0
127.03903	10.7
127.11230	1.7
129.05515	1.8
131.04900	2.1
133.10135	2.8
135.11728	3.1
137.05991	4.4
137.09491	1.4
137.13264	6.4
143.14343	1.6
145.04973	3.3
145.10135	1.6
147.04350	2.0
147.11729	3.4
149.05928	1.4
149.09625	1.6
149.13255	6.7
151.14836	6.7
153.01857	5.3
159.02919	3.2
161.06010	3.3
163.14813	3.7
167.07013	5.1
173.13309	1.9
177.16438	2.7
179.17993	1.6
179.77783	1.7
181.05045	2.3
231.04968	2.4
242.05876	2.8
243.06216	1.6
255.06522	3.2
258.41486	1.6
270.05063	2.7
271.05881	3.2
275.27432	3.4
281.28409	1.5
285.07571	34.5
286.07892	27.6
287.05487	100.0
287.08264	23.5
288.05829	4.9
290.39529	1.8
293.28421	10.9
301.07281	2.5
311.29382	7.0
343.28381	1.4
358.32449	1.8
383.29596	2.4
433.12277	2.2
447.12784	2.5
448.13016	2.8
449.11194	17.5
462.62741	1.7
504.89661	1.7
595.18341	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	595.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41721	0.2
50.87389	0.2
53.03937	0.7
55.01878	0.3
55.05515	0.2
57.03438	0.4
61.02917	0.4
61.06606	0.2
69.03436	1.9
70.67455	0.4
70.67808	0.5
71.04996	0.7
73.02914	0.4
78.36313	0.2
81.03412	2.4
85.02428	0.4
85.02909	5.6
97.02894	3.4
99.04462	3.7
103.03947	4.8
109.02878	3.1
127.03923	100.0
128.04265	0.3
145.04976	4.4
158.07639	0.3
163.05988	1.4
182.50867	0.3
187.06052	0.9
253.07027	0.3
271.05759	1.2
271.08481	0.6
289.09229	1.0
307.10104	0.4
317.85336	0.3
433.13361	1.8
606.74274	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81105	0.2
53.03942	1.1
55.01861	0.5
55.05487	0.2
57.03427	0.9
61.02919	0.4
69.03431	3.0
70.92382	0.5
70.92722	0.3
71.04993	1.0
73.02924	1.5
74.02322	0.2
81.02987	0.5
81.03426	4.6
81.26528	0.2
83.04999	0.3
85.02909	16.2
87.04470	0.4
91.03938	0.3
97.02894	8.7
99.04461	9.8
103.03947	13.8
109.02152	0.4
109.02887	6.2
115.03991	0.3
127.03921	100.0
145.04962	13.4
163.06000	2.6
176.57036	0.2
187.05981	1.2
199.06007	0.4
205.07138	0.4
209.07935	0.2
253.06999	1.1
271.08160	4.6
287.05481	0.6
289.09213	2.8
307.07040	0.2
307.10342	0.6
309.19662	0.3
315.65985	0.3
349.07193	0.3
409.09030	0.3
433.13492	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1661
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
53.03942	0.3
56.10395	0.2
57.03443	1.7
60.88872	0.2
61.02924	0.3
68.99815	0.4
69.03433	1.3
70.84461	0.4
71.01375	0.2
71.05000	9.3
73.02900	0.4
75.04478	0.2
81.03415	0.6
83.04988	0.5
85.02911	11.3
87.04478	0.3
91.05465	0.2
97.02892	1.7
99.04444	0.4
107.04961	0.3
109.02880	0.6
111.00800	0.3
111.04494	0.5
119.04942	0.6
121.02898	1.4
125.02366	0.6
127.03934	0.9
129.05493	2.5
135.04488	0.2
137.02332	0.5
143.03371	0.6
145.04987	0.9
147.04427	3.2
147.06537	0.7
151.25291	0.2
153.01817	2.5
157.06490	0.2
165.01883	1.2
183.02910	0.5
195.54605	0.2
201.94388	0.2
210.71768	0.2
212.39502	0.2
213.05463	0.5
231.06516	0.4
241.04816	0.4
258.05389	0.9
286.04715	0.7
287.05511	100.0
288.05829	0.6
288.64130	0.3
301.06992	1.8
359.20859	0.2
391.76932	0.2
449.10815	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	595.166
Annotation	6,8-Di-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
57.03427	3.4
59.01008	1.7
69.03429	3.1
70.74409	3.6
70.74746	1.7
73.02941	1.8
81.03418	3.8
85.02917	7.3
91.05500	2.3
97.02885	2.3
98.20853	2.2
107.05007	1.9
107.83897	1.5
109.02892	3.2
111.04514	1.8
119.04951	7.6
121.02879	32.7
123.04436	2.8
127.03902	3.9
131.04889	2.4
135.04393	1.6
137.05925	1.7
137.72223	1.8
139.03859	3.2
145.02837	4.5
147.04420	3.0
151.03906	2.6
154.72449	1.5
163.03963	3.4
175.04005	1.8
177.01834	3.7
179.03395	4.6
184.55835	1.6
187.03903	2.5
189.01845	9.9
191.03351	5.1
195.02922	4.9
201.05530	2.8
202.72882	1.8
203.03448	10.5
205.04980	1.9
207.02956	5.9
211.03772	1.9
215.03331	4.0
217.04985	5.5
219.02892	5.2
225.08989	1.7
229.04976	4.2
231.03070	3.4
233.04378	2.3
239.03343	2.0
243.03084	2.0
255.02840	2.3
257.04520	2.6
267.06387	2.3
268.07217	5.9
271.06104	5.0
279.06598	4.5
280.07175	1.8
281.08209	5.4
282.05035	1.8
283.06091	8.7
285.04071	3.4
287.05658	8.3
293.08072	4.0
294.05334	21.0
295.06049	76.0
295.52832	1.5
296.06763	4.9
297.04425	1.8
297.07434	10.7
307.06033	42.6
308.06781	16.9
309.04086	2.7
309.07559	14.6
313.07101	5.4
317.07858	2.2
319.06021	6.2
320.06775	4.1
321.07568	25.6
322.08331	10.8
323.05594	3.6
323.09109	6.1
325.07074	92.8
329.08383	2.0
333.07492	9.0
335.05545	3.4
335.09137	15.9
337.07095	58.3
339.08640	3.3
345.07639	3.1
347.09250	10.3
349.07129	33.1
349.11316	2.4
351.08667	23.3
355.08240	16.8
357.07333	1.9
361.07083	19.8
361.10773	2.7
363.08627	5.7
365.06403	1.7
365.10327	13.1
367.08298	6.0
373.07159	6.9
374.07898	2.7
375.08865	9.1
379.08142	49.7
385.07065	2.9
389.10379	2.5
391.08170	32.6
393.09589	2.8
403.08276	22.5
409.09201	48.5
415.08459	3.5
421.09219	21.6
427.10349	35.6
429.09491	2.0
433.10001	3.2
439.10367	28.1
445.10538	5.7
449.11353	2.3
457.11359	100.0
463.10266	4.4
475.12375	20.2
481.11371	27.7
493.11438	2.8
499.12265	22.6
505.11380	5.3
511.12283	27.6
523.12469	23.9
529.13458	12.2
541.13434	21.8
559.06061	2.3
559.14441	30.1
577.15668	15.7
595.17065	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	595.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.1
57.03434	0.3
66.73059	0.1
67.01855	0.2
68.99802	0.3
69.03412	0.2
70.19339	0.2
71.05001	1.5
73.02905	0.2
77.05754	0.1
83.05019	0.1
85.02908	2.1
91.05464	0.1
97.02912	0.5
103.03962	0.1
107.04947	0.1
109.02843	0.1
111.04448	0.1
111.91629	0.1
113.67741	0.1
115.03905	0.1
119.04933	0.2
120.15073	0.1
121.02837	0.1
125.02350	0.4
127.03879	0.4
129.04623	0.1
129.05476	0.5
135.04422	1.1
137.02353	0.4
141.01808	0.2
143.03375	0.3
144.80562	0.1
147.04416	1.3
153.01839	3.7
161.02338	0.4
165.05502	0.1
167.07080	0.1
171.02885	0.2
175.56358	0.1
179.03465	0.2
185.06023	0.1
203.03360	0.2
241.05023	0.4
258.05182	0.2
263.05582	0.1
269.04398	0.3
271.06119	0.1
286.04663	0.2
287.05508	100.0
288.05850	0.6
301.07080	0.5
324.14859	0.1
405.12265	0.1
419.09769	0.4
442.75894	0.1
449.10822	5.7
590.64551	0.1
595.12769	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1658
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
53.21079	0.1
57.03402	0.4
67.01874	0.2
68.99786	0.3
69.50237	1.0
71.05003	3.3
84.72450	0.1
85.02909	4.1
87.59985	0.1
98.20764	0.3
100.40853	0.1
129.05481	1.4
135.04407	1.0
137.02333	0.3
147.06551	0.3
153.01843	3.4
161.02373	0.3
171.02913	0.4
179.03345	0.2
201.29170	0.1
241.04895	0.5
265.31186	0.1
269.04245	0.3
287.05508	100.0
288.05923	0.7
347.44128	0.2
449.10822	21.8
595.16364	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.2
55.01875	6.3
55.05515	30.4
56.00838	4.5
57.03435	18.4
67.02036	4.7
67.05508	61.3
67.37996	3.8
69.07064	20.4
71.04998	7.7
71.53397	6.8
79.05494	61.3
81.03397	7.6
81.07066	56.2
83.04975	5.7
83.08624	16.8
85.02902	5.4
91.05487	52.5
93.07059	86.2
94.80830	6.1
95.04958	14.6
95.08612	57.4
96.08950	8.1
97.02882	6.4
97.06522	9.8
97.10162	6.4
103.05445	5.0
105.07040	55.8
107.04950	13.0
107.08602	61.6
109.06533	6.1
109.10142	18.6
111.08096	8.4
111.69588	4.6
117.07022	25.3
119.08590	48.9
121.06503	9.7
121.10165	23.3
123.08083	4.4
123.11695	6.0
123.76040	5.0
125.00011	7.9
129.07053	11.4
131.08574	12.4
133.10149	36.9
134.09645	13.1
135.11703	61.5
143.08539	5.3
145.09126	6.8
145.10126	39.1
147.11685	28.1
149.09631	4.9
149.13242	5.7
157.10165	8.9
159.11755	10.7
160.11234	52.7
161.13263	13.2
161.68767	4.2
163.11203	75.1
171.11752	4.2
173.13284	6.2
175.14734	7.0
178.12277	41.0
181.12244	12.0
182.23328	4.4
211.39009	4.5
227.12822	100.0
241.19424	24.4
258.08911	39.7
259.20642	60.9
267.15927	5.0
275.20135	5.0
283.15411	77.7
285.07523	36.5
286.07861	34.1
287.05539	21.7
315.23212	9.9
333.24213	95.5
349.23682	5.8
448.13113	10.4
541.35480	43.2
544.36688	6.4
576.34375	7.9
594.27112	9.6
594.35394	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	594.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26188	1.9
52.73914	1.8
53.03935	2.9
55.01881	3.9
55.05516	14.4
57.03443	5.6
65.03953	1.5
67.05511	36.2
69.03404	3.1
69.07075	10.8
70.06588	5.8
71.04999	3.2
71.08632	13.2
71.53495	2.3
79.05499	29.4
81.03408	3.5
81.06591	2.7
81.07065	41.3
83.04984	6.3
83.08622	7.4
85.06555	2.5
91.05489	18.0
93.07052	43.3
95.04977	8.4
95.08614	32.9
97.02913	3.0
97.06551	5.9
97.10187	2.5
99.08106	8.9
105.07030	13.3
107.04996	8.2
107.08593	22.4
109.06522	2.1
109.10158	9.2
111.08038	2.6
113.09652	1.7
117.07007	8.6
119.08594	16.1
121.06493	5.5
121.10152	18.8
123.08118	2.3
125.06013	2.5
125.09648	2.9
129.07043	3.4
131.08568	8.6
133.10155	9.6
135.11707	35.2
141.09117	1.9
145.10138	16.4
147.11707	4.4
149.09622	1.8
149.13281	5.3
151.11208	6.3
153.49988	2.1
157.10185	2.2
159.11665	4.4
161.13275	4.2
163.11188	28.1
165.48068	1.9
179.14311	31.8
181.12250	5.9
223.13264	2.5
227.12776	36.3
241.05017	2.5
245.85579	1.7
269.17392	10.5
273.18900	1.8
274.70175	1.7
277.21616	27.1
283.15439	46.9
285.07510	12.2
286.07944	11.8
287.05612	4.9
291.19482	16.6
351.25305	26.9
352.08984	2.0
365.23212	6.5
385.66104	1.9
525.20453	1.8
559.36346	100.0
594.28058	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	594.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28101	1.4
52.50740	1.4
53.03946	4.5
55.01884	3.7
55.05516	16.7
56.75667	1.9
57.03442	8.9
60.08078	1.6
67.05509	25.9
69.03421	4.6
69.07063	6.2
69.73495	4.3
69.73910	7.0
71.05003	9.3
72.05309	1.5
79.05503	26.4
81.03428	44.5
81.07057	26.9
83.04982	6.3
83.08625	16.6
85.02937	10.0
85.06543	2.4
91.05474	17.9
93.07047	14.9
95.04985	21.3
95.08609	13.2
97.02896	3.4
97.06521	4.8
97.10177	14.9
98.21576	2.9
105.04529	1.6
105.07014	13.4
107.04973	12.6
107.08581	15.8
109.06529	11.5
109.10162	9.3
111.04431	3.0
111.08100	4.8
115.05506	1.6
117.07014	5.2
119.08601	14.2
121.06507	9.1
121.10156	11.1
123.08092	3.3
123.11652	2.3
125.09631	14.0
127.03937	2.3
129.07027	6.0
131.08601	10.5
133.06516	4.9
133.10143	6.1
135.04364	2.0
135.08049	5.7
135.11673	2.0
137.09528	1.8
139.11163	1.8
141.07118	1.9
142.07718	2.3
145.06488	6.0
145.10129	4.9
147.08043	5.2
147.11691	7.3
149.09644	5.2
153.09131	3.5
153.12822	2.5
157.10130	8.2
159.11726	2.1
163.11247	5.2
171.08037	2.8
175.11110	9.2
177.12822	3.6
189.11263	4.5
193.12260	14.5
205.12187	2.0
211.13362	2.4
219.13812	4.4
227.12691	3.6
229.14442	2.7
233.15500	4.4
242.05750	5.2
243.06148	6.7
249.14876	2.0
255.13831	2.3
265.42358	2.0
267.15939	35.7
269.17502	5.1
270.05203	8.1
270.17902	4.7
271.05634	6.2
273.14816	4.4
285.07587	68.0
285.16943	2.6
286.07932	83.9
287.05481	20.5
287.08282	2.1
298.36731	1.7
349.21558	3.8
367.22690	17.1
385.23819	20.8
403.24979	10.0
441.26221	8.0
447.12781	6.5
448.13199	23.5
449.10788	4.8
459.27469	100.0
466.29846	1.8
477.28473	78.9
491.30075	11.8
509.31097	7.4
541.33459	2.9
594.36090	2.5
609.87598	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	593.2753
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
53.04982	0.3
55.06962	0.3
58.85060	0.3
69.72549	1.2
70.74403	0.3
75.48506	0.3
78.38233	0.3
97.54471	0.3
98.21460	0.6
104.89936	0.3
115.86681	0.3
120.71695	0.3
225.36501	0.3
310.34854	0.3
336.33337	0.3
375.16452	0.3
388.16583	0.4
389.18051	0.5
402.18491	0.8
403.19260	1.8
404.19931	0.8
405.20624	1.7
415.19388	0.4
416.20181	0.4
417.16690	1.0
417.21597	2.1
418.21472	1.2
419.22464	2.9
430.17776	0.7
431.18216	6.8
431.23520	0.5
432.18768	2.1
433.24213	4.6
434.24921	0.6
445.19949	7.6
446.20886	3.9
447.21756	4.1
449.23489	0.4
459.21414	3.0
460.22589	8.5
461.23322	8.4
473.23471	2.0
474.24481	0.5
476.26093	0.7
477.22546	0.6
487.25113	1.0
489.26755	0.4
491.24509	0.9
492.25238	1.1
505.22012	5.1
515.24365	0.5
518.23352	0.6
519.24060	0.8
533.25476	26.7
534.25970	0.5
561.25085	0.4
564.23486	1.0
565.28381	0.5
593.27576	100.0
594.28046	1.3
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
53.11009	0.3
60.14469	0.3
69.94931	0.8
69.95347	0.6
98.21484	0.5
116.85227	0.3
120.67084	0.3
160.56229	0.2
189.01859	0.3
211.12260	0.3
211.40384	0.3
243.32457	0.3
349.25122	0.3
388.16760	0.4
389.17661	0.4
390.18604	0.3
401.17511	0.3
402.18573	0.7
403.19247	2.7
404.20129	0.6
405.20767	1.0
416.20432	0.6
417.21249	2.6
418.21671	1.5
419.22388	2.4
429.21353	0.4
430.17429	0.5
431.18198	5.8
432.18576	1.8
433.24173	6.2
434.24759	0.9
445.19901	7.2
446.20868	3.5
447.21762	3.1
459.21521	2.9
460.22598	9.3
461.23309	8.7
473.23654	2.0
474.24057	0.6
476.26083	0.6
477.27484	0.4
487.24716	0.9
489.26346	0.6
491.25156	0.4
492.25244	0.8
504.21143	0.4
505.21869	3.2
518.23444	0.6
519.23834	0.6
533.25513	35.2
534.25952	0.7
547.26874	0.4
564.23669	0.5
565.27911	0.7
575.26526	0.4
593.27588	100.0
594.27826	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01872	1.0
55.05513	2.6
57.03442	4.7
57.07075	0.8
61.02932	8.6
67.05511	10.5
69.03434	6.1
69.06726	0.4
69.07072	4.9
71.04997	4.3
71.53806	0.6
73.02927	3.7
75.38535	0.4
77.03956	0.4
79.05064	0.5
79.05492	5.4
81.03423	4.6
81.07064	16.0
83.04984	2.5
83.08624	3.1
84.06314	0.4
85.02914	14.2
85.06551	2.8
87.00822	0.6
87.04453	0.5
91.03963	5.5
91.05477	3.0
93.07054	11.7
95.04971	1.7
95.08604	5.5
97.02297	0.6
97.02907	9.5
97.06535	2.8
97.10118	0.6
99.04470	1.9
99.08089	0.9
101.02367	1.0
103.03912	0.6
103.46378	0.4
105.01886	0.4
105.07040	2.4
107.04932	0.8
107.08595	5.6
109.02893	2.8
109.06517	0.9
109.10153	2.7
111.04444	1.0
111.08096	2.4
115.03948	1.3
117.05518	0.4
117.07062	2.1
119.04933	0.4
119.08588	1.0
121.06543	0.7
121.10151	4.1
123.04424	0.5
123.08090	0.4
123.11697	1.5
125.09661	0.9
127.03922	6.0
129.05470	1.4
131.04971	0.5
131.08589	2.3
133.06480	1.1
133.10132	1.7
135.04419	0.7
135.11693	2.8
137.05946	0.5
138.07330	0.4
145.04951	2.6
145.10184	0.4
147.04433	0.5
147.11702	0.7
149.09584	0.3
149.13277	9.4
151.03920	0.5
153.01886	1.2
159.11729	3.7
163.06015	1.1
163.14948	0.4
167.06961	0.4
167.14363	0.6
171.06448	0.5
177.12784	3.2
179.14230	0.4
183.06529	1.5
188.07196	0.4
195.13818	7.3
201.07602	1.0
213.14873	1.7
242.05760	7.8
242.08282	0.5
269.17499	38.6
270.05255	8.3
284.06876	3.5
285.07599	100.0
286.07928	2.9
289.02213	0.4
291.26846	1.4
297.16968	1.4
299.09125	7.6
309.27820	1.1
311.18683	2.2
325.12094	0.6
327.08752	0.6
339.17908	0.8
377.19611	1.5
395.20624	1.5
413.21689	6.4
431.23132	0.4
447.12924	13.9
593.18268	0.4
608.30188	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.2
55.05490	0.1
57.03435	0.5
67.05489	0.4
68.99787	0.2
69.03413	0.3
69.07060	0.2
69.35751	0.1
70.30884	0.1
70.98033	0.2
71.04999	3.1
73.02886	0.1
75.04453	0.2
78.38101	0.1
79.05474	0.3
81.03403	0.2
81.07041	0.7
82.07321	0.1
83.04951	0.2
85.02908	3.7
85.06524	0.2
87.00794	0.2
87.04427	0.1
91.05443	0.1
93.07024	0.3
95.08588	0.5
95.32068	0.1
96.98540	0.1
97.02860	0.1
101.05366	0.1
101.06033	0.1
105.07040	0.2
106.24416	0.1
107.08549	0.3
107.87666	0.1
109.02853	0.3
109.10132	0.2
110.58237	0.1
110.93480	0.1
111.04364	0.1
118.04125	0.1
121.10138	0.2
123.11686	0.2
127.03900	0.3
129.05479	0.9
133.06499	0.8
135.04402	0.3
137.06036	0.1
137.13264	0.1
147.11685	0.2
149.13258	0.2
153.01811	1.2
159.04428	0.3
163.14877	0.1
167.03400	0.2
175.04080	0.1
177.05499	0.1
213.05501	0.1
239.07016	0.2
241.05019	0.1
242.05743	8.4
243.06467	0.2
253.04874	0.2
255.06226	0.1
257.08020	0.1
270.05237	9.1
284.06833	0.4
285.07578	100.0
286.07913	0.8
297.07562	1.3
298.05026	0.1
298.08298	0.3
299.09244	0.4
301.07388	0.1
307.26251	0.1
312.06256	0.3
315.05124	0.1
323.09326	0.2
325.27557	0.2
326.27820	0.1
327.08652	1.6
327.28293	0.1
330.07355	0.4
337.10886	0.2
345.09698	4.5
351.08673	0.7
381.09869	0.3
393.09879	0.2
395.11432	0.2
411.10797	0.3
413.12585	0.2
429.11847	0.6
431.13254	0.5
447.12891	16.7
448.13379	0.2
593.18719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1864
Annotation	Linarin
Peak:m/z	Relative Intensity
56.83052	0.1
57.03430	0.5
60.99056	0.1
62.01794	0.1
70.51492	0.3
70.51861	0.3
71.05000	3.0
85.02913	3.1
98.21520	0.1
119.38585	0.2
129.05501	0.7
131.09752	0.2
133.06488	0.9
135.04398	0.3
153.01802	1.5
159.04488	0.4
171.02925	0.2
177.05505	0.2
199.77254	0.1
239.07330	0.2
242.03159	0.3
242.03783	0.2
242.05756	9.5
270.05249	10.4
285.07590	100.0
286.07904	0.4
333.92041	0.2
447.12915	14.3
608.13452	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	592.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
55.01872	2.9
55.05516	16.4
57.03426	7.0
57.54081	2.1
58.46203	2.4
67.05171	4.0
67.05505	43.1
69.07065	14.1
71.04984	2.9
71.08624	16.9
73.06550	3.0
79.05496	58.9
81.03405	8.5
81.07057	52.3
83.04987	13.3
83.08616	8.8
85.06544	3.5
91.05479	50.5
93.07047	66.8
95.04974	12.5
95.08611	38.3
97.06521	6.4
97.10178	3.9
99.08089	10.2
105.04520	3.6
105.07032	34.6
107.04946	5.9
107.08605	30.1
109.06503	5.0
109.10176	12.9
117.07011	7.5
119.08588	27.5
121.10168	17.9
123.08058	4.6
128.06232	2.7
129.07048	13.3
131.08528	6.3
133.06453	2.5
133.10159	14.3
135.11681	15.4
137.09682	3.5
143.08554	9.1
145.10132	7.8
147.11696	29.5
149.13281	6.3
151.11192	8.6
159.11713	6.4
161.09613	3.6
161.13261	15.5
163.11229	3.1
171.11665	14.6
173.13286	3.1
175.14890	3.8
179.14313	34.1
189.12749	7.1
207.13800	14.7
221.35587	2.4
241.19629	2.5
259.20663	9.0
277.21658	39.6
281.17480	60.2
285.07635	11.5
333.24179	5.2
351.11078	2.6
351.25293	31.2
539.37360	5.5
557.29694	4.9
557.38409	100.0
592.44000	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	593.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.2
58.04949	0.1
69.93077	0.4
71.04997	0.7
73.02930	0.1
85.02908	1.3
95.46906	0.1
97.02888	0.2
98.21402	0.2
107.99114	0.1
115.03951	0.1
122.78310	0.1
129.05547	0.2
133.06523	0.7
135.04385	0.3
141.01797	0.1
153.01805	1.1
159.04439	0.2
239.06973	0.2
242.05748	9.5
270.05246	9.5
285.07587	100.0
286.07932	1.2
417.11856	0.4
447.12897	5.0
556.86572	0.1
561.24628	0.1
593.15009	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33147	0.9
53.03931	2.7
55.05271	1.0
55.05511	11.2
57.03219	0.9
57.03439	9.0
57.07077	36.7
57.32048	0.9
65.03943	2.6
67.05505	55.8
68.64325	1.2
69.07072	15.7
71.04976	2.0
71.08634	24.6
79.05495	30.5
81.07059	59.6
83.04997	1.5
83.08620	15.2
85.06538	1.5
85.10196	12.9
89.06040	2.9
89.38463	0.9
89.49011	1.0
91.05476	16.0
93.07047	37.7
95.04984	2.0
95.08613	59.5
97.06527	2.5
97.10183	6.2
99.08070	1.8
105.07043	10.9
107.08595	27.2
108.22017	1.0
108.53770	1.1
109.06505	1.7
109.10156	26.1
111.08128	1.7
111.11646	1.2
113.09663	1.1
117.07017	6.2
119.08587	11.1
121.10158	19.6
123.08089	1.4
123.11720	11.9
131.08559	13.2
133.10141	13.4
135.11705	15.0
137.09613	1.5
137.13251	6.3
145.10129	7.4
147.11678	10.2
149.13248	10.8
150.86754	1.4
159.11697	9.6
161.13237	6.2
163.14844	6.2
173.13271	9.8
173.97377	1.1
175.14783	2.5
177.16399	1.9
187.14861	4.9
201.16347	1.5
233.22638	2.8
239.23712	4.3
243.21106	12.1
257.24725	1.5
261.22147	56.9
277.21741	1.1
279.23145	1.6
291.23166	1.8
296.44333	1.1
313.27368	100.0
314.27573	1.8
317.24744	13.6
335.25815	71.0
353.27036	1.2
406.32855	1.2
499.45630	1.6
502.61703	1.1
508.92963	1.0
573.48706	26.6
591.49841	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	592.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.2
55.01859	3.7
55.05516	25.5
57.03441	8.4
57.07072	3.8
67.05180	5.5
67.05513	69.6
69.07073	20.6
70.46745	9.2
70.47102	6.2
71.05000	7.8
71.08630	6.0
72.26846	3.4
78.70847	3.0
79.05499	91.0
81.03423	10.9
81.07064	59.8
83.04987	14.8
83.08624	9.0
91.05483	100.0
93.07050	97.4
95.04977	17.9
95.08131	3.5
95.08624	37.1
97.06532	6.5
97.10194	5.2
105.07035	83.3
107.04943	11.1
107.08598	37.5
109.06516	9.1
109.10163	13.3
117.07016	23.6
119.08578	57.4
121.06495	5.1
121.10168	21.1
123.08051	6.7
128.06235	3.6
129.07018	23.4
131.08582	24.4
133.10144	35.0
135.07977	4.0
135.11732	16.6
143.08533	16.8
145.10155	22.9
147.11696	57.0
149.13257	8.3
151.64874	3.5
157.10190	6.7
159.11700	14.0
161.09572	5.3
161.13257	33.9
163.14850	4.4
169.10168	5.1
171.11682	26.9
173.13257	10.3
173.56384	3.7
175.14838	12.1
176.04562	3.7
185.13286	7.8
189.12743	12.5
199.14786	7.4
207.12109	3.5
207.13817	21.3
219.11528	4.5
231.21011	5.3
241.19554	23.3
257.18936	3.9
259.20587	57.4
259.23111	5.8
261.22043	4.1
279.15976	11.9
281.17511	68.9
285.07559	22.2
293.21194	4.8
315.23273	4.2
333.24219	53.2
539.37427	56.8
557.38263	12.0
574.38269	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08494	1.8
53.03941	5.9
55.01875	9.1
55.05515	12.2
56.57386	2.0
57.03437	6.7
57.07062	6.2
59.05004	1.9
61.02922	2.4
62.57926	1.8
67.05506	28.2
68.99804	2.5
69.03435	31.5
69.06725	2.5
69.07070	31.7
69.20386	10.2
69.20811	8.9
70.06561	2.2
71.04993	9.8
73.02917	3.9
73.65672	2.0
79.05502	12.7
81.03060	2.0
81.03435	23.0
81.07059	88.9
83.04983	3.8
83.08632	9.2
84.87406	1.9
85.02908	57.4
85.06544	20.1
85.50208	1.8
87.00829	22.2
91.05478	11.1
93.07049	30.1
95.04977	6.9
95.08611	83.8
97.02895	18.3
97.06535	7.3
97.10168	6.2
99.04453	8.2
99.08087	11.0
105.01872	14.5
105.07035	23.7
107.04884	2.0
107.08603	35.4
109.02891	15.2
109.06526	5.1
109.10162	35.5
111.08082	29.0
111.11691	4.3
113.09616	3.1
117.01846	3.4
117.06969	2.0
119.08581	19.4
121.06544	1.7
121.10143	27.0
123.08093	4.5
123.11721	32.6
125.09626	11.4
127.03928	39.5
127.11196	4.1
129.01891	3.7
131.08553	2.7
133.10136	14.0
135.11665	15.7
137.09596	2.3
137.13203	9.6
139.11159	12.3
143.08585	1.9
145.04945	9.8
145.10156	7.6
147.11714	18.8
149.13272	14.9
151.03886	1.9
151.11185	4.6
151.14735	2.0
153.12744	6.8
157.10034	3.0
159.02925	8.5
159.11699	10.8
161.13274	9.4
163.14851	8.5
165.12758	8.3
173.13297	3.0
175.14830	5.1
177.05501	2.5
177.16394	5.7
179.14320	5.0
187.14868	5.9
189.16383	3.5
191.18001	3.1
193.15903	2.6
201.16342	2.7
203.18021	2.1
203.58923	1.9
215.17966	5.6
219.17183	2.4
219.20920	1.9
225.18465	4.8
231.04974	6.3
237.18600	2.2
239.20192	2.3
263.23599	4.1
271.24191	5.8
277.25272	4.2
285.07568	4.5
289.25272	37.1
295.26294	22.6
307.26303	87.2
325.27380	100.0
333.24866	2.0
342.22922	1.8
349.27060	2.1
415.28296	2.4
490.47916	2.1
555.31628	7.3
573.32324	3.1
591.27228	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	591.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.3
55.01874	9.5
55.05513	11.6
55.16502	2.7
57.03439	23.0
58.10472	2.3
58.71671	2.1
61.02932	86.2
64.10577	2.3
67.05511	22.1
67.27917	1.9
69.03089	2.8
69.03439	40.6
69.07066	4.5
69.52267	8.3
69.52670	5.3
70.06589	2.2
71.01364	8.5
71.04986	7.2
72.59787	2.2
73.02923	34.6
73.99912	2.1
75.04471	3.7
76.69909	2.2
79.05495	24.5
81.02929	2.9
81.03424	96.9
81.07063	16.7
83.04990	7.2
83.08627	15.3
85.02913	100.0
87.04472	5.5
91.03962	59.3
91.05479	22.2
93.07056	16.3
94.50925	2.9
95.01331	3.7
95.04976	57.9
95.08575	5.6
97.02895	82.5
97.06571	3.4
97.10172	8.1
98.21496	3.3
99.04483	13.9
101.02382	8.1
103.03965	13.9
103.05494	2.6
105.07043	15.7
107.04969	15.0
107.08611	9.6
109.02899	21.9
109.06518	10.0
109.10181	4.2
111.04433	6.7
111.08118	5.9
115.03947	8.1
115.05381	2.3
117.07027	8.0
119.04936	5.1
119.08582	9.4
121.02884	2.5
121.06513	16.0
121.10175	6.0
123.04428	31.3
123.08083	4.6
125.09636	4.4
127.03926	31.1
129.05513	3.4
129.07005	13.4
131.04922	5.6
131.08583	11.2
133.06519	8.3
133.10152	7.7
135.04431	2.7
135.08118	5.5
135.11678	5.6
137.02423	2.9
137.05966	7.2
139.03851	2.1
141.07001	3.6
143.08533	4.7
145.04996	17.1
145.06519	5.5
145.10117	13.3
147.04422	18.4
147.08130	6.9
147.11674	8.5
149.06015	6.2
149.09636	8.3
151.03926	2.5
155.08559	3.7
157.10138	9.0
159.06573	4.0
159.07953	3.1
159.11705	3.4
161.06006	5.2
161.09647	4.3
163.06052	5.0
163.11197	17.2
169.10220	2.7
171.04440	3.1
171.11678	5.4
173.09619	5.4
174.06772	2.7
175.11192	7.4
177.05492	3.8
183.06517	5.9
189.05347	3.6
189.11230	2.5
189.12755	5.5
191.10658	3.3
193.12286	20.2
201.07607	4.7
205.12241	4.8
207.13782	5.0
211.13284	7.0
217.12282	7.2
223.13336	4.5
231.13791	4.0
231.15985	2.4
235.13304	60.8
246.90450	2.4
249.14894	12.9
253.14392	11.6
259.13287	22.8
267.15945	47.7
271.46063	2.4
273.14877	25.1
277.14487	12.5
283.13245	10.0
285.17084	4.7
289.14417	6.1
291.15961	2.9
295.15280	3.4
301.14352	36.0
309.17007	52.9
315.16006	3.6
319.15469	13.4
321.17035	4.0
333.16992	5.2
337.16522	6.6
343.15320	4.3
351.17953	14.5
357.17145	3.5
363.17981	8.0
375.18060	40.9
393.19122	26.9
411.20142	25.4
411.42862	2.5
417.19049	5.7
429.20767	5.6
435.20071	4.0
453.21390	5.8
467.68655	2.5
519.22131	4.7
537.23346	4.3
591.18671	3.4
591.27112	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	591.2605
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
53.02972	0.2
55.05505	0.8
57.03427	0.3
63.07795	0.2
65.01806	0.2
65.88887	0.2
67.05516	1.8
69.07059	0.7
70.08417	0.2
70.10153	0.6
73.65258	0.2
75.32288	0.2
79.05497	0.8
81.07070	1.6
83.04956	0.2
83.08644	0.5
87.02229	0.2
91.05492	0.6
93.07051	0.7
95.08604	1.3
98.20683	0.2
105.07039	0.6
107.08604	0.7
109.10190	0.7
116.72302	0.2
119.08615	0.7
119.72751	0.2
121.10176	0.5
123.11790	0.3
129.06999	0.5
131.08623	0.5
133.09116	0.2
133.10121	0.5
135.11713	0.2
141.07024	0.4
143.08582	0.8
145.10139	0.8
149.13345	0.2
155.08591	0.9
156.09361	0.3
157.10172	0.8
159.11716	0.5
167.08595	0.3
169.10178	1.5
171.11720	0.8
173.13203	0.3
181.10158	0.7
183.11693	1.0
185.13280	0.6
195.11736	0.8
197.13335	1.0
209.13329	0.8
211.14812	0.5
221.13252	0.3
223.14949	0.6
225.16362	0.6
235.14816	0.4
237.16437	0.6
237.39116	0.2
239.17862	0.4
251.18105	0.3
255.86209	0.3
267.21262	0.3
347.23596	0.2
381.27908	0.3
399.16660	0.3
400.17172	0.4
401.18011	0.4
402.18918	0.4
404.20822	0.3
413.18011	0.4
414.18549	0.6
415.19162	3.1
416.19946	1.6
417.20926	0.4
428.20267	0.7
429.15805	0.4
429.20941	5.6
430.21802	2.9
431.22430	1.5
433.23828	0.5
443.22696	2.3
444.23621	5.7
445.24335	4.1
446.24792	0.7
448.26233	0.8
457.19839	0.6
457.24768	0.6
458.19891	0.4
458.24878	0.9
459.21228	1.7
459.25711	3.0
460.22998	0.3
461.23938	0.4
469.24286	0.3
471.22073	0.5
472.22687	2.7
473.23444	4.8
474.24493	2.3
475.25504	0.5
476.22409	0.3
485.23743	1.4
486.24457	0.6
487.24997	19.5
488.25684	0.4
489.22910	1.5
490.23575	0.4
502.24094	0.2
503.25128	1.3
504.25119	0.3
515.24585	1.0
516.21527	0.3
517.22363	0.7
517.40619	1.1
518.23187	0.7
531.23981	13.1
532.24603	4.6
535.41498	0.8
563.26831	0.4
573.43103	0.4
576.24078	0.4
591.26062	100.0
591.43677	9.6
592.26514	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.0
54.27399	1.9
54.38364	1.7
55.01884	11.8
55.05518	13.5
57.03428	4.8
65.03932	2.5
67.05164	2.8
67.05511	32.4
69.07074	16.7
69.69629	11.1
75.20079	1.8
79.05503	41.8
81.03420	7.1
81.07060	39.5
83.04990	7.1
83.08612	4.3
91.04971	3.1
91.05495	44.0
93.07055	36.6
95.01317	4.6
95.04989	10.6
95.08618	22.4
97.06541	25.2
97.10206	3.8
98.20836	2.3
105.07039	55.5
107.04955	9.5
107.08588	10.4
109.06483	2.8
109.10153	6.6
117.07026	9.5
119.08592	25.5
121.06490	3.3
121.10158	5.2
123.08096	2.5
129.06990	5.1
131.08583	11.3
131.30205	1.9
133.10158	27.1
133.54163	1.7
135.08096	2.5
135.11684	2.7
141.07085	2.4
143.08568	4.2
145.10176	11.6
147.11716	18.6
149.09631	5.1
149.13235	2.5
159.11702	5.5
161.13287	6.7
163.11179	4.0
163.86317	1.9
171.11702	9.6
173.13286	2.0
179.14319	5.2
187.15012	1.9
189.12695	3.2
207.13805	9.0
219.17374	2.8
239.18034	1.8
247.20607	3.1
257.18982	4.8
275.20093	58.5
279.16034	3.0
281.17484	44.6
293.21121	4.4
337.99017	2.2
349.23792	20.5
412.56290	2.0
440.69693	1.7
555.36902	100.0
556.52313	1.9
590.42438	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	590.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01884	1.2
55.05525	7.4
56.10919	1.0
57.03446	16.0
57.07080	29.0
67.05509	15.9
69.07069	8.8
71.04986	1.4
71.08636	25.0
75.04453	1.0
79.05506	9.0
81.03423	65.1
81.07067	16.9
83.04987	3.5
83.08625	20.8
85.10187	13.4
89.06021	1.0
91.05482	12.6
93.07064	7.1
93.12759	1.0
95.04967	18.9
95.08615	19.6
97.02872	2.3
97.06528	1.4
97.10162	4.5
98.21527	2.7
99.08033	1.1
99.11730	1.6
103.07643	1.5
105.07054	7.9
105.22261	1.0
107.04939	3.4
107.08585	3.9
109.06519	1.8
109.10166	8.3
111.04390	1.5
111.08083	4.0
111.11747	1.8
117.07046	1.9
119.08595	10.6
119.83469	1.0
121.06561	1.6
121.10125	4.9
123.11697	3.2
129.07010	4.8
131.08601	5.8
133.06493	1.8
133.10138	4.2
135.11748	1.1
137.09636	1.9
137.13232	1.2
142.07765	1.3
143.50288	1.0
145.10161	1.4
147.08037	1.9
147.11693	6.4
149.09616	4.1
157.10126	6.7
165.12796	1.6
175.11171	7.2
185.63007	1.0
193.12250	23.4
211.13437	1.2
239.23769	1.8
242.19823	1.2
249.14812	2.7
257.24866	2.2
259.20682	1.3
260.20901	2.0
267.15933	100.0
313.27377	97.2
313.31143	2.4
314.27728	2.6
505.38910	76.6
506.39334	1.8
590.48401	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	589.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63682	1.5
53.03940	3.3
55.05514	17.4
57.03446	9.4
57.07079	41.4
59.43007	1.5
59.64232	1.6
65.03946	1.9
67.05511	41.3
69.07071	16.7
71.04987	2.1
71.08635	26.1
71.14526	3.5
79.05070	2.3
79.05501	32.8
81.03418	4.0
81.07064	40.7
83.05019	2.1
83.08617	17.1
85.06557	2.1
85.10182	18.0
89.06035	3.3
91.05489	42.7
93.07052	32.9
95.04945	3.9
95.08616	37.2
97.06538	2.2
97.10167	6.1
99.08108	3.7
103.05430	2.2
105.07038	46.6
107.08601	20.3
109.06535	2.1
109.10165	18.4
111.08045	2.0
117.07015	13.2
119.08586	46.0
121.10159	16.4
123.11668	5.7
129.05450	1.7
129.07013	9.8
131.08566	16.7
133.10138	31.8
135.11717	12.9
136.36620	1.5
137.13246	3.5
143.08565	7.3
145.10135	17.4
147.11687	34.8
149.09630	2.4
149.13258	11.2
151.11107	2.9
157.10176	8.2
159.11708	15.4
161.13280	27.9
163.11241	2.7
163.14854	3.9
167.22787	1.6
171.11676	11.6
173.13274	9.3
175.14853	12.4
177.12714	2.1
179.14262	2.4
185.13327	10.3
187.14873	2.7
189.12859	2.7
199.14850	5.4
213.16418	3.3
217.19601	2.0
231.21048	9.5
239.17955	2.2
239.23659	5.4
241.19504	40.4
259.20587	96.5
267.15927	3.4
275.20154	2.1
277.21631	5.0
313.27368	100.0
315.23169	4.7
333.24249	46.4
505.38474	3.1
571.47321	8.2
589.48444	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	589.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
53.86517	0.7
55.01871	1.1
55.05265	1.4
55.05513	17.3
57.03185	1.3
57.03444	11.6
57.07080	45.3
58.72177	0.8
63.81725	0.8
65.03956	1.6
67.05508	44.8
69.03447	0.7
69.07072	19.4
69.51611	1.4
69.52017	4.4
71.04987	3.4
71.08636	31.7
77.03920	1.1
79.05495	33.8
81.07062	45.9
83.04993	1.9
83.08624	15.3
85.06530	3.0
85.10190	15.6
89.06035	1.9
91.05486	52.8
93.07047	42.5
95.04964	3.2
95.08613	46.3
97.06538	2.9
97.10178	6.9
98.20789	1.6
99.08092	2.3
105.04543	1.3
105.07037	55.5
107.08602	23.6
109.10158	18.9
111.08093	1.4
111.32945	0.9
113.09679	1.3
114.36230	0.9
117.07029	16.5
119.08587	47.1
121.06542	0.9
121.10151	19.3
123.11687	6.1
125.09657	1.2
128.06207	2.0
129.07008	9.2
131.08574	19.7
133.10136	40.6
135.08044	1.3
135.11684	16.2
136.12813	0.8
137.09584	1.1
137.13286	2.1
139.14857	0.8
142.07797	1.0
143.08569	8.4
144.09367	0.9
145.10135	18.1
147.11700	44.4
149.09601	1.2
149.13272	12.3
151.11163	0.8
156.60609	0.8
157.10138	7.6
159.11693	15.2
161.09631	1.0
161.13264	27.0
163.11201	2.3
163.14865	2.6
165.12810	1.1
165.93707	0.7
169.10077	1.3
169.98720	0.8
171.11688	13.4
173.13280	10.2
175.14836	12.2
177.12796	1.3
185.13271	8.9
187.14830	2.3
189.12698	1.7
189.58058	0.9
199.14813	5.6
213.16412	3.1
215.17967	1.3
217.15915	1.2
217.19571	1.9
220.84691	0.8
231.17494	1.3
231.21046	7.6
239.23779	4.8
241.19524	36.4
257.18860	1.0
257.24716	2.8
259.20581	93.3
275.20068	2.3
277.21634	2.7
289.21768	1.1
313.27380	100.0
314.27847	1.2
315.23193	7.5
333.24246	52.9
351.25238	2.5
497.43295	2.0
571.47333	11.5
589.48309	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	589.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.9
54.60094	1.5
55.01866	10.1
55.05269	2.5
55.05513	32.5
57.03439	7.7
57.07067	3.6
65.03934	2.8
67.05510	51.0
69.03435	7.8
69.07070	28.2
71.04988	3.4
71.08626	2.0
71.53530	2.7
79.05499	72.1
81.03420	11.7
81.07057	48.9
83.04990	12.8
83.08624	12.8
85.02916	1.7
85.06536	3.4
87.04540	1.5
91.05488	51.1
93.07044	55.9
95.04971	21.9
95.08617	26.5
97.02856	7.6
97.06516	5.8
97.10165	17.2
99.08081	2.1
103.05427	1.9
105.04510	3.3
105.07033	38.4
107.04949	10.6
107.08605	22.3
109.02843	2.2
109.06509	5.6
109.10159	13.7
111.08083	2.7
115.05419	2.1
117.07016	14.4
119.04996	2.5
119.08582	29.3
121.06495	7.1
121.10139	7.5
123.04315	2.1
123.08089	14.8
123.11707	3.0
125.09619	9.6
128.06221	3.6
129.07007	16.0
131.08589	11.9
133.06485	4.0
133.10136	12.4
135.08064	4.9
135.11711	4.8
137.09589	5.1
142.07901	1.8
143.08556	6.9
145.10124	15.2
147.08046	12.9
147.11696	24.4
149.09607	3.4
149.13242	2.8
155.08469	1.9
157.10109	4.4
159.11668	5.4
161.09616	6.1
161.13287	9.6
163.11185	4.4
165.09126	2.0
169.10138	2.6
169.12222	1.9
170.42830	1.8
171.11678	16.0
175.11171	2.6
177.12744	2.9
179.14296	1.6
187.13257	3.4
189.11180	6.7
189.12744	7.1
193.12234	2.5
205.12241	3.3
207.13783	17.6
223.13289	12.3
227.12863	12.6
241.27873	1.6
245.19102	1.9
249.14900	2.7
273.16284	1.8
273.18552	18.7
279.15979	2.6
281.17474	45.6
291.19562	100.0
313.20862	1.7
331.30457	2.0
347.22205	2.5
365.23245	26.9
439.95917	1.8
473.28778	3.0
498.84573	1.6
553.35150	5.5
571.36365	90.2
589.36389	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	589.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.8
55.01877	3.2
55.05518	1.1
57.03429	2.2
59.37719	0.6
61.02921	2.5
61.05981	0.5
64.98930	0.5
65.03943	0.9
67.05492	2.0
68.99787	0.9
69.03433	13.2
69.07065	3.4
71.04987	1.8
71.18727	1.2
73.02921	2.4
79.05496	3.1
81.03420	12.6
81.07063	6.1
81.31395	0.5
83.04988	0.7
83.08624	0.9
85.02909	19.0
85.06538	1.7
87.00835	7.6
87.04506	0.6
87.17856	0.6
91.03948	1.1
91.05489	5.2
93.07043	3.4
94.04222	4.2
95.04961	2.5
95.08606	2.9
97.02895	8.7
97.06528	1.5
99.04465	4.1
99.08094	0.9
103.05476	4.2
105.01865	4.6
105.07036	5.5
107.04939	1.7
107.08598	2.4
109.02218	1.1
109.02892	11.1
109.06527	3.1
109.10175	3.3
111.08059	1.3
111.11742	0.8
115.03960	0.7
115.05500	3.6
116.50217	0.6
117.01851	1.3
117.07003	2.2
118.06386	0.6
119.08591	3.9
121.06535	1.0
121.10145	1.8
122.03651	6.3
123.11735	2.5
124.47683	0.6
125.09600	0.8
127.03922	15.4
128.06236	1.8
129.01871	1.6
129.06996	2.9
131.04936	6.6
131.08517	0.7
132.05716	3.6
133.06506	2.8
133.10208	1.1
135.11731	1.5
137.05983	100.0
139.03931	0.7
139.11206	1.6
141.06960	1.1
143.04906	0.6
145.04971	4.0
145.06425	1.0
145.10078	0.9
146.03648	1.2
147.02745	0.7
147.04401	1.7
147.08028	4.7
149.05983	1.1
149.13182	1.0
151.03912	0.7
155.10689	0.8
156.05737	0.9
159.02893	5.0
159.08054	1.2
159.11613	0.7
160.05200	2.4
161.05978	10.9
163.07541	16.5
167.07051	1.4
171.08029	1.3
173.09596	0.6
175.07555	58.7
179.07091	1.0
184.05197	1.9
187.07539	4.7
190.07764	0.8
191.08575	2.7
199.07564	14.5
201.09161	1.9
202.07784	4.6
203.08583	9.5
205.06535	0.8
218.07263	0.6
219.02167	0.6
219.08083	5.3
220.08824	2.7
225.08875	0.6
230.07159	0.9
231.04982	1.8
231.08069	13.8
232.08885	2.3
233.09686	0.9
235.07617	1.3
235.11266	1.0
236.08130	1.1
237.09068	1.0
243.07852	0.7
247.07558	3.1
248.08308	6.3
249.09193	1.3
251.10675	3.3
253.08600	0.7
258.06818	1.1
259.07553	6.9
260.08386	4.1
261.09204	1.3
263.10721	7.0
265.08731	1.2
276.07803	4.2
277.08569	4.3
279.10107	3.9
287.23581	0.9
291.10165	16.8
292.10837	3.9
293.08081	3.5
293.24628	0.9
295.09833	0.8
295.13254	1.9
296.10617	0.7
303.10123	0.8
305.24780	2.5
308.10397	3.7
311.12811	10.1
315.10242	0.8
321.11411	0.8
323.12793	39.7
323.25610	4.3
325.14365	5.1
335.12726	1.9
341.13968	0.8
341.26855	1.4
365.13672	0.7
401.13696	0.8
419.14749	0.9
589.27557	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93792	0.6
53.03934	1.8
55.01864	2.6
57.03429	1.4
58.19337	0.7
61.02922	1.8
61.64426	0.7
67.05511	1.0
68.03477	0.6
68.99790	1.4
69.03432	9.1
69.07069	1.5
70.19337	0.6
71.04990	0.7
73.02919	1.8
74.58769	0.7
79.05483	2.6
81.03423	10.2
81.07065	3.5
84.00822	0.6
85.02909	17.6
85.06537	1.2
86.09729	0.6
87.00850	5.4
91.05497	4.3
91.05985	0.9
93.07041	1.6
94.04181	3.0
94.12077	0.7
95.04962	0.9
95.08600	1.6
97.02882	5.4
99.04453	2.9
103.03949	0.8
103.05459	1.8
105.01871	5.1
105.07034	6.9
107.04987	1.5
107.08579	1.6
109.02887	7.9
109.06542	1.9
109.10142	0.9
111.08045	0.9
115.05453	3.0
117.06987	1.2
119.08586	2.2
120.08179	0.7
121.06483	0.8
121.10120	0.8
122.03655	7.1
123.11713	1.1
126.31875	0.8
127.03930	14.5
129.01843	1.3
129.06998	2.4
131.04973	1.5
131.08609	1.1
132.05693	1.8
133.06488	3.9
135.11693	1.2
137.05983	100.0
141.07018	0.8
143.04962	1.0
143.05992	0.8
144.05734	1.0
145.04976	5.2
145.06273	1.2
146.03545	1.0
147.02953	1.1
147.04414	2.8
147.08099	3.4
149.06007	2.1
151.03928	1.3
151.07542	1.2
151.11459	0.7
155.04936	2.0
157.06448	0.9
159.02921	4.8
159.08076	2.7
160.05183	1.6
161.05988	18.4
163.07584	1.9
167.07085	1.4
169.06516	0.9
172.05211	2.0
175.07558	27.2
175.09033	1.4
177.05486	1.4
179.07076	1.5
184.05272	1.4
187.07565	9.7
189.07014	1.1
189.09094	1.4
190.07832	2.8
191.07011	0.7
191.08563	9.0
193.54904	0.6
199.07571	5.4
202.07834	4.0
202.84679	0.6
203.06903	1.0
203.08556	5.9
205.06526	1.3
207.08096	0.8
208.08791	1.5
217.08530	0.9
218.07314	2.4
219.08076	12.9
220.08774	3.2
229.08640	1.3
231.05034	2.0
231.08069	12.2
232.08806	1.6
233.09650	1.5
233.41287	0.8
235.07576	0.9
236.08350	3.0
237.09254	1.0
247.07539	6.0
248.08311	5.8
249.09065	2.2
251.10684	18.5
258.06750	1.4
259.07593	8.2
260.08194	3.4
261.09149	1.8
263.10791	5.6
264.07846	2.6
265.08478	1.7
273.09149	0.9
275.07126	1.2
276.07840	4.9
277.08551	1.5
279.10178	14.9
280.11017	2.4
281.08014	1.3
291.10156	17.9
292.10974	2.3
293.08292	1.2
295.13388	0.8
296.10486	1.4
297.11169	0.9
303.10114	1.6
305.11703	0.8
305.24512	1.1
308.10443	2.8
309.11288	1.6
311.12784	44.6
321.11176	2.0
323.12787	33.2
323.25787	1.6
333.11093	1.0
335.12796	2.5
341.13760	2.8
347.12964	1.0
353.13724	1.9
359.12921	0.9
365.14154	1.1
372.19580	0.7
377.13687	1.3
391.14551	0.7
401.13882	2.1
419.14935	0.9
505.14835	0.8
523.16174	1.5
541.17676	1.2
588.01508	0.9
589.26550	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01859	2.2
57.03442	0.7
58.51064	0.6
61.02893	0.9
67.33778	0.7
68.99772	1.0
69.03436	9.4
71.04990	1.4
71.08356	1.2
73.02921	1.2
79.05485	1.8
81.03425	7.9
81.07024	1.1
85.02912	14.8
87.00849	7.0
91.05481	2.5
94.04185	2.9
97.02885	5.0
99.04455	2.6
103.05493	0.7
104.06328	0.7
105.01868	3.9
105.07063	4.2
107.04995	0.9
107.08591	0.7
109.02900	6.8
109.06534	1.4
115.03992	0.6
115.05478	3.8
117.01958	0.8
117.07021	2.0
117.77589	0.8
119.04914	1.1
119.08586	2.3
121.06514	0.9
122.03676	6.3
127.03934	13.7
128.06244	1.7
129.01880	1.3
129.06999	2.1
131.04912	2.5
132.05711	2.8
133.06482	3.2
137.05988	100.0
138.06284	0.7
145.04971	3.9
145.06520	1.7
146.03641	0.8
147.04382	1.6
147.08067	3.8
149.05986	2.6
151.07549	1.4
157.06522	1.0
159.02960	4.8
159.08066	3.3
160.05212	2.1
161.05997	15.7
163.07661	1.6
172.05133	0.9
175.07570	30.0
177.16385	1.0
179.07071	1.1
184.05205	1.0
185.05927	0.8
187.07579	8.3
189.05484	1.1
189.07079	0.6
189.09114	1.1
190.07832	2.8
191.06926	1.1
191.08551	8.0
199.07570	6.8
201.09038	0.7
202.07819	2.8
203.08615	5.2
208.08813	1.6
213.18552	0.7
217.08699	0.8
218.07329	2.2
219.08060	10.0
220.08832	3.0
221.09541	1.1
229.08553	0.9
230.07463	0.8
231.05052	2.8
231.08075	8.4
232.08904	0.8
233.09621	0.9
235.07600	1.1
235.11287	1.3
236.08391	1.9
241.08542	0.7
247.07579	5.8
248.08377	4.7
249.09178	1.2
251.10687	15.1
258.06894	0.9
259.07516	5.4
260.08322	1.3
261.09131	2.3
262.09827	0.9
263.10727	5.0
264.07870	1.9
265.08600	2.1
267.10477	0.9
275.10794	0.7
276.07825	2.9
277.08554	1.7
279.10181	10.7
280.10934	1.5
281.08142	1.0
288.07849	0.7
291.10156	14.8
292.11023	1.9
293.08078	0.9
295.13312	0.8
296.10312	1.3
303.10135	0.9
308.10464	2.2
309.11218	1.3
311.12784	39.0
321.11267	1.9
323.12796	23.0
333.11267	1.0
335.12845	3.1
341.13901	1.9
347.12805	1.2
353.13873	1.9
377.14160	1.3
392.29898	0.8
401.13986	1.8
429.15778	0.9
523.15063	0.8
553.40771	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.01885	1.2
55.05515	13.6
57.03442	11.0
57.07073	8.4
67.05505	10.4
69.07068	16.3
71.08640	6.9
79.05505	10.1
81.03421	42.0
81.07065	11.2
83.04982	2.4
83.08627	25.5
85.10181	2.9
91.05482	10.5
93.07046	5.9
95.04979	12.6
95.08621	6.7
97.02926	1.6
97.06507	2.5
97.10165	10.4
98.21495	3.7
105.07039	9.5
107.04972	2.7
107.08596	3.6
109.06528	2.2
109.10175	1.4
111.08082	4.6
111.11713	3.6
113.05998	1.2
119.08592	6.8
121.06535	1.4
121.10133	5.3
122.65012	1.5
129.07036	6.2
131.08556	5.6
131.32668	1.3
133.06514	1.7
133.10164	3.6
135.11670	2.1
145.10052	2.8
147.08110	1.5
147.11667	4.1
149.09631	3.8
157.10152	4.5
175.11203	4.4
193.12236	15.5
267.15927	100.0
289.59344	1.2
301.56195	1.6
311.25824	54.4
313.27396	3.9
315.14227	1.7
423.01877	1.4
503.37335	39.3
577.33392	1.6
588.38904	2.2
588.46796	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	589.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83405	0.5
53.03947	1.4
55.01861	2.6
57.03424	1.5
61.02916	1.1
65.03918	0.9
66.04704	1.2
68.99787	0.9
69.03090	0.7
69.03432	10.0
69.07058	0.6
70.06576	0.6
71.04987	1.2
71.43183	0.5
71.53506	1.0
73.02919	1.0
79.05495	2.0
81.03419	7.7
81.07056	2.3
85.02906	15.4
86.09677	0.7
87.00840	6.0
87.04478	0.7
91.05489	4.1
93.07001	1.3
93.56984	0.6
94.04176	2.5
95.04964	1.3
95.08601	1.1
97.02884	6.5
97.06516	0.7
99.04450	2.9
100.45623	0.6
103.03960	0.9
103.05466	1.8
105.01865	4.4
105.07032	6.4
107.04960	2.4
107.08581	0.7
109.02878	7.2
109.06503	2.3
109.10150	1.5
109.51756	0.7
115.03891	1.1
115.05454	3.7
117.07049	1.8
119.04963	1.1
119.08561	2.2
121.06504	0.9
121.10115	0.9
122.03664	6.6
123.11720	0.7
124.03145	0.7
127.03919	14.5
128.06201	1.6
129.01880	1.0
129.06985	3.2
131.04951	2.0
132.05713	2.5
133.02882	1.0
133.06470	4.1
134.88789	0.6
137.05980	100.0
141.06969	1.2
144.05673	1.3
145.04935	3.8
145.06514	1.6
146.03644	1.1
147.02904	1.3
147.04416	1.8
147.08055	2.6
149.05957	1.6
151.07559	1.2
155.04921	1.5
157.06462	0.9
159.02895	3.3
159.08067	2.9
160.05208	2.4
161.05986	17.5
163.07532	1.4
167.07083	3.2
171.08095	1.5
172.05219	1.3
175.07553	30.4
177.05545	0.8
179.07056	2.1
184.05147	1.2
185.06044	0.6
187.07538	12.0
189.03978	0.8
189.05508	0.8
189.07027	1.0
189.09167	0.8
190.07782	2.1
191.08556	7.8
199.07545	8.7
202.07813	2.5
203.08615	6.3
205.06523	0.7
208.08879	0.7
217.08563	2.2
218.07104	2.9
219.08080	12.6
220.08908	2.4
221.09508	1.1
229.08629	2.3
230.07146	1.0
231.04987	0.8
231.05827	0.8
231.08069	7.1
232.08797	1.5
233.09724	1.2
235.07516	1.4
235.11223	0.8
236.05980	0.7
236.08295	2.1
247.07541	6.5
248.08322	4.2
249.09126	1.8
251.10695	14.1
253.08658	0.8
259.07596	5.0
260.08313	3.2
261.09146	1.7
263.10760	4.0
264.07956	0.9
265.08560	1.4
275.07004	0.9
276.07730	3.5
277.08603	3.0
279.10214	11.1
280.10974	1.6
281.08054	0.9
281.11746	0.8
290.09262	1.2
291.10159	11.9
292.10925	2.0
293.08170	1.7
296.10391	1.4
303.10208	1.5
308.10519	2.1
309.11172	1.4
311.12778	33.5
321.11188	1.5
323.09064	0.7
323.12762	21.4
323.25638	1.0
325.10944	0.9
333.11298	1.4
335.12842	1.9
341.13910	4.8
350.11533	0.7
351.12317	1.5
353.13983	2.1
365.13858	2.1
377.13861	0.9
383.14899	1.0
401.14081	1.2
411.07568	0.7
431.15027	0.8
449.16364	0.9
523.16101	1.0
589.26215	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.0
55.01667	0.8
55.01875	8.7
55.05515	16.8
55.72023	0.7
57.07076	30.2
65.03933	3.1
67.05506	41.7
69.03436	1.9
69.07072	29.9
71.05009	1.6
71.08633	17.6
71.17119	1.1
71.17455	1.3
77.07756	0.8
79.05497	26.9
81.03411	4.1
81.07060	52.4
83.04982	7.7
83.08627	12.0
85.06533	1.5
85.10185	8.5
91.04903	1.0
91.05484	35.9
93.07051	28.2
95.01335	9.3
95.04971	6.2
95.08611	42.1
97.06536	14.3
97.10174	5.7
99.08071	2.0
103.05479	1.6
105.04552	1.2
105.07035	51.0
105.87110	0.8
107.04963	14.3
107.08596	14.0
109.06514	2.3
109.10166	12.8
113.09651	1.4
115.05450	1.0
117.07028	11.0
119.08588	26.6
121.06528	1.8
121.10154	7.0
123.04398	1.7
123.08068	2.8
123.11694	2.9
125.09640	1.3
129.07010	2.6
130.07806	0.9
131.04976	0.8
131.08577	17.1
133.09114	1.7
133.10133	29.7
135.08081	2.3
135.11710	6.0
137.09639	1.1
137.13190	1.1
139.07561	0.9
141.07004	1.1
143.08557	2.5
145.06538	1.2
145.10143	14.1
147.11702	12.2
149.09608	6.3
149.13300	3.6
151.11240	1.5
155.08537	1.3
157.10129	1.5
159.11679	9.1
161.13225	5.0
163.11143	4.3
163.14807	1.2
164.61971	0.8
165.09134	1.1
165.12767	1.6
169.10110	1.2
171.11662	2.4
173.13290	1.9
175.11255	1.1
177.12752	2.8
179.14323	17.3
183.11682	1.9
185.13208	1.0
187.11226	2.4
197.13268	2.1
229.19507	2.0
237.22035	1.2
239.17970	2.4
239.23689	2.7
241.71579	0.9
247.20596	1.5
257.19095	6.5
275.20074	71.9
277.21564	1.3
293.21075	4.3
313.27316	2.4
331.22702	1.2
349.23746	2.6
350.67838	0.9
587.46698	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83186	0.5
53.03942	1.6
55.01867	2.5
55.05508	1.0
56.83438	0.4
57.03435	3.4
61.02930	3.1
64.62714	0.4
67.05502	0.9
68.99806	2.5
69.03434	16.1
69.07067	0.6
70.15752	0.4
70.79226	0.8
71.01353	2.1
71.04997	2.0
73.02917	2.9
79.05499	0.8
81.03418	12.0
81.07057	1.1
82.03732	0.5
83.01363	1.0
83.04967	1.5
85.02909	100.0
87.00830	17.8
91.03968	0.7
91.05482	0.8
93.07055	0.7
95.01331	5.2
95.04953	1.2
97.02898	17.5
99.00818	0.9
99.04449	5.4
101.02407	1.0
103.03938	3.4
105.01871	36.3
105.07057	0.7
107.08595	0.9
109.02882	15.8
111.04441	1.6
113.02384	3.1
114.30408	0.5
117.01868	1.1
120.36510	0.5
123.04469	1.4
125.02359	1.5
127.03924	41.1
129.01865	3.8
129.05551	0.5
137.05983	0.7
139.03918	0.9
141.01834	15.7
145.04967	15.0
147.02895	3.5
147.04372	0.7
147.06543	1.0
151.03926	1.8
153.01880	0.8
155.03357	0.7
159.02904	10.7
159.04121	0.8
163.03973	0.6
169.04985	1.2
171.02924	0.8
173.04555	0.7
175.03981	0.6
177.03978	1.2
178.05003	0.6
187.06123	0.7
189.03941	6.8
189.05534	0.6
193.04887	0.6
207.03017	0.9
213.03958	4.2
218.02521	0.6
219.04910	0.7
220.48592	0.5
223.06119	1.0
225.03960	1.1
231.02733	1.2
231.05006	17.9
233.06560	0.9
243.05135	1.7
249.03711	0.4
249.06076	9.2
253.11916	0.4
261.06107	3.3
267.05042	2.7
268.92941	0.5
273.06094	6.6
285.05994	3.7
300.74585	0.5
303.07169	2.3
304.57632	0.4
371.06198	0.9
389.07251	4.1
407.08292	3.3
586.10626	1.3
586.30475	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	586.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.8
53.03935	2.0
55.01857	1.9
57.03427	0.6
63.03772	0.5
65.03930	2.5
65.80374	0.6
67.05486	1.0
69.03420	0.6
70.06573	1.8
71.05002	0.8
71.06912	0.9
71.07268	0.6
75.04488	3.1
75.20934	0.7
77.03930	0.6
78.04700	2.2
79.05482	2.3
81.03415	0.8
81.07040	1.0
85.02914	4.4
86.09685	0.9
89.03898	1.0
89.06018	1.7
91.05486	12.1
93.03419	9.8
93.07056	4.7
95.04964	4.3
97.06522	2.6
103.05467	5.9
105.07030	3.2
106.04179	25.5
107.04957	0.9
108.05744	0.6
109.06513	0.8
115.05469	0.7
117.03393	1.1
119.04931	2.1
121.06512	25.9
122.07255	0.8
123.04430	0.8
123.08075	1.4
125.05165	0.8
125.06004	7.4
127.03856	0.6
131.04919	2.5
133.02869	4.6
133.06490	4.1
134.03662	3.1
134.04553	0.5
135.04430	1.3
135.08087	0.8
137.05956	4.7
138.06807	0.8
139.07521	2.8
145.02815	1.4
147.04387	2.2
148.05209	1.9
149.05986	38.2
151.07504	2.1
152.08226	0.7
153.05418	1.7
153.09103	10.5
161.05960	7.7
163.07584	3.0
165.05519	1.3
166.06348	0.7
167.07039	0.6
177.05482	19.0
177.09096	0.9
179.07051	1.9
181.08617	18.5
184.63933	0.5
191.07034	11.1
193.08626	6.7
209.08102	100.0
241.09900	0.9
247.09538	0.6
253.09703	0.9
255.11362	0.8
271.06067	0.9
286.04166	0.6
301.11871	0.7
309.28830	0.5
316.72900	0.5
321.73566	0.6
329.11530	0.7
339.12222	0.9
341.14038	0.7
453.71603	0.6
539.56018	0.7
568.18945	0.7
586.20416	4.5
586.30127	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
55.05504	3.6
57.03440	1.3
57.07072	1.3
67.05508	8.8
67.05845	1.1
69.03410	0.6
69.07072	5.8
69.18095	3.8
69.18519	1.9
71.04993	1.0
71.08634	0.8
79.05501	3.4
81.07060	9.2
82.07393	0.8
83.05026	0.6
83.08624	3.0
85.06553	0.7
88.12107	0.5
89.06045	1.8
91.05486	3.8
93.07059	4.5
95.04980	1.1
95.08614	7.0
97.06559	0.7
97.10162	1.9
98.20712	1.0
105.07039	4.1
107.08585	4.3
109.06450	0.7
109.10162	11.2
111.08114	0.6
117.07019	1.2
119.08594	3.4
120.08903	0.6
121.10144	2.4
123.11716	1.0
127.11197	1.3
129.06967	0.6
131.08582	1.7
133.10161	2.1
135.11707	2.0
143.08554	0.9
145.10109	2.9
147.11749	1.3
157.10100	1.0
159.11684	2.0
161.13298	0.9
169.10120	0.8
171.11655	0.9
173.13219	0.6
175.14886	0.9
183.11661	0.6
209.13332	1.3
221.15521	0.8
249.11000	26.6
257.18936	0.7
275.20135	1.2
305.13608	2.6
328.32175	0.6
337.27417	2.1
506.39374	1.6
517.50879	0.6
550.41724	1.5
584.56171	1.8
585.37561	100.0
586.37714	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
54.75969	1.2
55.05515	6.8
57.07078	7.4
59.05006	1.8
61.41102	1.2
65.03939	2.3
67.05499	9.0
68.52177	1.1
69.03423	3.8
69.07076	6.7
71.08627	1.3
72.44764	1.3
74.84611	1.1
79.05497	14.6
81.07066	17.9
83.04966	3.5
83.08595	3.4
85.06545	3.3
85.10151	1.0
89.06033	7.4
91.05485	21.9
93.06473	2.2
93.07043	29.6
95.04963	5.4
95.08606	17.7
97.06516	1.9
98.21508	3.5
103.05479	1.9
105.07033	41.8
106.07825	2.5
107.08593	23.6
108.09425	1.4
109.06510	5.3
109.10177	9.0
115.05434	2.9
116.06181	1.1
117.07037	13.3
119.08587	57.5
120.09392	2.4
121.06493	4.0
121.10155	15.3
123.08076	6.6
123.11736	3.1
125.06032	1.3
128.06235	6.0
129.07014	11.1
130.07794	3.6
131.08572	28.9
132.09320	2.1
133.06485	2.7
133.08621	2.4
133.10133	28.0
135.08070	9.4
135.11684	10.2
137.09653	7.7
139.07484	1.6
141.07013	4.6
142.07785	12.1
143.08574	25.5
144.09363	7.9
145.06470	3.2
145.10126	36.2
146.10846	1.5
147.08055	10.5
147.11702	10.9
149.09622	4.4
149.13333	1.2
151.07530	4.0
153.06927	1.7
154.07852	1.1
155.08539	8.5
156.09319	10.1
157.06506	1.2
157.10132	39.5
158.10852	4.8
159.08051	6.1
159.11688	23.0
160.08826	3.2
160.12456	2.1
161.09621	6.0
161.13292	5.9
163.11150	6.9
165.06987	1.7
165.09103	21.0
167.08577	4.6
168.09419	2.7
169.10143	12.8
170.10901	6.2
171.08011	1.5
171.11687	23.2
172.12444	5.4
173.09628	4.1
173.13304	10.7
175.11188	10.4
175.14835	6.8
177.12720	2.8
179.08549	5.4
180.09300	1.9
181.10124	7.7
181.12239	4.6
182.10872	4.5
183.11697	15.8
184.12399	3.0
185.09642	2.4
185.13260	12.6
187.11234	2.6
187.14842	5.7
189.12723	4.1
190.13524	4.7
191.10701	1.8
191.14272	3.1
192.09370	2.6
193.10144	4.6
193.12257	7.8
194.10899	4.1
195.11705	9.9
195.13600	2.4
196.12471	2.1
197.09605	2.5
197.13272	12.5
198.10329	1.6
198.13924	2.9
199.11130	3.5
199.14856	5.7
201.12807	3.6
201.16417	3.2
203.14255	10.2
205.10120	1.8
205.12219	1.3
206.10890	1.5
207.11682	7.6
207.13821	6.8
208.12401	3.1
208.14581	3.9
209.13278	9.3
210.13976	2.2
211.11259	2.9
211.14841	8.7
213.12756	1.8
213.16406	2.0
214.13589	1.3
217.15871	2.3
219.11784	1.4
219.13802	2.4
220.12517	1.7
221.13283	5.2
221.15358	47.4
222.15875	1.8
223.14865	9.9
224.15656	2.6
225.12779	2.5
225.16411	3.8
226.17046	1.4
227.14197	2.8
229.15750	1.4
229.51126	1.5
233.13315	1.9
234.16080	5.5
235.14836	5.8
237.12730	3.5
237.16420	5.8
238.17038	1.5
245.13216	1.6
247.14706	1.7
247.16971	7.0
249.16304	3.6
250.17142	1.3
251.14220	1.4
251.18060	2.4
253.15945	2.1
255.17409	1.3
257.15488	1.7
257.19052	2.4
261.16370	1.5
263.18030	2.7
265.15790	1.7
265.19482	3.6
267.17407	1.4
271.16977	3.2
271.20557	3.2
274.19180	1.9
275.17957	2.2
279.17365	1.7
281.18964	3.9
285.18649	2.8
286.19345	3.5
287.20178	2.2
289.19525	1.7
291.17447	1.6
296.21329	1.7
297.21906	2.1
299.20084	10.6
309.18680	2.5
309.22198	1.6
311.20120	1.9
311.29294	1.5
312.20877	2.5
312.24313	2.8
319.20551	1.9
325.21664	8.6
337.21588	6.5
339.23175	2.0
352.23978	60.8
365.24768	9.6
371.22815	1.6
377.77060	1.2
378.25589	1.9
391.26373	2.6
391.31241	1.4
397.27121	2.5
398.27960	6.6
404.30664	5.3
411.28625	1.6
412.29773	14.2
425.30484	3.5
431.29480	1.7
438.31296	13.1
489.33453	3.7
490.34363	1.8
491.35254	9.8
492.35809	5.6
504.36020	100.0
566.40729	2.4
569.39984	1.7
584.42078	19.9
584.56213	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	584.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50055	1.2
51.02380	1.4
53.03936	2.6
55.05516	8.7
57.07077	13.2
59.04995	3.0
65.03934	1.3
67.05505	15.6
69.03429	5.5
69.07070	11.1
70.07430	1.4
70.08987	5.9
70.74855	1.2
71.08632	3.3
79.05502	16.4
80.06237	2.3
81.03439	1.8
81.07054	24.3
82.07398	2.1
83.04986	4.7
83.08614	5.3
85.06538	4.6
89.06049	9.2
91.05488	28.8
92.05809	1.5
93.07042	38.6
94.07365	1.6
95.04952	7.0
95.08608	30.1
97.06527	5.0
97.10150	1.7
98.21423	1.7
103.05482	3.2
105.07037	53.8
105.91240	1.3
106.07861	1.8
107.08597	31.7
108.08859	1.9
109.06499	6.7
109.10159	14.2
111.08111	1.3
115.05464	3.8
117.07014	14.4
119.06181	1.5
119.08585	64.8
120.09380	2.1
121.06490	4.8
121.10145	21.5
123.08051	9.8
123.11716	4.1
125.06024	2.5
125.09651	1.6
128.06218	4.1
129.07007	15.0
130.07794	5.7
130.08688	1.4
131.08574	29.3
131.47519	1.6
132.09331	2.1
132.92467	1.4
133.06497	2.7
133.08606	6.3
133.10136	29.8
134.10576	1.3
135.08061	11.2
135.11711	11.5
137.05963	2.2
137.09613	6.6
141.06990	4.9
142.07794	13.5
143.08577	30.6
144.09366	9.6
145.06570	2.0
145.10132	46.3
145.11285	2.3
146.10719	2.3
147.08058	15.4
147.11693	14.3
149.09576	9.2
149.13264	2.7
151.07545	5.9
151.11203	2.7
153.06944	2.2
155.08597	13.9
156.09332	12.5
157.10144	47.0
158.10851	5.7
159.08069	3.9
159.11690	26.6
160.12428	1.7
161.09642	6.2
161.13269	6.2
163.11147	9.7
165.07018	2.3
165.09132	22.5
166.07813	2.2
167.08591	6.5
168.09283	4.6
169.10124	16.7
170.10870	7.7
171.11719	25.3
172.12534	6.6
173.09669	2.7
173.13272	16.3
174.13959	1.8
175.11208	9.0
175.14836	9.3
177.11278	3.2
177.12749	4.0
179.08606	4.8
179.10603	1.4
180.09261	3.4
181.10106	11.4
181.12215	7.1
182.10905	5.2
183.11700	21.1
184.12447	4.0
185.09612	1.5
185.13263	12.7
187.11182	3.9
187.14812	6.7
189.12778	4.0
190.13593	3.0
191.10704	2.8
191.14317	3.4
192.09290	1.7
193.10182	6.6
193.12256	8.5
194.10909	4.1
195.11688	13.9
196.12486	3.9
197.09595	2.6
197.13271	16.4
198.10533	2.2
198.14066	2.9
199.11201	3.8
199.14825	4.9
200.63120	1.5
201.12669	3.4
201.16426	3.0
203.14331	10.4
205.10146	1.6
206.11032	1.7
207.11696	6.4
207.13831	5.0
208.12431	4.3
208.14597	5.1
209.09633	1.6
209.13264	11.4
210.13991	2.9
211.11299	3.4
211.14867	8.4
212.15491	1.4
213.12634	2.7
213.16403	2.3
215.14333	1.4
217.15886	3.9
219.11794	2.0
219.13803	3.6
221.13266	5.6
221.15361	46.5
222.13850	2.0
222.15794	2.6
223.14842	11.7
225.12766	1.8
225.16360	4.1
227.14528	2.3
229.12172	2.1
229.15742	1.9
231.11685	1.8
233.13217	3.0
233.15457	1.7
234.14073	1.4
234.16115	6.2
235.14836	4.6
237.12723	3.9
237.16351	4.1
239.17955	2.6
244.14679	1.3
247.14725	1.7
247.17010	7.8
249.16362	4.5
251.17967	1.9
251.37508	1.3
253.15866	1.7
255.17628	1.9
256.26230	1.8
261.16364	3.1
263.18027	2.0
265.19537	2.2
267.17636	2.0
271.17236	1.8
271.20505	3.5
279.17310	1.9
281.19058	2.1
283.17435	1.9
283.20471	2.5
286.19345	2.2
287.20233	2.2
291.17477	1.8
296.21405	1.9
299.20255	8.4
300.20908	2.9
303.20895	1.6
311.14868	3.2
311.29333	2.3
312.20935	2.2
312.24420	2.4
313.21600	2.5
325.21530	8.1
337.21567	7.7
339.23074	2.0
352.23972	61.4
365.24869	10.0
371.22662	4.3
383.25903	1.7
391.26270	2.7
397.27206	2.6
398.28311	6.4
404.30804	5.2
411.29086	2.3
412.29761	15.8
423.29376	1.9
425.30502	3.1
438.31329	14.4
489.33508	4.5
491.35034	9.9
492.35745	9.0
504.36014	100.0
505.36700	2.1
529.37213	1.7
549.40540	4.6
566.40851	3.0
584.42041	25.7
584.56122	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	584.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.0
55.05521	20.4
57.07077	13.9
59.10405	2.4
60.41724	2.3
61.51564	2.2
65.03952	3.6
67.05511	28.4
69.03426	5.5
69.07070	19.5
70.06587	4.0
70.64992	5.6
70.65344	2.4
71.04963	2.5
71.08620	4.7
79.05498	27.8
80.06258	2.8
81.07061	39.7
83.04969	6.7
83.08608	10.0
85.06535	4.5
88.07639	2.9
89.06018	2.5
91.05488	56.2
93.07043	64.8
95.04977	19.1
95.08607	35.3
97.06504	4.4
103.05463	2.4
105.07034	85.4
107.04931	3.5
107.08599	49.0
109.06510	8.0
109.10149	28.1
115.05460	6.7
116.06282	3.8
117.07024	23.9
119.08586	100.0
119.48917	2.3
120.09367	6.8
121.06504	8.3
121.10155	44.4
123.08059	15.7
123.11707	11.0
128.05345	2.4
128.06215	13.9
129.07018	23.6
130.07770	8.5
131.08575	65.4
132.09315	4.1
133.08601	3.0
133.10130	53.8
135.08073	11.2
135.11676	16.9
137.09599	9.8
138.10390	3.7
139.11113	2.7
141.06989	12.1
142.07773	20.5
143.08572	45.9
144.09387	11.7
145.06425	4.7
145.10130	77.5
147.08066	10.5
147.11708	28.3
149.09633	10.9
149.13243	4.4
151.07503	3.0
151.11169	5.5
153.07013	3.8
155.08578	16.7
156.09340	19.7
157.10138	60.5
158.10851	7.8
159.08069	15.2
159.11700	44.8
161.09637	10.7
161.13275	10.2
163.11157	5.3
165.06996	8.9
165.09132	9.4
166.07779	3.8
167.08588	11.9
167.10658	3.3
168.09320	7.1
169.10138	29.7
170.10901	8.5
171.11707	36.3
172.12378	4.0
173.09720	4.7
173.13271	30.2
174.10362	3.0
175.11247	6.8
175.14851	18.0
177.12845	3.1
179.08551	13.0
180.09297	4.0
181.10156	22.0
182.10881	9.2
183.11697	35.0
184.12447	7.8
185.09601	3.4
185.13293	24.3
186.13942	4.2
187.11169	5.3
187.14847	14.8
189.12737	7.7
191.08571	2.8
191.14307	4.8
192.09352	6.5
193.10161	16.6
194.10904	9.3
195.11674	25.0
196.12450	7.7
197.09644	2.8
197.13257	28.8
198.13857	4.4
199.11166	4.2
199.14818	12.9
201.12741	7.2
201.16373	7.2
203.14337	11.0
205.10132	4.7
206.10918	6.8
207.11713	18.8
208.12463	7.8
209.13283	26.5
210.14067	4.9
211.14851	16.4
212.15419	3.4
213.12779	5.5
213.16296	6.4
215.14311	4.7
217.15846	6.3
218.16595	4.3
219.11754	2.8
219.17480	4.2
220.12405	3.7
221.13185	13.6
221.15425	11.9
222.13756	5.3
222.15842	3.5
223.14832	17.2
224.15543	4.4
225.12769	3.5
225.16301	12.2
227.14322	5.0
229.15825	3.6
230.59720	2.5
231.11577	3.6
233.13181	6.2
233.15410	13.6
234.14009	3.4
235.14796	11.0
236.15442	5.1
237.16441	12.2
239.17923	5.1
241.15773	4.2
241.19525	3.2
245.13315	3.5
247.14754	8.2
249.16399	9.4
251.18056	5.3
253.15834	3.5
253.19609	4.7
255.17433	27.3
257.19028	4.9
259.20624	3.3
261.16333	5.8
262.17273	3.7
263.18039	5.9
265.19516	3.8
269.19000	6.0
270.19763	4.1
271.20560	5.5
275.17728	3.5
277.19699	2.9
279.21109	2.9
281.18933	4.7
283.26358	2.5
285.22134	5.1
289.19495	4.8
291.17474	2.7
297.22116	9.2
300.28860	5.1
309.22113	3.2
311.29370	9.4
321.22104	3.7
345.22009	2.7
349.25128	4.8
354.25595	5.8
360.24719	5.0
367.26385	3.4
404.30646	3.1
413.28256	4.0
446.31949	4.3
474.34921	3.0
492.36212	11.4
551.39075	4.2
566.40796	18.1
584.42096	71.9
584.55804	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	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.9
55.05511	21.8
57.07079	11.8
59.05005	3.7
65.03925	5.6
67.05509	26.2
69.03426	7.5
69.07072	23.6
70.94137	3.0
71.53757	5.5
77.03919	3.8
79.05502	33.1
81.03440	3.0
81.07061	43.7
83.04997	11.0
83.08627	12.3
85.06557	10.0
89.06008	3.3
90.83507	3.4
91.05481	59.3
93.07038	67.0
95.04962	9.3
95.08609	34.5
97.06521	6.7
97.10200	4.3
99.41769	3.2
103.05488	3.8
105.04502	4.1
105.07035	86.4
107.05001	7.1
107.08601	49.4
108.05639	3.4
109.06545	9.7
109.10148	27.1
115.05478	6.7
117.07022	21.0
119.08587	100.0
121.06544	5.1
121.10150	61.5
123.08069	8.9
123.11720	4.2
125.09670	5.8
128.06259	11.2
129.07010	18.4
130.07768	5.7
131.08571	41.6
133.10126	48.3
135.08040	8.9
135.11674	22.0
137.09628	7.7
139.11188	6.8
141.07028	10.7
142.07791	20.7
143.08582	39.6
144.09366	14.0
145.10127	54.6
147.08069	14.5
147.11746	16.7
149.09624	12.7
149.13219	3.9
151.07561	8.5
153.06978	7.0
155.08563	20.5
155.10570	4.5
156.09319	16.4
157.10135	56.5
158.10933	10.0
159.08118	5.2
159.11690	24.3
161.09660	9.9
161.13277	6.9
163.11148	4.4
165.07008	7.8
165.09187	12.9
167.08549	9.7
167.10690	46.1
168.09341	10.2
169.10178	28.7
170.10960	7.8
171.11690	26.7
171.19165	3.6
173.09724	3.2
173.13268	28.4
175.11189	8.0
175.14778	16.4
179.08553	15.3
180.09386	6.1
181.10146	19.4
181.12279	6.9
182.10925	10.0
183.11700	30.2
184.12502	9.5
185.13249	12.6
187.11380	4.0
187.14828	11.4
189.12752	7.0
191.14355	8.0
192.09326	5.5
193.10118	11.3
194.10899	12.8
195.11740	16.0
196.12521	9.4
197.13203	28.7
199.11177	4.4
199.14798	26.5
201.16376	5.0
203.14342	7.6
205.10162	4.0
206.10960	9.1
207.11713	18.8
207.13646	5.5
208.12521	5.5
209.13287	24.7
210.13913	3.2
211.10953	3.1
211.14848	12.4
215.14426	4.6
217.10133	5.3
217.15855	19.8
218.10968	3.9
219.11673	4.9
220.12540	8.7
221.13268	18.8
221.15419	23.0
222.13948	5.3
223.14825	17.8
225.16379	5.2
231.11670	4.4
232.12419	5.0
233.13243	11.1
233.15434	14.4
234.14090	3.4
235.14871	13.4
236.15495	3.2
237.16444	6.8
243.11433	4.4
245.13254	9.2
246.14073	5.1
247.14885	9.7
249.16469	7.9
251.18016	6.5
257.18927	6.1
259.14951	4.9
261.16336	12.1
263.18015	10.3
265.16107	4.0
265.19565	6.4
269.18927	3.9
273.16437	5.6
275.17908	7.1
283.20560	14.6
285.18671	5.6
289.19733	4.0
303.21042	3.7
331.24335	5.6
349.25269	8.2
361.93716	3.6
375.27054	4.2
417.61676	3.3
522.74408	4.5
547.39325	3.7
565.40479	23.4
583.41388	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	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	2.1
55.05523	6.5
57.07079	5.3
59.05004	1.3
62.74207	1.2
65.03943	1.6
67.05505	13.1
69.03441	3.1
69.07070	6.9
71.08638	1.6
78.40675	1.2
79.05495	9.6
81.07069	12.8
83.04983	2.0
83.08636	3.6
85.06557	2.0
91.05482	12.5
93.07058	19.3
95.04976	3.9
95.08608	18.0
97.06528	2.4
105.07041	25.0
105.07690	2.0
107.04945	1.4
107.08602	12.1
109.06533	3.7
109.10169	8.0
113.09677	1.6
117.07038	4.8
119.08589	23.4
121.06532	2.7
121.10159	15.5
123.08088	10.8
123.11703	2.5
128.06221	2.5
129.07053	5.5
130.07768	1.5
131.08591	9.9
133.10147	11.7
135.08064	7.0
135.11731	3.8
137.09616	6.7
141.07050	3.0
142.07819	5.8
143.08554	10.0
145.10123	15.7
147.08060	11.0
147.11752	5.0
149.09660	2.8
151.07553	11.1
155.08595	5.7
156.09398	4.1
157.10156	19.0
158.10973	2.1
159.08011	2.4
159.11702	10.6
161.09647	3.1
161.13309	4.0
163.11258	3.1
165.07037	2.2
165.09106	22.8
167.08591	4.1
169.10164	7.2
170.10953	2.9
171.11687	10.8
173.09550	1.3
173.13260	7.3
175.11317	2.4
175.14955	2.7
179.08571	2.2
180.09401	1.9
181.10103	6.1
182.10947	2.7
183.11693	7.5
184.12616	1.4
185.13261	8.4
187.11108	1.6
187.14838	3.0
189.12820	3.9
191.10837	1.3
191.14297	2.7
193.10205	3.4
194.10980	3.9
195.11761	6.4
195.13431	1.4
196.12502	2.8
197.13167	8.6
199.14871	3.7
202.49345	1.3
203.14328	12.3
206.11012	1.2
207.11761	6.0
207.13841	6.2
208.12469	1.8
209.13310	7.8
210.14101	1.4
211.14890	4.5
215.14374	1.4
219.11865	2.5
219.17535	1.6
220.12497	1.8
221.13287	5.0
221.15346	39.3
223.14806	6.3
225.16414	1.9
232.12665	1.3
233.13211	3.1
235.14870	4.7
237.16440	2.7
245.13388	1.3
247.14862	2.7
249.16496	2.4
251.18114	2.9
253.19643	2.0
257.19150	1.7
259.14911	2.0
263.18033	2.9
265.19623	1.6
271.20639	1.8
273.16519	1.8
277.19604	2.7
283.20700	2.5
287.20468	1.8
289.19568	1.6
295.20825	3.0
297.22333	3.6
341.31027	1.6
349.25119	2.0
352.24149	1.4
357.25391	1.6
375.26987	5.2
403.30164	5.7
498.69839	1.4
503.35284	4.9
509.34714	2.7
547.39514	2.4
565.40503	23.9
583.41620	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
55.05510	10.7
57.07074	6.0
59.04997	2.6
65.03957	2.5
66.90905	1.3
67.05515	17.0
69.03426	5.6
69.07071	14.1
69.37347	10.3
69.52828	1.1
77.03932	1.8
79.05489	15.4
81.07068	21.3
83.04987	4.7
83.08599	6.8
85.06542	3.1
85.99802	1.2
91.05489	32.4
93.07050	44.9
95.04955	8.0
95.08044	2.5
95.08614	25.4
96.83481	1.5
97.06535	5.6
101.86475	1.4
103.05479	3.5
105.04510	2.3
105.07037	52.5
107.08599	30.3
107.09306	2.1
109.06531	4.5
109.10162	17.9
111.08108	3.1
113.09641	1.3
115.05477	2.9
116.06232	1.5
117.07035	14.1
119.08591	57.1
121.06514	3.1
121.10148	38.3
121.45602	1.3
123.08075	10.9
123.11728	5.2
125.06001	3.4
125.09649	3.8
128.05414	1.5
128.06175	8.1
129.07028	12.4
130.07805	4.8
131.08569	23.1
133.10138	28.7
135.08089	4.4
135.11729	11.3
137.09641	7.1
137.13243	1.4
139.11183	2.5
141.06979	7.4
142.07785	14.7
143.08583	24.7
144.09375	6.0
145.06509	2.1
145.10132	35.3
147.08055	8.0
147.11696	11.8
149.09657	6.2
149.13249	2.5
151.07570	9.7
153.07025	4.5
154.07739	3.5
155.08586	10.7
155.10626	1.6
156.09338	10.2
157.10152	37.3
158.10901	5.1
159.08101	4.8
159.11682	17.9
161.09650	4.0
161.13303	4.6
163.11246	5.4
165.07043	4.0
165.09138	10.4
166.07817	3.8
167.08563	7.4
167.10689	25.4
168.09378	4.3
169.10138	20.3
170.10960	5.7
171.11705	21.7
172.12238	1.5
173.09668	3.6
173.13274	15.9
175.11247	2.3
175.14828	7.2
179.08507	8.8
180.09357	3.9
181.10143	11.4
181.12259	5.1
182.10950	5.0
183.11714	21.4
184.12505	3.4
185.09761	1.7
185.13271	12.9
187.11211	2.5
187.14848	4.9
189.12773	4.9
189.16512	1.5
191.14421	4.7
192.09357	3.6
193.10089	10.7
194.10910	7.8
195.11699	15.6
196.12491	4.4
197.13290	14.1
199.11243	1.9
199.14885	9.7
201.12785	2.3
201.16399	3.4
203.14346	3.1
205.10118	3.3
206.10968	5.7
207.11745	12.3
207.13815	6.8
208.12529	5.8
209.13263	18.1
210.14076	4.0
211.14799	10.4
213.12956	2.1
213.16405	3.7
215.14389	3.5
217.10179	3.3
217.15936	5.8
218.10944	2.3
219.11748	4.8
219.17413	2.3
220.12521	4.5
221.13272	11.0
221.15425	19.6
222.14116	3.8
223.14821	11.0
224.15605	2.8
225.12849	2.6
225.16405	4.6
227.17993	2.3
229.10246	1.7
231.11781	3.3
232.12494	3.5
233.13635	7.8
233.15234	9.2
234.14063	2.3
235.14835	8.8
236.15579	2.0
237.16446	7.4
239.14417	1.8
239.17987	3.5
241.15901	1.6
241.19542	1.7
243.11732	2.6
244.12576	2.8
245.13322	3.7
246.14116	3.1
247.14865	7.2
248.15672	2.8
249.16420	7.1
251.18039	5.5
253.19466	3.2
255.17488	2.3
257.13275	2.0
257.19125	4.0
258.14169	2.5
259.14871	4.4
260.15646	2.5
261.16418	7.6
262.17188	2.3
263.18015	4.5
265.19565	5.4
269.18967	4.7
271.14862	3.0
273.16364	4.8
275.17853	8.0
276.18793	1.5
277.19586	3.8
279.21176	1.8
281.19028	2.0
283.20532	9.2
285.18915	1.5
287.17868	3.0
289.19632	3.6
291.21228	2.4
293.18933	2.3
295.20441	2.9
295.34116	1.4
297.22162	3.0
301.19348	1.9
307.20654	1.9
329.22617	2.6
331.24344	4.2
335.23779	3.8
347.23877	2.0
349.25241	3.2
357.25711	2.7
359.23355	1.7
361.25623	1.8
365.24765	2.4
373.25629	1.5
375.26816	4.0
403.29987	4.1
427.30249	1.7
467.33511	1.6
491.35089	2.4
509.34256	2.4
547.39203	4.5
565.40417	17.7
583.41510	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	1.1
51.02382	1.4
53.03938	4.3
55.01871	1.4
55.05513	14.5
57.07077	10.5
59.04989	3.3
65.03947	5.1
67.05507	24.4
69.03432	7.4
69.07072	15.6
71.17507	1.8
77.03913	1.7
77.73726	1.3
79.05493	24.2
81.03445	1.2
81.07060	33.6
83.02972	1.0
83.04984	5.6
83.08625	9.8
85.06544	5.6
91.05483	41.6
93.07045	49.1
95.04967	8.8
95.08604	34.3
97.06541	4.9
103.05463	3.9
105.04550	1.8
105.07032	76.5
106.07889	1.3
107.08601	41.8
107.09301	2.5
109.06509	8.8
109.10159	19.8
111.08093	2.4
115.05466	4.8
116.06248	2.1
117.07018	17.6
119.08586	75.3
121.06503	4.7
121.10145	44.2
122.07336	1.2
123.08066	14.9
123.11708	4.9
125.05988	2.7
125.09634	2.2
128.06235	11.7
129.07008	19.8
130.07803	7.2
131.08569	31.7
132.09375	1.4
133.06511	3.3
133.10135	37.9
135.08046	9.5
135.11684	12.7
137.06017	1.2
137.09624	13.8
139.11172	1.6
141.07010	10.1
142.07779	21.6
143.08559	40.9
143.76262	1.3
144.09370	7.7
145.06467	1.7
145.10132	48.5
147.08047	17.4
147.11694	14.1
149.09616	6.2
149.13263	2.1
151.07553	12.7
151.11203	1.7
153.06989	6.5
153.09143	1.6
154.07820	3.7
155.08548	17.9
156.09344	19.8
157.10127	50.5
158.10922	7.9
159.08066	5.1
159.11694	25.0
161.09561	5.7
161.13234	9.1
163.11180	7.3
163.14771	1.2
165.07047	8.9
165.09119	33.4
166.07796	4.8
167.08554	11.7
167.10666	10.1
168.09338	8.2
169.10138	24.4
170.10925	7.7
171.08130	1.4
171.11696	25.8
172.12419	2.4
173.09625	3.8
173.13284	22.0
175.11217	5.0
175.14848	8.1
176.06393	1.2
178.07814	1.3
179.08551	17.1
179.10783	1.6
180.09331	5.5
181.10167	18.8
181.12241	4.6
182.10916	8.4
183.11697	26.4
183.13229	2.1
184.12462	6.4
185.09668	2.0
185.13254	16.2
186.10442	1.3
187.11186	3.2
187.14796	7.5
189.12692	5.6
191.08589	1.6
191.14346	9.1
192.09372	6.4
193.10156	17.2
194.10910	10.3
195.11699	21.3
195.13440	2.1
196.12517	6.0
197.13252	20.7
199.11275	1.9
199.14806	13.8
201.12730	2.1
201.16411	2.3
203.08598	2.7
203.14317	12.0
205.10210	4.5
206.10927	8.5
207.11736	17.3
207.13857	7.0
208.12474	7.6
209.13283	27.3
209.15340	2.6
210.14098	3.2
211.11266	1.7
211.14827	11.4
212.15599	1.9
213.12802	2.2
213.16420	4.4
215.14359	1.8
216.09352	1.4
217.10162	4.5
217.15898	8.1
218.10945	3.2
219.11731	8.4
219.17537	1.7
220.12523	7.8
221.13281	16.1
221.15436	55.9
222.14101	4.6
223.11272	2.5
223.14803	14.4
224.15639	3.5
225.12860	1.4
225.16380	6.0
227.14452	2.5
229.10150	2.3
230.10934	2.3
231.11743	6.5
231.13782	1.6
231.17413	2.6
232.12524	4.4
233.13271	9.0
233.15445	3.8
234.14142	4.9
235.14847	11.7
236.15581	2.8
237.16309	7.5
238.13669	1.1
238.17001	1.3
239.14449	1.7
239.17961	3.0
243.11761	2.5
244.12514	2.7
245.13260	6.7
246.14037	5.7
247.14763	7.4
248.15613	3.2
249.16405	8.3
250.17264	2.3
251.17955	3.5
253.19568	2.8
255.17578	2.6
257.13239	2.2
257.19022	6.6
258.14188	3.2
259.14743	6.3
260.15680	4.4
261.16415	8.7
262.17273	2.0
263.14273	1.2
263.17990	7.0
265.19525	8.6
269.13306	2.2
269.19070	2.5
271.14972	3.8
271.20645	2.0
273.16455	4.4
274.17120	2.5
275.17880	8.7
276.18912	1.6
277.19571	3.9
279.21097	2.0
281.18979	2.9
283.20547	14.4
285.16275	2.1
287.17749	3.2
287.20477	2.5
289.19553	4.3
290.20334	1.9
291.21072	2.4
293.18881	1.4
295.20673	4.5
297.16360	1.6
297.22156	3.1
299.20590	1.8
300.21039	1.6
301.19278	2.6
303.21146	1.9
307.20493	2.6
315.21201	2.7
316.21881	1.5
327.21255	1.4
329.23029	1.4
331.24191	5.6
335.23798	1.7
347.23688	2.5
349.25259	9.4
352.24203	1.3
355.24576	1.3
357.26056	2.5
361.25641	1.9
365.24985	3.3
375.26987	5.3
403.30020	4.5
491.35205	4.9
503.35132	3.9
509.34528	2.0
547.39301	3.8
565.40472	20.4
583.41498	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	8.1
55.01847	2.8
55.05517	24.5
57.03412	9.5
59.04993	2.7
65.03921	3.9
67.05508	82.4
69.03429	22.3
69.07038	11.5
70.71382	2.8
71.04957	10.0
71.53539	3.3
79.05492	29.0
81.03420	91.6
81.06660	2.5
81.07051	27.3
83.05000	16.0
83.08626	22.3
85.02913	16.0
85.06531	3.8
91.05486	30.4
93.07043	19.8
95.04962	17.0
95.08617	12.8
97.02881	12.9
97.06529	5.0
97.10188	13.2
99.04422	4.6
105.07035	22.5
107.04895	11.0
107.08612	13.7
109.02873	16.0
109.06489	7.4
109.09476	4.0
109.10160	65.0
111.04422	14.2
111.08068	13.1
117.07030	5.7
117.26036	2.3
119.08594	17.8
121.06466	5.7
121.10094	8.4
123.04422	6.0
123.07993	5.0
125.05939	2.4
125.09584	11.3
127.03895	11.0
129.07068	5.0
131.08514	9.4
131.52661	2.7
133.06432	3.6
133.10100	9.3
135.01019	2.7
135.08090	3.6
135.11679	3.7
137.05942	4.8
137.09590	4.1
145.10115	5.1
147.08005	5.2
147.11647	11.9
148.33369	2.4
149.05917	2.6
149.09587	5.5
155.10582	2.9
156.21358	2.4
157.10075	10.0
159.11623	3.2
163.11140	5.3
167.59853	2.7
171.08073	2.8
173.09464	3.0
173.11780	17.6
175.11160	6.2
181.12029	3.0
189.11162	5.9
193.10970	2.2
193.12267	26.0
211.11403	2.7
211.13304	39.4
227.12726	7.0
229.14363	18.6
235.13216	3.3
267.15979	13.9
269.08011	3.5
277.14224	3.5
299.14749	9.2
301.14276	6.2
301.29962	2.5
309.16977	3.7
319.15295	3.0
333.17184	2.9
355.17349	10.2
373.18430	4.7
393.18906	3.4
411.19870	3.5
421.25513	9.8
439.27051	17.5
505.27805	8.8
529.27521	4.9
535.28400	3.9
547.28613	4.8
553.79205	2.4
565.29706	18.4
583.16760	3.9
583.30988	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.2
53.03947	2.9
55.05519	9.1
57.07080	9.1
59.04998	2.6
62.10220	0.9
65.03932	3.2
67.05505	17.8
69.03423	6.6
69.07070	10.8
69.16637	9.3
69.17052	2.4
71.05034	1.0
71.51596	1.0
77.03957	1.6
79.05500	18.0
81.03413	1.6
81.07063	20.2
81.07521	1.5
83.04971	5.1
83.08636	6.5
85.06549	3.2
91.05483	27.8
93.07045	36.6
95.04952	6.6
95.08051	2.1
95.08617	26.7
95.09238	1.3
97.06556	4.0
103.05459	2.6
105.04530	2.0
105.07038	46.8
107.07878	1.5
107.08601	28.8
109.06558	5.5
109.10162	14.8
111.08084	2.0
111.11713	1.1
115.05452	2.4
117.07024	12.9
119.08590	49.9
121.06533	3.8
121.10150	32.0
123.08066	14.4
123.11741	3.7
125.06036	2.3
125.09601	1.8
128.06250	10.1
129.07004	11.3
130.07831	5.1
131.08574	22.3
133.06535	2.0
133.10136	28.4
135.08073	10.0
135.11697	8.7
137.09612	9.5
139.11234	1.5
139.44710	1.2
141.07022	5.1
142.07780	14.2
143.08575	26.2
144.09372	4.7
145.10129	30.9
147.08067	14.3
147.11690	9.3
149.09631	5.9
149.13264	2.1
151.07558	17.0
153.06985	2.4
154.07793	2.1
155.08566	10.2
156.09358	11.0
157.10132	35.4
158.10930	4.5
159.08029	3.0
159.11685	15.9
161.09676	5.4
161.13315	5.1
163.11227	4.1
165.07007	4.7
165.09123	27.3
166.07837	2.5
167.08543	5.9
167.10657	6.2
168.09334	5.4
169.10136	16.6
170.10883	6.8
171.11688	21.1
172.09059	1.1
172.12491	1.3
173.09637	2.5
173.13281	15.1
175.11201	2.9
175.14848	6.2
177.12781	1.3
179.08551	10.4
180.09396	4.2
181.10149	10.3
181.12292	3.6
182.10881	5.7
183.11697	21.2
184.12492	3.4
185.09714	1.9
185.13237	13.0
187.11255	2.3
187.14871	4.1
189.12729	5.4
191.10724	1.2
191.14374	6.0
192.09317	2.1
193.10165	12.9
194.10907	7.3
195.11717	17.5
196.12457	5.1
197.13258	15.6
198.14085	1.2
199.11208	3.0
199.14801	9.3
199.66228	1.3
201.12811	1.5
201.16463	2.0
203.08643	1.5
203.14314	12.2
205.10205	3.0
206.10876	5.2
207.11763	12.1
207.13869	5.5
208.12572	4.9
209.13284	15.5
209.15170	2.1
210.14082	2.5
211.14758	8.5
213.12878	1.3
213.16441	2.8
215.14265	1.5
217.10213	2.6
217.12154	1.2
217.15909	5.2
218.11006	2.4
219.11790	3.5
220.12573	3.9
221.13307	10.1
221.15324	48.7
222.14096	2.7
223.11427	1.1
223.14839	10.8
224.15564	2.2
225.12717	1.4
225.16486	4.6
227.14377	2.6
229.10104	1.4
229.15822	1.5
231.11710	5.3
231.17479	2.7
232.12607	2.9
233.13310	7.3
233.15411	2.6
234.14088	2.3
235.14896	8.5
236.15616	1.9
237.16315	5.2
239.17929	2.3
241.19667	1.1
243.11821	2.0
243.17551	1.7
245.13388	4.6
246.14030	3.1
247.14920	6.8
247.17097	1.9
248.15578	1.3
249.16422	6.8
250.17221	1.3
251.17973	3.3
253.19630	1.7
257.13187	2.3
257.19086	4.1
259.14856	3.1
260.15674	2.1
261.16455	6.7
263.17960	4.5
265.19595	4.6
269.19046	3.4
271.14923	1.8
271.20688	2.7
273.16440	4.6
275.17856	6.1
277.19614	2.7
279.17633	1.2
279.21088	2.3
281.19000	2.6
283.20609	7.8
284.15698	1.8
285.16342	2.7
287.17804	2.2
289.19586	2.4
291.21304	1.7
295.20761	4.2
297.22174	4.1
300.20996	1.4
301.19476	2.3
307.20554	1.9
309.22076	1.8
315.21075	1.4
319.20413	1.4
331.24350	3.1
333.22281	2.2
343.24304	1.5
347.23959	1.7
349.25363	6.5
352.24152	1.1
357.25632	2.1
361.25204	1.8
365.25049	2.1
375.26764	5.7
403.30219	5.6
416.36798	1.4
491.35178	3.3
503.35434	3.6
509.34366	2.1
547.39185	3.6
565.40393	26.0
583.41547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	17.3
57.03432	8.3
57.07091	6.5
62.14723	4.3
67.05182	6.1
67.05515	70.3
69.07058	12.8
69.32610	9.8
69.33018	29.0
71.04993	16.1
76.28344	3.7
79.05482	31.9
81.03384	4.2
81.07051	42.2
83.08618	9.7
85.60833	4.0
91.05490	30.3
93.07053	48.0
95.04963	15.1
95.08617	25.7
95.40864	4.0
98.20734	9.0
105.07037	22.0
107.08603	18.2
109.06530	5.3
109.10162	49.2
117.07034	12.4
118.06641	3.9
118.07868	3.4
119.04835	3.4
119.08588	32.3
121.10127	21.5
123.08140	6.9
129.06979	4.6
131.08582	11.2
133.10135	10.7
135.11699	12.9
137.09592	9.1
138.14322	4.0
143.08569	8.3
145.10098	22.4
147.11674	10.6
155.08604	5.1
157.10086	4.8
159.11700	7.3
166.33858	4.4
167.10669	6.7
169.10120	5.3
171.11665	8.0
173.13240	5.8
179.08356	5.2
183.11665	8.1
195.11714	5.8
197.13211	7.3
201.84540	4.6
211.13220	6.4
261.22226	5.1
285.16919	5.4
287.18503	13.4
311.20059	5.2
335.25833	32.5
337.27271	12.4
352.24152	20.4
413.64603	4.5
444.30246	9.3
486.24347	4.5
489.35828	100.0
503.37027	4.9
515.36920	5.1
547.39844	50.1
582.27997	10.7
582.40918	39.8
585.79889	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	583.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	10.8
54.45515	2.1
55.01887	7.7
55.05517	26.2
57.03437	13.0
59.04997	4.8
59.69312	2.4
65.03937	5.0
67.05511	99.3
69.03439	19.8
69.07082	6.0
71.01347	2.7
71.05003	10.0
71.53381	2.9
71.53773	2.8
79.05494	32.7
81.03423	98.6
81.07059	34.3
83.04998	21.7
83.08621	17.1
85.02915	28.0
85.06544	3.2
91.05495	29.6
93.07044	24.1
95.04983	30.7
95.08617	15.6
97.02914	18.6
97.06560	7.0
97.10199	11.5
99.04495	3.0
100.75076	2.5
103.05460	2.5
105.07028	20.6
107.04975	15.7
107.08599	13.7
109.02892	18.7
109.06528	6.9
109.10165	69.2
111.04446	14.7
111.08106	8.6
113.35355	2.3
114.63916	2.5
117.07019	4.5
119.04945	3.1
119.08591	19.1
121.06544	5.9
121.10183	8.9
123.04465	6.9
123.08142	3.7
123.11790	4.2
125.09661	10.0
127.03911	14.0
129.07068	8.1
131.04962	2.6
131.08603	9.8
133.06552	7.5
133.10201	8.3
135.04451	2.4
135.08089	2.9
135.11766	3.0
136.58469	2.8
137.06023	9.7
137.09669	7.9
142.07813	4.0
143.08662	3.6
145.10172	3.5
147.04445	5.3
147.08092	4.9
147.11668	13.6
149.09612	3.0
155.10661	5.8
157.10170	12.3
161.05962	3.8
163.11270	3.1
167.07130	7.5
173.11754	17.3
175.11293	9.6
189.11359	7.6
193.12227	23.6
199.11121	2.7
211.13284	35.3
219.13947	3.0
227.12953	11.4
229.14346	21.2
235.13289	5.1
259.13342	2.6
267.13519	3.3
267.15933	15.6
277.14258	3.8
278.34210	2.3
283.06180	4.3
285.07742	4.3
285.17197	5.0
299.14978	6.0
301.14575	7.4
309.17120	5.5
319.15625	4.1
329.21280	3.2
331.18091	3.5
337.16809	3.7
355.17688	7.7
373.18982	3.5
375.18533	3.1
403.25085	11.3
411.20221	5.8
421.25870	26.9
439.26822	18.9
463.27063	5.4
505.28232	7.8
511.27472	3.1
529.28296	9.7
537.23315	15.3
547.29224	7.6
565.30231	18.3
583.12238	6.6
583.31348	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01861	0.9
55.05513	12.8
57.03435	0.7
57.07071	1.9
59.05000	1.1
59.06123	1.7
61.95993	0.7
65.03942	0.9
66.64257	0.7
67.05507	22.4
69.03419	0.7
69.07069	11.7
73.06549	0.7
74.05211	0.6
77.03942	0.7
79.05493	14.6
81.03410	0.8
81.07059	26.3
83.04996	2.0
83.08622	7.1
84.82771	0.8
85.06532	1.2
91.05488	16.6
93.07043	18.1
95.04967	2.1
95.08607	24.8
97.06538	2.9
97.10153	4.8
98.21567	1.3
105.07031	18.3
107.08595	12.6
109.06467	0.9
109.10159	11.5
111.08108	1.3
115.05412	1.4
115.07549	0.9
116.06232	0.8
117.07025	11.9
119.08585	17.2
121.10136	10.1
123.08067	2.4
123.11707	4.4
125.09640	2.0
128.06239	3.1
129.07008	12.9
130.07785	0.8
131.08566	18.6
133.10127	12.5
135.08026	0.8
135.11687	5.8
137.13295	1.4
139.11125	1.3
141.07016	4.2
142.07823	3.2
143.08554	15.8
144.09283	1.0
145.10118	16.4
147.11685	8.4
149.13283	3.6
153.07059	1.1
155.08578	7.4
155.10699	1.2
156.09341	1.9
157.10130	14.6
158.10840	0.9
159.11691	10.4
161.13246	3.9
163.14854	1.7
167.08617	2.6
168.09427	1.0
169.10109	9.3
171.11691	10.2
173.13234	9.0
175.14792	3.5
179.08571	1.1
181.10156	3.7
183.11684	10.9
185.13257	9.3
187.14856	4.8
189.16307	1.4
193.10175	1.4
195.11690	3.9
197.13240	7.2
197.14792	0.8
199.14809	7.9
201.16385	2.6
202.88560	0.7
207.11658	1.7
209.13264	5.1
211.14848	5.1
213.16429	4.0
215.17953	1.4
221.13373	1.4
223.14893	2.2
225.16446	3.0
227.17877	5.0
235.14917	1.9
237.16423	2.7
239.18007	2.2
241.19566	2.9
249.16379	1.0
251.20238	1.0
253.19629	1.5
255.21080	1.0
259.20703	0.7
262.86212	0.7
263.20190	1.3
265.19684	0.8
267.21332	0.9
277.21811	1.3
283.20673	1.4
285.22214	1.1
289.21826	0.8
293.19009	1.0
295.20694	1.1
297.22232	1.1
301.21671	0.9
303.23306	1.3
305.24741	0.9
309.22159	1.1
311.23700	0.9
311.65234	0.7
313.21524	1.3
315.23215	1.3
317.24835	1.8
323.23950	0.9
325.25168	0.9
329.24893	1.2
337.25348	1.6
341.24728	1.4
345.28015	2.5
351.27036	1.0
355.26279	2.2
357.28107	1.0
359.29648	1.0
365.28485	1.5
367.26224	0.8
369.27902	3.1
371.29630	1.0
383.29517	2.8
397.31073	2.5
409.30991	1.0
411.32669	1.4
425.34253	1.1
433.31076	1.0
443.32666	0.9
447.32761	1.3
461.34686	1.5
472.35495	1.0
473.36255	1.1
479.35095	1.2
493.37018	1.0
499.39224	2.9
511.38248	1.7
517.40503	9.3
531.41803	1.4
549.43011	16.1
581.45709	100.0
582.45673	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64578	3.2
55.05515	25.4
57.03434	13.4
59.35011	3.7
63.24898	3.7
63.80486	3.2
67.05177	5.9
67.05508	81.0
69.03432	5.1
69.07080	23.6
70.65339	9.9
71.04984	5.1
79.05494	59.7
81.02997	3.8
81.03431	49.5
81.07057	67.5
83.04969	14.7
83.08614	24.1
85.02902	15.2
91.05483	49.2
93.07056	54.0
95.04446	3.5
95.04960	21.9
95.08598	44.3
97.06522	7.4
98.78953	3.7
99.08070	6.0
105.07028	29.6
107.04929	7.6
107.08608	31.0
109.06537	4.8
109.10165	17.2
111.08116	8.5
117.07017	4.5
119.08596	29.0
121.10142	26.4
123.11680	6.1
129.06992	7.6
131.08533	18.2
133.10144	21.3
135.11693	14.7
144.41664	3.3
145.10080	6.7
147.11691	15.7
149.09642	10.2
149.13341	6.3
157.10124	13.4
159.11674	6.1
161.13229	5.5
173.13237	4.8
175.11176	9.2
179.14374	6.7
187.09201	3.7
193.12268	31.4
211.13283	50.2
261.22198	9.3
267.15942	11.6
269.17578	5.4
285.17004	46.4
329.92960	3.9
335.25790	100.0
527.37384	10.7
533.22369	3.8
545.38379	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	581.1504
Annotation	Kaempferol 3-apiosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
55.87622	0.1
57.03411	0.5
57.03657	0.1
61.02905	0.2
67.01853	0.1
68.99782	0.2
69.03408	0.2
70.77945	0.3
73.02923	1.0
85.02890	0.3
89.03879	0.1
91.36777	0.1
97.02863	0.4
115.03928	0.2
121.27937	0.1
127.03916	0.2
132.49475	0.1
135.04433	1.0
137.02327	0.3
147.04344	0.2
153.01843	3.6
155.28094	0.1
161.02313	0.4
167.06969	0.2
171.02890	0.3
179.03452	0.2
241.05002	0.4
245.04590	0.1
269.04431	0.2
287.05508	100.0
288.05875	0.4
373.13922	0.3
449.10834	15.2
581.14758	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	580.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01869	2.9
55.05515	15.3
57.03442	8.5
57.07087	2.7
65.03928	1.6
67.05508	41.4
67.37469	0.5
68.05833	0.5
69.03426	0.8
69.07070	18.7
70.76923	1.5
71.04992	2.3
71.08636	1.5
72.51277	0.5
73.69154	0.5
79.05494	23.0
81.03407	1.8
81.07060	43.3
82.07398	1.0
83.05011	2.7
83.08625	13.6
83.16665	0.5
85.06535	1.9
85.10187	0.7
87.63359	0.5
91.04971	0.8
91.05487	10.1
93.07049	28.6
94.07360	0.6
95.04983	4.8
95.08612	44.9
96.08916	0.8
97.02258	0.5
97.02894	2.3
97.06534	3.9
97.10178	5.1
99.04466	2.2
105.06343	0.4
105.07024	9.4
106.07361	0.8
107.04967	4.3
107.08598	19.7
109.06519	1.8
109.09464	0.9
109.10162	12.1
111.08092	2.0
111.11693	0.6
116.86912	0.5
117.07037	5.6
119.08578	9.0
121.06503	2.2
121.10149	10.9
123.08089	0.9
123.11721	4.3
125.06006	1.3
125.09613	1.2
129.43498	0.5
130.07816	0.5
130.50682	0.5
131.08577	2.1
133.10133	5.2
135.08067	1.5
135.11696	27.5
137.13258	1.6
139.07533	1.1
143.08568	0.9
145.10132	15.7
147.11690	2.6
149.13237	0.9
161.13268	1.5
163.11191	34.6
163.14812	1.2
172.12128	0.6
175.14784	0.7
177.16423	0.7
179.18126	0.5
181.12215	5.3
189.11255	0.7
203.18045	0.6
209.11829	1.0
216.58701	0.5
227.12798	44.9
228.13113	0.7
240.00021	0.5
245.22557	0.8
254.64879	0.7
261.22229	0.6
263.23746	2.0
267.16104	0.6
283.15411	36.9
285.16956	1.4
335.25854	3.0
337.27377	100.0
338.27658	1.1
364.29227	0.6
397.87042	0.5
456.35727	0.6
530.39313	3.8
545.38397	64.6
548.40405	2.5
562.40039	0.7
580.39270	0.7
581.27161	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.2
55.01864	7.3
55.05306	1.7
55.05519	18.0
57.03443	17.3
57.07078	2.0
61.02919	7.8
65.03914	2.5
67.05511	72.0
69.03429	7.3
69.07072	43.4
69.91683	2.8
69.92075	4.8
71.01327	3.1
71.04993	5.8
73.02901	2.8
78.18208	1.9
79.05501	38.4
79.63940	1.6
81.03422	9.8
81.07063	51.9
81.58263	1.8
83.04980	7.5
83.08627	11.0
85.02919	9.9
85.06547	3.8
91.03967	2.3
91.05490	39.9
93.07053	41.3
95.04974	9.5
95.08615	37.9
97.02884	7.2
97.06535	17.2
97.10158	8.3
98.20695	2.0
99.04476	3.3
103.03960	2.8
104.62211	1.8
105.07032	32.5
107.04965	8.2
107.08610	20.1
109.02905	2.5
109.06558	4.6
109.10151	29.4
111.08075	6.0
117.06993	8.1
118.92365	1.7
119.08593	31.3
121.06518	3.2
121.10128	13.4
123.08069	5.8
123.11710	5.8
125.09638	6.2
129.05466	2.4
129.07008	4.7
131.08589	14.4
133.06458	2.0
133.10136	23.2
135.08061	3.0
135.11700	12.1
137.09628	8.9
142.96265	1.6
143.08583	5.5
145.10110	12.6
147.08029	2.1
147.11726	9.6
149.09642	15.7
149.13222	3.0
151.11185	4.6
155.08531	3.2
155.10686	4.3
157.10123	6.9
159.11743	12.2
161.09677	3.3
161.13258	5.5
163.11185	9.8
167.24727	1.8
169.10178	3.2
169.12108	2.1
170.34274	1.6
171.10156	9.7
171.11673	5.9
173.11742	12.6
173.13306	4.7
175.11192	2.4
177.12856	2.3
179.14330	3.5
187.11235	3.6
187.13261	2.4
187.14896	2.5
193.12218	1.8
200.91316	2.0
215.17931	1.9
223.13312	3.6
227.12822	2.5
229.14381	30.1
229.19417	3.1
239.17924	3.6
241.14221	1.9
243.15852	13.3
247.20541	2.6
253.17870	3.2
255.15901	7.8
257.18939	9.1
267.15939	2.7
269.17572	2.7
271.15408	4.5
275.20099	33.6
285.16965	3.5
286.07846	1.8
291.02295	1.8
291.19424	3.8
293.21204	2.3
349.23758	100.0
365.23312	2.1
367.24869	8.8
373.13773	1.9
383.24246	2.8
441.64523	1.8
580.33673	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	580.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02404	0.7
53.03946	2.3
55.01871	1.8
55.05519	4.2
55.75426	0.7
56.05035	4.7
57.03440	2.1
60.04528	91.1
61.02927	1.7
65.03949	0.6
67.05508	9.0
68.99791	0.9
69.03436	12.2
69.07076	3.5
69.35252	2.0
69.35674	3.8
70.06576	0.8
71.05000	2.2
72.04524	2.9
73.02919	3.6
74.06081	3.9
79.05499	5.1
80.05016	1.1
81.03417	10.7
81.07053	9.5
82.06596	1.7
83.05003	1.3
83.08638	2.0
84.04512	2.0
85.02906	16.7
86.06082	1.4
87.00835	6.1
89.36313	0.6
90.05583	0.8
91.05473	3.6
93.07053	5.1
94.06588	1.9
95.04955	0.8
95.08610	7.8
96.08131	0.9
97.02888	5.5
99.04458	3.2
102.05552	2.3
103.03966	0.8
104.07117	2.0
105.01866	2.6
105.07047	2.8
107.08604	2.4
109.02888	10.9
109.10159	2.7
110.06044	1.0
112.07635	0.7
116.07090	1.1
117.01775	0.8
117.06940	0.8
119.08598	1.7
121.10146	3.0
122.06102	0.8
122.09628	0.8
123.11685	1.6
127.03920	12.5
129.01862	1.5
131.08577	0.8
133.06511	0.8
133.10158	1.4
135.11685	1.5
137.09691	0.8
145.05019	1.5
149.13228	0.8
153.01814	1.6
159.02919	2.6
161.13260	0.9
223.08910	0.7
231.05051	1.0
234.01767	0.8
242.05734	9.4
243.06065	9.1
248.23737	1.6
260.23837	1.7
270.05234	9.2
271.05637	9.8
278.24722	7.2
285.07578	73.6
286.07916	98.6
287.08182	1.6
291.91348	0.7
295.71548	0.7
296.25851	9.6
306.43472	0.7
310.11392	1.5
314.26883	21.0
324.59222	0.9
332.27948	64.9
333.28131	1.2
356.28134	1.1
365.23160	1.3
374.28897	2.6
447.13013	1.7
448.13156	8.8
494.32886	1.6
526.30145	1.1
528.55450	0.8
536.34265	7.3
544.30969	1.5
562.32477	4.5
580.33313	100.0
581.33575	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	580.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44914	3.3
53.03939	8.5
55.01861	12.5
55.05310	2.9
55.05516	29.6
57.03444	20.6
61.02911	6.5
61.86537	3.2
62.71300	3.1
67.05509	100.0
69.03416	12.7
69.06728	5.7
69.07076	74.4
71.04984	11.0
71.54149	3.1
71.54545	4.9
73.02905	5.4
74.47890	2.9
79.05502	46.8
81.03429	29.9
81.06587	5.0
81.07060	82.7
83.04958	13.3
83.08632	20.8
85.02913	21.1
85.06533	6.2
91.03959	5.2
91.05489	60.9
93.07051	55.6
95.04987	18.2
95.08046	6.1
95.08610	56.7
97.02914	17.9
97.06528	22.3
97.10155	7.9
99.04448	4.7
103.03951	5.2
105.07051	49.6
107.04992	16.1
107.08598	31.2
109.02901	4.0
109.06548	8.7
109.10158	40.2
111.08068	7.6
117.07047	18.4
119.08590	36.6
121.06518	5.8
121.10157	22.9
123.08067	12.3
123.11701	9.0
125.09627	8.4
127.03914	12.8
129.07025	7.2
131.08633	24.2
133.06516	3.9
133.10165	34.4
133.27759	3.3
135.08046	5.2
135.11748	18.4
137.06006	4.4
137.09612	16.5
139.11255	3.7
141.07004	5.8
143.08571	5.8
145.10164	20.3
147.08055	4.3
147.11703	18.0
149.09659	17.3
149.13263	4.1
151.11165	8.4
157.10152	8.5
159.11699	14.8
161.13303	8.3
163.11195	9.8
165.12694	3.8
169.10194	6.1
171.10168	10.4
171.11662	5.0
172.44017	3.5
173.11748	14.4
173.13258	11.8
175.11211	7.2
177.12756	7.8
179.14307	4.0
183.11783	4.2
187.11143	4.0
193.12302	5.5
195.13800	3.4
215.17889	3.3
223.13347	6.7
227.12781	4.5
229.14337	32.2
239.17908	4.2
241.14348	4.2
243.15895	8.0
255.16000	8.0
257.19046	8.4
266.86325	3.6
267.15988	7.9
271.05844	4.0
271.15509	8.3
272.06262	8.2
275.17337	4.2
275.20117	55.1
285.07651	5.4
285.16971	10.8
286.08035	4.7
291.19467	5.7
293.21100	4.6
349.23788	86.6
359.96536	3.4
367.24750	11.3
459.27496	4.2
555.67590	3.8
569.37585	4.4
580.33545	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	579.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	5.7
57.03425	1.3
57.07080	18.7
57.57571	0.7
59.04993	2.2
65.03931	1.4
66.99746	0.6
67.05508	48.1
69.07066	4.2
71.04973	1.5
71.08633	13.0
71.45112	1.3
79.05494	1.2
81.07058	14.5
83.08629	6.9
85.06551	1.2
85.10185	5.9
91.05477	2.8
93.07045	1.6
95.08612	10.7
97.10136	2.0
107.08595	1.4
109.10159	37.5
111.08092	1.9
113.00019	7.2
119.08572	2.2
123.11724	1.7
137.09581	1.3
155.10689	2.3
169.02611	7.4
173.11722	7.0
229.14412	2.3
239.23753	2.8
313.27399	1.7
407.25702	1.4
467.37344	100.0
471.49918	0.8
579.26294	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2607
Annotation	Phellophyll a
Peak:m/z	Relative Intensity
54.82672	0.4
55.05486	0.6
57.07064	1.4
67.05511	4.0
71.08614	1.2
71.17986	0.7
75.12555	0.3
81.07038	1.0
83.08580	0.4
85.10165	0.4
91.05446	0.4
91.20481	0.4
95.08607	0.9
109.10178	2.9
112.99997	0.5
118.99100	0.4
150.55740	0.4
152.72798	0.4
169.02670	0.4
173.11734	0.4
213.77945	0.3
221.10844	0.4
349.14328	0.4
363.15939	0.7
364.17477	0.5
375.66061	0.4
377.17691	1.2
378.18530	0.5
379.19440	1.8
387.80911	0.4
389.17612	1.2
390.18350	1.0
391.14865	0.6
391.19077	1.6
392.16025	0.8
392.20422	0.6
393.20807	2.8
403.19193	1.3
404.19965	1.1
405.16403	0.7
405.21378	2.3
406.17850	1.7
407.18472	1.2
407.23209	1.9
416.19894	0.5
417.20706	1.3
418.21735	0.8
419.18683	1.3
419.23019	0.7
420.15070	0.8
420.19632	0.7
421.20084	6.2
429.20877	0.7
431.18011	0.7
431.22891	0.9
432.19220	1.2
433.15732	2.1
433.23886	1.5
434.17215	1.2
435.17117	5.4
435.22467	2.3
436.22647	10.7
437.23367	0.8
445.20178	1.5
447.17172	1.0
447.22763	2.5
448.18787	2.6
449.19162	9.1
450.24146	1.7
452.21921	0.5
458.24805	0.5
459.21667	0.6
460.22470	1.6
462.20297	1.8
463.21249	8.7
464.22208	2.0
467.37418	8.3
473.23160	1.0
474.24023	1.1
475.20990	11.9
476.21838	0.9
477.23026	6.3
491.24652	3.1
492.14429	0.8
492.21552	14.8
493.21777	0.5
494.22839	1.1
501.23093	0.6
503.24655	2.3
505.25568	0.8
506.26492	0.8
507.27820	1.9
508.24802	0.8
519.23492	3.4
522.22528	0.8
523.27155	12.2
533.25232	1.7
535.27191	2.6
536.24188	0.6
547.26379	1.8
551.26556	20.0
561.24524	0.9
579.25928	100.0
580.26404	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1716
Annotation	Acacetin 7-glucosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
50.42256	0.1
53.38302	0.1
55.05488	0.1
57.03419	0.1
57.23435	0.1
57.46730	0.1
61.02919	0.1
67.01871	0.1
68.99796	0.1
69.03432	0.3
70.70735	0.2
71.04977	0.1
72.08159	0.1
73.02924	0.4
79.05453	0.1
81.03397	0.2
81.07031	0.1
85.02438	0.1
85.02908	0.7
91.05450	0.1
93.07047	0.1
95.04969	0.1
95.08599	0.1
97.02913	0.4
103.03902	0.1
103.05387	0.1
105.07008	0.1
109.02847	0.1
115.03889	0.1
116.93130	0.1
119.04916	0.1
123.04414	0.1
127.03920	0.4
133.06511	0.9
135.04396	0.2
137.05959	0.1
140.35277	0.1
145.04921	0.2
147.04384	0.5
153.01837	1.1
159.04431	0.2
167.07069	0.1
171.02890	0.1
177.05446	0.1
202.29124	0.1
217.08640	0.1
239.07101	0.1
242.05743	10.1
257.08279	0.1
270.05243	9.8
271.05997	0.7
285.07584	100.0
286.07877	0.4
417.11865	1.0
433.11188	0.1
447.12912	0.2
579.17145	0.9
579.25525	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	579.1714
Annotation	Acacetin 7-glucosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
55.05501	0.1
56.78260	0.1
67.05498	0.2
69.03413	0.2
69.97630	0.1
70.03033	0.2
70.03425	0.1
81.03403	0.1
81.07024	0.2
85.02903	0.4
91.05474	0.1
95.08582	0.1
97.02876	0.3
97.56506	0.1
117.10191	0.1
121.03955	0.1
127.03896	0.4
133.06493	0.8
135.04425	0.2
145.04762	0.1
147.04419	0.5
153.01808	0.9
158.02715	0.1
159.04411	0.1
176.03699	0.1
188.38063	0.1
242.05743	10.2
243.06302	0.1
243.25925	0.1
261.07358	0.1
269.17426	0.1
270.05234	9.9
271.06104	0.9
285.07574	100.0
286.07971	0.6
417.11853	0.2
433.11221	0.1
579.16937	0.4
579.28564	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	579.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
62.32841	0.2
65.03954	0.9
69.03432	1.0
70.08416	1.1
71.04997	0.5
80.92480	0.3
81.03426	2.5
83.05049	0.3
85.02436	0.4
85.02912	6.0
91.05473	5.4
97.02892	10.8
97.03523	0.6
98.21505	0.3
99.04459	4.8
103.03944	7.8
109.02879	3.4
113.91914	0.3
119.04946	16.3
122.57883	0.2
127.03919	54.9
145.04962	5.7
147.04410	100.0
148.04750	0.4
163.06012	0.3
165.05489	4.2
168.29999	0.3
170.55034	0.3
270.05414	0.4
271.08078	0.6
289.09396	0.3
291.08624	3.8
309.09641	2.7
315.05002	0.8
331.08026	2.9
351.10684	0.7
417.11813	0.3
453.13904	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	579.171
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
57.03431	0.5
60.61150	0.2
64.67193	0.1
67.01879	0.2
70.08186	0.3
70.08579	0.4
71.04999	3.4
78.42886	0.2
85.02911	3.6
98.21564	0.2
100.27413	0.2
111.24346	0.2
119.04948	0.9
121.02863	0.5
129.05486	1.0
145.02901	0.5
147.04376	0.2
153.01834	2.7
192.27991	0.2
196.12816	0.2
210.78142	0.2
225.05562	0.3
271.06021	100.0
272.06393	0.5
433.11331	19.1
525.56726	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	579.171
Annotation	Acacetin 7-apiosyl (1->6)-glucopyranoside
Peak:m/z	Relative Intensity
53.03952	2.4
55.01868	0.5
61.02942	0.5
63.37277	0.4
65.03938	0.7
69.03442	1.7
69.81251	1.6
71.04998	1.0
75.57714	0.4
81.03429	2.8
85.02910	7.7
91.05490	7.6
97.02899	16.3
97.99522	0.4
98.20890	0.6
99.04456	5.8
103.03950	9.4
109.02885	8.0
115.03927	0.5
119.04951	16.6
127.03925	100.0
128.04225	0.5
133.06491	0.8
145.04131	0.3
145.04968	10.0
147.04419	66.2
153.01793	1.0
163.06026	1.1
169.04958	1.2
178.59589	0.4
186.68770	0.4
187.06033	1.5
187.07533	0.6
213.05363	0.6
226.73820	0.4
231.06502	2.8
242.05760	10.4
253.07072	0.5
255.06500	1.7
257.62369	0.4
270.05237	7.6
271.05624	0.8
271.08145	1.7
273.07437	0.8
275.96582	0.4
285.07590	86.4
286.07953	0.7
291.08621	1.0
447.12564	0.5
453.13855	1.1
512.46442	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1712
Annotation	Eriosemaside C
Peak:m/z	Relative Intensity
55.01850	0.2
57.03438	0.5
61.02919	0.1
69.03408	0.4
70.78107	0.3
71.01318	0.1
73.02914	1.2
80.05786	0.1
85.02895	0.5
91.05441	0.2
97.02843	0.3
103.03900	0.1
115.03937	0.3
119.04914	0.1
127.03941	0.8
133.04938	0.2
133.06505	0.6
135.04442	0.2
137.02425	0.1
147.04405	1.1
153.01833	1.1
157.13022	0.1
159.04457	0.2
171.02872	0.1
200.61659	0.1
206.84816	0.1
213.81178	0.1
217.08534	0.1
242.05745	7.2
243.06364	0.1
257.08298	0.1
270.05240	8.2
271.06036	1.0
285.07574	100.0
286.07953	0.5
315.05099	0.3
331.08154	1.0
399.10590	0.1
417.11826	0.3
433.11194	0.2
441.14468	0.1
447.12894	16.4
448.13031	0.1
579.16669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1711
Annotation	Rhoifolin
Peak:m/z	Relative Intensity
53.03940	0.8
56.48754	0.4
65.03931	1.0
69.03431	1.7
70.02957	0.4
70.06621	0.4
70.70110	0.8
70.70480	0.9
71.04980	1.2
81.03416	1.2
83.05000	0.7
84.08139	1.2
85.02899	4.2
91.05486	8.6
92.02794	0.4
95.08609	0.5
97.02911	2.3
99.04480	2.7
99.80825	0.4
103.03934	3.1
103.63425	0.4
106.46947	0.4
109.02866	3.3
111.82551	0.3
115.28344	0.4
119.04954	23.0
121.02872	0.6
127.03925	26.0
128.06259	0.5
133.06468	0.5
135.04555	0.4
141.07013	0.9
145.05002	2.2
145.06216	0.3
147.04419	100.0
153.01839	1.4
157.06543	1.1
165.05547	0.9
165.06955	0.7
167.07089	0.5
169.05048	0.7
169.06436	0.8
183.08047	0.6
185.05952	1.5
187.06087	0.6
187.07579	1.8
203.07130	0.5
211.07622	1.0
213.05521	1.8
215.07103	0.7
227.07013	0.6
231.06535	9.1
242.05701	0.9
243.06737	0.5
255.06523	7.8
262.80109	0.4
269.08231	0.9
270.05453	0.5
270.08707	0.4
271.06024	37.1
273.07538	2.3
285.07581	6.6
291.08743	3.3
309.09662	1.3
331.08142	1.7
333.09726	0.5
399.25925	0.4
417.11713	1.1
417.32932	0.7
431.91080	0.4
433.11322	6.2
453.13669	2.0
579.86792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
53.52087	0.8
55.01860	3.4
55.05260	1.4
55.05512	12.5
57.03444	9.5
57.07060	1.3
58.52264	0.8
64.34587	0.9
65.03930	1.7
66.99743	0.7
67.05509	36.0
69.03429	1.6
69.07075	11.2
71.04971	2.0
79.05497	31.9
81.03412	2.0
81.07059	36.7
83.04975	2.6
83.08630	6.5
85.06515	1.2
91.05479	14.0
93.07047	40.8
95.04972	5.2
95.08611	44.3
97.02881	2.5
97.06531	4.6
97.10177	2.3
98.21548	1.5
99.04434	1.9
105.07037	11.8
107.04948	6.1
107.08602	26.4
109.06506	1.8
109.10166	10.0
117.07024	6.3
119.08591	11.0
121.06501	2.8
121.10149	16.8
123.11679	2.7
125.06021	1.4
131.08556	3.8
133.10159	5.7
135.08046	1.5
135.11696	30.2
139.07608	1.0
143.08511	1.4
145.09039	1.5
145.10132	21.1
147.11673	2.8
149.13208	2.1
159.11592	2.0
161.13211	2.2
163.11197	33.8
163.14932	1.4
166.92287	0.9
173.13321	1.1
181.12219	5.7
209.11732	1.5
227.12788	51.4
243.21033	1.9
261.22125	5.4
283.15402	37.6
317.24753	1.1
335.25806	100.0
501.33469	1.0
528.37469	2.5
543.36841	50.9
546.38556	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	577.192
Annotation	Formononetin 7-O-rutinoside
Peak:m/z	Relative Intensity
58.43422	0.1
68.99791	0.2
69.56562	0.1
70.35489	0.1
79.16174	0.1
81.03442	0.1
85.02956	0.1
95.10304	0.1
98.21510	0.2
110.96694	0.1
118.04144	0.1
127.03890	0.1
133.06502	0.8
137.02347	0.8
155.03433	0.1
159.04430	0.5
165.12509	0.1
186.06923	0.1
226.06250	8.6
227.06781	0.1
229.46495	0.1
241.08543	0.1
254.05756	10.1
269.08093	100.0
270.08414	0.6
271.05997	0.2
395.72000	0.1
431.13455	2.1
460.81107	0.1
577.19238	2.2
577.28082	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	578.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01859	1.9
55.05519	0.9
57.03433	1.0
57.07077	1.2
58.99580	1.7
59.04990	0.5
61.02921	0.9
63.30858	0.4
63.78728	0.5
64.88113	0.4
67.05504	2.0
69.03432	37.2
69.07069	3.1
70.06599	1.1
70.45536	1.3
71.05001	2.6
71.41578	0.5
73.02906	0.9
76.02237	3.9
79.05484	2.0
81.03414	4.6
81.07059	4.1
83.04995	2.9
83.05408	0.5
83.08635	0.7
85.02908	15.6
85.06535	1.5
86.03237	0.7
87.00829	4.6
91.05478	2.6
93.07027	2.5
95.08607	5.3
95.78609	0.5
97.02914	4.5
97.06530	2.9
98.97585	1.0
99.04443	3.0
100.02177	0.6
105.00103	0.9
105.01855	3.4
105.07027	3.0
107.04932	0.9
107.08598	9.7
109.02899	4.6
109.06526	4.3
109.10159	2.2
111.08112	2.3
111.08767	0.6
117.01856	0.9
119.08582	3.5
121.06509	1.5
121.09306	0.9
121.10146	10.8
122.02731	10.1
123.04413	0.6
123.08092	1.5
123.11710	8.9
124.12078	0.9
125.09637	12.5
125.87257	0.5
127.03923	7.1
128.07121	0.5
129.01813	0.6
129.06963	0.7
131.08578	3.8
133.10139	4.4
135.08076	8.0
135.11702	4.8
137.05957	0.6
137.09607	0.5
143.08557	0.9
145.02809	0.7
145.04973	3.3
145.10138	2.6
147.04382	1.4
147.11652	3.3
148.12006	0.5
149.09631	6.8
149.13255	1.9
151.11174	0.6
153.09117	6.1
158.10913	2.3
158.99521	0.6
159.02895	2.1
160.77489	0.4
161.09648	0.7
163.11172	1.7
163.14821	4.0
164.03700	0.5
165.12799	2.4
167.10687	1.4
173.13280	14.8
176.12010	0.7
189.12776	3.6
190.13132	1.1
191.14314	57.0
207.13809	1.3
208.14276	0.6
209.15375	100.0
211.82103	0.5
213.07652	0.6
223.11479	2.5
231.04988	2.0
241.12589	3.3
252.09537	0.4
287.05365	0.9
292.82022	0.5
312.16089	0.5
330.17435	4.9
333.16956	1.3
334.17224	1.7
351.17953	0.5
352.18359	1.1
370.08008	0.7
380.08789	0.6
406.67554	1.1
427.12463	1.1
457.20679	0.7
578.22833	3.3
578.30371	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56985	0.5
52.70816	0.5
55.01871	5.4
55.05497	2.1
56.05034	0.8
58.99591	0.6
60.63763	0.5
63.15776	0.6
67.05490	2.3
69.03426	0.9
69.07068	1.3
69.45367	3.1
70.02948	0.9
70.06588	0.7
70.99613	0.6
72.04491	1.0
73.02924	0.7
75.63937	0.5
79.05478	1.7
79.37626	0.5
80.05006	1.0
81.07052	3.0
82.06587	0.6
83.06111	3.1
84.04514	8.5
85.02895	0.8
86.00652	2.0
90.05550	5.9
91.05460	2.2
93.07037	2.2
94.06579	1.0
95.04951	0.9
95.08621	1.8
96.26155	0.5
97.01140	0.6
98.00651	0.7
98.02421	1.3
98.20704	1.0
102.05524	0.7
105.07018	1.6
107.06094	0.7
107.08619	0.7
109.06463	0.6
109.07648	2.8
111.02679	0.6
112.02181	2.0
113.00605	1.4
116.01664	0.7
117.06998	1.2
120.08069	0.6
123.08092	1.1
124.02185	1.5
124.03993	0.7
125.09641	0.7
126.00039	0.8
126.03752	2.5
127.02106	0.5
128.01631	0.9
129.06641	1.9
130.05013	2.5
130.06435	0.6
131.08563	1.6
132.08095	0.6
135.05560	1.1
135.08052	0.9
136.03920	1.4
137.00615	0.8
137.02950	0.8
138.03726	1.1
140.01646	1.0
141.00067	1.7
141.06677	0.6
149.02301	0.7
149.04271	0.7
150.03717	1.4
151.02171	0.8
152.01657	7.1
153.00035	1.9
153.06580	3.4
153.99547	2.0
154.03244	1.8
155.08214	1.7
159.07689	1.5
163.05757	0.8
164.01668	10.7
165.00072	8.4
165.02373	0.8
166.03262	3.8
168.99524	0.5
170.02699	1.5
172.11098	0.7
175.05898	0.8
176.10713	0.7
178.03239	3.0
179.01657	2.0
181.05997	4.2
182.02702	0.8
189.07269	0.9
191.05258	1.0
192.08499	0.9
194.10167	0.6
197.03790	1.1
199.07283	1.3
203.59685	0.5
206.09988	1.9
207.08022	1.2
208.07970	0.8
209.03857	2.0
209.06310	1.3
216.08481	1.7
217.06903	1.5
218.10031	1.4
218.11864	0.7
219.04732	0.7
220.07947	1.6
226.08943	1.0
234.09468	9.3
235.07895	4.8
236.11073	2.5
237.05775	0.8
238.09035	1.6
244.07916	7.6
245.06378	1.7
246.09471	0.8
251.04834	0.7
252.10539	5.3
254.12125	1.1
262.06189	0.8
262.08987	16.8
263.07394	8.0
264.10559	1.9
266.11969	1.0
270.10910	0.7
271.09137	0.8
277.09100	0.7
279.11719	2.1
280.10025	11.9
281.08490	2.2
282.11609	0.9
288.12125	0.8
289.10056	2.1
290.08493	2.5
294.11642	2.2
295.10040	1.0
298.11108	4.3
301.10196	1.3
307.11133	4.3
308.09543	1.7
312.12659	9.1
315.13574	0.6
318.11560	0.7
319.11099	3.8
322.11111	1.2
330.13663	4.5
333.23312	0.6
337.12192	7.1
346.11026	3.2
351.13718	1.0
355.13080	1.3
361.12091	2.8
364.11902	1.1
369.14801	1.9
379.13272	11.7
383.16489	1.0
397.14310	18.0
409.14206	1.7
411.15793	6.6
414.12598	0.9
415.15350	2.7
429.16934	100.0
437.13562	0.8
447.18100	1.5
455.15045	1.6
463.14874	1.0
487.17545	12.6
544.19733	2.6
558.21002	2.4
559.19476	0.9
576.22150	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	576.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80539	1.3
53.03950	2.5
55.01859	1.9
55.05510	7.2
57.03443	12.7
57.06821	2.7
57.07079	28.1
67.05503	17.2
69.07069	6.7
71.04993	3.0
71.08631	20.2
76.10901	1.6
78.04784	1.6
79.05494	7.3
81.03424	55.1
81.07063	16.6
81.78242	1.7
83.04977	3.6
83.08624	16.5
85.10194	10.6
91.05502	9.1
91.13809	1.5
92.78436	1.5
93.07041	5.9
95.04974	12.7
95.08603	14.8
97.10184	5.7
98.20743	4.2
105.07043	7.5
107.04919	2.2
107.08546	2.1
109.10148	8.0
111.08087	3.5
117.07062	2.0
119.08592	8.5
121.10144	2.8
123.11765	2.6
129.06996	4.8
131.08595	5.8
133.06487	1.7
133.10205	2.8
142.07758	2.2
147.11719	4.1
149.09610	1.7
157.10146	6.0
160.50082	1.8
165.12756	1.6
175.11238	5.9
182.44327	1.7
190.17230	1.6
193.12263	17.9
211.13271	2.3
223.99075	1.6
257.24863	2.2
267.15933	100.0
300.86429	1.6
313.27399	89.6
505.38925	71.8
576.50171	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	575.6125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01860	0.8
55.05513	39.0
55.45567	0.8
57.03424	2.6
57.07079	74.7
58.07394	1.3
62.26187	0.8
65.03950	2.2
67.05509	52.5
68.05827	2.8
69.07073	67.5
70.07399	1.3
71.05001	7.0
71.08639	66.6
71.53053	1.4
72.08963	2.3
78.46514	0.8
79.05496	12.1
81.07061	96.5
82.07398	5.2
83.04955	1.2
83.08624	59.4
85.06535	2.9
85.10188	43.4
86.10526	1.3
87.04480	2.6
91.05482	6.0
92.05782	1.6
92.99760	0.9
93.07050	7.7
94.07370	1.7
95.04984	1.5
95.08612	100.0
96.08931	2.1
97.06556	1.0
97.10177	55.7
99.11750	7.4
105.07047	3.5
106.07362	1.1
107.08591	5.1
108.08920	0.9
109.10164	62.9
110.10471	2.1
111.11726	42.9
113.13279	3.1
119.08559	1.5
121.10156	3.1
123.11717	30.5
124.12096	1.6
125.13275	18.2
127.14828	2.1
133.10107	4.1
135.11673	2.5
137.13261	14.3
139.14796	7.4
141.16402	2.8
149.13272	1.3
151.14835	10.6
153.16338	3.4
155.17949	1.3
159.11638	1.0
165.16432	11.1
167.17999	1.9
169.19585	1.0
179.18022	4.7
181.19518	1.4
193.19568	2.0
195.21126	1.1
207.21080	1.9
221.22606	2.0
235.24390	1.2
236.84502	0.9
239.23833	1.4
249.25951	1.1
263.27209	1.5
277.28760	1.3
283.09555	1.0
291.30411	2.5
301.20111	3.6
302.20514	2.4
305.31897	1.8
313.27457	2.9
314.27777	3.7
319.33740	1.9
361.38205	3.2
463.34024	1.4
481.38800	3.2
482.39307	26.8
540.43427	14.1
555.39636	1.2
557.60168	20.2
575.41766	1.9
575.49994	13.6
575.61102	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	575.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	8.8
55.01871	3.3
55.05315	1.9
55.05516	20.5
57.03448	10.0
57.07062	5.3
65.03941	3.2
65.38654	1.5
67.05509	65.1
67.48217	1.5
68.57825	1.4
69.03411	1.6
69.07085	17.8
71.04980	2.9
71.08288	2.8
71.08637	30.3
77.03945	2.1
79.05498	73.3
81.03411	8.9
81.07064	63.2
83.04994	14.3
83.08614	13.1
85.06530	5.2
87.04472	4.1
91.05489	59.6
93.07052	90.2
95.04977	17.5
95.08614	40.5
97.06525	7.8
97.10153	5.3
99.08102	18.3
105.04532	3.2
105.07044	41.9
107.04980	8.4
107.08603	35.3
109.06516	5.4
109.10152	11.7
111.08084	3.3
113.09645	2.5
117.07049	11.6
119.08586	34.2
121.06492	3.9
121.10165	23.2
123.08079	3.9
123.11734	2.3
125.09619	2.3
128.06172	2.5
129.06981	11.9
131.08588	9.4
133.10136	17.2
135.11697	23.9
137.09599	3.5
141.09088	5.2
143.08571	9.5
145.10100	9.3
147.11693	26.2
149.13264	5.5
151.11200	14.7
157.10054	4.1
159.11691	5.6
161.09595	2.8
161.13274	20.9
163.11201	7.8
163.14798	2.5
171.10690	1.5
171.11742	15.2
173.13307	4.1
175.14816	1.6
177.12839	2.3
179.14320	71.2
185.13303	2.4
189.12759	7.1
189.14600	1.8
195.13651	1.8
207.13834	17.0
217.04642	1.6
221.15405	2.9
225.14789	1.9
235.16905	2.6
237.15022	2.0
241.19510	3.4
246.07635	1.7
246.31815	1.7
259.20590	6.7
277.21661	66.5
279.15973	2.0
281.17505	77.6
295.22687	5.8
332.89838	1.7
351.25351	29.2
379.24771	1.9
459.31445	2.2
487.48312	2.4
534.00348	1.9
557.38416	100.0
575.40662	5.6
575.49445	3.2
590.45599	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	575.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31078	2.4
53.03939	9.2
55.01878	14.3
55.05271	3.4
55.05517	49.1
57.03447	13.3
57.07060	2.5
59.04990	3.1
65.03945	6.0
67.05511	100.0
69.03430	5.9
69.07075	32.5
71.05013	21.5
71.08624	2.3
71.53495	2.9
79.05502	80.5
80.05812	2.9
81.03416	16.2
81.06586	4.8
81.07065	96.1
83.04989	10.3
83.08624	26.2
85.06562	11.3
87.89992	2.3
91.05489	68.1
93.07053	81.9
95.04973	12.3
95.08615	71.4
95.09075	1.6
96.81095	2.8
97.06533	16.1
97.10178	27.4
99.08105	16.1
103.05447	2.5
105.04559	2.7
105.07046	60.6
107.04985	12.0
107.08604	52.6
109.06527	9.1
109.10175	30.0
111.04474	3.7
111.08081	8.8
115.05463	5.7
115.21160	2.2
117.07028	30.8
119.04910	2.7
119.07812	3.0
119.08599	44.2
119.28876	2.0
121.06508	7.8
121.10155	39.9
123.08083	11.7
123.11696	8.0
125.09645	19.9
128.06236	5.7
129.07022	29.4
130.07773	3.9
131.08572	44.1
133.06458	4.0
133.10141	33.2
135.08067	12.0
135.11693	15.1
137.09636	5.9
139.07542	3.0
139.11180	5.1
141.06990	5.0
142.07794	4.3
143.08572	21.3
145.06555	3.5
145.10120	44.7
147.08032	8.8
147.11694	22.0
149.09625	13.2
149.13303	7.3
151.11211	3.2
153.06984	3.5
155.08578	19.7
156.09326	2.4
157.10118	21.8
159.08070	3.1
159.11681	24.9
161.09607	5.2
161.13269	9.6
163.11212	11.5
167.08522	3.8
169.10149	17.2
169.12158	2.6
171.08057	3.2
171.10211	3.4
171.11658	19.0
173.09657	6.1
173.13286	17.4
173.25746	2.2
175.11151	5.8
175.14880	4.9
177.12799	5.2
179.14410	3.1
181.10127	5.2
181.12256	3.3
183.11737	18.2
185.13289	11.8
187.11224	5.3
187.14861	8.9
189.11223	9.8
189.12732	3.4
193.10199	3.5
193.12276	2.7
195.11752	8.3
197.13193	13.1
199.11330	4.0
199.13188	2.9
199.14854	10.8
201.16472	3.8
207.11792	2.9
207.13872	2.4
209.13266	7.8
211.14899	5.2
213.53853	2.4
215.18256	2.3
217.15939	4.2
217.35393	2.5
223.14908	6.0
227.12766	23.8
227.17871	2.9
229.14215	2.9
237.16467	5.3
259.20703	3.2
261.18491	2.4
267.15561	4.1
273.18594	5.6
275.20059	9.8
276.20499	2.6
277.21283	4.2
281.22607	2.7
285.22296	4.1
287.20264	3.9
291.19498	4.7
299.20529	3.1
299.23737	11.0
301.21756	3.1
303.23141	2.9
309.22165	2.9
313.21539	3.3
315.23203	3.6
325.21597	4.5
329.21298	2.8
330.73666	2.4
333.24286	3.9
339.23120	4.6
341.24554	3.8
357.24435	3.3
359.25934	3.3
403.24393	3.2
415.29794	4.9
421.25882	11.4
423.27426	3.0
433.31003	17.2
451.32141	19.2
463.30548	7.4
469.32852	8.4
499.34146	6.7
507.34662	7.9
517.35168	36.0
525.35809	71.4
543.36865	87.1
557.38635	29.9
575.39746	79.8
575.49213	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	575.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31078	2.4
53.03939	9.2
55.01878	14.3
55.05271	3.4
55.05517	49.1
57.03447	13.3
57.07060	2.5
59.04990	3.1
65.03945	6.0
67.05511	100.0
69.03430	5.9
69.07075	32.5
71.05013	21.5
71.08624	2.3
71.53495	2.9
79.05502	80.5
80.05812	2.9
81.03416	16.2
81.06586	4.8
81.07065	96.1
83.04989	10.3
83.08624	26.2
85.06562	11.3
87.89992	2.3
91.05489	68.1
93.07053	81.9
95.04973	12.3
95.08615	71.4
95.09075	1.6
96.81095	2.8
97.06533	16.1
97.10178	27.4
99.08105	16.1
103.05447	2.5
105.04559	2.7
105.07046	60.6
107.04985	12.0
107.08604	52.6
109.06527	9.1
109.10175	30.0
111.04474	3.7
111.08081	8.8
115.05463	5.7
115.21160	2.2
117.07028	30.8
119.04910	2.7
119.07812	3.0
119.08599	44.2
119.28876	2.0
121.06508	7.8
121.10155	39.9
123.08083	11.7
123.11696	8.0
125.09645	19.9
128.06236	5.7
129.07022	29.4
130.07773	3.9
131.08572	44.1
133.06458	4.0
133.10141	33.2
135.08067	12.0
135.11693	15.1
137.09636	5.9
139.07542	3.0
139.11180	5.1
141.06990	5.0
142.07794	4.3
143.08572	21.3
145.06555	3.5
145.10120	44.7
147.08032	8.8
147.11694	22.0
149.09625	13.2
149.13303	7.3
151.11211	3.2
153.06984	3.5
155.08578	19.7
156.09326	2.4
157.10118	21.8
159.08070	3.1
159.11681	24.9
161.09607	5.2
161.13269	9.6
163.11212	11.5
167.08522	3.8
169.10149	17.2
169.12158	2.6
171.08057	3.2
171.10211	3.4
171.11658	19.0
173.09657	6.1
173.13286	17.4
173.25746	2.2
175.11151	5.8
175.14880	4.9
177.12799	5.2
179.14410	3.1
181.10127	5.2
181.12256	3.3
183.11737	18.2
185.13289	11.8
187.11224	5.3
187.14861	8.9
189.11223	9.8
189.12732	3.4
193.10199	3.5
193.12276	2.7
195.11752	8.3
197.13193	13.1
199.11330	4.0
199.13188	2.9
199.14854	10.8
201.16472	3.8
207.11792	2.9
207.13872	2.4
209.13266	7.8
211.14899	5.2
213.53853	2.4
215.18256	2.3
217.15939	4.2
217.35393	2.5
223.14908	6.0
227.12766	23.8
227.17871	2.9
229.14215	2.9
237.16467	5.3
259.20703	3.2
261.18491	2.4
267.15561	4.1
273.18594	5.6
275.20059	9.8
276.20499	2.6
277.21283	4.2
281.22607	2.7
285.22296	4.1
287.20264	3.9
291.19498	4.7
299.20529	3.1
299.23737	11.0
301.21756	3.1
303.23141	2.9
309.22165	2.9
313.21539	3.3
315.23203	3.6
325.21597	4.5
329.21298	2.8
330.73666	2.4
333.24286	3.9
339.23120	4.6
341.24554	3.8
357.24435	3.3
359.25934	3.3
403.24393	3.2
415.29794	4.9
421.25882	11.4
423.27426	3.0
433.31003	17.2
451.32141	19.2
463.30548	7.4
469.32852	8.4
499.34146	6.7
507.34662	7.9
517.35168	36.0
525.35809	71.4
543.36865	87.1
557.38635	29.9
575.39746	79.8
575.49213	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	575.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	13.5
55.01865	10.1
55.05514	53.8
57.03447	15.1
57.07065	9.8
65.03932	6.7
67.05510	97.4
69.03423	8.0
69.07074	38.3
71.04965	15.5
71.06515	3.1
71.08627	5.0
71.53543	4.7
79.05497	75.2
81.03435	22.9
81.07064	100.0
82.07393	3.2
83.04973	13.0
83.08632	29.5
83.94989	2.8
85.02915	5.0
85.06520	7.5
86.77346	3.1
87.04470	4.0
89.53442	3.5
91.05494	72.6
93.07051	77.9
93.07641	6.2
94.07394	3.5
95.04964	21.2
95.08055	5.4
95.08616	68.9
97.02921	3.9
97.06538	12.1
97.10170	25.6
99.08076	8.8
103.05444	4.8
105.04554	3.1
105.07038	60.9
107.04963	15.5
107.08601	47.1
109.06525	11.7
109.10157	35.4
111.04486	4.1
111.08076	8.1
113.06001	5.1
115.05441	5.3
117.07040	33.4
119.08592	47.6
121.06503	9.7
121.10156	30.4
123.08076	9.9
123.11700	7.7
125.09658	16.9
128.06233	7.8
129.07030	22.3
130.07802	4.3
131.08585	47.1
131.41754	3.1
132.08942	4.2
133.06477	4.4
133.10136	28.5
135.08049	12.0
135.11684	14.2
137.05981	3.9
137.09648	6.6
137.13248	3.7
139.89775	3.1
141.06964	9.5
142.07770	9.3
143.08571	23.4
145.06494	4.0
145.10135	34.0
147.08028	9.9
147.11699	19.2
149.09610	14.8
149.13222	3.7
151.11295	6.5
155.08611	15.7
157.10117	24.8
159.11691	23.8
159.20343	3.2
161.09624	8.8
161.13245	5.8
163.11180	14.7
167.08559	8.0
169.10127	19.5
171.11693	20.9
173.09663	6.0
173.13330	18.7
175.11198	7.5
175.14716	5.3
177.12755	7.0
178.85568	3.4
181.10110	10.3
183.11789	15.0
185.09547	4.0
185.13281	15.2
187.11282	4.3
187.14836	6.0
189.11276	7.9
193.12263	10.8
195.11725	7.2
197.13239	5.6
199.14799	7.9
203.14291	3.8
207.11682	5.9
209.13377	7.0
211.13164	4.7
213.16458	4.4
215.14308	4.3
217.15823	6.7
227.12704	22.4
237.16609	3.4
257.19095	4.5
259.20587	5.3
267.15778	7.6
273.18530	12.3
275.20099	12.2
283.15344	6.5
291.19617	18.1
299.20386	3.3
299.23724	14.1
301.21573	4.1
313.21469	5.7
317.93976	3.1
339.23416	4.1
349.23495	3.6
403.24796	4.2
415.29684	4.2
421.25812	3.6
433.31058	19.7
451.32285	16.7
469.33090	6.0
499.34055	5.1
507.34583	10.5
517.35217	18.3
523.57666	3.9
525.35809	66.1
543.36798	70.6
557.37665	33.2
575.37494	42.8
575.50104	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	575.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	12.9
55.01870	11.0
55.05522	25.1
56.69036	2.3
57.03228	2.5
57.03444	26.0
57.07079	3.5
61.02930	29.3
65.03958	4.0
67.05515	67.5
69.03439	60.6
69.07085	22.8
71.01346	4.0
71.05009	13.5
73.02916	19.3
79.05502	50.4
81.03425	75.9
81.07065	100.0
83.01284	2.7
83.04988	32.7
83.08630	18.4
83.91678	2.4
85.02915	52.1
85.06561	8.1
87.04471	4.2
91.03954	16.1
91.05485	47.4
93.07053	63.1
93.07631	3.8
95.04974	21.6
95.08619	35.8
97.02283	4.6
97.02898	70.9
97.06540	11.5
97.10188	6.9
99.04463	18.4
99.08101	7.0
101.02392	11.4
101.20052	2.7
103.03951	12.9
103.05501	2.5
104.34097	2.5
105.07043	32.9
106.15249	2.4
107.04949	13.7
107.08605	31.5
109.02899	19.3
109.06526	9.2
109.10165	10.7
111.04433	14.3
111.08068	9.7
113.06008	6.7
115.03969	3.3
117.07031	20.6
119.08591	18.0
119.49429	2.7
121.06503	10.7
121.10181	14.3
123.04425	8.7
123.08035	4.6
123.11738	6.7
127.03057	4.5
127.03914	35.5
129.05504	16.6
129.07024	9.0
131.04939	3.9
131.08586	21.1
133.06471	7.5
133.10149	20.4
135.08022	5.7
135.11710	17.2
137.05991	11.1
137.09633	4.7
143.08545	4.7
145.04973	7.3
145.06409	2.8
145.10130	9.6
147.04414	3.2
147.08092	2.8
147.11716	13.2
149.09659	4.7
149.13295	32.9
151.03911	2.7
151.07664	2.6
151.11145	4.2
155.08530	4.1
157.06480	3.0
157.10120	9.3
159.08049	3.0
159.11705	26.8
161.09592	4.5
161.13245	3.1
163.11182	4.6
165.12785	6.1
167.07050	3.0
171.06653	2.7
171.11653	2.5
173.13309	3.9
175.11211	3.1
177.12723	23.0
177.97820	2.4
183.06557	16.9
193.12242	7.2
195.13805	42.1
201.07611	10.9
201.12675	3.0
210.95924	2.6
213.14803	17.9
219.13910	5.0
227.12831	4.7
229.14427	4.1
239.14218	3.8
249.14984	3.4
257.15430	3.3
261.14850	4.4
267.15927	7.6
269.17496	75.8
273.18445	5.1
275.16385	6.6
275.19858	5.0
285.17102	3.5
291.19635	4.9
293.17545	6.3
297.16949	6.3
303.16092	4.8
309.27856	2.8
311.18637	4.7
315.52237	2.7
321.16995	7.6
321.20621	2.6
323.18405	4.2
327.18008	3.5
327.67130	2.7
335.18118	2.9
339.18018	26.4
349.20026	3.1
353.19452	3.7
359.18796	3.6
365.19424	3.7
377.19632	16.8
395.20685	30.5
413.21771	71.8
446.63528	2.6
465.29678	3.8
483.31677	2.9
539.33740	5.8
557.26532	3.1
557.34717	12.7
575.27533	19.6
575.35626	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	575.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71188	2.2
53.03948	15.7
54.03499	2.1
55.01874	9.8
55.05514	26.5
57.03442	29.0
57.07072	3.5
61.02932	30.2
64.88015	2.1
67.05508	64.8
69.03079	4.2
69.03435	74.5
69.07076	31.5
71.01360	3.3
71.04997	15.6
71.54262	5.2
73.02927	17.1
74.29942	2.1
79.05492	40.2
81.03422	77.0
81.07064	100.0
82.07377	2.2
83.01337	3.7
83.04986	29.7
83.08611	18.9
85.02911	64.8
85.06553	8.7
87.00825	6.2
87.04481	4.4
91.03965	19.0
91.05483	36.8
93.07049	60.0
95.04984	15.5
95.08614	49.9
97.02284	4.9
97.02899	74.8
97.06538	14.0
97.10181	6.9
99.04459	23.1
99.08078	4.4
101.02389	12.1
103.03963	10.6
105.01876	8.5
105.07032	23.6
107.04961	8.0
107.08600	40.1
109.02889	26.1
109.06531	8.4
109.10184	18.2
111.04420	12.2
111.08088	10.5
115.03932	2.3
117.06992	13.9
119.04979	3.5
119.08584	16.7
121.06525	7.7
121.10174	21.5
123.04450	3.9
123.08084	2.5
123.11750	11.7
127.03927	47.9
127.07561	3.4
129.05501	16.1
129.07018	6.4
131.08595	15.2
133.10147	24.0
135.11685	19.4
137.06044	5.7
137.09622	2.9
137.13245	4.9
139.03880	4.9
139.11217	3.7
143.08507	4.3
145.04990	11.0
145.06476	3.6
145.10123	4.2
147.08063	4.6
147.11711	14.8
149.06007	4.2
149.09663	5.1
149.13263	37.3
157.10136	3.5
159.11696	26.6
161.06030	3.3
161.09659	2.9
161.13260	6.0
163.11110	3.3
163.14865	3.8
165.12796	5.4
171.11641	3.7
173.04445	6.0
173.13197	2.9
175.11087	4.4
177.12775	22.5
183.06551	16.9
183.11731	3.9
187.14946	2.7
189.12749	2.3
195.13811	39.4
201.07613	7.2
213.13025	2.5
213.14891	10.4
219.13878	6.0
233.15465	4.1
234.76016	2.3
249.14845	2.6
261.14859	4.5
267.16010	5.5
269.17508	69.8
273.25717	7.5
275.16547	6.2
285.14584	4.1
291.26767	7.7
297.16946	7.7
297.27887	6.1
303.15955	5.9
309.27866	15.0
311.18365	2.1
321.17004	7.5
339.18124	23.0
377.19598	10.3
395.20694	30.3
413.21741	68.1
434.20938	9.4
557.25983	4.2
557.34570	2.6
575.26416	27.6
575.34753	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	575.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	1.0
69.75816	2.9
69.76232	1.9
75.79921	0.9
91.05479	1.8
115.05448	1.4
117.06933	1.5
118.06548	16.9
119.04946	1.0
132.08075	5.2
139.03920	1.1
142.06529	1.8
143.07286	2.1
144.08076	11.4
146.06013	59.1
147.04399	5.8
150.22740	1.0
159.09181	5.9
162.23688	0.9
170.06026	3.0
177.05420	1.0
188.07066	100.0
205.09718	42.5
234.99158	1.4
282.90128	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	12.5
55.01867	10.1
55.05515	23.6
57.03442	34.3
57.07068	3.8
58.71284	2.2
61.02937	34.6
65.03938	4.2
67.05508	67.2
69.03435	75.0
69.07075	18.1
71.01365	5.8
71.05005	13.6
71.53889	2.9
73.02919	21.9
79.05499	41.2
81.03426	96.4
81.07061	100.0
83.01353	4.3
83.04989	41.6
83.08635	18.5
85.02911	66.3
85.06553	6.1
87.00856	2.8
87.04462	5.2
91.03964	21.5
91.05489	40.2
93.06472	4.3
93.07053	68.0
95.04973	21.8
95.08613	26.6
96.36453	2.3
97.02897	78.6
97.06512	12.2
97.10149	3.1
99.04462	26.6
99.08114	4.8
101.02391	11.5
103.03940	15.0
105.07044	25.6
107.04954	11.5
107.08603	33.5
109.02890	31.9
109.06548	6.7
109.10175	7.2
111.04440	17.0
111.08105	11.0
113.05951	2.4
115.03942	2.9
115.05576	2.2
117.07035	19.8
119.08591	17.1
121.06506	9.5
121.10153	18.2
123.04468	4.7
123.08087	3.8
123.11720	8.0
125.09648	3.4
127.03920	51.7
129.05476	18.3
129.07010	9.4
131.04941	4.3
131.08563	20.3
133.04991	2.3
133.06479	2.4
133.10129	26.0
135.08070	7.8
135.11722	17.3
137.06013	6.0
137.09634	4.0
143.08568	3.3
145.04988	8.0
145.06468	3.6
145.10144	4.0
147.08034	2.8
147.11693	10.7
149.05956	2.6
149.13269	39.0
151.11214	4.9
155.08517	3.8
157.06479	2.7
157.10155	4.3
159.08090	5.1
159.11679	31.3
161.13333	3.1
165.05528	2.7
165.12810	7.0
171.11777	3.0
173.04517	7.7
173.05890	2.5
173.09679	2.8
175.11195	3.4
177.05426	2.5
177.12782	26.6
179.11131	2.2
179.14392	3.9
180.46460	2.2
183.06563	20.7
191.14305	2.8
193.12320	4.6
195.13817	53.7
201.07664	7.4
207.13957	2.5
212.73059	2.2
213.12868	3.4
213.14822	22.0
219.13826	5.3
221.15353	3.2
233.15453	4.1
244.09665	4.4
249.14978	5.7
255.97186	2.3
257.15451	2.7
261.15005	5.7
267.16086	4.8
269.17508	92.1
275.16528	8.6
275.19727	2.3
285.07523	4.2
285.14667	3.8
293.13242	2.6
293.17545	3.5
297.16867	6.3
303.15979	7.6
311.18616	3.1
321.16928	8.2
335.18533	7.0
339.18021	30.2
353.19534	4.4
359.18726	3.0
365.19708	2.7
374.15799	2.5
377.19553	15.2
395.20688	36.8
413.21719	87.7
434.20728	7.6
441.20789	3.5
441.49609	2.3
539.24457	2.5
557.25903	4.9
557.34180	4.2
575.26599	37.9
575.34686	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	574.468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.05308	0.7
55.05515	8.9
57.03441	5.9
57.07080	33.6
60.39033	0.7
65.03938	1.2
67.05511	41.9
69.07072	10.2
69.86522	4.4
71.05000	18.6
71.08636	20.2
79.05495	11.3
81.07063	65.9
82.07384	0.9
83.04968	1.5
83.08625	11.1
85.06552	5.9
85.10188	12.0
85.69105	0.7
87.04472	6.1
89.06033	1.9
91.05494	13.7
93.07063	11.6
94.07387	1.3
95.04948	1.6
95.08614	21.9
96.08973	0.8
96.32417	0.7
97.06536	2.4
97.10180	6.4
99.08070	0.9
99.11739	0.9
105.07053	6.9
107.08604	5.9
107.67980	0.8
109.10164	11.2
111.08068	1.9
111.11691	1.3
117.07020	1.9
119.08565	1.3
121.10162	2.8
123.08131	0.9
123.11723	14.8
131.08571	2.6
133.10141	11.7
135.11722	2.6
137.13266	1.6
149.13257	3.3
151.11179	5.7
151.15053	0.7
159.11716	2.5
165.16373	0.8
169.12314	1.7
177.12715	1.5
183.13794	2.6
187.13329	3.5
195.13824	2.4
201.14767	1.0
222.59566	0.9
239.23698	1.6
257.17496	1.1
269.17548	4.8
283.26276	2.6
301.20090	19.8
313.27374	28.0
481.38934	100.0
495.40329	5.0
507.40204	4.4
539.43109	51.8
539.55402	1.3
574.40845	1.4
574.49194	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	574.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20131	3.0
53.03938	4.8
55.01873	12.3
55.05510	13.3
57.03434	11.6
57.06828	4.1
57.07079	46.0
60.34769	2.5
64.85175	2.5
65.03914	3.6
67.05507	55.9
69.03391	3.7
69.07071	19.9
69.35233	2.5
69.95806	14.4
71.04967	4.6
71.08635	27.5
79.05496	40.1
81.03426	16.5
81.07063	41.9
81.55446	2.8
83.04975	23.0
83.08618	16.9
85.06550	4.5
85.10181	15.6
87.04477	40.8
89.06010	3.2
91.05496	19.1
93.07053	38.9
93.50719	2.5
95.04967	14.0
95.08611	31.5
97.06518	8.5
99.04456	3.4
101.05946	2.8
105.07024	10.8
107.04969	30.4
107.08582	23.1
109.06516	4.1
109.10140	19.4
111.04454	27.4
111.08101	8.2
111.11764	3.3
117.07024	9.6
119.08551	16.2
121.06512	4.8
121.10133	37.5
123.04414	3.5
123.08088	3.2
123.11694	5.2
128.41460	2.7
129.06976	3.0
131.08568	8.1
133.10106	5.5
135.11708	28.7
145.06465	8.9
145.10144	36.0
147.08066	4.2
147.11685	3.3
149.09641	5.4
153.12737	11.7
154.30212	2.7
155.08566	7.8
163.11195	43.5
164.75937	3.2
173.09615	17.9
181.12218	19.5
191.10667	22.8
209.11858	14.6
227.12790	22.0
239.23770	4.2
257.24719	2.9
265.14362	69.1
267.15915	11.4
278.21970	2.6
283.15393	100.0
301.16479	91.0
302.16760	3.4
313.27390	91.7
521.38403	38.7
539.39392	47.6
563.70819	3.3
574.39545	8.5
574.48840	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	573.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	2.8
53.03947	14.2
55.01879	29.1
55.05515	36.3
57.03436	11.5
57.07073	8.4
65.03941	6.6
65.41326	2.7
67.05509	98.0
67.94315	2.7
69.03431	4.6
69.06744	3.5
69.07074	38.1
71.04984	5.8
71.08625	16.5
71.53431	3.3
79.05499	99.9
81.03413	14.6
81.06588	6.2
81.07059	100.0
82.81113	2.6
83.04990	20.2
83.08620	16.5
85.02893	3.4
85.06544	4.5
87.04429	4.2
88.07639	5.7
91.05489	96.3
93.06482	5.7
93.07048	99.0
95.04974	31.4
95.08609	63.3
95.91457	3.3
97.06535	33.6
97.10160	9.7
99.08072	8.6
103.05469	3.0
105.06325	3.8
105.07031	76.3
107.04969	25.3
107.08599	39.8
109.06537	13.4
109.10162	19.2
111.08093	6.3
115.05517	4.0
117.07023	29.7
119.08586	52.2
121.06509	11.9
121.10153	20.2
123.08087	10.7
123.11713	6.0
125.09615	6.7
128.06230	5.4
129.07004	23.5
131.08578	24.2
133.06422	4.2
133.10132	31.2
135.08032	8.7
135.11729	16.0
137.09630	6.4
143.08583	13.1
145.10127	27.8
147.08035	6.9
147.11687	46.2
149.09641	29.4
149.13251	6.8
150.45152	2.4
151.11259	7.5
155.08479	3.5
157.10107	6.7
159.11700	16.3
161.09557	5.3
161.13255	18.1
163.11185	15.3
165.09123	3.8
165.12717	3.2
169.10139	6.3
171.11693	35.0
171.80107	2.8
173.13246	6.8
177.12791	7.8
179.14319	4.2
183.11711	4.8
187.14787	3.6
189.12761	8.8
191.14285	3.5
195.13803	3.4
197.13329	4.1
207.13803	22.3
211.14825	3.3
227.12813	6.5
239.17943	6.6
247.20528	6.2
257.19058	17.7
275.20053	74.3
279.15964	7.3
281.14719	3.6
281.17511	52.9
293.21115	74.6
297.92804	2.6
331.22714	3.5
349.23694	34.7
377.23129	4.3
434.90421	2.9
475.30573	19.7
481.33292	4.0
537.35455	5.0
555.36768	54.7
573.37683	94.4
573.48511	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	573.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	3.0
53.03938	8.7
55.01867	25.5
55.05267	2.7
55.05514	40.5
57.03445	11.7
57.07084	19.0
59.04986	3.0
65.03937	8.0
67.05507	80.9
69.03429	4.3
69.07064	36.2
71.04990	5.4
71.08627	8.9
74.08745	2.0
77.03910	2.1
79.05495	100.0
81.03437	11.2
81.07059	78.7
83.04992	17.7
83.08608	20.4
85.06569	4.7
85.10175	4.9
91.05479	92.7
93.07045	88.2
93.07633	4.5
95.04974	18.3
95.08607	47.1
95.59172	2.3
97.06540	34.4
97.10172	16.7
98.21474	5.9
98.98463	12.7
103.05516	2.6
105.04512	4.1
105.07032	79.7
107.04959	22.8
107.08595	49.2
109.02882	4.9
109.06550	9.7
109.10161	22.1
111.08088	4.6
115.05495	3.5
116.06268	2.3
117.07013	21.8
119.08574	45.2
121.06514	6.9
121.10144	17.8
121.49068	2.0
123.08060	7.6
123.11693	5.7
125.09637	11.7
128.06197	4.1
129.06985	16.5
131.08574	23.1
133.10143	31.3
135.08075	4.1
135.11679	12.7
137.09590	3.1
141.06964	4.9
143.08598	13.9
145.06499	2.1
145.10127	32.0
147.08052	6.5
147.11678	45.7
149.09621	26.4
149.13289	4.5
151.11253	4.1
155.01042	9.8
155.08528	3.9
157.10139	6.5
159.11700	13.8
161.09633	5.6
161.13252	17.4
163.11194	12.6
165.09085	2.4
169.10112	5.0
171.11668	29.4
173.13258	8.9
175.11174	3.6
177.12718	3.4
179.14320	5.5
183.11676	4.3
185.13203	3.6
187.14842	3.2
189.11203	6.6
189.12787	12.5
197.13203	3.3
198.63480	2.1
207.11862	2.9
207.13797	24.5
213.16341	2.1
227.12776	29.4
229.19475	3.8
239.17920	4.2
247.20546	2.5
257.18997	16.5
261.22073	2.7
273.18457	2.5
275.20062	82.0
279.15845	2.6
281.17480	53.3
285.38116	2.0
291.19446	5.5
293.21222	6.2
313.21912	2.3
313.27368	58.4
331.22507	3.9
335.25735	3.2
349.23715	38.3
377.23276	8.2
451.26947	6.2
459.31064	8.4
469.49371	2.4
537.35699	3.2
555.36792	56.7
573.37634	26.1
573.48700	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	573.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	12.9
55.01877	26.7
55.05271	2.4
55.05519	39.8
57.03436	8.3
57.07080	3.4
59.04995	2.6
61.57848	1.7
65.03937	5.9
67.05511	81.4
69.03423	6.4
69.07076	28.1
71.05005	7.1
71.08607	2.2
71.53667	3.1
71.65414	1.7
73.06560	2.2
77.03919	2.4
79.05499	100.0
81.03423	10.0
81.07064	73.8
83.04988	23.1
83.08633	15.0
85.06542	4.4
91.05487	97.1
93.07050	89.0
95.04978	25.4
95.08616	54.6
96.59760	1.7
97.06540	36.2
97.10184	15.4
99.08083	2.5
103.05488	2.7
105.04520	4.1
105.07038	78.5
107.04971	28.8
107.08605	55.3
107.93864	1.8
109.06534	11.3
109.10153	16.8
111.08091	5.1
115.05450	2.8
116.84132	1.5
117.07027	26.3
119.08588	49.6
121.06511	9.4
121.10135	16.5
123.08089	10.3
123.11723	6.0
125.09657	14.5
127.07558	2.1
128.06245	4.1
129.07010	17.7
130.07790	2.9
131.08588	20.1
133.06465	2.1
133.10141	30.6
135.08061	8.6
135.11688	11.6
137.05969	2.4
137.09648	3.5
137.13248	2.4
141.07016	4.7
143.08589	14.1
145.06496	3.6
145.10120	31.9
147.08040	6.2
147.11699	49.2
149.09628	28.8
149.13274	3.6
151.11238	3.1
153.05513	1.7
155.08545	5.4
156.09367	3.0
157.10141	5.7
159.11699	13.2
161.09639	6.8
161.13260	15.3
163.11160	13.2
163.14742	1.9
164.67751	1.9
169.10182	5.6
169.12199	1.8
171.10260	3.4
171.11703	35.2
173.09575	2.6
173.11958	2.4
173.13243	9.3
175.11295	2.0
177.12743	3.7
179.14323	4.5
181.10135	2.2
183.11690	6.1
185.13275	4.9
187.11247	5.0
189.11229	5.5
189.12787	12.6
195.11717	2.6
197.10968	2.3
197.13246	3.9
205.12224	2.8
207.13806	20.7
209.13274	2.4
221.13258	2.7
224.09351	3.5
227.12790	31.5
229.19470	2.3
239.11676	2.3
239.17987	4.6
245.15500	2.5
247.14793	2.0
251.17863	1.8
253.13438	9.0
257.18964	14.4
261.16202	2.4
273.18585	4.2
275.20093	98.0
281.17496	55.7
291.19598	4.0
293.21393	3.1
317.25040	2.2
318.16153	2.3
325.21515	3.0
331.16867	2.2
331.22687	3.0
332.17627	5.7
346.19116	5.8
347.19781	2.9
349.23773	36.4
353.21078	6.7
358.15369	2.7
360.13275	3.7
375.15982	4.3
376.16479	6.9
377.23187	4.1
390.18161	13.1
391.18976	4.3
451.26877	5.5
459.30905	5.8
475.30005	2.2
529.28156	4.7
537.35663	3.7
541.34991	3.6
555.26093	12.9
555.36664	61.9
573.26489	13.3
573.37262	22.7
573.48486	6.5
573.76575	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	573.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	13.9
55.01882	24.9
55.05519	36.0
57.03433	9.1
57.07084	6.7
58.71459	2.2
67.05509	88.0
69.03428	3.7
69.07070	32.7
71.05001	3.4
71.08618	2.6
71.53455	2.6
79.05499	93.4
80.18414	2.5
81.03423	13.0
81.07063	100.0
83.04994	23.5
83.08624	19.0
85.06567	5.4
91.04908	5.2
91.05483	91.1
93.07050	82.1
95.04967	18.9
95.08617	49.9
97.06535	33.5
97.10190	7.2
99.08128	3.9
103.05438	4.0
105.04509	2.9
105.07037	69.4
107.04976	24.6
107.08611	41.3
109.06529	16.8
109.10143	18.7
111.08080	8.5
115.05456	3.4
117.07014	26.9
119.08588	51.8
121.06519	7.7
121.10145	21.0
123.08102	9.3
123.11727	7.4
125.09655	7.0
128.06247	4.9
129.06990	19.5
131.08595	22.3
133.06497	4.1
133.10139	32.2
135.08066	7.8
135.11703	13.9
137.09630	4.5
141.07007	3.0
143.08557	15.9
145.10132	27.5
147.08060	3.6
147.11690	48.4
149.09636	22.6
149.13258	7.4
151.11163	4.1
155.08511	4.7
157.10112	7.0
159.08081	3.8
159.11703	16.4
161.09653	6.6
161.13272	14.9
163.11172	13.8
165.12843	2.9
169.10141	9.9
171.11679	27.5
173.13292	9.9
177.12650	3.7
179.14310	4.0
183.11696	6.9
185.13243	3.9
187.14861	3.1
189.12764	10.7
193.10077	2.4
193.78796	2.4
197.13295	4.3
207.13823	22.7
219.17511	2.7
227.12817	15.8
229.19582	3.3
239.17986	5.4
247.20644	4.3
257.19031	13.0
267.15967	6.0
275.20074	88.1
281.17471	50.7
291.19620	3.0
293.21167	6.0
349.23694	35.7
377.23346	3.5
445.30481	2.8
459.31406	4.4
475.30588	8.7
537.35413	5.2
555.36884	56.3
573.37408	29.6
573.48560	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	573.3039
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
53.03939	1.3
55.01858	1.8
55.02551	0.5
55.05511	7.0
55.11333	0.6
57.03440	5.5
57.07078	22.9
57.31379	0.5
57.35660	0.5
59.05010	0.7
64.39658	0.5
65.03928	0.6
67.05508	14.1
69.03434	0.9
69.07069	6.8
69.24841	4.7
71.04976	1.2
71.08635	19.9
79.05498	9.5
81.03418	4.6
81.07058	14.3
83.04978	1.1
83.08628	6.5
85.02899	0.8
85.06545	1.2
85.10184	9.6
89.06013	0.5
91.05487	8.3
93.07038	7.4
95.04987	2.4
95.08611	15.2
97.06540	2.4
97.10158	4.0
97.46455	0.5
98.21456	0.9
98.98471	24.6
99.04419	0.6
99.08086	0.6
99.11800	0.7
103.07509	0.7
105.07030	5.9
107.04966	1.9
107.08579	4.8
109.02872	2.8
109.06538	0.7
109.10159	7.8
110.10481	0.9
116.99567	0.5
117.07026	2.4
119.08590	5.1
121.06554	0.7
121.10148	2.0
123.08063	0.6
123.11716	2.3
125.09608	1.2
127.03802	0.6
128.06216	0.5
129.07007	1.5
130.07768	0.6
131.08580	2.5
133.10146	3.6
135.08076	0.6
135.11662	1.3
137.09525	0.5
137.13264	0.9
140.01108	0.6
143.08582	1.7
145.10072	2.7
147.11707	5.0
149.09616	2.0
155.01045	19.8
157.10168	0.9
159.11723	1.4
161.09718	0.8
161.13269	1.6
163.11234	1.5
171.11713	1.4
173.02119	0.9
173.13257	1.2
177.05061	0.5
183.11729	0.7
189.12714	1.1
207.13844	2.7
225.01839	0.5
227.12782	1.6
239.23676	4.1
257.18967	1.6
261.03656	1.5
275.20047	6.5
281.17508	5.4
313.27377	100.0
314.27719	0.9
317.06436	3.4
335.07330	2.0
349.23770	2.0
377.23279	0.6
383.23953	1.0
383.28235	1.2
384.24704	1.9
393.23953	5.7
401.29041	2.3
451.27103	0.6
459.30862	0.6
537.28436	2.6
537.35370	0.9
555.36847	5.0
573.37799	1.8
573.48639	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	572.38
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	20.9
55.01859	12.6
55.05517	49.1
57.03436	12.6
57.07077	7.3
59.05004	3.7
62.29360	3.7
65.03929	6.7
67.05508	100.0
68.05819	4.6
69.03435	23.1
69.07057	35.9
69.35495	3.6
70.11700	8.9
71.04992	10.0
77.59858	3.4
79.05499	80.1
80.05830	8.6
81.03418	51.0
81.06588	4.8
81.07062	87.4
82.07397	5.5
83.04982	16.0
83.08612	19.7
85.02891	13.9
85.06539	14.1
85.10175	4.2
91.05489	84.7
92.05817	6.6
93.07049	95.0
95.04977	38.0
95.08606	45.5
96.05326	6.4
97.02895	15.2
97.06525	16.4
97.10181	6.2
98.98331	3.8
99.04420	6.1
99.08070	4.3
105.07042	67.1
106.07347	7.1
107.04988	19.5
107.05647	4.1
107.08591	42.5
107.12702	4.3
109.02878	12.5
109.06522	34.2
109.10162	35.9
111.04436	9.4
111.08096	9.9
113.06004	10.6
117.07005	29.6
118.37619	3.6
119.04920	5.3
119.08576	46.1
121.06485	15.2
121.10143	30.7
123.04427	4.8
123.08077	11.5
125.09644	4.3
127.03896	12.4
128.06244	6.1
129.07016	28.0
131.08569	37.9
133.06490	7.1
133.10150	38.6
135.08081	28.0
135.08971	4.1
135.11740	24.5
137.06061	4.8
137.09634	8.9
141.06940	4.1
142.07828	4.8
143.08577	20.3
145.06450	6.0
145.10124	35.5
147.08080	9.2
147.11702	19.6
149.05984	5.4
149.09631	10.3
149.13240	9.9
151.11169	5.6
155.08546	6.3
157.10124	17.1
158.84958	3.5
159.08058	9.6
159.11702	23.1
161.09605	11.5
161.13255	10.8
163.07619	5.3
163.11133	8.0
167.08543	5.0
169.10191	8.7
171.08064	4.4
171.11681	17.8
173.11865	4.4
173.13275	11.9
177.12834	7.3
179.14285	3.8
183.11696	13.4
185.13268	6.8
189.09055	6.4
195.11850	4.3
195.13795	9.0
199.14864	4.8
200.15306	4.6
201.09178	3.9
207.10287	5.4
207.13914	6.4
208.14256	3.9
219.13716	5.5
233.15477	6.0
237.15010	4.6
239.17848	4.3
261.14764	5.5
273.18478	14.8
274.18781	10.4
275.20129	17.5
281.17426	4.4
291.19553	25.8
292.19919	18.4
295.15424	4.8
301.21622	9.9
303.15924	6.3
313.27325	5.7
321.17264	4.4
339.18243	4.0
339.22980	3.9
361.32242	4.0
367.22607	10.6
383.24280	10.4
385.23691	12.6
403.24747	14.4
408.31476	3.9
421.26236	7.3
566.90997	4.7
572.36029	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	571.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65274	0.4
67.04227	0.4
69.56748	1.3
69.57161	1.5
70.06554	0.9
71.04975	0.4
71.62974	0.4
81.07014	0.6
82.06586	4.1
83.06872	0.9
85.02873	0.5
85.06473	0.5
86.09666	0.5
91.05453	0.6
91.67475	0.4
97.02842	0.5
98.21486	0.9
100.07561	1.2
127.03889	0.8
128.07083	21.9
129.07431	6.9
136.07556	0.6
147.04393	1.1
153.05397	0.4
179.91859	0.5
199.08681	0.8
205.05312	0.4
211.08603	1.4
212.09387	0.7
213.10211	1.0
217.09671	0.9
225.10286	2.6
227.08115	0.7
229.09641	1.2
239.08160	3.9
239.11842	2.5
240.08864	1.3
241.09743	4.4
243.07634	1.0
243.11301	4.1
249.75493	0.4
251.11844	0.5
252.09015	0.6
253.09737	4.7
254.10619	0.6
257.09189	1.5
257.12860	0.9
258.09982	1.0
259.10818	2.6
267.07639	1.5
267.11279	4.0
268.08466	5.3
269.09091	0.6
269.12900	0.9
271.10791	22.8
272.11539	0.5
273.12286	1.4
275.10272	1.6
277.11890	3.2
281.09213	1.4
285.08698	1.5
285.12283	4.1
287.13705	0.5
289.11783	1.8
295.10831	3.2
299.10342	1.0
299.13635	0.7
300.11093	0.8
303.13385	0.6
313.11777	6.8
317.11255	1.9
317.14688	0.6
318.12357	0.6
323.10297	6.5
327.13306	1.6
331.12857	1.3
335.12292	3.2
341.11316	13.7
345.14542	2.1
347.16281	0.5
349.13995	1.2
355.12912	4.1
359.12411	2.8
363.15588	0.7
364.46365	0.5
373.13974	18.9
377.13354	0.5
387.77054	0.5
391.15015	25.8
409.16064	100.0
410.16238	0.6
427.52710	0.5
441.82428	0.5
553.29541	0.5
571.21375	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	571.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	3.5
69.03417	2.2
71.53194	0.8
71.53560	0.7
73.02909	0.8
75.12532	0.8
81.03423	1.0
82.99874	2.7
84.96037	1.4
85.02910	5.4
91.05500	1.1
97.02891	3.2
98.97594	9.0
101.00885	16.3
109.02879	2.3
110.01303	0.7
110.97561	2.5
113.00894	3.0
115.02471	1.9
116.87476	0.6
116.98615	2.1
119.01938	22.9
119.04941	2.6
127.02453	3.3
127.03918	3.1
128.98599	2.7
129.03987	1.0
131.00194	1.3
131.01907	9.3
133.03490	4.8
134.99753	0.8
137.00856	0.8
137.02899	1.3
139.02428	1.7
143.00134	1.8
143.01909	27.6
145.03493	12.1
145.05013	1.3
146.03825	0.7
146.99648	1.1
147.01399	2.7
147.04373	9.5
149.01222	1.6
149.03003	1.6
153.03999	0.9
155.01906	16.2
155.03113	1.2
156.03662	1.0
157.03482	7.8
158.99669	2.5
159.05051	1.3
161.01468	1.4
161.02966	25.3
163.04533	1.1
167.01907	11.2
168.99872	4.6
169.03485	4.3
170.99738	1.1
171.01404	2.2
171.05052	2.2
173.01434	1.8
173.02966	24.3
175.04526	2.3
177.00746	1.5
177.02373	0.9
177.05521	0.9
179.01933	5.3
180.99823	1.0
181.03439	1.1
183.01413	0.8
183.05011	1.3
185.02972	40.1
187.00954	3.5
187.04579	4.9
188.07712	3.3
189.00798	1.3
189.02467	2.6
189.07828	3.4
191.02310	1.1
191.03972	3.3
195.01711	0.9
196.99309	2.4
197.02965	13.7
199.00859	2.5
199.04515	1.7
201.00717	2.1
201.02448	4.0
201.06110	0.9
203.02304	1.0
203.04022	13.0
204.04382	0.6
205.01967	0.8
206.08751	2.2
207.08876	1.4
208.04617	0.9
209.03035	1.6
213.02519	1.8
215.00436	7.8
215.03975	8.9
217.01955	2.2
217.05562	1.1
219.01773	4.1
219.03616	1.8
221.03171	1.4
221.05028	3.8
223.01082	0.9
227.04025	12.1
228.05644	4.3
228.55896	2.1
229.01959	3.3
231.03523	3.6
233.05240	1.0
235.06564	1.1
237.02815	2.3
237.56567	1.0
239.02074	1.0
239.04221	1.7
241.02023	2.7
245.05096	100.0
246.02939	1.3
246.05286	3.4
246.08237	8.1
247.02998	7.0
247.08452	12.3
253.01927	1.3
257.05118	7.9
259.03027	2.3
261.02798	2.5
263.06158	10.8
267.03812	1.0
269.05490	1.3
271.03070	4.1
273.08215	1.0
275.02570	3.1
275.06137	13.1
277.07584	1.1
288.09274	3.1
289.04083	12.6
289.09644	5.2
293.07166	3.1
299.02484	1.3
301.03857	3.5
303.05685	1.4
303.09259	0.8
305.07263	8.7
305.10526	1.2
307.05051	7.3
315.05487	1.2
317.07053	1.3
318.09454	1.0
318.59171	2.2
319.04764	3.7
331.05194	9.9
333.06610	1.6
335.08334	3.4
348.01956	0.8
348.11270	1.5
349.06183	13.4
349.10995	1.5
359.04636	3.4
361.06107	2.3
365.09369	19.7
373.06100	2.3
377.05402	3.5
383.10538	0.9
391.07227	7.0
391.12415	1.9
399.61880	1.3
400.06918	0.8
409.08237	3.4
409.13681	2.8
411.09952	1.7
451.08563	1.0
457.06741	1.4
469.10690	1.4
483.11658	1.6
511.11502	9.3
539.10706	3.4
553.12207	1.0
571.12695	3.8
571.21375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60077	0.9
54.49109	0.8
55.01871	2.2
55.05511	4.7
57.03442	8.1
59.09747	1.0
65.03925	1.1
67.05171	1.6
67.05505	15.5
69.03419	3.5
69.07066	9.7
69.38774	3.2
69.39210	4.4
70.06590	1.5
71.04993	2.5
73.02905	2.8
75.04476	1.6
77.43810	0.8
79.05502	11.1
79.07857	0.9
81.03412	3.2
81.07059	42.1
82.07320	0.9
83.04967	3.8
83.08617	5.3
85.02909	16.7
85.06555	2.8
87.00835	2.3
91.05481	15.9
93.07044	7.6
95.01339	2.8
95.04955	2.1
95.08061	1.2
95.08611	13.0
97.02901	3.1
97.06496	4.4
99.04465	1.1
99.08094	2.6
103.03947	1.3
105.01853	4.4
105.07037	19.7
107.04914	1.0
107.08590	8.2
109.02879	2.6
109.06519	3.5
109.10149	2.5
113.02371	2.4
113.06036	1.1
119.08588	18.3
121.10143	13.3
123.08070	3.4
123.11703	16.9
127.03897	6.6
127.07549	1.6
131.08546	1.6
133.10117	3.5
135.11656	1.9
135.69276	1.2
137.05997	1.6
137.13248	2.8
141.01889	5.1
145.05016	1.9
145.10121	1.5
147.11690	48.9
149.09653	1.8
157.10144	4.1
159.02875	2.0
165.12758	23.7
167.06995	1.4
175.11218	4.1
183.13795	2.5
193.12247	3.6
211.13397	1.3
215.05539	1.3
229.14342	5.3
231.04927	1.1
249.06151	1.6
267.15927	39.4
269.20996	1.2
285.16986	14.5
287.22092	5.7
341.19586	6.7
359.20639	100.0
425.18201	1.4
443.19281	1.5
517.22687	3.8
535.23865	33.3
570.32654	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	570.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01871	1.7
55.05509	6.3
57.03444	8.2
61.02897	1.6
67.05173	1.4
67.05506	16.3
67.45300	1.1
67.84318	1.0
69.03438	5.4
69.07070	11.9
69.65024	0.9
71.01328	1.5
71.05000	2.4
71.06731	1.6
73.02904	3.2
75.39970	0.9
79.05499	11.8
81.03421	4.1
81.07063	51.1
83.04967	4.2
83.08618	3.7
85.02911	33.6
85.03348	0.6
85.03435	1.2
85.06525	3.2
87.00837	6.2
91.05485	17.2
93.07055	7.1
95.01331	4.0
95.04978	2.0
95.08614	14.4
97.02896	6.9
97.06533	3.8
99.04471	2.0
99.08070	2.7
103.03934	1.9
105.01865	9.8
105.07035	21.6
107.08596	10.1
109.02872	4.3
109.06530	3.1
109.10147	2.6
111.08069	1.2
113.02349	2.2
119.08589	16.6
121.10152	11.5
123.08054	2.7
123.11703	16.9
127.03915	11.7
127.07539	1.3
129.07011	2.7
131.08569	1.2
133.10132	4.8
137.13206	1.8
141.01846	9.1
142.80557	1.0
145.04979	4.1
145.10147	1.2
147.11699	55.9
157.10103	2.6
159.02892	4.8
165.12770	23.6
175.11180	4.8
182.59061	1.0
183.13849	2.2
189.03943	2.0
193.12280	3.2
209.19098	1.3
229.14326	5.7
231.05003	4.0
233.06526	1.4
249.06082	3.4
251.20255	1.1
267.15936	37.8
269.21155	2.6
273.06097	1.5
285.16995	17.1
287.22150	7.0
334.23743	1.3
341.19479	8.6
359.20663	100.0
443.19016	1.9
494.10196	1.1
517.22717	5.0
535.23853	31.9
570.32837	6.1
578.69855	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.4
57.03424	0.6
68.70990	0.3
69.03419	0.6
69.17569	4.1
73.02917	1.1
84.48383	0.4
91.05482	1.3
93.07072	0.4
97.02869	0.5
105.07043	0.9
107.04952	1.3
110.47906	0.4
115.05483	1.0
117.07020	0.9
121.48931	0.4
123.04492	0.4
128.06207	1.5
129.07045	3.8
131.08574	4.9
131.49484	0.4
133.06512	1.1
133.10129	0.6
137.05881	0.6
141.07027	1.5
142.07791	0.5
143.08589	1.2
144.05737	2.4
145.06488	1.6
146.07306	0.7
147.04451	0.6
147.11662	0.4
151.11169	0.5
155.05978	0.6
157.06496	2.1
158.07315	1.1
159.08063	8.6
161.06018	0.8
161.09624	1.9
167.07047	1.2
169.07658	1.1
170.07283	1.2
171.08092	2.2
173.05988	1.5
173.09636	0.8
174.06685	0.7
175.07552	1.1
181.08742	0.5
187.07544	7.2
188.08289	0.6
189.09146	3.0
198.06720	0.4
199.07576	1.4
201.05440	0.6
201.09198	0.8
203.07057	1.1
204.07813	4.0
205.08524	0.8
206.09470	0.6
207.10123	0.6
216.07790	1.0
219.10158	2.9
221.11745	0.9
231.10228	2.2
233.11766	3.6
234.08936	0.6
249.11241	100.0
250.11409	0.6
251.12831	3.9
267.12283	6.0
377.58563	0.4
400.57224	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89252	0.4
55.05527	1.2
67.05518	2.5
69.03461	0.5
71.53432	0.8
77.30647	0.5
78.19465	0.4
79.05497	1.6
81.03419	1.3
81.07081	2.3
85.02921	0.5
86.09714	0.7
91.05487	1.0
93.07066	0.8
95.04980	1.1
95.08628	1.1
97.02882	0.7
105.07014	0.6
107.08592	0.8
109.02891	0.7
109.10152	1.0
119.08605	0.8
125.09539	0.5
127.04035	0.6
131.04924	0.7
135.04436	0.5
137.06004	0.7
181.94713	0.6
184.07364	1.9
185.04259	0.8
201.03761	0.5
203.05342	1.1
259.07925	1.6
284.06363	0.5
327.16269	0.5
331.10028	1.4
332.57181	0.6
332.61093	0.5
373.15186	0.6
407.24066	1.0
431.18762	0.7
471.22046	8.4
483.21643	0.5
569.29358	100.0
570.29608	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01676	0.5
55.01876	3.9
55.05519	2.9
55.88083	0.6
57.03439	4.9
59.04992	0.6
61.02934	5.0
63.36921	0.5
67.05497	3.5
67.09102	0.6
68.99472	0.5
68.99792	3.0
69.03429	19.7
69.07074	12.3
69.20378	2.1
69.20801	2.9
70.06597	0.6
71.01366	2.3
71.04989	2.3
73.02915	4.6
76.37143	0.6
79.05501	2.4
81.03422	15.0
81.07065	6.7
83.01341	0.9
83.04982	1.4
83.08613	1.0
84.53184	0.5
85.02908	100.0
87.00833	20.1
89.14635	0.5
91.05478	2.7
93.07050	1.8
95.01340	4.6
95.04976	2.1
95.08595	2.0
97.02898	21.0
97.06547	0.7
98.20696	0.9
99.00842	1.1
99.04458	7.3
101.02378	1.5
103.03951	3.7
103.05479	0.8
105.01872	34.9
105.07027	3.5
107.04958	1.5
107.08607	1.2
109.02884	18.6
109.10168	1.8
111.04420	1.2
111.11743	3.4
113.02377	2.4
117.01859	1.1
119.08575	2.4
120.35242	0.6
121.10158	2.4
123.00838	0.8
123.04436	2.5
123.11716	2.9
125.02348	1.4
127.03921	39.3
128.04250	0.8
129.01839	4.4
131.03377	0.8
131.04958	0.8
131.08540	0.6
133.10150	0.9
135.04492	0.6
137.05997	1.2
139.03909	0.8
141.01830	14.5
141.05504	0.6
145.04965	14.2
145.10190	0.7
147.02884	2.7
147.04419	1.2
147.11688	8.3
149.09578	0.6
151.03931	1.9
151.07562	0.9
159.02901	10.6
163.03867	0.6
163.11179	0.6
165.12740	4.1
165.13930	0.5
167.07076	2.9
168.07475	1.2
169.05008	1.6
171.02890	1.1
173.04478	0.8
174.27875	0.5
176.98903	0.5
177.03996	0.9
177.05470	0.7
179.03401	1.0
181.05016	1.4
183.13841	0.8
187.06114	1.2
189.03966	4.7
193.04826	0.7
193.12306	0.9
211.13266	0.7
213.03925	4.0
223.05960	0.6
225.03979	1.1
229.14352	6.3
231.05002	16.6
231.07181	1.3
243.05128	1.9
249.06071	9.5
261.06146	2.6
267.05093	1.9
273.06122	4.9
281.70062	0.5
285.06058	3.3
287.12842	1.7
303.07095	1.9
319.15234	0.7
337.16397	4.9
355.17490	4.4
359.20761	0.8
371.06198	1.6
373.18655	2.1
389.07382	2.7
407.08295	2.0
486.10901	0.6
542.56061	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2934
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
51.88760	0.2
67.05513	0.7
69.03421	0.3
72.80719	0.3
72.81123	0.3
77.78732	0.3
79.05462	0.3
81.03400	0.5
81.07049	1.2
83.01112	0.5
84.83866	0.3
91.05491	0.4
92.57546	0.2
93.07036	0.7
95.01149	0.4
95.08591	0.6
105.07018	0.6
107.04969	0.4
107.08593	0.5
109.02863	0.4
109.06497	0.3
119.08625	0.3
125.09663	0.3
127.03975	0.3
133.10210	0.3
135.66319	0.3
137.06009	1.2
147.11703	0.4
151.03926	0.4
153.05540	0.4
157.04802	0.3
159.12001	0.3
184.03630	0.3
185.04272	1.1
201.03694	0.6
203.05293	1.7
230.22192	0.3
253.04756	0.3
259.08017	1.4
272.73907	0.3
281.33878	0.3
283.06088	0.4
285.07568	0.5
303.23285	0.4
321.24567	0.3
325.16284	0.3
331.10052	1.0
373.14648	0.6
387.16061	0.4
407.24249	1.3
457.20590	1.4
471.22214	2.5
479.26059	1.1
483.22620	0.3
487.21555	0.4
569.29346	100.0
570.29596	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.9
55.46229	0.5
67.05508	1.8
71.53985	1.0
76.29918	0.5
79.05496	1.2
81.03426	0.8
81.07072	1.5
83.01089	0.5
91.05498	0.6
93.07040	0.7
97.02936	0.6
105.07011	0.9
107.08627	0.8
109.02853	0.6
109.10168	0.8
119.08580	0.6
123.04422	1.5
133.10130	0.7
137.06007	1.7
149.05978	0.7
151.03915	1.5
184.03502	0.7
185.04318	0.7
192.67981	0.6
195.49504	0.6
203.05327	1.6
249.60561	0.5
255.06570	0.8
259.07944	2.1
265.54919	0.7
271.05774	0.9
283.06122	0.8
283.09955	0.7
293.29016	0.6
297.07574	0.9
299.09250	0.7
300.63101	0.7
313.07248	1.3
321.16721	2.7
331.09851	0.8
371.08908	0.6
447.14728	0.6
453.20822	2.0
455.23013	0.7
457.20078	0.7
471.22021	3.6
483.22052	100.0
484.22537	1.0
530.28491	0.6
551.28265	9.7
569.17657	7.6
569.29382	21.9
598.22949	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63054	0.9
55.01847	1.5
55.05510	1.5
57.03462	1.2
61.02920	1.7
65.03925	2.9
66.70776	0.9
67.05499	1.4
69.03416	3.4
69.07056	3.2
70.06583	4.1
71.04986	2.2
71.52854	1.0
73.02924	1.1
79.05486	1.5
79.08604	1.0
81.03396	2.4
81.07030	3.4
83.04967	1.1
83.08607	1.8
85.02906	12.6
85.06490	1.1
87.04469	1.0
91.05476	2.9
92.04989	1.8
93.07037	3.7
95.01276	1.7
95.04957	1.5
95.08607	6.2
97.02885	4.2
97.10155	1.0
99.08086	2.0
107.08591	5.6
109.02855	2.2
109.10161	2.2
120.04446	4.8
121.10159	7.4
123.11708	1.4
123.26083	0.9
125.09613	1.9
127.03900	3.6
135.11691	1.6
137.06036	2.4
137.13228	1.2
138.05478	4.3
139.11247	1.5
141.01808	3.9
145.02788	1.0
145.04939	3.6
146.06023	1.2
150.05479	1.2
152.07063	1.5
161.06064	1.2
162.05519	2.0
163.06050	1.1
168.06520	1.5
174.05522	1.5
177.16371	15.3
178.04984	1.8
188.03398	1.7
192.06555	3.8
195.17488	7.0
213.18495	3.1
217.06258	1.1
223.08646	1.3
224.07036	1.6
225.10173	1.4
226.08702	1.5
227.08153	3.2
229.09669	1.4
231.19591	3.4
231.80206	1.3
237.10271	4.3
238.08569	1.8
239.11765	2.4
240.06511	1.1
241.07767	0.9
241.09834	7.3
251.08099	4.7
252.06465	1.3
253.09698	2.0
254.08156	1.6
255.07669	5.1
255.11290	1.2
256.06046	4.6
265.09729	7.8
266.08075	5.1
267.11295	3.8
268.09674	3.4
269.09189	17.0
273.08612	1.8
279.07535	7.7
280.08566	2.6
283.10693	3.3
284.09027	2.9
286.10547	1.3
287.10327	1.3
293.09201	12.5
294.07675	2.0
295.10730	4.2
296.09174	3.3
297.08713	22.7
298.09506	3.1
301.08383	1.2
302.10052	2.4
311.10303	4.2
312.08597	2.2
313.11740	3.2
314.10132	3.2
315.09750	15.5
321.08688	11.3
325.11838	1.9
329.11298	3.0
330.09695	1.5
333.10992	2.2
339.09735	13.0
340.08011	3.5
343.12851	3.9
353.11215	2.2
357.10773	21.0
358.09259	1.5
371.12277	9.2
372.11035	1.7
375.11923	2.3
389.13422	100.0
390.11691	5.8
406.17310	1.8
407.14523	13.0
551.18561	7.4
552.16870	3.1
569.20001	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12111	2.0
52.73349	2.5
53.03943	3.0
55.05511	13.7
55.65747	2.5
57.07072	10.9
58.55664	2.5
61.41067	2.7
65.03925	4.3
67.05510	19.2
69.03444	3.2
69.07065	15.1
69.81490	2.2
71.08624	6.8
75.84058	2.1
78.80004	2.3
79.05492	25.2
80.06261	5.3
80.61089	2.2
81.07051	32.4
83.04986	3.5
83.08606	5.9
85.06551	4.1
87.69868	2.4
88.07623	5.6
91.05482	42.2
92.06268	3.4
93.07037	46.2
95.04970	34.9
95.08606	28.4
98.51028	2.4
102.09196	3.6
103.05486	4.5
105.07030	77.0
106.07822	5.9
107.08588	41.0
109.06523	6.2
109.10165	21.2
110.07213	2.9
115.05454	3.3
117.07027	27.5
118.07781	3.5
119.08584	100.0
120.09351	8.1
121.06471	3.1
121.10147	33.8
123.08082	17.4
123.11680	5.1
128.06235	9.3
129.06987	16.8
130.07793	7.9
131.08575	52.3
132.09329	12.5
133.10138	50.3
134.10922	5.8
135.08046	6.1
135.11710	15.3
137.09636	5.7
138.10390	9.7
141.06992	7.8
142.07759	17.3
143.08557	42.0
144.09341	15.9
145.10123	91.7
146.10884	8.0
147.11697	22.7
149.09624	6.0
149.13199	4.6
153.06975	3.0
155.08597	17.0
156.09329	14.9
157.10138	53.5
158.10928	11.6
159.11668	35.9
160.12405	2.7
161.09610	6.3
161.13271	7.3
163.11185	3.5
163.14784	3.6
165.06956	3.6
167.08582	7.1
168.09337	7.0
169.10109	26.6
170.10924	10.4
171.11700	29.9
172.12457	6.1
173.13254	26.6
175.11188	3.8
175.14816	24.7
177.12697	6.5
179.08609	8.2
180.09319	2.9
181.10075	14.1
182.10919	5.3
183.11708	29.0
184.12431	6.1
185.13293	20.2
186.14076	5.1
187.14796	16.4
189.12802	2.7
191.14320	8.2
192.15189	3.6
193.10194	7.9
194.10901	10.5
195.11749	17.1
196.12480	10.0
197.13278	29.8
198.13989	5.5
199.14827	12.6
201.12790	4.1
201.16399	8.8
203.14407	3.4
207.11748	9.1
208.12503	3.4
209.13234	26.2
211.14865	16.6
213.16391	3.7
217.15900	8.7
219.11739	2.7
219.17619	3.1
220.12576	5.1
221.13235	6.2
223.14885	12.0
224.15570	5.2
225.16299	9.4
233.13570	3.0
235.14798	9.0
236.15556	3.1
237.16359	7.3
239.17917	6.7
241.19598	4.0
247.14948	3.4
249.16368	4.1
251.17998	5.4
253.19514	4.4
255.17381	3.7
257.18817	3.1
259.20474	3.7
263.17975	3.6
265.19589	5.4
275.17862	3.9
283.20355	4.0
283.26248	4.7
284.29459	10.6
285.22147	2.9
297.22226	3.2
311.29532	9.7
323.23672	5.3
326.14243	2.5
338.26071	58.1
362.25952	2.9
430.32275	15.4
476.36539	22.9
550.41589	3.3
568.42743	49.7
568.56427	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	568.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.0
55.05523	11.5
57.07081	11.4
65.03938	3.7
67.05520	18.1
69.07067	14.8
70.06572	3.0
71.08633	3.2
79.05507	21.9
80.06271	2.4
81.07065	33.2
83.04981	4.4
83.08632	5.3
88.07632	5.3
89.06035	3.4
91.04969	3.8
91.05492	43.1
92.06273	3.8
93.07055	48.2
95.04985	30.6
95.08619	28.1
102.09195	4.7
103.05436	3.1
105.07040	74.7
106.07806	4.8
107.08604	44.8
109.06545	5.5
109.10152	21.8
111.08112	3.0
115.05462	7.4
116.06285	2.3
117.07034	26.0
119.08594	100.0
120.09378	8.5
121.10165	30.9
123.08086	15.1
123.11713	5.7
128.06229	9.3
129.07004	17.6
130.07787	8.7
131.08572	53.6
131.09538	3.8
132.09341	8.3
133.08667	2.8
133.10147	51.0
134.10947	7.1
135.08067	6.2
135.11711	12.9
137.09622	4.8
138.10399	9.7
141.06964	6.8
142.07768	15.5
143.08571	44.0
144.09344	15.2
145.10132	92.4
146.10892	5.6
147.08066	2.5
147.11703	24.8
149.09627	5.0
149.13254	3.9
151.11166	3.8
153.07071	3.3
155.08553	17.2
156.09377	19.6
157.10155	54.3
158.10928	8.8
159.08101	2.4
159.11702	37.1
160.12430	5.3
161.09627	5.3
161.13289	9.1
163.11147	2.4
165.07042	6.1
166.07837	3.4
167.08583	8.6
168.09309	5.9
169.10143	23.2
170.10896	7.4
171.11714	33.9
172.12488	6.6
173.13271	27.6
175.11111	2.4
175.14813	20.3
177.12703	5.3
179.08565	8.0
179.78949	2.8
180.09361	5.3
181.10152	14.2
182.10910	7.1
183.11723	27.1
184.12468	6.2
185.13301	20.6
186.14053	8.6
187.14824	12.6
189.12801	2.2
189.16504	2.1
191.14270	10.8
192.09309	3.8
192.15048	5.3
193.10152	9.7
194.10905	7.3
195.11711	19.7
196.12440	6.8
197.13293	26.8
198.14029	4.7
199.14926	12.4
201.12796	3.8
201.16428	7.0
203.14323	3.0
205.10081	2.8
207.04181	2.2
207.11700	11.0
208.12439	5.4
209.13264	22.8
210.13937	3.8
211.14857	17.3
213.16454	5.3
217.15894	3.2
221.13298	7.7
222.13994	4.3
223.14807	12.4
224.15610	5.8
225.16396	8.7
226.17102	4.0
233.13254	4.9
235.14810	10.2
236.15614	2.8
237.16393	7.6
239.17978	6.0
241.11159	2.3
241.19563	4.7
249.16521	5.0
251.17970	2.9
261.16479	2.4
263.17947	3.5
265.19513	4.7
277.19553	5.8
283.20636	4.6
283.26154	3.4
284.29489	6.2
285.22055	3.7
297.22241	3.5
303.21088	2.3
305.22507	3.4
311.29398	9.8
312.32516	5.6
323.24020	5.3
329.22525	2.8
338.26028	49.7
358.83438	2.3
402.28790	2.1
430.32355	16.8
437.66568	2.7
463.26471	2.5
476.36395	29.4
497.60306	2.2
568.42786	46.3
568.56354	28.8
587.62280	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	568.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.3
54.15495	1.8
55.05513	12.6
57.07056	8.8
61.04127	1.9
65.03914	2.7
67.05508	21.0
69.03423	3.7
69.07056	11.5
71.08621	3.7
71.45902	2.6
75.33056	2.0
79.05492	23.0
80.06279	2.6
81.07062	33.0
83.05003	3.6
83.08618	7.0
85.06545	2.8
88.07620	3.5
91.05487	34.8
92.06250	2.8
93.07048	45.4
94.07840	3.0
95.04971	39.3
95.08614	27.5
97.06542	2.6
100.56389	2.1
101.80444	1.9
103.05489	2.9
105.07033	73.5
106.07784	5.3
107.08604	38.1
109.06535	4.3
109.10156	19.5
115.05457	6.0
116.95293	1.8
117.07034	27.6
119.08584	100.0
120.09359	6.6
121.06534	2.2
121.10143	28.8
123.08105	11.5
123.11692	6.5
128.06216	11.3
129.07002	16.6
130.07773	9.0
131.08575	48.6
132.09337	9.8
133.10133	50.6
134.10898	7.3
135.08038	5.4
135.11697	15.7
137.09602	7.1
138.10400	8.1
141.06985	8.3
142.07782	18.2
143.08569	48.5
144.09349	15.6
144.23067	2.0
145.10127	86.5
146.10928	4.0
147.08049	4.8
147.11694	23.7
149.09613	6.4
149.13240	4.3
151.11211	4.1
153.06844	3.2
154.07721	3.8
155.08545	11.5
156.09328	15.8
157.10135	45.2
158.10927	9.9
159.11702	35.8
160.12466	4.0
161.09593	6.0
161.13245	9.1
165.07021	3.0
167.08530	7.9
168.09366	5.6
169.10127	28.3
170.10902	8.7
171.11687	35.2
172.12453	7.9
173.13287	27.2
175.14825	21.2
177.12733	5.6
179.08562	10.3
180.09319	5.3
181.10173	14.9
181.11539	3.0
182.10883	7.8
183.11726	27.7
184.12459	4.8
185.13263	25.3
186.14034	8.6
187.14861	14.1
189.12851	3.4
191.14336	10.3
192.09412	2.3
192.15067	3.4
193.10114	8.1
194.10919	8.7
195.11707	16.1
196.12408	8.6
197.13258	27.8
198.14116	4.7
199.14787	11.3
200.15604	2.0
201.12758	3.3
201.16376	9.6
203.14400	3.1
204.15094	2.0
205.10071	2.3
206.10901	5.3
207.11668	9.6
208.12428	3.5
209.13254	26.2
210.13989	3.0
211.14844	16.4
213.16386	6.4
217.15814	4.4
219.17464	2.7
220.12407	3.3
221.13214	11.5
222.13959	3.1
223.14784	13.0
224.15462	4.6
225.16312	8.2
227.14468	3.2
227.17963	2.1
233.13383	2.5
235.14839	7.7
237.16432	11.0
239.17938	4.8
247.14763	4.5
249.16377	5.1
251.17984	2.7
253.19600	3.5
257.18906	2.5
258.19815	2.4
259.20557	3.4
261.16461	4.2
263.17880	4.1
265.19501	6.3
273.16269	2.2
277.19342	5.0
279.20959	3.3
281.19070	2.1
283.20627	2.6
283.26373	3.0
283.62469	2.0
284.29483	6.8
285.22177	3.5
297.21973	4.3
305.22574	4.9
309.22189	2.4
311.29410	7.3
323.23560	5.1
337.25189	3.0
338.26028	57.2
349.25162	4.2
351.26733	2.5
358.85440	2.1
415.29514	3.0
429.31595	3.2
430.32309	18.2
458.35159	2.2
476.36447	25.1
568.42969	44.0
568.56396	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	568.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.5
53.03946	3.1
53.19038	1.2
55.05518	11.1
57.07072	8.7
65.03933	2.2
67.05508	14.0
67.11810	1.5
69.03416	1.5
69.07079	13.6
70.78652	3.7
72.82111	1.4
79.05068	1.6
79.05499	21.8
80.06270	2.5
81.07060	29.9
83.04977	3.4
83.08619	5.8
85.06559	3.1
91.05486	43.7
92.06272	2.3
93.07047	49.3
94.07850	2.3
95.04366	2.2
95.04972	42.2
95.08613	27.4
97.06497	1.6
102.21455	1.4
103.05484	3.8
105.04503	1.7
105.07037	81.1
106.07861	1.6
107.08604	42.0
109.06536	5.5
109.10152	17.2
111.08107	1.3
111.51765	1.4
112.11312	1.1
115.05445	4.8
116.06182	1.4
117.07030	26.6
118.07804	3.8
119.08591	100.0
120.09380	8.5
121.06503	3.1
121.09322	2.0
121.10155	30.2
123.08073	14.2
123.11717	7.4
125.09639	3.8
128.06250	8.3
129.07010	15.1
130.07816	9.1
131.08572	49.2
131.09518	2.8
132.09387	11.7
133.06465	1.8
133.10143	54.1
134.10965	7.0
135.08064	7.0
135.11696	18.6
137.09653	9.0
138.10432	7.7
139.11180	2.4
141.06987	7.3
142.07802	15.0
143.08572	41.7
144.09363	16.4
145.10132	99.8
146.10890	7.3
147.11694	25.0
149.09622	4.7
149.13261	3.8
151.11195	4.4
151.14835	1.4
153.06970	1.7
154.07780	2.7
155.08565	14.9
156.09340	16.3
157.10138	52.6
158.10895	11.9
159.11697	42.2
160.12466	3.1
161.09669	5.8
161.13242	9.5
163.11194	5.1
165.07043	4.3
166.07848	2.0
167.08559	7.0
168.09363	6.7
169.10136	26.3
170.10928	8.1
171.11705	37.2
172.12468	7.6
173.13280	31.5
174.14095	2.1
175.11226	1.6
175.14841	21.4
177.12787	6.2
179.08551	9.3
180.09348	4.2
181.10124	13.8
182.10913	6.6
183.11714	26.8
184.12534	4.9
185.13263	28.2
186.14075	7.5
187.11153	1.7
187.14819	10.9
189.12804	5.2
189.16429	1.9
191.14307	10.6
192.09349	2.6
192.15057	2.5
193.10158	7.5
193.15865	1.6
194.10942	5.5
195.11719	17.3
196.12498	6.6
197.13275	33.3
198.14059	2.2
199.11185	1.9
199.14793	12.2
200.15587	2.3
201.12740	4.3
201.16415	7.0
203.14375	2.5
205.15933	2.1
206.10921	3.0
207.11716	7.7
208.12566	4.0
209.13246	27.5
210.14091	3.7
211.14839	22.2
213.16412	6.1
217.15923	5.9
219.11783	3.7
219.17332	2.8
220.12523	3.0
221.13249	7.5
222.14143	4.0
223.14771	15.0
224.15671	3.9
225.16426	7.3
226.17238	3.4
227.14246	1.8
229.15814	1.6
231.17522	2.6
233.13277	4.4
234.13983	2.0
235.14745	7.3
237.16388	8.3
239.17992	7.7
240.18690	1.4
241.16025	1.6
241.19576	5.1
246.14041	1.7
247.14952	2.2
249.16470	4.4
251.17969	3.9
253.19601	2.6
257.19095	3.2
258.19730	2.1
259.14996	2.3
259.20642	2.9
261.16458	3.0
263.18060	4.6
265.19638	5.4
267.21027	3.2
269.18878	1.4
272.21283	2.8
273.16580	1.7
275.17886	2.7
276.18671	1.5
277.19556	4.3
279.21149	2.7
281.19159	1.5
283.20554	4.1
284.21347	1.7
285.22162	4.1
289.19507	1.6
295.20386	2.1
296.21344	2.2
297.22110	3.4
303.21091	1.7
305.22580	3.5
309.22360	2.3
311.29675	2.1
313.18948	1.7
323.23810	9.1
331.24402	1.5
337.25391	4.5
338.26028	59.3
345.21634	1.6
351.26901	2.8
362.26160	1.4
415.30194	2.5
420.30252	2.5
430.32291	22.5
458.35495	2.2
462.35535	1.6
476.36514	29.5
489.37134	2.1
550.41241	1.7
568.42822	46.8
568.56500	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	568.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74462	0.8
53.03946	1.3
55.01880	1.4
55.05508	3.0
56.05037	2.3
57.03435	3.2
61.02932	9.7
67.05509	5.3
69.03427	9.3
69.07076	2.1
69.56938	5.0
70.06575	3.3
71.04995	2.1
73.02924	3.6
74.98822	0.7
79.05496	6.3
80.04996	1.4
81.03426	23.8
81.07059	9.4
82.06581	1.0
83.04974	4.3
83.08605	6.7
84.04514	4.5
84.08148	2.4
85.02899	11.6
85.06569	0.8
85.08371	0.8
86.06071	24.8
87.04469	18.2
91.03967	4.9
91.05481	5.0
92.41766	0.7
93.07040	6.3
94.06584	1.0
95.04979	6.3
95.08610	3.4
96.08131	1.3
97.02908	7.5
97.06554	3.8
97.10155	1.0
98.06060	16.8
99.04477	0.9
101.02386	1.5
102.05550	1.5
104.07111	21.3
105.07033	4.0
107.04971	2.1
107.08610	2.3
109.06488	1.0
111.04504	1.0
111.08092	3.5
112.07635	6.4
114.05493	1.1
117.07031	0.8
119.08575	3.4
121.10151	6.1
122.02722	1.4
122.14262	0.8
123.08035	0.9
124.07568	2.4
126.05518	4.1
126.09187	1.0
127.03934	2.8
129.07019	2.1
131.08554	4.6
133.06496	1.2
133.10118	2.7
138.12796	2.6
140.07083	1.4
142.08652	2.2
147.04411	1.4
147.08061	1.6
147.11694	3.7
148.07584	1.8
149.09621	16.0
149.13316	1.0
154.08624	0.8
157.10172	3.5
158.08179	3.8
159.11699	1.0
165.12729	1.1
166.12263	1.8
167.10686	1.2
175.11201	5.4
177.12744	1.6
182.15459	1.6
184.13391	1.4
193.10426	1.3
193.12239	25.8
194.15535	0.9
195.13811	1.8
206.15450	1.1
209.11823	1.2
210.14871	6.8
211.13263	3.1
212.16432	0.9
224.16438	1.5
227.12790	2.4
234.14944	1.9
244.19031	0.9
250.17987	1.5
252.15968	8.0
260.16443	3.5
267.15939	15.7
268.19183	1.9
270.17044	1.4
272.84393	0.8
278.17502	8.5
285.16980	24.4
296.18527	3.4
309.16986	3.1
314.19583	2.3
323.04803	0.8
326.19711	2.0
337.61322	0.8
344.20801	8.4
352.21176	1.0
362.21738	14.3
370.22202	9.8
388.23291	52.7
524.27045	2.0
532.27600	1.6
538.09088	0.8
550.28619	100.0
568.19342	0.8
568.30151	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	568.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
55.01865	1.5
55.05515	7.5
56.05028	1.4
57.03426	3.6
57.07074	1.7
59.05010	1.0
60.04520	1.9
61.02924	2.2
65.03919	1.0
67.05515	11.1
68.05030	1.3
69.03437	11.2
69.07076	9.1
69.43700	7.0
70.06590	4.0
71.04990	3.4
72.08155	2.7
73.02933	1.5
73.06556	3.6
73.39240	0.8
78.40906	0.8
79.05503	8.2
80.05017	0.9
81.03430	5.6
81.07059	13.8
82.06579	2.7
83.04970	3.9
83.08638	4.8
84.04502	2.7
84.08150	1.4
85.02433	1.7
85.02914	26.9
85.06552	2.0
86.06068	2.4
87.04469	1.7
91.03958	1.3
91.05481	7.1
93.05771	1.1
93.07056	20.5
94.06579	3.9
95.04951	2.6
95.08616	20.7
96.08147	10.1
97.02915	10.6
97.06516	1.9
97.10152	1.4
98.06065	2.1
98.20759	1.7
99.04444	1.5
99.08129	1.6
101.96023	0.9
103.05428	1.1
104.07108	0.9
105.07040	9.1
106.06554	1.0
107.07420	1.5
107.08607	23.8
108.08104	6.6
109.02882	3.0
109.06514	1.6
109.09024	0.9
109.10164	16.2
110.06039	2.2
110.09682	1.9
111.08104	3.4
112.07611	1.2
117.07027	2.5
119.08588	10.6
120.08101	3.1
121.06506	1.2
121.08871	1.8
121.09245	1.0
121.10157	13.4
122.09688	11.4
123.11695	7.0
124.07578	2.0
124.11239	3.1
126.09170	1.0
127.03944	5.1
131.08586	7.3
133.09161	1.1
133.10146	7.8
134.09673	6.9
135.08044	2.3
135.10460	1.7
135.11708	3.5
136.06219	1.2
136.11232	6.3
137.09612	1.3
137.13289	2.8
138.09140	2.3
139.07483	1.7
140.10739	1.0
143.08583	1.0
145.04990	3.3
145.10117	2.9
146.09689	1.2
147.11690	5.2
148.11218	5.0
149.09631	4.2
149.13264	20.3
149.14395	1.8
150.12782	9.0
151.11183	1.5
151.13652	0.8
151.14795	1.5
152.10712	4.0
153.11519	2.1
154.12337	2.4
158.10899	1.3
161.13260	3.0
162.12828	1.0
163.14857	4.0
164.14357	2.0
165.12823	1.0
166.12314	3.6
166.15910	7.2
173.13271	4.8
175.08594	1.1
178.15924	3.6
179.12929	1.1
180.17517	1.8
184.16992	4.2
190.15930	11.2
191.06670	0.9
191.14279	5.3
193.12265	1.9
196.16960	1.9
208.16989	37.8
209.11710	2.5
209.15381	1.6
210.18527	2.6
226.18042	50.4
227.12743	4.3
228.19664	1.4
234.13574	1.4
244.19106	100.0
252.16003	1.0
267.16006	1.5
285.17017	1.6
286.20053	1.1
362.21674	1.1
370.22531	1.4
372.23743	2.8
388.23309	26.5
406.24393	48.8
407.14609	1.9
529.56085	1.0
550.28369	4.8
568.30072	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	567.2778
Annotation	Ghalakinoside
Peak:m/z	Relative Intensity
52.93498	0.5
53.03934	1.2
53.59061	0.4
55.01863	0.5
55.05505	1.4
57.03439	0.9
59.05007	0.6
62.70501	0.6
67.05185	0.7
67.05508	9.5
69.03410	2.2
69.07048	1.8
71.04979	1.1
71.54258	0.5
79.05505	2.9
81.03008	0.5
81.03422	6.5
81.07061	6.1
83.04973	1.1
83.08598	2.1
85.02898	0.9
91.05499	3.2
93.07043	3.3
93.07525	0.7
95.04953	0.9
95.08579	1.5
97.02867	1.7
97.06531	0.9
97.10155	1.3
99.04445	0.9
105.07001	1.8
107.08553	2.0
109.02854	1.5
109.10167	5.6
111.04412	1.6
112.11855	0.5
117.07053	0.7
119.08529	1.1
121.10082	1.5
123.11680	0.6
125.09683	0.7
127.03876	1.2
131.08559	1.1
133.10098	1.3
149.13203	0.9
159.11623	0.9
161.13358	0.5
172.22876	0.5
173.11696	2.1
185.04219	0.9
189.11249	0.6
195.13792	1.1
203.05252	2.6
213.14783	0.6
227.12700	0.6
229.14223	1.0
259.07706	1.2
299.14813	1.0
331.09909	3.8
331.18335	0.5
339.18021	1.0
373.14655	1.6
387.21225	1.2
395.20544	0.7
405.21854	1.7
423.27136	1.2
434.21335	0.6
455.18805	1.2
469.20493	6.4
498.20166	0.6
549.26642	22.6
567.27454	100.0
568.27679	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01632	1.6
55.01873	21.3
55.05500	6.4
56.05022	5.3
57.03434	1.9
58.99577	7.9
65.44839	1.5
67.05488	4.1
67.42487	1.3
68.05016	6.0
69.03429	2.6
69.07066	2.0
70.02949	5.1
70.06577	1.8
71.04756	1.6
72.04517	11.0
73.02916	3.2
74.00661	6.7
76.02242	10.1
79.05488	3.8
80.05007	7.4
81.03419	2.7
81.05792	2.0
81.07050	2.7
82.06563	2.7
83.06093	4.4
83.08601	2.8
84.04507	37.5
85.00652	2.0
85.01136	31.2
85.02900	2.4
86.00652	19.4
86.98534	2.9
86.99054	44.4
86.99583	2.8
87.02699	1.8
88.02231	2.3
90.05560	27.5
91.05470	2.9
93.07052	2.6
95.04956	1.9
95.08616	1.7
96.04469	4.4
97.01138	7.4
97.06515	2.0
97.10168	5.8
98.00635	3.7
98.02389	3.4
98.06048	3.9
99.01397	2.4
99.05561	1.8
100.02194	6.0
102.03770	16.5
104.01686	4.3
105.07045	2.3
107.06074	1.7
107.08617	2.8
109.05268	1.6
109.07641	2.4
110.06065	1.7
112.02182	22.2
113.00598	4.3
113.01727	2.5
114.00119	3.3
114.03767	12.8
116.01672	14.0
116.07098	8.1
124.02189	4.6
125.09568	1.5
126.03689	2.3
126.05543	14.2
127.05049	5.7
128.07059	1.7
129.06606	4.9
130.03229	9.1
130.04994	7.7
131.02740	21.4
131.08591	2.2
136.03964	2.4
139.05034	5.3
140.01674	5.0
141.06628	3.8
142.03214	30.6
143.02753	20.6
144.06541	6.3
145.06116	1.6
145.10173	1.7
153.01814	1.8
153.06644	2.5
155.08157	5.1
156.04729	1.5
156.06548	3.2
157.04305	5.4
157.06111	1.5
158.02710	23.0
159.07712	7.4
168.04832	3.1
168.06372	1.6
169.04295	11.0
170.02690	2.5
173.09460	3.0
176.03740	5.8
181.06099	3.8
183.32338	1.4
184.06024	1.7
185.03793	52.3
191.04857	10.2
193.06419	11.2
196.04320	9.1
199.07181	2.9
202.05347	3.4
203.04863	100.0
211.05370	5.7
211.13292	2.5
214.05287	1.8
219.07968	20.6
223.05367	1.6
223.07651	1.9
224.03784	4.2
229.06427	44.2
231.04340	2.1
231.07997	6.8
232.05276	1.6
233.11711	3.3
238.13060	1.4
241.06429	7.2
247.07469	15.2
248.11137	2.1
259.07477	8.3
263.57645	1.6
266.12070	5.6
269.05911	4.2
271.03110	1.7
271.06012	37.1
272.06342	52.3
284.13177	5.9
287.07028	13.1
288.11832	1.6
313.08810	2.0
320.15292	5.5
348.12195	2.6
352.88712	1.6
359.09128	3.2
376.11887	9.6
383.16455	2.1
385.17990	1.7
401.17429	2.4
404.20822	2.4
419.18460	28.1
433.11276	1.6
434.11670	13.6
437.19577	12.5
477.18552	1.6
548.22736	3.9
566.23730	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	565.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.8
57.03440	1.4
61.02935	3.5
65.03934	1.2
69.75140	2.1
69.75556	5.6
82.74152	1.3
85.02891	2.7
93.03389	1.3
93.08084	1.2
98.20777	2.4
102.82177	1.2
104.93137	1.2
105.07047	1.4
107.04977	1.4
109.23530	1.4
119.04949	7.1
121.02876	33.2
123.10688	1.1
135.04437	1.6
145.02832	3.2
147.04393	1.9
163.03935	1.8
165.01782	1.3
171.04483	1.2
172.87270	1.3
175.03922	2.3
176.01006	1.8
177.01874	3.9
179.03358	1.3
187.03922	2.3
189.01920	7.6
191.03429	4.4
195.02907	3.6
199.03853	1.4
201.05424	1.4
203.03377	8.4
205.04976	1.7
207.02870	4.8
213.01822	1.4
215.03397	4.2
217.05005	5.2
219.02972	2.2
221.04401	2.4
227.03307	3.0
229.04968	1.6
231.02780	1.5
233.04408	1.7
237.51324	1.2
241.05026	2.5
243.02887	2.7
245.04404	1.6
255.02867	3.6
261.03860	1.5
267.06638	1.7
268.07339	1.7
273.03928	3.3
277.08688	1.4
279.06482	3.9
281.08115	2.9
283.05972	5.0
284.06812	2.0
292.07263	2.0
293.08069	4.8
294.05350	15.3
295.06018	59.1
295.09323	3.2
296.06641	4.2
297.07513	6.2
305.07928	1.7
306.09033	2.5
307.06027	32.6
307.09528	1.9
308.06784	14.5
309.07544	12.9
313.07068	5.0
317.06863	1.7
318.08954	1.7
319.05994	4.8
320.06863	8.8
321.07581	34.5
321.11240	2.5
322.08264	6.5
323.05450	3.8
323.09094	4.3
325.07083	51.1
326.07074	1.6
329.07916	3.5
333.07562	18.6
334.08368	3.5
335.05505	2.2
335.09149	18.5
336.06271	2.8
337.07062	41.8
339.08752	5.7
345.07669	11.3
346.79712	1.5
347.09174	4.7
348.06067	2.3
349.07117	33.1
349.11047	1.2
351.08667	17.8
355.08170	9.8
359.09140	4.0
361.07068	20.6
362.07831	1.3
363.08646	22.8
365.06387	1.8
367.08282	5.7
371.09158	1.7
373.07059	11.3
373.11047	1.8
375.08670	7.0
379.08167	49.7
387.08685	6.0
391.08148	50.4
397.08997	3.6
401.10162	2.6
403.08115	6.1
405.09525	2.4
409.09204	73.5
415.08118	7.3
417.09558	3.3
421.09155	4.9
427.10281	100.0
429.09659	2.2
433.09201	10.4
439.10046	3.9
445.08997	6.9
451.10345	1.5
457.11453	10.6
463.10065	6.4
469.11359	1.6
475.11819	9.9
481.11279	26.1
493.11301	11.1
499.12396	19.2
511.12433	65.2
529.13422	36.1
547.14532	17.4
565.15497	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	565.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97448	1.6
55.01868	4.4
57.03447	3.2
59.21775	1.5
61.02933	4.0
70.57928	5.0
85.02879	3.7
86.25112	1.7
91.05518	2.6
97.02917	2.3
107.04968	3.6
109.02872	3.9
119.04945	9.6
121.02019	2.0
121.02872	38.5
126.66454	1.8
145.02852	5.8
152.94249	1.6
163.03905	3.8
175.03891	3.1
176.01060	3.3
177.01857	5.2
179.03427	4.4
187.03940	3.2
189.01851	13.0
189.05542	2.6
190.02692	2.2
191.03387	6.9
195.02939	5.8
197.06050	2.0
199.03920	2.5
201.01842	2.1
201.05461	2.2
203.03410	15.8
205.04875	3.6
207.02914	6.7
213.05592	2.0
215.03369	3.2
217.05003	4.0
219.02855	6.3
221.04416	2.3
225.05629	2.0
227.03477	2.9
229.04924	5.1
233.04547	4.0
239.03589	1.8
243.02798	3.1
255.02831	3.2
257.04462	2.8
267.06570	3.0
268.07224	4.0
273.03943	2.7
279.06497	6.1
280.07224	2.0
281.08035	6.1
283.05978	7.9
285.03665	2.5
291.06592	1.8
293.08014	4.5
294.05231	20.8
294.08395	3.0
295.06036	85.2
295.09311	2.9
296.06723	9.4
297.07642	10.7
301.50806	1.8
307.06015	64.7
307.09567	4.0
308.06821	17.6
309.04056	2.5
309.07501	18.0
313.07062	7.2
317.08032	3.6
319.06052	8.4
319.09576	3.1
320.06567	5.8
321.07596	35.5
322.05032	2.0
322.08347	12.3
323.05511	3.5
323.09119	7.7
325.07062	88.1
329.08066	2.5
333.07547	24.3
334.08163	2.1
335.05533	3.5
335.09158	14.0
336.06384	4.3
336.09979	1.7
337.07068	63.1
337.11057	3.8
339.08630	2.9
345.07596	6.3
346.08417	2.2
347.09128	13.9
349.07040	43.1
349.10760	3.1
351.08655	28.6
355.08020	10.9
357.07275	1.9
359.09311	2.2
361.07117	26.2
363.08463	11.9
365.10266	10.3
367.08206	10.0
371.08902	2.6
373.07166	6.7
375.08554	13.3
377.10187	2.9
379.08118	100.0
385.06940	4.8
387.08682	5.8
389.10254	4.8
391.08139	33.4
397.09210	50.7
399.08704	1.9
401.10135	3.1
403.08017	20.3
405.09744	6.6
409.09155	37.0
415.10318	17.3
417.09955	4.1
419.11307	3.5
421.09167	20.2
427.10321	25.9
429.09586	2.4
433.09204	18.4
439.10443	20.8
445.11203	31.7
451.10266	29.7
457.11319	49.0
463.10339	7.5
469.11377	44.2
475.10437	10.5
481.11371	35.6
493.04437	1.6
493.11215	29.6
499.12350	30.2
511.12323	37.8
529.13422	44.7
547.14441	32.2
565.15594	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	565.1551
Annotation	Isomollupentin 2''-O-glucoside
Peak:m/z	Relative Intensity
53.80300	1.8
55.01868	5.2
61.02914	3.2
69.84747	6.0
69.85158	4.6
81.03451	2.1
85.02901	4.3
100.27147	1.8
103.03960	2.6
107.04980	3.1
109.02851	2.2
119.04942	6.6
121.02869	41.0
124.03431	1.8
131.61267	2.0
145.02885	8.8
173.02341	2.2
175.03905	3.7
177.01826	4.2
179.03360	2.6
187.03963	3.3
189.01810	9.5
189.05414	3.4
191.03392	3.8
195.02858	6.2
199.03865	2.6
203.03410	16.2
205.04944	2.7
207.02875	6.4
215.03406	6.3
217.04994	6.1
219.02917	3.0
221.04491	2.3
227.03424	6.0
229.04947	3.2
231.02893	4.1
233.04448	4.1
241.05016	3.4
243.02927	3.8
245.04431	6.0
255.02835	4.1
267.06519	3.8
268.07355	4.5
269.04675	2.6
269.08295	1.9
273.04007	3.5
279.06442	4.3
280.07239	3.1
281.08081	6.9
283.06061	7.9
291.06436	3.0
292.06992	2.2
293.08002	8.9
294.05237	20.2
295.06006	86.9
295.09402	4.1
296.06793	6.7
297.07520	10.6
305.08148	4.4
307.05994	59.1
307.09448	5.0
308.06836	13.8
309.07535	19.0
313.07028	5.9
317.07666	4.6
319.06018	7.0
320.06897	5.1
321.07599	49.5
322.08243	12.8
323.05591	3.6
323.09195	7.6
325.07031	75.5
329.08057	3.6
333.07642	23.1
334.08313	6.5
335.09094	23.6
336.06305	4.5
337.07037	47.8
339.08533	3.6
345.07474	14.3
346.08261	2.9
347.09082	10.5
349.07062	53.3
349.10101	2.5
350.07867	2.4
351.08615	29.7
355.08157	8.5
359.09253	4.4
361.07089	28.6
361.11176	3.4
363.08649	28.7
365.10181	3.0
367.07956	9.4
373.06943	12.9
375.08673	12.6
379.08136	76.6
385.08554	2.4
387.08582	6.3
389.10684	4.5
391.08084	52.7
397.09189	20.1
401.10303	3.5
403.08102	14.9
405.09674	8.0
409.09189	79.0
415.09763	13.8
417.09433	3.4
419.11365	3.5
421.09283	10.8
427.10269	100.0
429.09531	3.2
433.09189	17.1
439.10330	9.7
445.11279	24.0
451.10425	13.0
457.11270	26.7
457.71088	2.1
463.10239	8.3
469.11374	26.2
475.10748	14.0
481.11301	44.2
493.11295	20.3
499.12326	39.1
511.12393	68.7
529.13495	64.4
547.14471	38.5
565.15436	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	565.1192
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03949	1.6
53.68610	0.3
55.01863	1.3
57.03424	0.8
61.02908	1.2
64.11346	0.3
68.99781	0.9
69.03088	0.4
69.03434	6.8
70.97669	0.5
70.97996	0.5
71.04989	1.1
73.02910	1.6
77.93562	0.3
81.03423	7.7
85.02908	10.4
87.00833	4.6
89.19044	0.3
91.03934	0.4
92.02613	0.7
93.03393	0.6
97.02886	3.8
99.04456	3.0
105.01870	2.5
109.02881	5.9
114.76167	0.3
117.01839	0.7
121.02870	0.7
126.03197	0.3
127.02972	0.4
127.03918	8.6
129.01807	0.8
137.02345	0.3
139.03914	0.7
145.04962	3.0
147.02895	0.4
149.09546	0.3
151.03908	0.6
153.01836	6.0
159.02904	4.0
165.01849	0.5
176.31871	0.3
177.05499	0.5
217.05008	0.3
218.05685	0.5
228.04169	0.9
229.04932	2.8
231.02917	0.5
231.05031	1.4
245.04407	0.8
246.05273	1.1
257.04492	2.5
273.03912	1.6
274.04691	2.9
284.03131	0.4
285.03989	3.4
287.05457	0.5
299.09146	0.4
300.06189	0.4
301.06720	0.4
302.04208	10.7
302.07004	0.4
315.08661	1.2
316.08997	1.1
317.06549	100.0
318.06766	0.7
322.71738	0.3
339.12326	0.3
564.34161	1.5
565.34503	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1556
Annotation	Corymboside
Peak:m/z	Relative Intensity
55.01868	6.4
57.03447	3.7
61.02924	3.5
62.13332	2.0
65.03929	3.0
68.99789	3.1
69.03429	3.3
69.71496	2.0
70.06610	2.5
76.16533	2.0
81.03440	3.9
85.02911	8.8
91.05482	4.3
95.04977	2.1
97.02883	5.9
103.03960	3.8
103.56645	2.2
105.03410	2.2
107.04963	5.6
109.02897	4.5
119.04977	13.6
121.01997	4.2
121.02877	65.5
121.03874	3.2
121.06577	2.6
127.03914	14.8
131.04837	2.0
135.04483	3.0
137.06004	2.9
139.03902	3.3
145.02843	9.0
147.04393	10.3
161.02286	2.1
161.06012	2.9
163.03951	7.7
175.03932	4.1
177.01855	5.0
177.05527	5.5
179.03455	3.6
187.03917	3.0
189.01839	11.9
189.05571	2.6
191.03391	8.8
195.02892	8.6
195.08119	2.2
199.03928	2.4
201.01886	2.2
201.05472	2.9
203.03423	21.5
205.04845	4.6
207.02910	8.4
215.03441	11.3
217.04915	9.6
219.02879	10.5
221.04480	5.7
229.04945	5.7
231.03065	3.8
233.04443	5.5
235.05850	2.4
243.02940	7.5
243.06601	2.9
245.04375	2.2
247.05923	2.4
255.02699	3.5
257.04449	5.7
261.03970	5.9
267.06427	3.4
268.07376	5.1
269.04550	4.3
271.05972	2.4
273.03897	5.5
279.06570	6.5
280.07336	3.5
281.04919	2.4
281.08124	6.0
283.06055	9.1
285.04010	2.5
291.06454	2.7
292.07449	2.7
293.08093	3.7
294.05249	24.1
295.06033	99.4
296.06815	8.6
297.07544	10.8
301.07080	2.6
305.08075	5.0
307.06024	65.4
307.09369	3.2
308.06775	20.6
309.07629	18.6
313.07053	8.2
317.07309	4.7
319.05978	6.0
319.09460	2.7
320.06921	5.8
321.07590	49.3
322.08514	10.2
323.09161	7.6
325.07083	86.7
327.04944	3.4
329.08078	4.9
333.07642	26.4
334.08377	5.5
335.05582	3.3
335.09155	23.0
336.06296	3.6
337.07114	72.0
339.08667	3.8
345.07602	12.3
347.09244	12.7
349.07074	54.5
349.11359	2.8
351.08649	25.7
353.10184	2.3
355.08188	18.2
359.09265	4.3
361.07056	31.3
363.08698	24.1
365.10373	4.2
367.08209	9.5
373.07016	12.3
375.08630	11.9
377.06360	3.2
379.03284	4.2
379.08145	85.5
385.07236	3.1
387.08643	6.6
389.06281	2.4
391.08163	56.8
393.08917	7.3
397.09192	27.7
401.10242	3.9
403.08105	20.6
405.09613	6.2
409.09204	82.2
411.09293	6.3
415.10391	11.9
419.11197	3.7
421.09192	13.0
427.10315	100.0
429.09421	3.7
433.09344	17.9
439.10428	11.8
445.11115	25.3
447.10529	2.9
451.10443	17.2
457.11389	28.3
463.10349	9.0
469.11200	29.4
475.10529	15.0
481.11420	42.0
493.11288	27.1
499.12442	35.2
511.04855	4.5
511.12436	86.3
529.13458	61.4
547.14539	32.1
565.15546	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.01860	4.9
55.05514	12.4
57.03441	11.2
61.02918	3.7
65.03931	2.0
67.05512	40.3
69.03410	5.9
69.07082	14.2
70.11199	5.5
71.04986	5.6
74.45411	1.4
79.05074	2.1
79.05503	32.9
81.03416	7.3
81.06579	2.7
81.07064	50.5
82.36688	1.4
83.05008	8.0
83.08620	8.1
85.02883	4.2
85.06525	4.5
91.03958	1.5
91.05491	18.9
93.06490	2.5
93.07056	45.4
95.04948	6.3
95.08617	16.1
97.02895	3.4
97.06535	13.1
97.10162	3.2
99.08093	3.2
105.06512	1.3
105.07047	13.7
107.04958	4.0
107.08599	24.4
109.06507	4.2
109.10143	5.9
111.08063	5.1
111.14603	1.4
117.07005	10.5
119.08598	15.3
121.06522	3.7
121.10157	13.2
121.51088	1.4
123.11687	3.5
123.29385	1.6
125.09624	4.0
127.03922	3.0
131.08601	11.8
133.10150	12.9
135.08060	3.4
135.11719	16.0
143.08551	2.0
145.10123	8.4
147.11700	7.6
149.09660	8.4
149.13257	13.0
151.11183	3.1
157.10141	3.1
159.11717	21.4
161.13232	4.0
163.11188	6.2
163.14749	1.4
171.10237	1.9
171.11661	2.4
173.04469	2.0
173.13277	3.8
177.12784	25.3
179.14304	6.9
181.12302	1.5
183.43315	1.5
195.13780	7.9
233.80310	2.0
239.17990	2.5
251.16431	5.0
255.15923	42.1
257.18991	4.5
269.17502	100.0
275.20087	16.8
349.23746	39.8
367.24805	19.1
413.21738	4.2
511.29199	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	564.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14478	3.0
53.03939	4.7
55.01870	4.6
55.05520	15.5
57.03437	17.2
57.07071	5.0
67.05509	80.5
69.07072	25.2
69.21591	22.6
71.04980	4.6
79.05060	5.0
79.05492	53.8
81.07063	93.5
83.04970	3.9
83.08625	13.9
85.06529	6.4
90.97624	2.9
91.05490	31.2
93.07051	72.0
95.04948	3.1
95.08612	38.1
97.06519	8.8
98.21613	6.7
99.04446	4.1
105.07024	20.0
107.08614	34.0
109.10162	12.5
111.08076	5.6
113.09657	3.9
117.07049	8.4
119.08573	15.1
121.06465	4.4
121.10159	30.4
130.60011	3.5
131.08580	13.4
133.06497	3.8
133.10139	9.4
135.11717	15.3
135.84526	3.0
139.52187	2.8
139.91063	2.9
145.10109	7.6
147.11673	4.9
149.13264	34.5
149.60988	2.8
157.10042	2.7
159.11725	15.9
163.14874	4.7
173.13248	5.1
175.11195	5.7
177.12775	25.1
182.38585	3.6
187.14821	3.1
193.99261	3.0
195.13771	12.5
219.13783	18.6
234.99321	3.2
261.22256	9.8
269.17493	89.0
271.13126	4.4
315.22079	3.0
327.19547	4.6
335.25803	79.2
529.38940	100.0
564.26624	7.7
564.39581	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.5
55.01868	8.4
55.05272	2.6
55.05514	34.2
57.03446	21.2
57.07076	5.6
61.02935	21.5
64.24078	2.7
65.03935	4.0
67.05508	87.7
69.03442	15.4
69.07077	41.0
71.04985	9.3
73.02914	7.9
79.05499	89.2
81.03424	20.2
81.07063	100.0
83.04988	18.2
83.08624	16.8
85.02912	30.9
85.06558	5.6
87.04485	4.3
89.88107	2.7
91.03989	12.1
91.05485	82.5
93.07053	92.8
95.04991	15.0
95.08611	48.9
97.02890	20.1
97.06532	16.0
97.10166	6.2
99.04426	5.5
99.08096	10.3
103.03968	4.0
105.07041	78.8
107.04981	9.0
107.08602	55.5
109.02905	4.2
109.06525	8.3
109.10178	20.9
111.04401	3.4
111.08092	9.2
115.05469	4.1
117.07013	33.4
119.08585	70.3
121.06506	8.9
121.10155	37.2
123.08083	8.4
123.11732	6.8
125.09647	3.2
127.03894	9.6
128.06239	3.1
129.05489	7.4
129.07014	11.2
131.08583	39.0
133.10130	47.6
135.08083	8.2
135.11697	27.7
137.09633	6.1
139.11205	3.2
143.08592	11.3
145.04965	3.6
145.10127	26.9
147.08069	3.7
147.11684	42.6
149.08594	2.5
149.09593	16.4
149.13277	32.6
151.11147	3.6
157.10077	13.0
159.11705	38.1
161.09642	3.2
161.13283	23.5
163.11186	7.3
163.14857	3.9
169.10152	5.0
171.11716	15.2
173.13223	14.5
175.11171	3.8
175.14774	4.6
177.12738	8.8
179.14342	4.2
183.11682	2.7
185.13278	7.2
187.14906	3.1
189.11165	3.3
193.12440	2.7
195.13828	12.1
199.14909	7.7
204.62349	2.7
213.16423	2.8
217.15878	3.4
227.12697	2.8
229.14357	5.7
229.19595	4.7
231.20908	3.5
239.18030	3.5
241.19629	18.0
257.19083	6.8
259.20584	59.2
267.15836	3.1
269.17508	65.2
275.20029	24.0
277.21658	3.7
289.72763	2.4
349.23755	10.4
351.21100	5.6
351.25278	84.1
375.69473	2.6
441.26633	2.8
447.27347	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	564.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.6
53.03948	7.1
55.01871	7.3
55.05513	28.2
57.03437	22.4
57.07082	2.1
61.02928	24.9
65.03957	3.1
67.05509	76.2
69.03436	12.4
69.06726	2.4
69.07072	31.5
70.35291	1.6
70.73518	1.5
70.97735	2.9
70.98082	3.6
71.01373	2.0
71.04992	9.7
73.02924	6.0
74.22296	1.6
79.05496	81.4
81.03420	13.8
81.07062	100.0
83.04987	19.5
83.08621	18.4
85.02908	25.3
85.06543	4.1
91.03950	7.6
91.05484	69.7
93.07047	97.9
95.04978	13.9
95.08614	51.1
97.02904	16.4
97.06536	18.7
97.10176	5.9
98.09708	2.4
99.04464	3.5
99.08076	8.5
105.07038	68.8
107.04978	6.9
107.08597	55.7
109.02916	2.9
109.06527	7.8
109.10157	16.1
111.08083	7.3
117.07027	25.0
119.04827	1.8
119.08584	54.9
121.06510	5.0
121.10157	41.9
123.08094	8.1
123.11682	6.1
125.09654	2.4
127.03929	7.8
129.05490	5.8
129.07013	12.1
131.08566	32.9
133.10138	53.1
135.08047	5.3
135.11688	31.3
137.09668	4.0
137.13292	2.9
141.07001	2.1
143.08568	10.3
145.04997	3.0
145.10121	24.4
147.11679	37.1
149.09612	14.5
149.13260	36.4
151.11256	2.6
153.09070	2.0
155.08566	1.9
157.10141	10.8
159.11696	38.6
161.09682	2.1
161.13261	23.2
163.11220	7.2
163.14845	3.9
165.09201	2.1
169.10156	3.9
171.11699	11.4
173.13307	11.1
175.14815	10.1
177.12772	12.0
179.14366	4.5
183.11687	3.1
185.13243	10.4
187.11140	1.8
187.14722	2.6
189.12784	3.2
191.14355	2.8
195.13850	12.3
197.13354	1.9
199.14836	6.9
203.14391	2.1
213.16370	3.3
215.18008	2.3
217.19513	1.9
219.13875	2.0
220.45142	2.0
229.19475	3.1
231.21054	3.6
239.18094	2.1
241.19504	21.3
247.20621	2.0
257.19028	6.5
259.20581	53.0
267.15906	3.1
269.17490	95.0
275.20062	18.5
277.21710	7.2
281.17529	4.0
333.24237	10.3
349.23648	13.0
351.25305	92.3
441.26282	2.6
459.27429	2.5
461.28467	3.1
495.29465	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	564.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01859	4.9
55.05516	14.7
57.03443	8.9
57.07062	1.7
61.02918	4.3
62.61458	1.4
67.05183	2.0
67.05513	34.2
69.03413	2.4
69.07070	20.2
70.11417	4.1
70.11802	3.5
71.04980	3.8
73.23456	1.8
79.05500	26.8
81.03408	3.3
81.06584	2.3
81.07062	31.4
83.04977	4.4
83.08622	8.0
85.02898	4.8
89.21482	1.6
91.03964	2.2
91.05494	19.8
91.79903	1.7
93.07055	25.9
95.04984	3.4
95.08604	14.1
97.02868	3.3
97.06551	8.8
97.10169	11.8
98.44485	1.5
98.62108	1.5
99.08080	2.6
105.07047	20.7
107.04953	5.5
107.08609	26.8
109.10175	9.9
111.08085	2.3
117.07024	9.0
119.08592	15.2
121.06537	2.0
121.10156	10.4
123.08065	2.7
123.11728	2.4
125.09639	11.9
127.03941	3.0
129.07024	4.3
131.08609	10.2
133.10156	15.6
135.08051	2.2
135.11690	7.3
143.08540	2.0
145.10130	17.9
147.11632	8.7
149.09616	10.9
149.13254	3.9
157.10133	4.6
159.11720	12.3
161.13284	3.5
161.37169	1.4
163.11186	6.9
171.10231	3.8
171.11705	2.9
173.13254	5.8
175.14780	1.5
177.12791	9.9
179.14372	4.5
181.12164	1.8
183.11728	2.5
189.11215	4.6
195.13747	2.5
227.12872	11.6
229.14313	5.8
239.17972	6.0
245.13889	5.3
247.20560	3.3
251.16550	2.3
255.15918	13.9
257.19049	14.1
269.17487	34.7
275.17273	3.2
275.20087	36.5
293.21078	2.4
349.23764	100.0
362.89380	2.0
367.24832	14.1
511.29044	1.9
514.41528	1.7
553.70557	1.6
585.47784	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72712	0.7
53.03940	1.3
55.01879	5.1
55.05516	13.0
57.03429	2.8
61.02920	2.2
67.05512	12.9
69.03422	3.0
69.07078	10.9
71.04992	1.9
71.53739	1.1
71.54112	0.9
79.05497	19.0
81.03408	3.1
81.07066	13.2
83.04973	1.8
83.08625	7.3
85.02892	2.9
85.06524	1.0
85.53037	0.7
88.45160	0.8
89.93923	0.8
90.61699	0.7
91.03978	1.3
91.05485	12.4
93.07040	10.2
95.04986	2.0
95.08619	7.5
97.02895	2.9
97.06536	6.3
97.10175	14.7
105.07043	13.6
105.88646	0.7
107.04970	4.9
107.08598	30.3
109.02859	1.4
109.06537	1.2
109.10163	5.6
111.08083	1.9
117.07014	4.3
119.08580	6.7
121.06496	1.4
121.10175	3.9
123.11677	2.0
125.09636	12.8
127.03921	1.8
129.06947	0.9
131.08572	5.3
133.10129	7.2
135.08061	2.4
135.11685	3.1
137.05963	1.1
143.08582	1.4
145.10133	10.8
147.11713	5.1
149.09636	8.6
149.13350	0.8
151.11169	0.7
153.09152	1.4
157.10170	0.9
159.11684	3.8
161.13232	2.3
163.11166	3.2
167.03294	0.8
169.10130	1.0
171.10176	2.5
171.11671	1.7
173.09618	0.8
173.11900	0.8
173.13275	1.9
177.12724	1.7
179.14264	1.2
181.12250	0.9
182.12842	0.7
183.11656	1.6
185.13278	0.9
189.11232	8.4
227.12769	12.9
229.19530	1.3
239.18018	1.8
243.06474	0.8
245.13837	6.2
255.16002	1.1
257.16330	1.0
257.18985	13.0
269.17432	1.4
275.20081	22.1
293.21155	2.0
302.28171	0.8
315.08627	6.5
316.08975	11.2
331.22867	2.2
349.23752	100.0
350.24252	1.0
367.24722	8.4
389.17944	2.3
402.12518	0.9
511.29028	3.0
529.30072	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.5
55.01862	3.9
55.05515	16.1
57.03438	8.7
57.07061	3.2
64.59277	1.6
65.03938	2.3
67.05508	61.5
68.17612	1.3
69.07075	21.4
71.04990	5.0
71.08620	4.5
71.17307	2.5
71.17654	2.4
73.06557	2.0
79.05070	2.2
79.05501	37.6
81.07061	100.0
83.04970	7.1
83.08607	11.5
85.06548	3.4
87.04440	1.5
91.05486	31.6
93.07051	43.5
94.18909	1.4
95.04973	5.7
95.08612	46.1
97.06520	7.6
97.10172	5.0
99.08075	5.5
105.07040	33.3
107.04961	2.1
107.08606	31.8
109.06516	6.1
109.10175	19.0
111.08060	4.3
112.64629	1.4
113.06003	1.6
117.07034	7.8
119.08583	25.0
121.10154	27.6
123.08051	4.7
123.11716	22.1
125.09645	3.1
127.07575	1.6
129.07030	3.7
131.08589	10.3
133.10146	11.3
135.11703	11.5
137.13229	2.9
143.08598	2.2
145.10126	8.5
147.11694	38.2
148.84259	1.6
149.09644	3.0
149.13297	9.1
151.11194	3.4
157.10135	2.2
159.11673	7.6
161.13278	5.4
163.14821	3.4
165.12750	12.4
169.10109	1.9
171.11665	4.0
173.13268	5.2
175.11215	2.3
175.14859	2.8
179.14264	1.8
183.13794	2.5
185.13290	1.7
187.14888	2.8
193.12195	1.7
195.13722	2.6
198.59969	1.3
202.59471	1.6
227.12833	3.2
229.14345	4.4
232.71425	1.6
243.21048	4.9
261.22137	19.0
267.15958	26.9
269.17560	3.7
277.21606	4.9
279.23233	4.6
285.16959	36.3
289.36478	1.6
317.24677	6.6
335.22040	2.3
335.25842	32.7
351.25250	2.3
353.26834	3.1
411.04282	1.5
435.32413	1.9
453.33640	3.2
471.34216	2.6
527.37280	8.3
545.38354	33.4
563.24805	2.5
563.39459	15.8
563.47913	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	563.176
Annotation	Chrysin 7-rutinoside
Peak:m/z	Relative Intensity
57.03436	0.8
60.57191	0.1
60.66568	0.1
60.78152	0.1
67.01872	0.3
67.91690	0.1
68.59547	0.1
68.99812	0.3
69.43230	0.8
71.04996	3.9
73.02937	0.2
75.04472	0.2
83.04963	0.1
85.02911	4.9
87.04430	0.1
99.04496	0.1
103.05453	0.4
105.03429	0.2
108.60529	0.1
123.10171	0.1
129.03391	0.3
129.05493	0.9
136.01959	0.1
141.10249	0.1
147.04422	0.3
147.06517	0.1
153.01845	2.1
171.02960	0.2
209.05992	0.4
211.17015	0.2
227.06859	0.1
241.10950	0.2
255.06525	100.0
256.06958	0.6
274.08859	0.3
315.08597	0.7
389.12906	0.1
417.11829	14.6
563.31720	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.1
57.03432	0.2
63.44154	0.1
67.05514	0.1
68.99789	0.1
71.04996	0.9
71.53748	0.1
71.54128	0.2
73.21823	0.1
81.03400	0.3
81.07052	0.3
84.08170	0.2
85.02911	1.2
85.49148	0.1
87.50605	0.1
91.05490	0.2
93.07103	0.1
97.02889	0.1
109.10146	0.2
111.04443	0.1
119.08566	0.2
121.58350	0.1
127.03949	0.3
129.05481	0.3
133.06493	0.8
133.10083	0.1
135.04375	0.2
153.01807	1.1
171.02956	0.1
177.05489	0.2
239.07080	0.2
242.05731	8.9
243.06567	0.1
270.05237	10.1
285.07571	100.0
286.07831	0.7
300.06265	0.3
301.07068	0.2
315.08633	0.8
417.11807	13.5
563.17413	0.7
563.25085	0.2
563.34595	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	563.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.3
54.76783	1.8
55.01874	4.0
55.05515	20.8
55.34589	1.6
57.03431	7.1
57.07077	3.1
65.03946	2.3
67.05508	66.9
69.03410	2.9
69.07073	19.3
69.67807	9.1
71.05003	5.4
71.08634	2.2
79.05497	40.8
81.03416	3.0
81.07063	100.0
83.04980	8.9
83.08626	9.9
85.02914	2.3
85.06532	5.3
90.76286	1.6
91.05492	37.0
93.06587	1.6
93.07049	47.9
95.04967	6.2
95.08614	50.5
97.06520	4.6
97.10145	4.4
99.08109	4.2
105.07037	34.9
106.07410	2.9
107.08598	31.3
109.02869	2.3
109.06506	6.0
109.10156	21.6
111.04462	2.0
111.08116	1.8
113.06022	2.2
117.07030	6.9
119.08592	30.7
121.06507	3.1
121.10152	29.5
123.08080	4.6
123.11709	21.9
125.09624	2.6
126.28050	1.6
127.03927	2.9
129.07001	2.3
131.08578	18.8
133.10161	16.4
135.08080	2.6
135.11700	16.6
136.12059	2.5
137.09628	2.4
137.13257	4.3
145.10141	11.5
147.10510	3.1
147.11688	47.9
149.09605	2.1
149.13271	9.1
151.11198	2.5
157.10098	3.6
159.11725	5.6
161.13274	4.8
163.11273	1.9
163.14803	3.7
165.12761	18.4
171.11707	3.1
173.13228	5.3
175.14946	2.7
177.16397	2.0
179.14221	1.7
183.11620	1.9
183.13878	2.3
185.13258	1.7
187.14841	5.2
193.12318	2.8
201.16342	2.6
204.04671	1.6
227.12866	3.2
229.14417	8.0
233.22676	1.9
243.21089	6.0
253.14310	1.7
255.15904	2.0
261.22156	30.9
267.15915	35.0
275.19983	2.4
277.21646	3.4
279.23175	6.0
285.16946	36.9
291.19409	3.5
302.27719	1.9
317.24774	8.4
328.06781	1.6
335.25821	66.4
353.26593	3.1
387.90121	1.9
442.18204	2.0
453.26898	1.5
453.33740	3.9
471.34738	3.6
517.13013	2.3
527.37488	9.0
545.38434	41.1
563.39685	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	563.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98322	0.1
55.01862	0.1
55.05520	0.2
61.02924	0.1
67.05514	0.3
69.03439	0.3
69.07081	0.2
69.34989	0.5
69.35417	0.4
70.06599	0.1
71.04986	0.1
81.03424	0.3
81.07076	0.3
85.02913	0.4
87.00821	0.1
91.05491	0.2
92.91508	0.1
93.07058	0.2
95.08617	0.2
97.02917	0.1
97.06573	0.1
99.08170	0.1
103.05521	0.1
105.07041	0.2
107.04946	0.1
109.02883	0.2
109.10150	0.3
116.62883	0.1
121.10087	0.1
124.01593	0.2
127.03933	0.3
137.05989	0.3
147.04393	0.2
148.05180	0.8
149.02362	0.4
152.01057	0.2
153.01805	0.8
163.07594	0.3
165.18692	0.1
178.02611	0.5
179.03436	0.1
183.02934	0.3
226.06256	0.2
227.06961	0.2
242.05707	0.6
253.04961	1.8
254.05765	1.5
255.06549	0.4
257.04449	0.3
259.09735	0.4
268.03534	0.1
269.04501	0.4
269.07974	0.2
270.05304	0.4
271.06027	5.8
272.06805	0.1
281.04486	1.0
282.05255	3.7
283.05933	0.6
284.06708	0.2
285.03983	1.4
286.04745	1.5
297.03940	0.2
299.05515	22.3
300.06287	4.8
301.07257	0.2
315.08624	100.0
316.08875	0.6
477.13913	1.6
519.15143	0.2
545.12665	0.1
563.13879	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	563.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.2
61.02919	0.2
67.05508	0.2
69.03414	0.2
69.07077	0.1
69.97173	0.4
71.04984	0.2
73.02917	0.4
79.05503	0.1
81.03422	0.1
81.07065	0.2
83.04990	0.2
85.02917	0.6
93.07056	0.2
95.08619	0.1
97.02905	0.4
109.02900	0.2
109.10133	0.1
111.04465	0.1
121.06523	0.2
127.03922	0.2
129.05280	0.1
131.04942	0.1
132.05803	0.1
133.06493	1.1
135.04434	0.2
137.05956	0.1
153.01823	1.0
159.04430	0.2
161.05965	0.2
169.01151	0.1
171.02948	0.1
174.06731	0.2
179.03419	0.1
201.05403	0.3
211.03981	0.1
213.05545	0.1
227.06972	0.2
229.05022	0.2
230.05643	0.2
241.04932	0.9
242.05759	10.8
243.06471	0.2
247.15930	0.1
248.06897	0.2
254.05708	0.2
255.06584	0.4
256.92877	0.1
257.04514	0.3
257.08234	0.1
269.04501	1.9
269.07300	0.2
270.05252	9.8
271.06055	0.2
272.06702	0.2
284.06860	0.1
285.07590	100.0
286.08005	0.5
299.05499	0.4
300.06314	13.6
315.08640	34.7
316.09003	0.3
431.13495	0.3
563.17621	0.2
563.36249	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	563.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95861	0.2
53.03934	0.9
55.01865	0.7
55.05515	0.3
57.03419	1.0
61.02914	0.9
67.05500	0.4
68.99786	0.5
69.03432	4.3
69.54134	1.0
69.54542	0.4
69.91199	0.2
71.04984	0.5
73.02913	0.7
75.49183	0.2
79.75830	0.2
80.83430	0.2
81.03425	4.0
81.07047	0.3
85.02907	7.7
87.00827	2.8
91.03946	0.4
91.05480	0.4
97.02897	2.5
97.11958	0.2
98.20757	0.5
99.04461	1.3
103.03973	0.3
105.01882	1.5
105.07056	0.4
107.08515	0.3
109.02895	3.5
117.01886	0.6
127.03926	5.5
129.01855	0.3
134.03630	1.6
137.05956	0.8
138.03206	0.4
145.04962	1.3
145.10149	0.3
159.02873	1.8
163.03841	0.7
166.02600	1.2
167.03391	5.0
184.03680	1.0
192.04027	0.3
216.07835	0.4
227.07034	1.2
229.29871	0.3
231.04922	0.6
240.04207	0.7
242.05719	0.9
243.06587	2.7
244.07349	1.8
255.06554	4.2
259.09714	0.7
268.03824	0.5
270.05301	0.8
271.06058	0.7
272.06857	0.7
282.05273	0.3
283.06039	6.9
285.07571	5.3
299.05524	1.4
300.06296	11.2
315.08627	100.0
316.08972	0.5
339.08469	0.3
552.75635	0.3
563.13824	0.3
563.35718	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01867	3.1
55.05516	13.2
57.03441	11.4
58.49376	0.9
65.03948	1.1
67.05513	20.2
69.03429	2.9
69.07072	4.4
70.11644	4.4
71.04987	3.7
77.60516	1.0
79.05507	18.7
81.03426	81.4
81.07063	21.5
83.04994	10.9
83.08624	19.2
85.02924	10.7
85.03396	1.8
85.06564	1.2
87.04475	1.2
91.05493	23.2
93.07051	13.4
95.04987	24.9
95.08599	7.0
97.02905	2.9
97.06548	3.7
97.10199	6.1
99.04513	1.4
105.07038	21.7
106.45489	1.0
107.04957	6.9
107.08614	8.9
109.06528	4.5
109.10158	4.7
111.04417	1.7
111.08094	9.1
113.05997	1.5
115.05466	1.9
117.07024	2.6
119.04956	1.2
119.08593	18.2
121.06553	2.8
121.10136	8.9
123.08099	2.4
123.11739	1.8
125.09632	3.6
129.07024	10.5
131.08582	14.0
133.06526	3.1
133.10146	8.3
135.11705	2.1
137.09622	2.6
142.07768	1.4
143.08583	2.1
145.06497	3.4
145.10150	1.5
147.08060	4.5
147.11719	10.4
149.09573	5.5
155.08490	1.4
157.10146	13.6
163.11189	1.4
165.12804	2.2
175.11234	12.2
181.10219	1.5
189.12727	1.2
193.12248	32.8
211.13315	16.9
223.13332	1.4
228.76935	1.1
249.14885	3.0
255.13902	1.3
267.15936	100.0
273.14822	3.5
285.16971	20.6
291.19559	1.7
341.21136	1.8
349.21518	2.8
361.98978	1.3
365.23093	3.3
367.22708	10.3
385.23767	10.9
385.56677	1.1
403.24753	4.0
433.25894	10.7
441.26443	5.1
459.27466	54.0
477.28503	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	562.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01864	4.5
55.05518	14.1
57.03427	6.1
61.02919	1.5
62.46806	1.5
67.05513	13.8
69.03448	6.6
69.07073	18.6
69.26715	10.1
79.05498	15.8
79.85709	1.2
81.03418	22.8
81.07068	18.0
83.04971	4.2
83.08640	9.5
85.02893	4.2
91.05489	17.9
93.07047	11.9
95.04972	9.8
95.08602	6.2
97.02882	7.9
97.06541	1.4
97.10179	8.6
98.21471	2.6
105.07041	10.5
107.04952	5.8
107.08588	8.9
108.53932	1.3
109.06490	3.0
109.10144	5.0
109.97202	1.6
111.08088	3.1
115.30208	1.4
117.07033	4.4
117.18691	1.3
119.08621	9.4
121.06542	3.4
121.10162	5.3
123.08051	2.4
123.11720	1.3
125.09667	9.9
129.07025	4.2
131.08598	7.3
133.06538	2.0
133.10133	5.8
135.08034	3.2
135.11739	1.3
137.09630	2.0
143.08501	2.3
145.10114	2.4
147.08035	4.5
147.11685	5.2
149.09634	1.9
151.73376	1.3
153.09134	1.4
157.10103	3.2
159.11702	2.6
161.09579	2.1
171.10278	1.4
175.11223	3.1
179.28760	1.7
189.11188	4.7
193.12238	10.1
205.12279	1.4
209.93672	1.2
211.13315	6.7
218.53960	1.5
223.13295	12.8
225.78717	1.4
227.12772	3.9
245.11569	1.4
249.14969	3.1
254.64261	1.3
267.15945	23.2
273.18488	6.3
285.16974	14.5
291.19577	72.3
347.21948	2.9
365.23254	100.0
459.27371	11.4
477.28458	10.2
527.28070	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	562.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01860	4.6
55.05517	18.7
57.03433	3.9
59.04995	1.4
59.29601	1.0
61.02958	1.3
67.05183	1.4
67.05510	22.0
69.03431	8.3
69.07078	16.4
71.04998	1.9
73.02943	2.2
79.05492	17.4
81.03426	11.5
81.06646	1.5
81.07065	17.8
81.15518	1.2
83.04987	1.9
83.08628	10.2
83.90813	1.4
85.02901	4.3
91.05481	15.2
93.07048	13.6
95.04962	8.6
95.08619	7.6
96.40660	1.1
97.02906	7.7
97.06511	2.5
97.10180	13.1
105.07047	12.1
107.04949	5.5
107.08614	11.4
109.06509	2.5
109.10175	6.1
111.08070	2.1
113.15591	1.1
117.07021	4.9
119.04979	1.6
119.08599	8.5
121.06515	3.6
121.10137	5.0
123.08031	2.3
125.09645	10.6
127.03918	5.4
129.06995	2.9
131.08551	8.1
133.06480	3.1
133.10127	3.4
135.08057	2.7
135.11662	3.0
137.09599	1.6
143.08539	2.0
145.10106	3.4
147.08049	5.4
147.11693	2.4
149.09618	1.9
157.10118	3.6
159.11674	3.2
161.09616	2.6
163.11124	2.2
165.09218	1.9
171.11768	1.2
175.11224	3.1
189.11203	4.6
193.12242	4.1
195.13770	1.7
205.12273	1.2
211.13367	2.2
223.13326	14.0
227.12775	4.0
229.14362	1.6
245.18959	1.7
249.14931	2.7
267.15933	4.2
267.52090	1.3
273.18521	8.5
285.16907	10.9
291.19562	100.0
347.22009	1.8
365.23267	83.3
435.23715	3.5
459.27444	1.4
461.25128	1.2
477.28336	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.0
55.05510	15.2
57.03431	5.8
61.02927	2.3
67.05215	2.0
67.05511	18.0
68.00988	1.5
69.03421	7.7
69.07069	20.1
71.04973	2.3
79.05489	14.9
81.03429	11.6
81.07055	19.6
83.04980	3.2
83.08617	6.8
85.02905	6.3
91.05482	13.5
93.07047	15.9
95.04962	8.7
95.08620	9.5
97.02886	8.9
97.06595	2.0
97.10158	9.6
105.06428	2.1
105.07041	10.5
107.04957	6.5
107.08581	8.2
109.02910	1.8
109.06509	2.3
109.10188	7.1
111.08060	2.4
117.07017	3.9
119.08563	9.0
120.08144	7.8
121.06521	4.1
121.10149	4.4
125.09642	6.8
129.07007	2.7
131.08582	5.5
133.06485	3.2
133.10139	3.8
135.08118	3.8
135.11786	2.0
139.96341	1.7
143.08572	2.9
145.10132	5.1
147.08049	4.7
147.11697	2.8
149.09627	2.4
157.10217	2.1
162.56850	1.5
163.11201	2.3
171.11649	2.0
175.11183	4.6
189.11282	4.1
193.12282	4.6
211.13217	1.9
223.13313	9.5
227.12827	4.0
233.15582	1.6
240.03470	2.2
245.31979	1.6
249.14931	3.8
267.15894	4.1
273.18518	13.5
285.16940	9.7
291.19540	67.7
347.22272	5.5
365.23233	100.0
477.28455	2.0
491.26254	1.8
527.28351	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	562.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46475	0.8
53.03935	2.2
53.05210	0.9
55.01874	6.7
55.05521	8.0
57.03442	7.3
57.72152	0.9
61.02921	2.8
62.45139	0.8
65.03928	1.5
67.05512	33.8
69.03428	4.5
69.07078	9.7
69.71225	5.0
70.28149	0.8
71.04973	3.9
73.02926	1.6
79.05075	1.4
79.05500	18.9
81.03417	7.4
81.07066	30.4
83.04984	6.6
83.08622	4.9
85.02901	4.8
85.06524	2.7
91.05492	29.7
93.07050	19.8
95.04977	6.1
95.08615	10.6
97.02881	3.2
97.06533	2.6
97.10144	2.1
99.04448	1.8
105.07040	25.5
107.04979	5.3
107.08606	23.6
109.02833	1.1
109.06547	4.9
109.10164	41.0
110.10493	1.1
111.04475	1.7
111.08056	2.6
113.05984	2.1
117.07011	4.3
119.08624	7.0
121.06553	4.7
121.10157	3.9
123.08053	2.0
123.11742	7.3
125.05929	1.0
125.09662	2.0
127.07539	2.1
128.06245	1.5
129.05484	1.9
129.07004	1.6
131.08591	8.8
133.06471	3.7
133.10143	49.1
135.08092	5.4
135.11717	3.3
137.05933	1.3
137.09586	2.4
143.08618	1.5
145.10133	3.8
147.08058	2.4
147.11685	3.5
149.09612	6.3
151.11200	23.9
157.10161	2.4
159.08076	2.4
159.11685	1.4
161.09663	4.7
163.11238	1.4
169.12318	4.1
171.11642	1.2
173.11772	1.2
175.11200	2.2
177.09094	2.5
179.10603	1.5
180.70792	0.8
193.12219	1.6
201.12901	1.0
215.12769	2.8
227.18034	1.0
229.14313	1.5
245.19020	2.7
251.12688	1.6
253.14371	93.9
255.17354	1.0
263.20126	4.5
267.15903	2.4
269.13837	3.2
271.15442	14.3
273.18527	12.1
285.16910	3.0
291.19583	14.8
347.22125	6.2
365.23254	100.0
383.24393	2.6
459.27240	1.7
477.28241	3.9
527.28375	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.5
55.01867	4.1
55.05508	30.5
57.03440	13.4
57.07079	4.4
57.49606	2.5
65.03954	4.0
67.05506	83.5
69.07063	30.4
69.47805	20.5
71.04998	3.4
77.11975	2.4
79.05492	67.6
81.03427	6.4
81.06586	4.3
81.07058	74.0
83.04973	9.7
83.08173	3.4
83.08617	12.1
85.06534	4.2
88.35337	2.7
91.05484	49.4
93.07044	59.7
93.79488	2.8
95.04971	15.2
95.08058	4.3
95.08607	59.2
97.06535	3.9
97.10177	7.1
105.07027	38.5
107.02203	2.9
107.08604	23.9
109.06529	4.7
109.10171	19.4
117.06986	11.1
119.08603	26.8
121.10162	8.2
123.08073	2.8
123.11719	5.1
129.06984	15.7
131.08578	4.5
133.10149	12.5
135.11690	4.7
137.13261	5.0
143.08618	6.8
145.10123	10.3
146.88589	2.9
147.11691	33.5
152.86523	2.5
161.09656	2.8
161.13245	7.4
171.11664	26.4
188.71326	2.8
189.12747	9.5
207.13864	34.9
263.23651	4.4
281.17468	49.5
337.23279	3.5
337.27353	62.0
543.40442	100.0
561.41278	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	561.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.3
52.22534	1.0
53.03939	6.0
55.01864	2.8
55.05516	20.7
57.03420	4.2
57.07073	1.9
59.04990	1.5
61.02909	1.1
65.03945	5.4
67.05508	79.4
69.03420	4.0
69.06726	1.4
69.07069	18.6
69.83292	2.5
69.83703	3.7
71.04602	2.0
71.04997	45.5
71.08624	3.4
79.05496	61.5
81.03425	3.3
81.07061	100.0
83.04987	11.6
83.08624	11.1
85.06551	6.2
91.05487	63.1
93.07048	65.0
95.04962	8.1
95.08614	34.9
95.09138	0.6
95.09241	1.2
96.08707	1.0
97.06540	11.3
97.10161	3.9
99.08089	5.0
105.04515	1.5
105.07029	33.1
107.04936	2.5
107.08603	33.0
109.06509	4.3
109.10159	16.0
111.08072	2.9
115.05457	1.8
117.07019	12.4
119.08583	14.6
121.06483	2.1
121.10144	22.9
123.08048	2.3
123.11707	15.8
125.09621	2.3
129.06992	2.8
131.08580	15.8
133.10146	29.8
135.08083	2.5
135.11691	13.1
137.09616	2.0
143.08568	2.0
145.10141	8.2
147.11684	6.2
149.09634	2.6
149.13266	15.1
151.11194	12.8
157.10130	2.5
159.11687	12.7
161.13260	4.0
163.11189	1.7
163.14917	1.6
165.12697	1.4
171.11668	1.9
173.13254	3.3
175.14819	1.4
177.12813	5.5
179.14359	1.3
183.13832	16.8
185.13231	1.4
187.13304	3.7
187.14851	2.6
195.12288	1.2
195.13808	7.6
217.15929	1.2
227.16505	2.6
243.21153	1.2
261.22125	4.0
269.17438	4.6
275.20084	5.0
283.19037	2.8
285.16940	2.2
291.19525	3.0
293.21100	13.7
315.23077	1.3
317.24747	1.6
335.25949	1.4
349.23599	1.5
354.39554	1.0
361.03577	1.3
361.27222	2.1
363.25250	2.6
395.27866	1.3
434.35699	1.3
437.34058	1.7
485.36050	1.9
517.38928	25.8
525.36328	1.4
529.38922	10.8
543.36316	6.8
543.64844	1.3
561.24756	11.4
561.41803	87.2
562.42316	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	561.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.3
53.03951	5.7
55.01868	5.1
55.05511	26.7
57.03434	7.1
57.07061	2.7
59.04978	1.4
65.03943	5.8
67.05507	83.3
69.03404	3.2
69.07067	23.8
71.04995	41.6
71.08626	2.4
79.05495	66.4
80.05816	1.2
81.03416	8.0
81.07059	100.0
83.04976	11.3
83.08627	11.3
85.06540	6.1
91.05482	60.8
93.07044	68.1
95.04982	9.2
95.08608	43.5
97.06525	11.1
97.10171	6.7
99.08087	3.1
105.04517	2.4
105.07030	39.5
107.04932	3.2
107.07866	2.1
107.08599	40.5
109.06508	4.3
109.09472	1.5
109.10162	17.9
111.08073	5.4
115.05440	1.2
117.07018	12.9
119.08575	17.6
121.06511	2.5
121.09321	1.8
121.10146	25.6
121.11026	1.4
123.08047	2.6
123.11702	18.1
125.09635	4.9
128.06215	1.0
129.06987	3.7
130.61301	0.9
131.08572	17.6
133.10126	27.5
135.08054	1.8
135.11690	17.7
137.09666	1.8
143.08592	3.3
145.06488	1.2
145.10126	12.6
147.11694	9.0
149.09601	3.0
149.13278	11.5
151.11208	13.7
153.12799	1.4
155.08569	1.4
157.10114	4.0
159.08025	1.3
159.11696	12.6
161.13210	5.8
163.11172	2.9
163.14822	1.4
165.12743	1.6
169.10097	1.8
169.12238	1.8
171.11742	3.2
173.13298	5.0
175.14835	1.9
177.12772	5.6
179.14301	4.1
181.10278	1.0
183.11732	1.5
183.13835	13.6
185.13232	1.1
187.13289	2.5
189.11301	1.6
193.12164	1.3
195.13824	6.6
197.13356	1.1
199.14825	2.1
213.14740	1.3
217.90150	0.9
227.12796	3.2
227.16360	1.3
259.20639	1.5
261.22144	4.0
267.15930	7.0
269.17538	7.6
275.20074	8.5
277.21658	7.5
283.15512	1.2
283.18973	1.7
285.17029	3.4
291.19543	1.4
293.20926	1.9
299.23642	2.2
306.91284	1.0
317.24646	1.4
333.24124	1.6
335.25708	4.3
349.23660	2.5
349.27411	1.6
351.25497	2.1
361.27081	1.8
363.25421	2.9
437.34131	1.3
451.31940	1.9
469.32855	2.0
503.35754	1.1
517.31683	1.8
517.38885	21.4
525.35693	2.1
529.38782	11.0
543.36871	19.4
561.41748	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	560.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.1
57.03437	4.3
57.07083	28.9
59.04986	2.5
67.05513	55.7
69.07060	8.4
69.22414	7.3
69.22840	11.7
71.05002	15.6
71.08633	18.0
74.30792	1.9
79.05485	8.0
81.07057	17.4
83.04929	2.0
83.08633	9.8
85.06537	1.9
85.10182	10.1
87.04426	2.6
88.53674	1.9
91.05484	8.4
93.07034	10.8
95.08614	22.5
97.06538	2.0
97.10154	5.8
97.26579	2.1
105.06977	2.5
107.08607	5.1
109.10162	44.8
111.08085	3.8
118.66250	2.0
119.08546	6.1
121.10189	2.6
123.11740	3.2
133.10072	2.3
135.11685	3.5
137.09605	7.3
155.10674	2.5
169.12206	2.4
173.11732	5.3
239.23778	2.2
255.15881	3.0
287.18579	21.3
309.83218	2.1
313.27390	24.3
443.58966	2.2
449.78641	2.2
467.37354	100.0
481.38586	3.3
493.38934	4.3
525.41473	43.5
525.49066	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	561.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.3
53.03690	0.9
53.03944	6.5
53.10775	1.0
55.01861	4.9
55.05268	1.6
55.05513	24.7
57.03436	6.5
57.07061	3.2
61.20717	1.0
65.03918	3.6
67.05509	77.5
69.03426	2.3
69.07070	25.4
71.04997	30.0
71.08628	2.6
77.03949	1.1
79.05495	64.0
81.03439	6.0
81.07060	100.0
81.47699	1.0
83.04980	10.7
83.08620	15.0
84.76395	1.2
85.02912	1.1
85.06537	6.9
87.04460	1.4
91.05484	58.1
93.07048	67.2
95.04976	10.9
95.08611	48.7
97.06519	11.8
97.10179	7.7
98.21616	2.5
99.08070	4.3
100.59359	1.1
101.06020	1.2
103.05447	1.4
105.04501	1.7
105.07034	43.7
107.04948	5.3
107.08601	40.8
108.39053	1.2
109.06530	6.7
109.10154	21.0
111.08081	4.1
113.09688	1.3
115.05486	1.2
117.07017	15.8
119.07799	1.8
119.08582	22.0
121.06499	2.9
121.10148	22.4
123.08061	4.5
123.11696	10.8
125.09646	5.4
129.06987	5.9
131.08580	21.2
133.06499	1.2
133.10139	31.3
135.08064	3.1
135.11705	20.7
137.09590	3.1
137.13266	1.6
139.11090	1.2
141.07002	1.8
143.08553	4.5
145.10127	16.8
147.08029	1.9
147.11716	10.2
149.09628	3.8
149.13275	13.5
151.11183	10.2
155.08565	1.8
157.10121	5.3
159.08075	1.4
159.11705	11.8
161.13240	7.4
163.11191	13.1
163.14914	1.4
165.12749	2.6
169.10104	2.5
169.12274	1.8
171.11691	5.0
173.13326	5.3
175.14851	2.1
177.12767	5.0
179.14310	4.4
181.10127	1.6
181.12178	1.6
183.11697	1.6
183.13799	8.0
185.13318	2.9
187.13345	2.4
187.14839	3.2
189.11159	2.4
189.12715	1.5
191.10681	1.4
195.11972	1.1
195.13765	5.9
197.13174	1.6
199.14848	2.6
201.14772	1.2
209.13351	2.0
211.13220	2.1
227.12755	15.9
241.19565	3.0
243.21141	2.8
251.16757	1.2
253.14458	5.9
257.94556	1.0
259.20551	2.9
261.22122	5.6
267.15845	3.1
268.13965	1.2
269.17435	9.1
275.20053	12.1
277.21533	4.6
283.15372	6.3
283.18439	1.6
285.16992	2.4
289.21756	1.6
291.19559	5.4
293.21152	5.0
317.24780	3.7
333.24222	1.1
335.25751	16.2
349.23691	5.6
361.27286	1.5
363.25388	1.9
437.33936	1.3
449.49335	1.0
451.32220	2.2
455.34860	1.4
463.30429	4.3
469.32788	1.4
511.38220	2.2
517.38898	14.7
525.35785	2.9
529.31573	1.8
529.38910	21.7
543.36792	25.8
561.40637	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	559.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	10.0
55.01861	2.6
55.05516	24.4
57.03434	11.9
57.07085	4.2
65.03953	5.6
67.05508	82.3
69.07076	20.2
69.56757	11.3
71.04990	3.9
79.05495	93.7
80.55672	2.2
81.03420	8.4
81.07061	82.9
83.04997	12.5
83.08621	9.4
85.06538	3.0
91.05487	63.0
92.05808	1.9
93.07047	85.4
94.87936	2.1
95.04970	16.5
95.08612	56.1
97.06523	8.1
97.10168	6.4
101.35183	2.1
105.04512	3.2
105.07036	46.9
107.04970	6.2
107.08591	31.6
108.94447	1.8
109.06556	5.2
109.10159	20.5
110.64521	2.1
114.34422	1.9
117.07008	14.7
119.08588	26.9
121.10158	21.7
123.08083	7.3
123.11732	3.6
127.45387	1.9
128.31378	2.3
129.07013	16.3
131.08556	11.9
133.10126	18.6
134.76019	2.1
135.11700	11.5
135.55600	2.5
141.06956	2.4
143.08562	7.1
145.10107	16.3
147.11694	33.3
149.13284	8.2
159.11711	9.2
161.13295	15.5
163.14796	4.5
169.10155	2.5
171.11694	20.4
173.13307	3.9
177.12709	2.4
187.11255	2.4
187.14862	2.9
189.12753	8.5
201.16440	2.3
207.13797	28.8
243.20891	2.9
261.22202	10.7
279.15897	5.8
281.17477	58.1
317.24835	3.0
323.38443	2.5
335.22015	4.5
335.25806	59.0
342.57874	2.3
467.35208	2.4
485.35229	2.4
541.38904	100.0
559.40045	19.4
559.53735	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	559.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	1.7
53.03948	10.1
54.10255	1.6
55.01872	5.5
55.05517	28.7
55.26555	1.6
57.03437	11.5
57.07072	3.8
62.15623	1.6
65.03943	4.1
67.05508	99.3
68.45506	1.5
69.03420	3.0
69.07073	21.8
69.55679	1.8
70.68610	4.9
71.05013	3.3
73.06565	2.3
77.03903	2.7
79.05499	100.0
81.03410	9.4
81.07063	83.7
83.04988	17.8
83.08620	13.4
85.06529	5.8
91.05485	69.0
93.07050	97.7
95.04972	20.2
95.07989	2.9
95.08611	60.7
97.06509	8.4
97.10155	5.5
99.08068	3.1
103.00429	1.5
105.04544	4.5
105.07040	54.8
107.04967	5.5
107.08603	36.1
109.06537	7.7
109.10152	21.6
111.08079	4.5
115.05480	2.9
117.07038	14.4
119.07801	3.0
119.08591	34.0
121.06494	2.3
121.10152	21.1
123.08054	5.2
123.11716	4.9
125.09618	3.8
128.06250	4.0
129.07010	15.7
131.08586	16.7
133.06522	2.1
133.10146	16.9
135.08075	3.2
135.11697	14.9
141.07045	1.8
143.08574	14.0
145.10100	18.5
147.11699	42.3
149.09602	1.8
149.13252	4.9
155.08522	2.0
157.10092	3.2
159.11697	9.4
161.09642	5.8
161.13261	12.7
163.11086	2.1
163.14906	2.8
167.08598	1.8
167.12840	1.8
169.10085	2.2
171.11693	29.6
173.13258	7.1
175.14902	2.9
177.12772	2.6
183.11761	3.1
183.78307	1.6
185.13263	3.2
187.14854	4.6
189.12759	10.5
197.13329	2.5
207.13799	30.7
217.99609	1.8
241.56308	1.5
261.22150	14.7
275.19781	1.7
279.16034	3.1
281.17480	51.5
285.21951	2.1
317.24661	2.9
335.25809	69.7
356.09808	1.6
449.34329	3.3
456.75854	2.2
527.36987	4.3
529.39807	2.3
541.38953	88.8
542.39294	2.5
559.39081	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	559.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.7
55.01873	5.5
55.05516	29.6
57.03445	7.9
57.07071	3.6
60.29807	1.6
61.58889	1.3
65.03943	2.6
67.05510	57.3
69.03431	3.9
69.07069	24.4
71.04996	3.0
79.05495	48.8
81.03413	5.0
81.06581	3.0
81.07063	60.2
83.04983	5.7
83.08619	13.9
85.06552	3.7
91.05489	43.1
93.07051	50.0
95.04964	10.4
95.08610	39.4
97.02877	3.0
97.06536	6.0
97.10164	7.2
99.08139	1.5
105.04556	2.1
105.07038	38.4
107.04944	6.2
107.08604	23.9
109.06524	4.9
109.10169	13.4
111.08051	4.2
115.05467	3.6
117.07030	18.0
119.08590	27.7
121.06473	3.1
121.10161	17.5
123.08078	5.0
123.11723	3.4
125.02484	1.6
125.09610	3.6
128.06212	4.6
129.07030	17.6
131.08582	33.4
133.06541	3.1
133.10135	16.3
135.08047	3.0
135.11728	9.8
137.09576	1.9
141.07014	6.3
142.07751	3.8
143.08574	29.7
145.06470	2.0
145.10133	24.9
147.08116	2.2
147.11716	14.3
149.09636	4.2
149.13274	6.6
155.08586	12.8
157.10147	16.6
159.08075	2.1
159.11691	14.5
161.09677	4.0
161.13242	7.9
163.14854	2.4
166.86929	1.5
167.08577	3.7
169.10141	17.4
171.11679	17.3
173.09601	1.6
173.13269	8.4
175.14705	2.3
177.12811	2.3
181.10130	9.0
183.11768	9.1
185.13243	7.2
187.11275	2.7
187.14832	6.3
189.12779	2.7
189.16484	1.8
193.10168	2.7
195.11769	8.3
195.13364	1.8
197.13284	8.0
199.14757	7.7
201.12665	1.5
201.16348	2.8
205.12404	2.6
207.11803	2.8
207.13794	8.2
209.13310	5.4
211.14833	7.1
213.16451	5.6
215.17931	2.1
221.13286	2.2
223.13164	3.1
223.15025	2.6
225.16473	5.8
227.12558	1.8
227.18021	3.1
235.14891	1.9
237.16490	2.9
239.18121	2.5
241.19585	1.8
243.21135	5.6
255.17439	2.6
261.22049	8.1
263.17865	1.9
273.18506	4.6
279.15967	7.3
281.17432	13.2
287.19968	1.7
291.19470	17.4
297.22015	1.8
305.22784	1.7
311.23792	1.8
317.24597	2.2
325.25299	2.9
335.25864	10.7
355.26358	2.3
397.81238	2.1
421.34531	2.3
431.33121	7.8
437.34000	7.2
439.35373	3.3
449.34210	17.1
467.35117	11.9
485.36456	10.6
511.37439	4.7
515.37115	2.7
523.37805	10.8
529.38879	17.3
531.40167	2.3
541.38971	100.0
542.39264	2.2
559.23517	15.3
559.40350	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	559.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.4
51.18837	1.4
53.03946	9.3
55.01859	4.3
55.05272	1.8
55.05517	24.4
57.03442	10.4
57.07079	2.5
65.03934	5.0
67.05508	88.1
69.03416	2.2
69.07072	20.0
69.72984	1.5
70.16419	6.0
71.04996	2.7
77.03894	1.5
79.05498	100.0
81.03407	7.2
81.07062	84.4
81.43367	1.5
83.04992	15.7
83.08618	12.6
85.06532	4.4
91.05486	75.2
93.07049	97.4
95.04986	17.8
95.08611	56.2
97.06528	6.3
97.10162	7.2
98.20789	1.5
104.87238	1.7
105.04505	4.4
105.07037	55.6
107.04971	7.5
107.07902	1.8
107.08606	34.1
109.06513	6.0
109.10165	18.1
111.08065	4.1
115.05453	2.2
117.07031	13.1
119.08590	30.2
121.06499	5.4
121.10149	19.0
123.08045	6.3
123.11674	5.0
128.06206	3.8
129.07011	15.8
131.08562	14.5
133.10144	20.3
135.11697	14.8
137.09602	1.8
137.13229	2.1
141.09154	1.6
143.08583	9.8
145.10144	16.5
147.08017	3.5
147.11707	47.0
149.13252	6.7
155.08533	2.7
157.10127	3.1
158.91748	1.8
159.11693	6.7
161.09596	4.9
161.13284	12.6
161.48984	1.8
163.14810	1.8
169.10204	3.9
171.11685	27.7
173.13246	5.8
175.14857	1.7
187.11217	1.7
187.14909	2.7
189.12778	11.3
195.13821	2.8
205.02892	1.6
207.11920	2.2
207.13828	34.0
224.71887	1.5
225.14899	2.8
243.21121	3.2
257.11923	1.7
261.22269	11.0
279.15912	4.0
281.17480	64.8
291.19455	1.9
317.24728	2.9
335.25830	72.7
341.10132	1.8
449.33923	2.5
485.36801	2.5
512.81427	1.8
523.38263	1.7
541.38928	95.6
559.40515	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	559.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.8
55.01881	19.2
55.05516	34.8
57.03448	14.2
57.07068	3.7
59.04989	2.6
65.03941	5.0
67.05511	73.5
69.03416	6.4
69.07072	32.6
69.93427	8.2
70.59489	1.6
71.04990	9.1
79.05501	77.0
81.03425	37.9
81.07065	85.0
83.05009	11.8
83.08625	24.0
85.06528	5.6
91.04898	2.5
91.05488	77.9
93.07051	92.5
95.01345	2.1
95.04972	21.9
95.08614	70.0
96.43932	1.9
97.02895	7.4
97.06535	24.9
97.10180	11.5
98.21449	1.9
99.04474	4.6
105.04530	3.2
105.07040	81.7
107.04967	22.8
107.08601	59.7
109.06532	9.1
109.10158	19.2
111.04475	2.0
111.08088	3.9
113.05964	3.0
115.05445	3.6
117.07021	33.2
119.08591	69.0
121.06526	12.7
121.10152	37.3
123.08083	3.6
123.11694	4.8
125.05996	2.0
125.09616	5.9
128.06255	3.4
129.07031	15.8
130.07790	3.4
131.08575	36.4
133.06529	4.3
133.10149	51.0
135.08055	9.5
135.11707	61.3
137.09607	3.8
137.13283	2.2
139.07480	3.8
142.07870	3.3
143.08575	14.7
145.06557	2.8
145.10132	53.2
147.08028	4.8
147.11696	41.5
149.09636	11.2
149.13258	10.2
151.11145	5.9
155.08575	4.8
157.10123	15.0
159.11716	22.5
161.09659	2.4
161.13257	29.0
163.11209	63.3
163.14786	2.2
165.12735	2.9
169.10110	5.6
171.11697	12.1
173.09618	3.5
173.13304	13.3
175.11174	5.3
175.14868	19.2
177.12764	6.2
179.14355	3.8
181.12170	12.1
183.11705	3.8
185.13261	10.9
187.14828	4.0
189.11212	3.0
193.12201	6.3
197.13187	2.9
199.14827	4.8
201.12704	2.6
201.16405	2.8
209.13347	2.4
211.13205	4.4
213.16411	3.7
217.15944	2.1
227.12791	100.0
231.21104	4.7
237.84726	2.0
241.19524	33.6
257.18961	5.6
259.20599	70.2
267.15891	29.9
273.18454	5.8
275.20087	41.6
283.15399	54.9
291.19507	9.0
293.21112	5.7
297.22153	3.1
299.20209	3.8
315.23181	11.6
333.24255	82.3
349.23843	14.0
449.30246	5.0
467.31531	2.4
485.32593	2.7
541.35303	72.8
559.36371	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	559.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80673	2.1
53.03951	9.1
55.01640	3.0
55.01874	18.2
55.05513	55.4
56.40870	2.8
57.03434	11.6
57.07072	2.8
59.05006	4.8
65.03946	4.5
66.62665	2.0
67.05507	88.0
69.03439	9.0
69.07073	43.7
70.65308	7.3
71.05003	9.5
75.41581	2.0
79.05497	65.2
81.03418	62.8
81.07059	90.2
83.04996	10.7
83.08616	35.8
85.06573	2.6
90.76780	1.9
91.05481	70.7
93.07046	59.1
95.04974	29.3
95.08610	37.3
97.06524	16.9
97.10177	35.6
99.08124	4.9
103.05477	2.6
105.03397	2.5
105.07034	63.1
107.04958	24.5
107.08601	44.8
109.06535	17.8
109.10168	26.3
111.08116	8.6
115.05462	3.4
117.07027	27.0
119.04956	3.3
119.08584	40.7
121.06523	14.3
121.10152	16.2
123.04494	7.8
123.08097	6.6
123.11704	14.8
125.09639	32.2
128.06282	2.7
129.07016	20.1
130.07860	2.3
131.04936	2.7
131.08574	33.5
131.09521	2.6
133.06503	7.0
133.10146	33.8
135.04428	2.8
135.08063	13.9
135.11748	8.9
135.94788	2.3
137.05991	15.2
137.09650	8.1
141.07018	6.5
142.07718	2.1
143.08554	17.9
145.06499	14.0
145.10136	34.2
146.22324	2.3
147.04442	3.9
147.08105	9.9
147.11681	31.7
149.06009	3.6
149.09612	21.7
149.13297	2.7
151.07582	3.6
151.11218	5.5
153.05515	13.0
153.07080	2.0
153.09123	4.6
155.08621	9.1
157.06438	2.3
157.10132	22.3
157.11169	2.2
159.08133	7.9
159.11725	12.8
161.09668	5.3
161.13315	6.1
163.11134	11.1
165.12878	4.6
167.08546	2.5
168.09355	3.0
168.39877	1.9
169.10191	8.4
171.08028	5.3
171.10364	4.1
171.11659	14.1
173.09709	5.9
173.11879	3.9
173.13359	6.5
175.11246	10.1
177.12854	3.5
179.58559	2.4
181.10143	3.8
183.11786	7.4
185.13315	8.8
187.11285	7.7
187.14856	4.7
189.11238	22.1
189.12767	3.5
193.12202	19.9
195.11795	4.7
197.13403	5.5
199.14899	3.4
200.83125	2.4
201.12770	3.1
201.16504	2.6
205.12253	4.5
211.13362	4.1
213.12854	3.0
215.14316	2.5
219.13919	2.4
223.13123	3.0
225.12825	2.2
227.12762	26.1
245.15620	2.9
247.20514	2.8
249.15024	2.6
257.19119	8.3
267.15927	31.4
275.20096	48.9
281.19180	2.7
287.20193	3.9
293.21307	6.0
297.22070	5.9
299.19983	19.1
313.21677	6.5
315.19998	3.1
315.23102	10.5
317.21201	9.4
331.22717	3.1
349.23639	21.3
355.22723	4.6
373.23795	10.4
385.23685	3.1
397.23038	2.7
404.31750	2.8
421.31134	3.6
431.29501	4.4
445.30020	3.0
447.27551	6.8
449.30356	12.7
459.27512	5.1
461.29083	4.1
467.31528	20.5
483.09525	2.4
485.32742	10.1
523.34595	9.3
541.35278	98.5
559.29364	10.3
559.36530	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.05510	11.9
57.03434	10.8
57.07075	23.4
59.04987	1.3
65.03945	1.6
66.55991	1.3
67.05507	14.6
69.03423	3.1
69.07063	7.9
69.19734	14.1
70.06586	1.5
71.04988	2.4
71.08630	13.0
79.05494	10.4
81.03422	39.4
81.07056	19.7
83.04985	10.1
83.08623	22.8
85.02920	13.0
85.10179	7.3
89.06024	1.4
91.05470	13.4
93.07031	9.6
95.04976	16.3
95.08613	15.6
97.06579	1.8
97.10158	6.8
98.20804	3.1
105.07023	10.2
107.04943	3.6
107.08600	3.9
109.06559	1.7
109.10137	6.4
111.08061	5.0
117.07030	1.9
119.08601	8.5
121.10154	6.0
123.11695	3.4
125.09618	1.5
129.07004	4.5
131.08568	6.0
133.10143	4.3
137.09599	1.7
142.07822	2.0
147.08113	2.1
147.11688	8.1
149.09587	3.3
157.10130	6.9
165.12733	1.5
175.11221	7.5
193.12254	31.8
211.13286	50.2
239.23898	1.5
257.24655	1.6
267.15942	9.0
271.95087	1.3
284.26611	1.6
285.16986	39.5
285.26904	1.6
313.27374	57.0
505.38898	9.1
523.39954	100.0
558.45978	1.6
558.53809	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	559.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01884	5.6
57.03429	3.3
61.02932	2.1
63.46140	1.4
66.08852	1.1
68.99786	2.6
69.03131	1.4
69.03437	13.9
70.06585	3.3
71.04986	2.6
71.53578	1.9
73.02898	2.4
79.05501	1.5
81.03423	13.6
81.07031	1.9
85.02908	27.5
87.00835	15.5
87.04466	1.3
91.03967	1.2
91.05476	5.1
93.07025	1.2
94.04202	2.2
95.04954	2.7
97.02905	15.7
99.04487	6.2
103.03925	2.5
103.05461	2.5
105.01876	6.4
105.07035	5.0
107.04965	2.4
107.08635	1.9
109.02876	13.6
109.06528	3.1
111.04420	1.5
111.33585	1.2
115.03899	3.6
115.05479	3.1
117.07021	1.3
119.04932	3.1
119.08588	3.4
122.03689	3.1
127.03933	19.0
128.06227	1.6
129.01822	1.8
129.07004	2.1
131.04970	5.7
133.06454	3.8
137.05983	58.0
141.06998	6.4
144.05748	1.4
145.04947	7.3
145.06506	2.5
146.03575	2.3
146.13950	1.2
147.08044	2.8
149.05968	4.9
151.03941	9.3
151.07568	8.4
155.04942	4.2
156.05647	1.4
157.06557	1.4
159.02899	7.7
159.08105	2.4
160.05232	1.5
161.05988	12.4
163.07515	3.2
165.07014	2.2
169.06534	7.4
171.08118	1.7
175.07545	18.4
186.06807	2.6
187.07507	11.0
189.03934	2.2
189.05449	4.1
189.07062	2.3
189.08969	1.7
190.07802	4.0
191.07018	2.8
191.08575	16.5
197.05980	2.2
199.07555	10.8
201.09084	5.6
202.07809	2.8
203.06958	1.9
203.08591	3.4
205.06578	2.8
207.08109	1.5
208.08884	1.9
211.07570	4.1
213.09094	2.6
215.06879	1.8
215.08702	2.5
217.06445	1.7
217.08586	1.2
218.07297	4.8
219.08047	25.0
220.08786	3.4
223.11177	1.4
225.08931	1.5
229.08604	10.7
231.05028	3.6
231.08046	4.9
232.08719	1.6
233.09676	4.4
234.06712	1.6
235.07451	3.3
236.08292	9.4
237.09164	1.9
243.08072	6.9
244.08821	2.4
245.05942	1.7
245.09740	1.7
246.06702	2.8
247.07591	13.8
247.11201	1.4
248.08342	4.4
249.09122	4.2
249.12215	1.3
250.10014	1.8
251.06946	1.4
251.10681	29.7
253.08589	3.6
258.06601	1.3
259.07538	4.2
260.08322	5.9
261.09088	7.8
262.06003	1.3
263.07040	2.0
263.10773	1.7
264.07788	8.4
265.08578	5.9
265.12103	1.9
267.10229	1.4
271.07553	4.8
272.08322	5.4
273.09244	2.5
274.09662	1.2
275.10703	4.5
276.07828	1.6
277.08664	7.0
278.09436	2.9
279.07053	2.2
279.10162	33.3
280.10855	1.8
281.08060	5.9
281.11600	2.6
283.09659	1.8
285.09030	1.5
287.10504	1.6
288.07822	5.6
289.08600	7.4
290.09320	1.9
291.10114	7.6
293.08475	1.7
293.11746	4.5
294.08762	1.7
295.09726	2.8
296.10431	7.6
297.11261	4.6
301.08777	2.8
302.09464	1.6
303.10153	17.4
304.10950	1.4
305.11749	2.0
307.09622	1.7
307.13229	2.7
308.10349	2.1
309.11288	7.7
311.12796	100.0
315.10205	3.4
317.11713	2.2
320.10471	3.5
321.11157	10.9
323.12805	19.4
325.14374	2.6
326.09525	1.6
327.10159	3.1
333.11108	7.2
335.12802	20.4
337.14432	3.1
341.11414	2.3
345.11240	1.9
347.12714	4.5
353.13831	27.9
357.11398	1.4
359.12668	4.0
365.13943	2.9
369.11304	3.2
373.14304	2.9
377.13831	6.7
383.13074	1.5
401.13760	14.7
419.15012	7.5
437.15836	3.5
455.17148	1.5
473.17618	2.2
479.16827	1.7
483.18420	1.5
497.17856	2.8
505.14713	2.8
523.15729	8.7
541.17010	7.6
559.18085	6.6
559.31213	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	557.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.3
55.01877	3.2
55.05515	16.6
55.89412	1.1
57.03432	5.0
57.07089	2.2
65.03938	1.3
67.05510	33.0
69.07072	13.6
71.05001	2.4
71.21250	0.9
79.05501	33.6
79.13930	0.9
81.03442	1.5
81.07061	31.0
83.05004	3.4
83.08620	7.8
85.06573	1.7
86.89213	1.1
91.05482	26.5
93.07049	26.3
93.07636	1.6
95.04962	5.7
95.08612	19.5
95.09174	1.7
97.06560	4.1
97.10201	3.8
98.21502	3.0
99.08134	1.2
100.67226	1.0
105.07034	29.2
105.07671	1.8
107.04981	3.2
107.08614	15.9
109.06535	2.6
109.10167	9.2
111.08073	1.4
117.07011	13.9
119.08589	22.6
121.06544	2.4
121.10132	9.5
123.08121	3.8
123.11750	2.2
125.09656	1.6
128.06248	3.0
129.07018	15.2
130.07854	1.2
131.08578	23.1
131.09508	1.7
133.10136	16.8
133.11057	1.1
135.08064	1.3
135.11714	7.2
141.07002	5.3
142.07858	3.4
143.08577	20.7
145.06526	2.3
145.10129	21.4
145.11124	1.7
147.08095	1.8
147.11699	16.6
149.09601	1.3
149.13321	3.4
151.11301	1.4
154.07849	2.3
155.08577	15.9
156.09370	2.3
157.10143	16.8
159.08099	1.8
159.11710	16.2
161.09669	2.6
161.13257	8.3
163.11192	2.1
167.08591	7.8
168.09406	1.1
169.10144	18.4
171.08153	1.8
171.11711	19.2
173.09698	1.5
173.13245	7.8
173.14459	0.9
175.14922	5.5
177.12872	1.9
179.08626	2.6
181.10132	10.6
181.11429	1.0
182.10971	1.7
183.11705	16.3
185.09698	1.2
185.13257	12.6
187.11140	1.6
187.14914	4.4
189.12827	1.6
193.10242	2.6
195.11737	9.5
197.13254	11.4
197.14711	1.0
199.14861	8.1
201.16470	2.6
207.11832	3.8
207.13937	4.3
209.13264	7.4
211.14798	6.1
213.16388	5.7
219.11824	2.1
221.13390	3.4
222.74731	1.3
223.14755	5.7
225.16507	4.1
227.12904	2.9
231.17569	2.2
231.21158	1.9
233.13344	2.1
235.14925	2.6
237.16574	3.5
239.18102	3.0
241.19606	6.2
247.14922	1.4
257.19128	2.3
259.20630	9.4
265.19583	1.8
267.50980	1.2
275.20190	2.9
279.16129	3.1
281.17365	9.8
295.20709	2.0
297.22165	1.9
311.23764	1.2
313.21759	2.0
321.22247	2.2
323.23886	2.5
327.23535	1.3
333.24420	4.6
335.23819	2.0
337.25574	3.1
353.25095	2.9
363.26849	1.8
377.25195	1.2
419.33136	3.2
429.31845	4.8
437.34180	10.1
447.32571	22.0
447.38373	1.3
465.33762	23.7
483.34723	13.8
485.34656	1.3
493.37128	1.9
501.36057	3.6
503.35748	1.9
521.36206	9.2
529.38739	6.8
539.37366	100.0
540.38165	2.0
557.38568	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	557.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.9
53.03965	3.8
55.01873	3.6
55.05514	20.0
57.03439	6.1
57.07074	3.5
65.03956	3.3
67.05508	39.6
69.03442	2.4
69.07066	15.1
71.05008	3.9
79.05502	34.6
81.03413	6.5
81.07064	37.8
81.07520	2.3
83.04999	4.3
83.08624	11.3
85.06564	2.7
91.05492	34.0
93.07049	33.1
95.04963	6.1
95.08621	27.2
97.06561	4.4
97.10181	5.3
98.20724	2.4
99.08110	2.0
105.07042	32.8
107.04984	5.4
107.08608	15.8
107.09275	1.2
109.06525	3.7
109.10165	9.8
111.08131	2.1
113.06152	1.2
115.05525	1.4
117.07029	15.0
119.08591	30.1
121.06564	3.1
121.10148	9.7
123.08110	3.1
123.11750	1.4
125.09708	3.3
128.06284	4.3
129.07013	16.8
131.08589	26.4
133.10153	18.8
133.61649	1.0
135.08076	2.7
135.10760	1.9
135.11650	8.1
137.09634	1.5
141.06993	7.5
142.07880	4.3
143.08572	25.3
145.06522	3.1
145.10130	24.3
147.08157	2.4
147.11696	16.5
149.09685	3.1
149.13336	2.8
153.07095	2.0
155.08563	20.9
155.09695	1.6
156.09401	1.4
157.06609	1.5
157.10132	19.0
159.08060	1.9
159.11702	14.1
161.09720	3.0
161.13286	10.9
163.11212	2.7
164.13374	1.2
165.07033	1.7
167.07333	1.8
167.08524	7.1
168.09450	2.4
169.10153	18.3
169.11357	1.5
171.08109	2.4
171.11691	19.1
173.09796	1.0
173.13287	9.7
175.11311	2.2
175.14914	3.9
177.12819	1.7
179.08672	2.7
180.09425	2.3
181.10144	12.4
182.10960	2.8
183.11705	17.0
185.09641	1.4
185.13245	11.5
187.11255	2.7
187.14825	5.4
189.12868	2.7
193.10249	4.1
194.11076	1.6
195.11707	10.9
195.13460	1.6
197.09671	1.7
197.13283	10.7
199.11273	1.4
199.14799	9.0
201.16478	1.8
203.14503	1.6
207.11943	2.5
207.13943	3.7
209.13313	8.1
211.11562	1.1
211.14862	7.0
213.16449	5.7
215.18076	1.4
219.11813	1.5
221.13402	3.7
223.14861	7.2
225.16614	4.4
231.17641	1.3
231.21097	1.5
233.13371	3.3
235.14969	3.4
237.16483	3.8
239.18108	1.3
241.19452	5.8
247.14806	1.9
247.17154	1.6
249.16408	1.5
251.18091	1.9
257.19122	2.2
259.20590	12.4
263.17957	1.4
275.20386	2.1
279.16141	3.9
281.17371	8.8
285.22153	2.0
297.18933	1.3
297.22180	1.5
313.21899	2.7
313.25262	1.5
321.22162	2.0
323.23752	2.7
325.25665	1.3
327.23312	1.4
333.24466	5.0
335.23764	2.4
337.25488	2.2
349.25549	3.2
351.23340	1.4
353.24985	3.3
365.25528	1.1
419.33267	3.2
429.31766	4.3
437.34229	9.3
447.32675	17.4
465.33713	20.7
483.34747	15.7
501.35815	3.4
511.38171	2.0
521.36377	7.7
527.38049	3.2
529.39056	8.9
539.37439	100.0
557.38654	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18240	1.1
53.03943	4.1
54.85967	1.0
55.01877	3.4
55.05512	15.5
57.03440	6.6
57.07072	3.1
62.09510	1.1
65.03928	1.4
66.17319	0.9
66.88996	1.1
67.05507	33.7
69.07072	11.2
71.04993	1.8
71.08626	1.1
72.08168	1.4
73.06580	1.1
77.46796	0.9
79.05497	28.8
81.03411	2.3
81.07063	32.8
83.04975	3.5
83.08630	8.3
85.06529	1.7
91.05486	31.0
93.07050	33.7
95.04976	5.9
95.08619	22.0
97.06561	2.2
97.10177	3.8
98.21503	2.5
99.08106	1.4
105.07041	31.8
107.04962	3.6
107.08611	16.5
109.06538	4.2
109.10169	8.7
111.08098	2.2
111.43951	1.1
115.05461	2.2
117.07019	14.6
119.08585	24.9
121.10145	8.4
123.08073	2.5
123.11737	1.2
125.09643	2.1
128.06247	3.1
129.07014	12.5
130.07790	1.5
131.08582	22.8
132.74217	1.0
133.06520	1.3
133.10141	13.6
135.08061	1.5
135.11705	6.7
137.09674	1.5
141.07011	5.2
142.07796	4.5
143.08568	18.9
143.09679	1.4
144.09322	1.6
145.10132	20.0
147.08153	1.4
147.11691	16.8
149.09599	1.4
149.13263	3.1
154.07788	1.4
155.08553	18.0
156.09270	1.5
157.10144	18.1
159.11703	11.9
161.09673	2.0
161.13278	9.4
163.11224	2.3
163.14812	1.9
167.08615	7.3
168.09422	2.5
169.10146	18.3
171.08008	1.5
171.11711	17.5
173.09637	1.5
173.13281	10.8
175.11214	1.3
175.14850	3.9
177.12688	1.2
179.08620	3.0
181.10147	10.6
183.11707	16.4
185.09805	1.2
185.13295	12.9
187.11226	2.1
187.14867	5.3
189.12791	2.1
193.10136	3.8
194.10838	1.4
195.11705	11.7
197.13307	11.8
199.14856	6.8
201.16582	1.8
205.10155	1.1
207.11749	3.4
207.13864	4.7
209.13284	6.6
211.14790	7.6
213.16364	6.4
221.13309	2.9
223.14905	8.2
225.16486	2.9
227.18094	1.4
233.13266	1.1
235.14861	3.3
237.16412	4.2
239.17995	1.7
241.19481	5.2
247.14748	1.2
249.16359	1.2
251.17947	1.7
257.19131	1.9
259.20584	12.0
261.16272	1.3
261.22418	1.0
263.18021	1.3
279.16031	4.1
279.20956	1.2
281.17401	10.3
283.20529	1.5
285.18506	1.2
285.21912	1.2
295.20560	1.7
297.22354	1.1
299.20425	1.1
309.22122	1.5
313.21671	1.4
315.23273	1.3
321.21985	2.0
323.23651	1.9
325.21783	1.9
325.25320	1.9
333.24265	5.4
335.23590	2.8
339.23340	2.0
341.24707	1.7
349.25333	2.2
353.24896	2.6
363.26892	1.3
367.26456	1.3
379.26846	1.4
419.33264	2.9
429.31522	5.4
437.34341	10.0
447.32626	21.2
465.33621	20.4
483.34796	17.6
501.35471	2.9
503.35013	1.7
511.37921	3.1
521.36267	7.4
527.37183	2.3
529.38916	5.7
539.37341	100.0
557.38458	49.7
557.51697	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01876	2.6
55.05261	1.4
55.05514	17.1
57.03435	3.7
57.07071	2.3
60.16971	0.8
65.03942	2.0
67.05509	33.2
69.03455	0.9
69.07076	11.8
70.69132	1.7
71.04998	2.0
71.08578	0.8
79.05496	28.2
81.03426	2.3
81.06583	1.5
81.07063	29.9
83.04970	2.0
83.08628	6.3
85.06546	2.9
91.04912	1.1
91.05488	26.8
93.07053	27.9
95.04996	4.4
95.08612	20.3
97.06540	3.0
97.10173	4.3
99.08096	0.8
105.04508	0.8
105.07041	29.6
107.04955	3.8
107.08598	13.7
109.06528	3.3
109.10165	9.0
111.08129	2.3
115.05482	2.4
116.06245	1.2
117.07035	13.5
119.08589	23.7
121.06531	1.3
121.10149	10.6
123.08104	3.1
123.11722	1.8
125.09634	1.5
128.06241	3.3
129.07010	16.8
130.07799	1.8
131.08575	22.2
133.06528	1.1
133.10143	15.3
135.08066	2.2
135.11711	5.5
137.09651	0.9
139.11189	0.9
141.06998	5.9
142.07822	3.7
143.08578	17.5
145.06512	2.9
145.10138	20.7
147.08081	2.6
147.11703	16.6
147.12782	1.1
147.71042	0.7
149.09657	1.3
149.13266	2.4
151.11200	1.5
154.07770	1.6
155.08560	16.4
156.09355	1.6
157.10146	17.9
159.08093	1.5
159.11713	12.2
161.09653	1.8
161.13223	9.2
163.11160	1.5
163.14981	0.9
165.06966	1.7
167.08568	5.9
168.09442	1.8
169.10149	20.0
169.11584	1.4
170.10881	1.0
171.11702	18.8
173.09666	1.3
173.13275	10.7
175.11171	1.3
175.14813	4.5
177.12775	1.9
179.08578	2.3
181.10127	11.5
182.10934	1.9
183.11699	14.7
183.13211	1.0
185.09645	1.7
185.11678	1.2
185.13257	12.3
187.11200	2.3
187.13339	1.0
187.14767	3.7
189.12805	2.6
193.10168	2.8
194.10925	1.0
195.11700	10.6
197.13266	10.7
199.11215	1.0
199.13165	1.2
199.14815	7.2
201.16420	1.9
205.10051	1.1
207.11743	3.2
207.13860	4.9
209.13278	7.5
211.14861	7.8
213.12822	1.3
213.16405	6.4
219.17538	1.0
221.13295	3.2
223.14876	5.3
225.16487	4.0
227.17876	0.9
231.17564	1.1
231.21190	1.6
235.14909	2.6
237.16484	2.6
239.18071	1.9
241.19551	6.0
247.17029	2.2
249.16368	1.5
249.18640	0.9
251.18025	1.9
257.19070	2.1
259.20602	12.5
261.16379	1.5
261.22275	1.0
265.19589	1.3
271.20740	0.9
275.20209	1.4
279.15894	3.7
279.21320	1.3
281.17514	8.5
283.20856	0.9
285.22131	1.0
287.20099	1.0
297.18747	1.0
297.22067	1.9
299.23639	1.2
311.20001	1.0
313.21594	1.5
321.22162	2.5
323.23853	2.2
325.21759	1.4
325.25204	1.0
327.23245	1.0
333.24313	4.7
335.23871	2.6
337.25110	1.5
339.23291	1.8
341.24576	1.0
349.25366	2.2
353.24860	2.0
365.24899	0.9
379.26349	0.9
419.33240	2.5
429.31464	4.7
437.34274	8.0
447.32550	21.3
455.35254	1.5
465.33768	21.1
483.34769	13.8
485.34738	1.2
493.36893	1.5
501.35785	3.3
503.35248	1.1
509.36179	1.3
511.38168	2.3
521.36285	6.6
527.37561	2.3
529.39160	5.2
539.37341	100.0
540.37494	1.3
557.38428	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	557.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.8
51.24979	0.8
53.03951	3.9
55.01864	2.9
55.05268	1.3
55.05518	19.1
57.03444	5.1
57.07074	2.6
65.03939	2.6
67.05510	37.8
69.03416	1.1
69.06727	1.0
69.07076	13.6
69.98471	3.3
71.04991	3.0
75.04482	1.0
77.03940	1.1
79.05500	33.3
81.03437	4.5
81.07066	38.0
83.04997	4.7
83.08627	10.0
83.96167	0.7
85.02882	0.9
85.06556	2.2
91.05491	32.6
93.07053	33.4
95.04968	6.4
95.08611	26.2
97.06527	3.8
97.10165	4.9
97.82499	0.7
98.20823	1.2
99.08080	1.1
103.05482	0.9
105.07041	31.1
107.04976	4.3
107.08601	15.8
109.06538	2.9
109.10170	10.4
111.08019	1.2
112.38718	0.6
115.05482	2.0
116.40772	0.8
117.07030	14.0
119.08592	26.7
121.06519	1.8
121.10144	11.3
121.30905	0.7
123.08084	2.6
123.11710	2.7
125.09650	2.3
128.06239	3.7
129.07013	16.8
130.07759	1.6
131.07591	1.7
131.08574	26.0
131.09535	1.6
133.06531	0.9
133.10143	16.6
135.08064	2.6
135.11699	8.1
137.06001	0.8
137.09644	2.2
141.06982	6.7
142.07776	2.9
143.08578	21.0
144.09328	1.2
145.06482	3.2
145.10141	22.3
147.08078	3.1
147.11707	14.9
147.12805	1.2
149.09665	1.6
149.13283	3.9
151.11148	1.1
153.07079	1.2
154.07791	2.1
155.08572	17.9
156.09334	1.9
157.10146	19.3
159.08098	2.1
159.11697	14.7
161.09618	2.9
161.13283	11.4
163.11211	2.7
163.14873	1.5
165.07028	1.3
167.08588	7.5
168.09354	2.4
169.10144	17.8
170.10873	1.2
171.08118	1.0
171.11702	21.0
173.09654	1.8
173.13278	10.5
175.11252	1.4
175.14839	6.0
177.12799	1.2
179.08598	2.8
180.09378	1.9
181.10147	10.5
182.11006	2.1
183.11700	15.1
184.12625	1.0
185.09686	1.1
185.13272	13.8
187.11244	3.0
187.14810	4.9
189.12790	2.3
189.16516	0.8
192.09215	0.8
193.10193	3.8
194.10986	1.3
195.11728	11.1
196.12437	1.4
197.13293	12.2
199.11232	1.2
199.14836	7.1
201.12904	1.0
201.16388	2.0
205.10175	1.7
207.11754	3.5
207.13896	3.9
209.13284	8.5
211.14870	6.5
213.12868	0.9
213.16432	6.9
215.14342	1.2
215.17938	0.9
219.11720	1.7
221.13293	4.7
221.15152	0.8
223.13043	0.9
223.14935	5.7
225.16441	3.2
227.12608	1.0
227.18059	0.9
229.19563	0.8
231.17560	1.3
231.21124	1.3
233.13306	1.9
235.14856	2.7
237.12788	1.2
237.16479	3.1
239.18011	2.6
241.19531	6.4
243.21024	0.9
245.18903	1.0
245.63074	0.8
247.14888	1.9
247.17050	1.6
249.16350	1.6
249.18669	0.9
251.18192	1.5
253.19737	1.2
255.17371	0.9
257.19003	1.8
259.20627	10.9
261.22299	0.8
263.17880	1.4
265.19876	1.0
267.17569	0.9
267.20856	0.7
271.20782	1.1
273.18741	0.9
279.15857	4.2
281.17487	10.5
283.20752	1.3
285.18576	1.4
285.21927	1.2
287.20227	1.1
295.20624	0.8
295.24216	1.1
297.18851	1.3
297.22296	2.1
299.20151	1.0
299.23648	1.5
307.20578	1.7
309.22260	1.5
311.20239	1.4
311.23773	1.4
313.21573	1.8
315.23410	1.5
321.22253	1.8
323.23724	2.5
325.21869	1.1
327.23334	1.0
333.24435	4.7
335.23785	3.0
337.25485	1.8
339.23285	1.5
341.24921	1.6
349.25504	1.3
353.24753	2.8
365.24973	1.1
367.26514	1.5
373.25385	1.1
405.27747	1.1
419.33435	2.8
429.31491	5.6
437.34247	10.7
447.26495	1.4
447.32632	21.6
465.33789	23.5
483.34756	15.8
485.34521	0.9
501.35629	3.6
503.35013	1.9
509.36243	1.2
511.37903	2.2
521.36188	8.5
527.37354	2.8
529.38861	7.2
539.37390	100.0
540.37769	1.5
557.38593	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73098	0.7
52.31948	0.7
52.53876	0.7
53.03946	2.9
53.70218	0.7
55.01876	7.6
55.05267	1.2
55.05515	18.1
57.03436	4.9
57.07078	0.9
59.05007	1.0
59.70421	0.7
65.03943	2.1
65.06667	0.8
67.05510	29.2
69.03429	5.5
69.06719	1.5
69.07072	15.8
69.86664	3.4
71.04994	2.1
79.05495	26.8
81.03422	31.6
81.07063	22.9
83.04986	3.5
83.08621	13.4
85.06544	1.3
91.05485	23.0
93.07056	19.9
95.04980	16.5
95.08611	12.1
97.02887	5.6
97.06544	4.5
97.10179	13.2
103.05493	1.0
105.07038	17.8
107.04961	10.0
107.08598	14.0
109.06525	6.7
109.10164	9.7
111.04451	1.5
111.08066	4.2
115.05446	2.0
116.06292	0.8
117.07023	9.2
119.04940	2.3
119.08591	13.2
121.06522	7.1
121.10138	7.2
123.08082	3.7
123.11689	1.3
125.09625	10.8
128.06239	1.9
129.07014	7.4
130.07832	1.0
131.04953	1.2
131.08572	11.2
133.06488	5.0
133.10121	7.9
135.08018	4.1
135.11720	3.5
137.06024	3.5
137.09662	2.5
141.07077	2.3
142.07849	2.2
143.08568	5.0
145.06526	3.6
145.10159	9.8
147.08057	5.0
147.11693	5.6
149.09616	4.6
149.13235	0.8
151.11247	1.7
153.09145	1.9
155.08571	2.8
157.06506	1.1
157.10150	6.7
159.08090	2.7
159.11693	4.7
161.09665	2.8
161.13245	1.3
163.11217	3.7
163.69641	0.9
167.08629	1.9
169.10149	2.8
171.08142	1.2
171.10297	1.1
171.11714	2.7
173.09734	2.6
173.13318	2.0
175.11172	4.1
177.12741	2.3
181.10196	1.6
183.11804	2.2
185.09634	1.3
185.13248	1.4
187.11250	1.6
189.09695	1.0
189.11200	6.1
191.10846	0.8
193.12218	8.0
195.11754	0.9
197.13310	1.0
199.11217	1.0
201.12726	2.4
203.10680	1.0
205.12183	1.7
219.13808	7.7
223.13255	8.1
227.12709	8.5
236.85114	0.8
249.14973	2.4
253.14360	3.2
257.19122	1.0
259.16974	1.2
263.16537	0.9
265.14520	1.1
267.15967	3.2
273.18521	8.8
275.20154	3.5
287.20007	1.9
291.19559	36.6
295.20609	1.1
297.18472	1.1
313.21625	7.6
328.24518	0.9
329.21262	1.3
333.20819	0.9
341.21182	0.8
347.22040	1.6
365.23032	1.0
367.22699	0.9
397.22559	0.9
431.24646	0.8
445.25717	4.6
447.28818	3.1
459.27328	2.0
465.29990	4.4
483.31210	5.6
539.33624	19.4
557.34796	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.5301
Annotation	N-(palmitoyl)-phytoceramide
Peak:m/z	Relative Intensity
55.05515	2.3
57.03413	0.8
57.07079	11.3
58.06577	1.1
64.93752	0.3
67.05507	2.2
68.05009	0.4
69.06735	0.3
69.07066	3.6
69.27576	0.2
69.27891	2.8
70.06596	12.5
71.08635	6.7
72.08168	1.4
73.02885	1.1
79.05476	0.8
81.03404	0.9
81.07065	3.3
83.08617	3.2
84.08118	1.2
85.02878	0.7
85.06516	0.4
85.10184	3.3
86.09692	2.0
87.04446	0.6
88.00177	0.3
88.07095	0.5
88.07630	6.7
89.06038	2.8
91.05441	0.9
93.07006	1.0
95.04939	0.5
95.08614	3.1
97.06489	0.4
97.10168	1.7
102.09186	3.3
104.14951	0.3
105.07035	0.8
107.08575	0.8
109.10124	1.3
114.09135	0.4
119.08586	0.6
121.10133	0.3
131.08594	0.3
132.10213	5.7
133.08565	1.0
135.11740	0.5
137.13179	0.3
145.10179	0.3
146.11751	5.6
157.10098	0.5
177.11285	0.4
193.12288	0.8
211.13274	1.5
212.23755	1.2
228.23232	0.7
238.25304	0.9
256.26361	12.0
267.15872	0.5
272.25842	2.0
283.26321	43.8
285.16800	1.4
298.40143	0.3
300.28983	24.1
311.25797	2.6
311.29483	3.8
318.30038	1.7
371.22766	1.0
494.49359	0.7
503.36765	0.3
521.38422	4.1
538.51874	0.5
556.53003	100.0
557.53522	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65211	0.8
56.96575	2.2
58.99872	1.4
59.51539	0.7
65.67731	0.7
69.03440	3.0
70.99873	0.7
71.52108	1.1
77.00900	1.0
81.03432	1.5
82.99809	4.7
85.01433	0.9
85.02894	4.8
86.49040	0.7
91.05503	0.9
97.02918	2.8
98.97050	0.9
98.97579	4.9
99.04498	0.8
101.00884	26.4
103.02432	0.9
104.14148	0.8
109.01392	1.7
109.02907	3.0
110.97559	1.1
113.00854	7.3
115.02438	2.2
116.98636	1.8
117.04037	1.8
119.01929	41.9
119.04934	1.8
127.02432	11.3
127.03938	3.0
128.98604	1.7
129.00345	1.5
129.04021	1.5
131.01923	19.5
133.03485	2.0
135.05066	1.0
137.02974	3.3
139.02437	2.7
141.03958	4.0
143.01907	37.1
143.05406	0.7
145.03481	52.1
147.01385	2.4
147.04317	7.4
148.04771	1.0
149.02971	1.4
153.04002	2.2
155.01904	23.1
157.03474	12.0
158.99646	1.6
159.05046	14.9
161.02972	37.2
163.04585	6.3
167.01900	13.6
168.05148	1.4
169.03473	49.2
170.99948	1.6
171.01421	4.9
171.05020	13.1
173.02975	31.4
173.06555	1.0
174.99303	0.9
175.04610	4.0
177.00775	1.7
177.05692	1.4
179.01921	6.1
179.03481	0.8
179.04016	0.8
181.03453	8.3
183.05077	2.4
184.04593	1.7
185.02966	56.3
186.03189	0.8
187.04535	66.9
189.00833	1.3
189.02458	12.0
189.04160	1.4
189.06102	2.3
191.03917	1.6
193.03493	1.2
195.01389	1.5
195.05063	1.0
197.02968	21.8
197.06616	1.5
199.04529	12.0
201.00763	2.3
201.02475	1.1
201.06137	2.7
203.04025	17.0
205.05568	0.9
207.03545	2.5
208.04883	0.8
209.03009	2.4
210.06157	2.2
211.04535	13.5
213.02448	13.3
213.06087	2.6
215.00546	1.6
215.04021	18.0
217.05653	1.6
219.01776	2.5
221.03009	1.6
221.05144	4.6
223.04587	3.9
225.02467	5.1
225.06058	0.9
227.04022	11.4
227.07570	0.9
229.05669	4.3
231.03508	22.9
233.01350	1.6
233.05121	2.1
235.04710	1.2
235.06830	1.2
237.02647	2.1
239.04025	2.1
241.05544	1.2
243.03737	4.2
245.05092	100.0
246.05281	1.8
247.04926	1.0
251.02307	1.0
253.05490	1.3
253.07806	0.9
255.03511	1.8
257.01401	5.5
257.05093	6.5
261.02844	2.6
261.08182	0.8
263.06161	13.8
264.07654	0.8
271.06656	12.7
272.06775	0.9
273.04590	3.0
273.08167	0.8
275.02502	48.9
275.06107	43.0
277.07724	1.0
287.02496	16.7
287.06107	5.1
289.07608	1.3
293.03546	9.2
293.07144	7.7
295.08731	1.3
297.04587	2.4
301.11148	1.0
303.05402	1.1
305.03543	16.9
305.07196	14.1
315.05579	4.5
316.05252	1.0
316.08823	0.9
317.03574	1.8
317.07077	2.1
319.08713	1.0
333.06699	2.5
335.04581	18.5
335.08243	7.7
341.03458	3.3
347.08167	1.4
347.12024	1.4
356.22427	0.8
359.04599	16.1
363.07449	1.3
365.09283	13.8
365.13364	1.2
377.05569	41.3
377.09070	3.0
395.06705	67.1
395.77695	1.0
399.07947	0.9
521.09912	1.1
539.10706	7.3
557.11865	32.6
578.23724	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24819	0.8
53.03944	1.1
54.61062	0.8
55.01875	2.2
55.05515	10.4
57.03445	7.5
57.07082	35.3
59.80804	0.8
65.36546	0.9
66.84847	0.8
67.05509	13.9
69.03426	1.0
69.07070	10.4
69.30181	7.3
70.06599	9.6
71.04998	2.3
71.08637	23.3
72.08175	1.0
73.02902	1.3
79.05495	14.3
81.03413	1.1
81.07062	16.9
83.04982	3.0
83.08618	10.3
84.08134	1.2
85.10190	12.7
85.13364	0.9
88.07626	4.3
89.06036	9.0
90.40956	0.8
91.05502	4.6
93.07051	23.7
95.04977	3.9
95.08615	37.1
97.02901	2.6
97.06527	3.2
97.10172	5.2
99.04460	2.5
99.11720	1.5
102.09177	2.5
105.07024	3.8
107.04960	6.1
107.08607	17.7
109.06529	1.4
109.10168	6.6
111.04453	1.5
117.07042	5.5
119.08610	5.2
121.06542	4.0
121.10161	8.8
123.11690	3.0
125.05991	1.6
132.10222	3.6
133.08612	2.5
133.10168	2.5
133.60449	0.8
135.08046	2.1
135.11707	36.2
137.13203	1.1
139.07565	1.1
145.10136	19.5
146.11778	2.6
163.11192	45.7
173.09715	0.9
177.11221	1.5
181.12254	7.9
209.11644	0.9
227.12798	68.4
229.20226	0.9
237.02139	0.8
239.23633	2.0
256.26370	7.9
257.24808	1.7
272.25830	2.0
283.15421	78.2
283.26312	30.6
300.29022	11.9
311.29541	2.6
313.27383	100.0
318.30206	1.1
371.22906	2.9
378.77518	1.2
521.38434	76.2
522.38562	1.1
556.53033	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	556.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01880	2.8
55.05515	15.5
56.56374	1.5
57.03447	12.7
59.05001	3.7
65.03928	2.7
67.05510	100.0
69.07077	15.6
71.05006	3.9
71.53314	1.6
73.39731	1.4
79.05499	26.4
81.03443	3.0
81.07065	38.2
83.04980	5.5
83.08630	9.8
85.06546	3.6
91.05491	27.7
93.07046	27.9
95.04978	8.2
95.08613	19.6
97.06548	6.9
97.10190	2.0
105.07040	16.6
107.04958	3.8
107.08607	16.9
109.06506	3.7
109.10167	72.3
111.08086	6.2
117.07062	9.2
119.08585	17.1
120.94180	1.5
121.06456	2.1
121.10129	7.3
123.08068	2.7
125.09661	2.9
129.07091	2.7
131.08574	11.0
133.10152	11.0
135.08093	2.3
135.11710	6.6
137.09619	6.5
143.08629	2.4
145.10132	8.0
147.11682	5.9
149.09612	7.3
149.13264	4.4
151.92162	1.4
155.10703	4.1
157.10193	2.4
159.11703	8.7
161.13306	3.5
163.11143	4.1
171.11638	2.5
173.11778	17.3
177.09137	1.5
177.12759	2.6
179.14340	2.1
195.13927	2.4
197.13287	2.2
204.81424	1.8
227.12788	2.7
229.14377	54.3
229.19467	2.3
255.15953	4.3
257.19049	6.1
269.17474	8.8
275.20050	18.9
293.20914	2.2
298.53882	1.7
349.23572	13.0
367.24695	2.2
409.25900	19.9
423.27441	72.4
503.33838	11.2
521.34943	3.5
538.36755	1.5
556.37518	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	556.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.7
52.40268	1.8
53.03938	3.1
55.01883	3.8
55.05520	15.4
57.03443	8.2
57.07079	4.9
59.05009	4.6
65.03938	1.6
67.05508	100.0
68.05831	2.3
69.03447	1.6
69.07079	13.7
71.02849	3.8
71.04994	4.5
71.08632	8.6
79.05500	27.8
80.05807	2.0
81.03435	2.3
81.07060	29.8
83.04977	4.0
83.08595	10.2
85.06550	4.0
89.06036	4.3
91.05487	30.9
92.05787	2.5
93.07047	29.7
95.04973	5.2
95.08620	19.1
96.08929	1.9
97.06542	4.6
97.10159	3.5
99.08092	4.8
105.07040	24.3
106.07362	2.4
107.04976	3.3
107.08607	16.2
109.06567	4.4
109.10165	63.7
111.08073	4.7
117.07033	9.1
119.08593	22.2
120.08924	1.8
121.06538	4.9
121.10164	6.5
123.08063	3.7
125.09609	3.5
128.06241	2.3
129.06966	4.7
131.08607	10.2
133.08611	3.2
133.10129	15.2
135.11705	6.4
137.09639	6.7
143.08592	4.1
145.10135	5.7
146.10416	2.6
147.11703	12.2
149.09648	2.6
149.13300	3.5
155.08534	3.0
155.10654	4.0
157.10101	2.5
159.11694	8.0
161.13260	2.7
163.11192	2.5
171.11751	2.6
173.11736	23.5
173.13184	3.1
177.11346	1.9
177.12798	3.2
184.04814	1.6
185.13228	1.8
197.13290	1.9
199.14735	1.8
227.12804	3.8
229.14378	51.7
229.16597	3.5
233.15582	1.9
241.19466	3.8
257.19046	4.0
258.19449	2.2
259.20660	10.3
275.20068	13.6
276.20493	5.5
283.26419	4.4
293.21118	45.8
300.28943	2.2
333.24286	9.7
349.23737	3.1
355.86859	1.7
367.24738	13.0
423.27408	20.4
439.26678	2.0
487.34128	2.7
493.19043	1.8
521.34497	19.3
543.05133	1.8
556.37146	16.5
556.52795	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	556.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.3
55.05512	12.0
57.03439	2.8
57.07095	2.6
59.44370	3.6
67.05511	21.8
69.07072	20.6
72.63003	2.4
79.05488	6.3
81.07047	18.2
83.04945	3.0
83.08614	8.9
91.05486	5.1
93.07054	10.7
95.04939	2.8
95.08626	17.0
97.10172	10.0
105.07043	6.4
107.08610	7.2
109.10174	8.2
111.11690	3.6
117.03407	10.1
119.08564	6.2
121.10158	7.5
123.08158	2.8
133.10178	7.4
135.11716	2.8
137.06070	3.5
145.02859	40.8
147.11652	5.3
149.06003	4.5
165.36130	2.5
177.05496	100.0
217.19478	2.7
235.20636	5.1
250.30110	2.7
253.21732	3.7
309.24365	3.5
314.65384	2.8
327.25314	54.6
502.13297	2.9
503.30026	7.3
521.31079	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	555.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53378	1.1
51.02364	2.3
53.03948	8.4
55.01873	22.1
55.05512	23.2
57.03445	5.9
57.07076	11.6
59.05025	1.4
65.03932	4.2
67.05505	60.9
69.03440	2.2
69.07069	33.3
71.04996	2.5
71.08634	7.4
73.06522	1.1
79.05494	66.6
81.03419	15.7
81.07059	69.1
83.04984	13.3
83.08618	11.2
85.06516	2.3
85.10179	4.1
89.05927	1.1
91.05483	70.6
93.07046	52.1
95.01325	10.1
95.04970	18.6
95.08609	44.1
97.06536	42.1
97.10168	5.1
97.58499	1.1
98.21450	2.3
98.98469	27.6
98.99117	1.3
99.08138	1.3
103.05491	2.7
105.04507	2.9
105.07034	73.2
107.04958	27.7
107.08595	23.4
107.53671	1.0
109.02866	2.6
109.06526	7.0
109.10152	16.7
110.10509	1.0
111.04464	1.1
111.08082	3.9
111.11725	1.4
113.09605	2.1
115.05497	2.4
116.06230	1.3
117.07014	17.5
119.08580	42.6
121.06514	5.4
121.10148	10.1
123.04419	1.6
123.08090	5.9
123.11748	3.4
125.09631	3.1
128.06241	2.8
129.07024	11.9
131.08574	23.2
133.06529	1.6
133.10144	36.1
135.08055	4.1
135.11688	6.5
137.09602	3.5
138.44196	0.9
139.07585	2.3
141.06979	2.9
143.08582	9.4
144.09322	1.2
145.06505	1.5
145.10124	19.8
146.10655	1.1
147.08012	2.3
147.11699	28.3
149.09634	9.4
149.13287	3.8
151.11191	2.1
155.01047	42.2
155.08615	1.6
156.09297	1.5
157.10130	3.7
159.11693	13.4
161.09654	3.6
161.13257	12.9
163.11209	5.6
165.09058	2.8
169.10110	3.8
171.11678	14.2
173.13281	4.4
175.14862	1.6
177.12769	4.8
179.14313	17.0
183.11687	3.7
185.13252	2.2
187.11205	3.4
189.12738	5.4
197.13258	1.0
205.12271	2.3
207.13773	9.7
219.17296	1.2
223.13330	3.1
229.14287	2.7
229.19542	2.6
230.14708	3.0
239.17940	1.3
239.23672	3.7
241.14305	1.1
247.20595	2.7
257.18991	8.6
259.20422	2.2
263.16553	2.4
275.20068	100.0
279.15842	8.3
281.17532	3.1
291.19702	4.7
292.19977	5.8
293.18118	1.5
293.21130	10.0
313.27341	28.6
317.06351	3.8
331.22922	1.3
349.23880	3.5
366.23413	3.0
392.68365	1.1
393.24045	3.6
401.29080	1.9
411.14258	1.6
425.16299	2.8
426.17053	2.3
439.13873	5.0
440.18610	2.4
441.19385	7.7
453.15509	6.8
454.16101	2.8
468.17978	4.0
469.18640	1.3
520.33539	5.2
537.28296	2.0
537.36090	2.8
555.22974	28.2
555.36792	83.2
556.22668	1.3
556.37036	1.5
561.13092	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.05516	24.6
57.03432	7.4
57.07079	12.5
67.05509	10.5
67.05794	1.8
69.06729	2.1
69.07071	27.0
69.24677	8.1
69.25109	8.5
71.05011	2.5
71.08631	8.1
79.05492	13.9
81.07062	17.7
83.04938	2.3
83.08628	25.1
85.10172	3.0
89.06004	3.8
91.05497	4.4
93.07052	21.9
95.04971	3.1
95.08606	25.2
97.02911	2.4
97.06534	3.6
97.10173	19.2
103.04605	1.8
105.07022	7.9
107.04955	5.5
107.08591	17.7
109.10163	3.0
111.08061	3.1
111.11716	4.6
117.07037	6.3
119.08572	5.4
121.06503	4.0
121.10146	12.4
133.10069	2.9
135.08139	1.9
135.11707	37.1
145.10129	19.8
163.11192	35.7
181.12228	6.5
227.12794	49.2
237.22301	2.1
283.15381	38.8
311.25812	95.8
380.18930	2.0
479.24564	2.0
519.36841	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.7
53.03952	9.7
55.01876	19.7
55.05513	22.1
57.03435	2.1
65.03936	4.4
65.51395	1.4
67.05508	60.5
67.05875	2.9
69.06724	2.1
69.07072	29.9
69.16959	6.5
69.17402	7.4
71.04989	4.0
76.82533	1.2
77.03923	1.5
79.05496	63.4
81.03419	12.4
81.07060	63.5
83.04982	12.6
83.08623	10.7
85.06552	3.7
91.05483	74.5
93.07048	50.3
95.01333	10.2
95.04966	19.3
95.08608	39.7
95.09126	1.1
97.05919	2.5
97.06538	44.9
97.10169	5.2
97.19350	1.3
99.08149	1.7
103.05447	1.9
105.04503	3.5
105.07035	70.6
107.04959	22.4
107.08599	18.6
109.06518	7.2
109.10163	11.7
111.08075	2.7
115.05470	1.8
117.07027	18.8
117.08724	1.3
119.08581	38.7
121.06510	4.5
121.10162	11.6
123.04424	2.6
123.08087	6.9
123.11713	1.5
125.09618	2.8
125.90741	1.2
128.06236	3.1
129.06999	12.1
131.08583	20.9
133.06479	1.7
133.10135	36.8
133.11104	3.0
135.08040	3.3
135.11705	8.3
137.09621	3.4
139.07516	1.6
141.07025	1.9
143.08562	8.7
145.06479	3.1
145.10127	19.8
147.08052	1.8
147.11699	30.3
149.09612	7.2
149.13257	3.8
151.11221	2.7
155.08577	2.7
157.10106	5.9
159.11693	14.5
161.09653	2.8
161.13264	12.0
163.11197	6.8
165.09152	1.9
167.08482	1.5
169.10165	2.2
171.11691	16.4
173.13280	4.3
177.12775	3.2
179.14328	17.8
183.11745	3.6
185.13226	1.3
187.11156	3.3
189.12773	5.5
195.13814	1.5
197.13173	2.7
199.14719	1.7
202.87137	1.3
205.12221	1.8
207.13821	10.7
219.17470	3.9
233.74733	1.6
239.17896	2.0
241.14409	1.9
247.20506	2.7
257.18973	7.7
259.20526	4.7
262.77292	1.3
263.16342	1.6
275.20078	100.0
279.16000	7.9
281.17651	1.4
281.39117	1.4
283.40350	1.2
293.21100	10.0
331.22891	1.5
349.23801	5.0
481.32803	1.6
537.36090	4.4
555.36743	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	554.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.05514	5.4
57.03424	2.1
62.45338	0.7
64.66803	0.6
65.03923	1.3
67.05508	23.4
69.07076	4.9
69.26728	0.7
69.53362	2.5
69.53795	2.8
71.04969	0.8
79.05058	1.1
79.05493	10.5
81.07060	23.9
83.08616	3.9
85.06533	0.8
89.03933	4.6
91.05476	8.2
93.07059	13.6
95.04922	0.9
95.08607	20.9
97.06522	3.0
97.10162	2.2
98.21474	1.5
99.08147	1.1
105.07024	5.0
107.08617	7.2
109.10147	10.0
111.08083	2.2
117.03384	14.4
117.07018	1.9
119.08593	3.5
120.35576	0.7
121.10150	12.0
123.11690	3.0
131.08565	3.8
131.82317	0.8
133.10146	9.7
134.03572	1.2
135.11708	10.4
137.09631	1.6
137.13258	1.0
145.02856	43.1
145.10115	1.9
147.11674	2.1
149.06003	7.1
149.13277	3.2
151.11205	2.4
159.11658	1.7
163.03873	1.9
173.13336	1.5
177.05481	100.0
186.05470	2.3
187.14876	1.2
195.06535	6.6
205.19569	0.9
215.17955	8.8
217.19518	1.1
233.19028	8.7
235.20595	2.9
251.09106	2.4
251.20024	7.6
289.21573	2.4
307.22638	6.1
325.23746	46.4
343.24808	0.9
360.70853	0.9
501.28461	2.7
519.29608	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	554.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03623	0.7
55.01863	0.9
55.05506	5.1
57.03428	2.1
61.02931	2.0
67.05499	3.7
69.03432	6.2
69.07071	9.1
69.58546	4.6
70.06602	1.4
71.04994	2.1
73.02920	1.7
76.05901	0.8
79.05499	3.5
81.03405	2.2
81.07061	11.9
83.04958	0.8
83.08627	6.1
85.02907	18.5
85.06542	2.8
86.09712	1.6
87.04461	1.5
91.03961	0.8
91.05483	3.7
93.07043	10.3
94.07407	0.8
95.04955	1.7
95.08611	24.0
97.02893	8.4
97.10196	4.2
99.08099	6.7
105.07008	4.5
107.04919	0.7
107.08598	25.5
109.02902	1.8
109.06511	1.2
109.10168	7.2
111.08085	6.3
115.03922	2.7
119.08562	2.4
121.10149	45.2
123.08079	3.3
123.11695	1.8
125.09654	3.8
127.03940	4.8
127.11208	0.8
133.04996	0.9
135.08002	0.7
135.11693	8.9
137.06021	1.8
137.13231	6.6
143.54851	0.9
145.04964	7.7
145.10123	1.1
147.11653	2.7
149.13255	4.0
151.07539	1.5
161.13319	1.8
163.06039	3.5
177.16389	100.0
178.16635	1.1
179.14294	3.3
189.12779	2.1
195.15630	1.3
195.17453	22.4
207.13794	6.9
213.18497	40.0
225.14851	15.6
230.14601	0.9
243.15912	7.6
313.11694	1.0
314.12158	1.6
325.11356	1.5
330.21484	1.1
373.13498	1.1
374.14328	3.1
375.23615	1.4
481.34964	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2985
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
55.05503	1.1
56.61067	0.4
65.01554	0.4
67.05494	1.6
69.26643	2.1
69.27070	2.1
79.05503	1.0
81.03444	0.7
81.07077	1.1
83.01080	1.2
83.08565	0.6
91.05470	1.1
93.07040	0.7
95.01118	0.6
95.04967	0.8
109.10173	0.9
119.08598	0.8
133.03534	0.5
139.03670	0.5
185.04242	1.7
198.10255	0.4
198.94904	0.5
201.03806	0.8
203.05295	1.8
231.68533	0.5
259.07956	2.0
317.19727	1.3
331.10135	2.1
344.57660	0.5
357.06754	0.5
373.14838	0.5
415.19400	0.9
441.21124	0.6
483.22430	2.2
535.28400	0.8
553.29889	100.0
554.30096	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77095	1.7
53.03949	3.5
55.05511	13.2
57.07081	9.5
65.03922	3.4
67.05511	24.3
69.07076	18.9
70.86800	2.2
71.08638	4.2
71.54601	2.4
79.05497	19.9
81.07062	34.5
83.08624	7.1
84.79539	2.0
91.05492	34.4
93.07053	48.7
95.04962	3.6
95.08613	46.1
95.09174	3.8
97.10201	2.5
103.05457	3.4
105.04556	2.6
105.07037	57.7
107.08607	51.7
109.10162	43.4
116.06334	1.9
117.07031	16.8
119.08592	100.0
121.10154	42.3
123.08102	3.0
123.11739	14.9
128.06215	3.3
129.07021	10.4
130.07797	6.0
131.08588	28.4
133.10149	54.2
135.11703	38.3
137.09627	2.6
137.13237	2.2
141.06999	3.6
142.07793	10.7
143.08565	20.4
144.09332	4.6
145.10132	60.9
147.11693	19.7
148.33859	2.0
149.09622	3.3
149.13272	6.2
155.08553	7.6
156.09364	8.8
157.10146	33.8
158.10944	3.7
159.11694	32.7
161.09636	2.0
161.13268	10.5
165.07019	2.8
167.08583	3.7
168.09427	2.5
169.10167	15.9
170.10922	5.9
171.11710	25.0
173.13266	21.4
175.14824	38.4
179.08578	5.5
181.10120	6.1
182.10928	5.8
183.11703	15.7
185.13293	12.3
186.13824	2.7
187.14813	15.2
189.16455	2.6
193.10117	4.5
194.10876	3.3
195.11761	11.5
196.12299	5.0
197.13264	19.0
199.14818	8.4
201.16414	13.2
207.11668	6.5
209.13249	15.1
211.14877	8.9
213.16286	4.5
219.11787	2.8
219.17566	2.4
221.13315	6.9
223.14822	8.3
225.16386	4.0
227.17915	3.3
233.13347	3.5
235.14873	4.8
237.16589	4.5
239.17923	4.1
241.19511	2.5
247.14870	3.1
249.16469	2.9
251.17862	3.2
253.19600	4.0
261.16470	2.0
263.18048	3.4
265.19568	2.7
267.21097	5.6
273.16354	2.6
275.17911	3.0
277.19608	3.2
279.21277	2.5
283.20593	3.3
285.22147	4.6
298.78067	2.2
323.23694	2.8
327.07816	5.0
345.25732	4.4
400.64941	2.4
429.31525	3.5
495.26617	3.4
495.35959	2.9
533.41266	6.2
551.34155	3.7
551.42505	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	551.425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05130	3.1
53.03955	4.7
55.05509	20.3
57.07068	13.3
59.74585	3.0
65.03963	3.8
67.05505	34.7
68.18480	2.9
69.07062	17.2
69.94907	13.6
71.04987	2.8
79.05508	24.2
79.18058	3.0
81.07054	45.9
83.08611	8.5
91.05492	42.2
93.07049	51.2
93.83638	3.0
95.04997	4.7
95.08617	50.8
98.20796	3.6
98.36050	2.9
103.05453	2.9
105.06388	5.9
105.07036	64.0
107.08604	61.7
109.06495	4.4
109.10162	47.8
113.13752	3.1
116.06185	3.4
117.07034	17.8
119.08586	100.0
121.10150	48.5
123.11720	14.8
128.06213	7.5
129.06949	7.7
130.07800	5.7
131.08548	31.6
133.10135	58.1
135.11688	30.4
135.31799	3.0
141.06952	4.4
142.07790	16.3
143.08591	26.4
144.09402	6.4
145.10133	67.2
147.11728	21.1
149.13258	5.4
155.08507	9.6
156.09402	9.3
157.09123	3.8
157.10162	37.6
158.10898	8.1
159.11697	35.1
161.13254	11.3
165.06985	7.1
167.08525	4.3
169.10120	15.9
171.11702	21.8
173.13220	22.9
175.14853	36.7
179.08556	7.6
181.10126	7.2
183.11713	18.8
184.12448	4.6
185.13266	14.6
187.14906	14.8
193.10187	4.4
194.11063	4.3
195.11711	13.7
196.12466	4.4
197.13258	18.8
199.14813	10.6
201.16391	13.9
206.10950	4.5
207.11713	7.6
209.13226	16.2
211.14792	12.0
213.16418	6.7
215.17932	3.2
219.17400	4.9
221.13255	6.2
223.14798	11.0
225.16582	5.1
233.13258	4.6
235.14934	6.0
237.16417	8.7
239.17879	5.0
241.19588	4.2
251.17969	4.2
257.18964	3.5
261.16507	4.7
265.19437	4.9
267.21091	5.8
275.18182	4.9
285.22009	5.1
289.19388	3.7
429.31403	4.1
507.48022	3.4
551.42511	43.3
551.50055	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	551.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01867	3.0
58.48477	0.7
67.05520	0.8
69.03430	1.2
69.07072	1.1
69.45906	4.3
70.06594	3.5
77.03897	1.3
79.05502	10.0
81.07039	2.0
83.04970	0.9
84.04439	0.8
85.02916	3.6
86.09689	1.2
89.03907	1.2
91.05492	5.9
93.07054	1.8
95.04953	2.2
95.08591	1.7
97.02877	1.9
98.20703	1.2
99.04423	1.2
103.05476	21.9
105.03392	0.8
105.07039	69.4
107.04945	1.4
107.08605	1.8
109.02887	0.8
109.10178	0.8
111.08079	2.7
115.05462	17.4
117.06987	1.0
118.04160	9.3
119.04941	2.7
119.08594	1.3
120.08015	0.8
121.10155	0.8
125.09660	0.9
127.03923	1.3
131.04935	12.2
131.08551	0.7
132.05664	0.8
133.02759	0.9
133.06502	60.1
135.08069	1.9
135.11694	1.0
137.06003	3.9
143.04996	1.1
143.06017	6.3
144.36333	0.7
146.03688	0.9
147.04430	3.8
148.05194	7.5
151.07600	0.8
161.05989	100.0
163.07547	12.4
167.07089	1.2
173.05991	1.3
176.04704	1.2
179.07021	2.0
181.05049	0.8
191.07042	66.7
193.08623	46.0
209.15364	1.0
227.16423	1.4
303.04907	1.0
335.22186	1.5
348.46814	0.8
353.23395	1.3
388.23135	1.8
389.23697	5.2
491.15567	1.0
551.18683	2.3
551.29010	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	551.4252
Annotation	(3'Z,5'Z)-Celaxanthin
Peak:m/z	Relative Intensity
51.02370	1.1
53.03942	2.6
55.01877	1.1
55.05515	11.5
57.06863	0.6
57.07082	7.1
65.03933	2.4
67.05507	24.6
69.06727	1.0
69.07075	17.3
71.04995	0.8
71.08624	1.2
71.45850	0.9
79.05500	20.2
79.36754	0.8
81.07066	37.8
83.04959	1.1
83.08627	8.2
85.06547	2.2
91.05486	31.6
93.07053	50.3
95.04973	3.3
95.08614	39.7
97.06525	1.0
97.10183	1.3
103.05504	4.2
105.04539	2.2
105.07039	66.3
107.08602	49.9
109.06541	1.8
109.10165	39.9
111.08072	1.3
115.05466	2.9
116.06279	1.0
117.07030	15.5
119.08590	100.0
121.10155	49.4
122.10487	1.0
123.08087	2.6
123.11722	13.5
125.09634	1.1
128.06232	5.7
129.07005	10.8
130.07813	6.6
131.08578	29.2
132.08937	1.3
133.10138	55.3
135.08049	1.6
135.11700	38.5
137.09621	2.9
137.13255	1.2
139.11192	1.4
141.06981	4.6
142.07796	12.5
143.08572	21.3
144.09361	5.8
145.10132	66.2
146.10533	1.0
147.11700	20.6
149.09627	3.2
149.13283	5.2
151.11247	0.9
151.14871	0.9
153.07047	2.3
154.07753	1.0
155.08559	9.6
156.09364	8.6
157.10138	35.9
158.10950	6.7
159.11702	36.2
160.12477	1.3
161.13261	12.8
163.11148	3.8
163.14857	2.1
165.06984	2.4
166.07886	1.0
167.08569	5.4
168.09344	3.2
169.10139	16.1
170.10933	5.4
171.11700	22.7
172.12392	2.2
173.13271	22.2
174.13702	1.2
175.13300	1.9
175.14833	37.6
177.16479	1.9
179.08588	5.1
180.09348	2.9
181.10146	8.2
182.10921	5.8
183.11699	16.6
184.12474	2.6
185.13264	14.9
186.13962	1.5
187.14827	14.6
189.12753	0.7
189.16376	1.5
191.14417	1.0
192.09370	1.4
193.10112	6.0
193.16006	2.7
194.10915	5.3
195.11716	12.3
196.12468	3.3
197.13258	18.3
197.15025	1.3
198.14070	1.3
199.14876	9.3
201.16389	14.9
203.14357	1.7
203.18073	1.3
205.10216	1.3
205.15955	2.1
206.10928	2.8
207.11691	5.9
208.12483	3.4
209.13303	14.6
210.13957	2.5
211.14862	12.8
213.16313	6.0
215.18019	1.4
217.15942	2.1
219.11758	2.2
219.17508	4.9
220.12529	1.9
221.13309	7.6
222.13995	2.2
223.14844	11.7
225.16420	5.7
227.14340	0.8
227.17958	3.0
229.15913	1.2
231.11763	1.8
232.12477	0.9
233.13289	3.3
233.19118	1.0
235.14824	5.6
237.16368	4.7
239.17990	4.1
241.19499	4.4
245.13361	1.4
246.14185	1.5
247.14854	3.3
249.16501	3.0
251.18025	3.0
253.19626	3.9
255.21019	0.9
257.18976	1.4
259.14941	1.7
259.20636	2.3
260.15533	0.8
261.16412	3.5
263.18063	2.3
265.19485	4.7
267.21048	5.8
271.20663	1.3
273.16516	1.1
275.17975	3.4
276.18658	1.4
277.19623	3.1
279.21106	2.5
283.20819	1.2
285.22183	3.5
287.18094	1.5
289.19574	3.1
291.21158	2.6
293.22601	1.0
295.20670	0.8
297.22198	1.1
299.23941	0.9
301.19684	0.8
303.20895	1.6
305.22681	1.5
311.18008	0.9
319.24176	2.0
331.24365	1.5
333.25739	1.5
337.25296	1.3
341.80566	0.9
343.24261	1.5
345.25833	3.1
349.25397	2.3
357.25806	1.0
359.27441	1.3
397.29135	1.1
398.29666	1.5
411.30545	1.4
429.31815	2.8
443.33350	0.9
459.36163	3.2
495.36365	2.9
533.41589	3.1
551.27637	1.2
551.42493	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82570	3.8
55.01874	8.5
55.05526	22.0
57.03445	23.0
57.07072	7.1
67.05177	6.5
67.05510	86.6
68.05835	3.6
69.07069	30.3
71.04983	4.2
71.53976	4.4
74.11239	4.0
79.05497	59.4
80.05841	3.7
81.03424	7.7
81.07063	64.9
83.04987	19.3
83.05418	4.5
83.08601	13.8
84.67663	4.0
91.05485	29.8
93.07050	72.4
95.04993	7.8
95.08614	53.9
97.06532	14.4
97.10178	12.8
99.08102	4.6
105.07046	13.9
107.08587	39.8
109.10177	20.6
111.08098	7.9
117.07043	8.5
119.08604	22.0
121.10173	16.3
123.11727	8.4
125.09665	4.7
131.08559	12.1
133.10127	10.8
135.11697	61.9
145.10132	15.7
147.11722	4.9
153.12756	11.2
159.11746	3.9
161.13261	4.3
163.11247	8.6
173.13287	4.7
175.14796	4.5
181.12218	16.6
184.08809	4.5
253.14360	6.1
255.15915	100.0
261.22177	11.8
317.24634	4.5
329.89932	3.8
335.22028	7.3
335.25806	83.2
392.05035	4.0
427.77731	4.1
515.30396	6.6
515.37335	78.2
532.40491	5.2
550.41101	14.0
550.48993	5.8
550.62909	6.0
559.34650	4.4
562.39410	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	551.1035
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.65469	0.1
51.40576	0.2
53.03949	1.8
55.01877	1.5
57.03447	1.2
61.02936	1.0
68.99803	1.4
69.03435	6.5
69.07047	0.2
70.88062	0.4
71.01361	0.2
71.04994	1.0
73.02923	1.7
76.02232	0.2
78.02685	0.1
81.03422	8.4
83.01343	0.3
84.04519	0.2
84.08131	0.2
85.02911	11.9
87.00839	5.3
91.03955	0.5
93.03401	0.4
93.07027	0.2
95.04971	0.4
97.02895	3.9
99.04451	2.2
99.08091	0.2
105.01874	3.0
105.07047	0.2
109.02888	6.7
111.00790	0.8
116.01662	0.3
117.01872	1.4
121.02883	1.0
123.04452	0.3
127.03926	9.4
129.01852	0.7
137.02350	2.6
137.06010	0.2
145.04984	3.3
145.06258	0.4
147.02902	0.6
149.02359	0.3
153.01846	3.0
158.02754	0.3
159.02908	4.4
161.05980	0.6
162.73944	0.2
163.03918	0.7
165.01860	1.8
166.02634	0.2
173.06029	0.4
183.02907	0.6
183.04395	0.3
187.03867	0.2
195.02908	0.4
201.05496	1.6
207.02901	0.2
213.03992	0.3
219.06494	0.2
229.02882	0.1
229.04965	4.1
231.05016	1.5
247.06047	0.7
257.04489	2.5
274.04709	0.7
275.05481	0.2
285.03873	1.1
303.05008	100.0
304.05325	0.7
342.24817	0.2
345.06094	0.5
364.87943	0.2
369.06320	0.2
404.19467	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.01888	0.4
55.05505	0.7
57.03434	1.4
61.02932	4.4
64.99375	0.3
67.05521	2.1
68.05042	1.2
69.03438	2.0
69.05825	0.5
70.06596	52.2
71.04996	1.2
71.53731	0.3
73.02920	2.7
79.05505	1.4
81.03407	0.8
81.07067	1.5
82.06606	0.6
83.04984	1.2
84.08146	0.5
85.02908	4.9
86.06067	0.6
87.04488	0.7
91.03962	2.6
91.05491	1.4
93.07076	1.7
95.04993	0.9
95.08602	1.0
96.08157	0.7
97.02894	3.5
98.06079	0.6
99.04472	1.2
101.02389	0.7
105.07062	1.3
107.04983	1.0
107.08607	1.1
109.02880	0.4
109.10189	0.8
111.04449	2.2
111.08101	0.7
117.07006	0.6
119.08653	0.5
120.08092	0.3
121.10146	1.6
124.07635	0.4
127.03940	1.7
131.08580	1.0
133.06541	0.7
135.08099	0.4
135.11722	1.3
137.06010	1.2
138.06444	0.4
140.07091	0.9
142.08627	3.6
145.10121	1.7
146.03696	0.6
147.11734	0.5
149.09669	1.1
151.11095	0.4
153.12785	0.9
161.06104	0.8
162.63490	0.3
163.11221	1.6
167.07089	0.4
175.11314	0.4
178.06302	1.1
181.12314	1.9
190.15871	0.4
191.10748	1.1
193.08665	1.4
208.17073	0.4
209.11687	0.6
226.17999	0.6
227.12819	1.3
236.16386	2.4
254.17523	7.0
278.17612	0.8
296.18607	5.7
302.07449	0.5
310.20212	0.4
314.19614	4.3
328.21176	9.6
370.22272	10.8
388.23306	100.0
389.23566	0.8
532.27618	1.2
550.28601	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87291	0.7
53.03959	1.1
55.01876	5.8
55.05523	5.0
57.03437	1.2
57.07060	0.7
58.99592	7.7
67.05511	3.9
69.03436	2.0
69.07080	2.9
70.06597	4.1
70.79868	1.4
71.05004	1.7
72.04514	3.9
74.00672	1.5
76.02238	38.1
77.09677	0.7
79.05506	6.0
80.05013	0.8
81.03429	16.2
81.07077	4.8
83.04990	4.6
83.08619	5.8
84.04514	14.7
85.02892	0.8
86.99063	1.7
88.02248	1.6
90.05566	28.2
91.05488	5.8
92.01701	0.9
93.07053	2.6
95.04985	5.8
95.08624	2.3
97.02882	0.9
97.06542	2.1
97.10210	1.5
99.05614	0.9
100.02207	1.2
104.01708	6.1
105.07043	3.2
107.04988	0.9
107.08615	1.6
109.06589	0.9
111.08076	1.5
114.03732	0.9
115.07604	2.0
116.01707	13.0
119.08601	3.4
121.10159	1.5
123.08081	0.8
125.04245	0.7
126.05528	3.1
127.05047	5.6
129.06999	2.0
130.03287	2.1
130.05016	9.5
131.08569	2.0
133.10109	1.7
137.05937	1.0
141.04887	1.0
141.06598	1.6
141.62753	0.9
142.03256	6.6
144.06552	2.3
145.06125	2.1
145.10223	0.8
146.02724	1.0
147.05942	0.9
147.07988	0.8
147.11722	1.8
149.09637	1.4
157.10190	2.4
158.02733	52.4
159.07690	2.8
165.12698	1.1
175.05412	9.6
175.11208	3.8
176.03778	21.6
185.03842	1.6
187.05350	2.8
191.04883	9.2
193.06453	100.0
193.12254	11.4
211.13332	19.2
215.04892	4.0
233.05943	13.7
233.08064	1.4
241.06532	2.4
259.07535	2.1
268.13617	1.0
276.16104	0.8
302.07779	1.3
304.09616	3.1
320.08905	1.5
322.10709	72.7
385.18024	1.0
388.23560	0.9
403.19156	0.8
514.21582	0.9
532.23303	2.5
576.67505	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01882	5.3
55.05503	3.3
58.99582	7.6
67.05525	4.5
69.03429	1.2
69.07056	3.5
70.64763	2.5
71.04975	0.9
72.04510	4.0
74.00677	1.4
76.02236	37.9
79.05507	4.3
81.03423	15.0
81.07044	3.9
83.04971	4.2
83.08632	4.9
84.04513	12.5
84.46250	1.0
85.02908	1.5
86.99049	1.1
88.02224	2.2
90.05563	22.7
91.05486	5.3
93.07051	2.4
95.04980	6.4
95.08607	1.0
97.06516	3.4
98.80053	1.0
100.02197	1.1
104.01710	5.2
105.07012	3.6
107.04981	1.3
107.08600	1.2
109.06510	1.3
111.08089	2.2
115.07536	1.4
116.01691	12.1
119.08569	2.7
121.10190	1.7
124.93793	0.9
126.05518	1.8
127.05035	2.0
129.06982	1.4
130.03259	1.5
130.05020	9.0
131.08557	2.6
133.10123	2.5
137.05887	0.9
141.06616	2.9
142.03215	4.0
142.80809	1.0
144.06567	2.0
147.11679	2.5
149.09607	1.5
157.10167	3.0
158.02730	49.7
159.07681	3.6
170.02681	1.8
175.05391	11.9
175.11208	3.2
176.03786	19.4
177.52806	0.8
187.05394	2.2
191.04892	5.6
191.96346	0.9
193.06445	100.0
193.12263	11.2
209.05919	1.3
211.13324	16.1
215.04866	3.7
231.04347	1.0
233.05927	14.0
259.07452	1.9
286.14737	1.4
302.07693	1.0
304.09537	2.2
320.09006	1.2
322.10706	74.6
403.19174	4.1
532.23596	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03402	0.2
67.05471	0.0
69.03390	0.2
73.02880	0.2
79.05460	0.1
97.02885	0.1
100.46523	0.1
101.78624	0.1
115.03940	0.1
133.06497	0.8
135.04393	0.1
153.01820	1.0
154.67313	0.1
159.04381	0.1
240.25920	0.1
242.05739	11.9
270.05237	10.7
285.07578	100.0
286.07980	0.5
301.07181	0.1
357.15057	0.1
417.11810	0.4
515.92224	0.1
549.15918	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60661	0.4
53.03940	1.3
53.86783	0.3
55.05514	0.5
57.03428	0.9
61.02918	1.0
61.32318	0.4
63.60865	0.3
67.05483	0.8
69.03436	5.6
69.07059	0.7
71.04990	1.5
71.32355	0.8
73.02915	0.6
74.42908	0.4
81.03426	3.8
81.07068	0.9
85.02912	6.0
85.03391	0.7
86.02424	0.4
86.09755	0.4
87.00831	2.3
91.05477	0.6
93.07041	0.8
95.04959	0.7
95.08587	0.5
97.02901	10.1
99.04450	1.9
105.01859	1.2
105.07023	0.9
107.04971	0.5
109.02895	2.1
109.10213	0.8
110.55259	0.3
119.08592	0.7
119.60976	0.4
121.06508	0.5
127.03919	3.9
130.61681	0.4
135.04454	2.0
137.02353	0.4
137.05975	1.7
139.03932	2.8
145.04973	4.3
145.10034	0.4
153.01828	2.7
161.06023	1.0
165.01840	1.4
177.05499	0.9
183.02881	1.0
211.45706	0.4
213.05437	0.5
229.04979	1.1
230.05753	2.8
231.04950	0.5
238.30293	0.4
244.09758	0.4
257.04468	0.8
258.05234	4.6
269.04578	0.8
272.07111	0.5
281.34805	0.4
284.06824	0.8
285.07281	1.6
286.04697	3.7
286.07751	1.2
299.09076	1.4
300.09470	1.6
301.07083	100.0
302.07770	0.4
339.11868	0.4
548.31622	1.2
549.29480	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1243
Annotation	Luteolin 4'-methyl ether 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03939	0.8
55.01860	0.7
55.05506	0.2
57.03424	0.5
57.07567	0.2
58.99549	0.2
59.32119	0.2
61.02917	0.7
67.01850	0.2
67.05482	0.4
68.99788	0.6
69.03084	0.2
69.03432	3.1
69.07068	0.2
69.30049	1.2
69.30460	0.4
71.04972	0.5
73.02911	0.6
78.26094	0.2
78.26549	0.2
79.05476	0.5
81.03418	2.7
81.07035	0.5
83.08632	0.2
85.02433	0.3
85.02911	4.9
85.06527	0.2
87.00835	1.9
90.63339	0.2
91.03937	0.3
91.05483	0.5
93.07034	0.5
95.04969	0.2
95.08614	0.5
97.02895	1.9
99.04472	1.1
103.05502	0.2
105.01871	1.2
105.03376	0.5
105.07038	0.3
107.04961	0.9
107.08552	0.5
109.02204	0.3
109.02886	2.8
109.10169	0.2
111.04424	0.4
117.01855	0.4
119.08578	0.4
121.10128	0.3
123.04428	0.6
123.90772	0.2
125.02264	0.2
127.03920	3.9
129.01833	0.5
133.06450	0.3
135.04388	0.5
137.02409	0.2
137.05975	0.7
137.09601	0.2
139.03893	0.3
145.04990	1.0
147.02795	0.3
147.04399	0.3
147.07996	0.4
149.02405	0.3
157.25787	0.2
157.28395	0.2
159.02876	1.2
159.11705	0.3
161.02362	2.1
161.05984	0.6
163.03938	1.3
167.03406	7.8
167.07010	0.4
171.04437	0.7
175.03867	0.6
175.07526	0.7
177.05455	0.3
177.33379	0.2
179.03421	0.2
184.05194	0.2
185.05998	0.3
188.04729	0.3
189.09160	0.2
191.03442	0.2
198.62856	0.2
202.06233	0.2
203.07039	3.5
213.05580	0.3
216.04161	0.6
217.04938	0.2
217.08655	0.9
219.06444	0.4
227.06985	0.7
230.05785	0.4
231.06564	13.7
233.08197	0.5
239.58218	0.2
242.05872	0.3
245.08115	3.4
255.06540	0.6
258.05249	0.3
259.06027	1.4
268.03473	0.3
273.07584	1.5
283.06058	1.0
285.07550	1.4
286.04654	0.5
299.09204	0.3
300.09641	0.3
301.07065	100.0
302.07361	0.5
311.09335	0.2
325.07016	0.5
343.08261	1.1
383.45746	0.2
463.12561	0.3
548.31201	0.2
549.12744	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	549.1245
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
52.54012	0.2
52.84451	0.2
53.03957	1.3
55.01883	1.1
55.05490	0.2
57.03428	0.8
61.02935	0.9
62.35227	0.2
68.99776	0.8
69.03085	0.3
69.03432	4.7
70.07225	0.6
70.07597	0.4
71.04974	0.5
73.02901	0.9
78.12363	0.2
81.03422	5.7
85.02912	8.4
85.03434	0.5
86.10727	0.2
87.00842	3.9
91.03951	0.4
91.05487	0.2
97.02908	2.6
98.06017	0.2
98.94405	0.2
99.04468	1.6
99.28552	0.2
105.01877	2.5
107.04962	0.3
109.02890	4.6
110.05255	0.2
117.01855	0.8
121.06425	0.3
123.64246	0.2
124.41196	0.2
127.03923	7.1
129.01834	0.7
135.04443	1.4
137.02356	0.6
139.03899	2.3
145.04977	2.5
147.02855	0.5
153.01848	2.7
159.02905	2.8
161.05984	0.7
165.01897	1.1
183.02951	0.5
213.05545	0.3
229.04985	0.7
230.05762	2.8
231.05043	0.7
241.05054	0.6
245.08083	0.3
257.04471	0.8
258.05237	4.0
268.03580	0.2
269.04471	0.6
272.06805	0.7
286.04724	3.7
301.07077	100.0
302.07483	0.6
329.45563	0.2
453.53278	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	548.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	15.3
57.03427	14.3
59.67019	5.8
67.05520	40.8
69.07066	21.5
73.02899	9.7
79.05501	39.4
81.07050	29.2
85.02898	9.4
87.05350	8.2
91.05473	30.8
93.07051	53.3
95.04959	8.7
95.08591	24.1
98.21609	10.2
99.67720	6.9
105.07031	36.3
105.21282	6.3
107.08585	22.4
107.20988	6.4
109.10140	13.2
117.06995	11.2
119.08604	35.0
121.10136	29.1
123.08083	6.4
129.07011	7.2
131.08574	16.3
133.10112	26.8
135.11720	22.5
145.10135	11.0
147.11676	21.9
149.13243	15.6
159.11690	14.6
161.13263	21.9
163.11189	6.6
163.27345	6.4
205.97856	6.4
239.39970	7.1
240.17816	8.2
241.19562	23.8
259.20584	44.0
280.16986	21.8
283.15646	7.7
285.10208	7.6
301.16473	12.7
333.24249	7.3
351.25305	100.0
375.25253	6.7
385.78180	8.2
387.70349	7.5
450.36212	7.3
495.29315	14.0
503.68903	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	549.1243
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
52.56979	0.2
53.03936	0.8
55.01866	0.4
57.03425	0.6
67.05493	0.3
68.99799	0.5
69.03436	4.1
70.68499	0.5
71.04993	0.4
73.02919	0.4
77.31023	0.2
79.05489	0.2
81.03428	3.3
81.07063	0.6
83.01324	0.2
85.02428	0.3
85.02913	4.5
87.00835	2.8
87.04476	0.4
90.42693	0.2
91.05463	0.6
93.07047	0.2
95.05015	0.2
95.08646	0.2
97.02901	7.1
97.06496	0.2
99.04467	2.0
105.01868	1.3
105.07037	0.4
107.04960	0.4
107.08600	0.4
109.02892	1.5
111.08102	0.2
119.04952	0.2
121.06537	0.5
121.10169	0.2
123.04473	0.3
127.03928	4.4
131.82861	0.2
135.04408	1.8
137.02328	0.4
137.05988	0.6
139.03903	3.2
145.04984	1.6
147.04396	0.2
149.05983	0.3
153.01852	3.0
159.02934	0.4
159.04340	0.2
160.01601	0.3
161.06006	0.6
165.01863	1.5
167.07059	0.7
183.02907	0.6
201.05542	0.3
205.08464	0.2
213.05528	0.2
227.07101	0.2
229.05045	1.1
230.05707	3.4
231.04938	1.1
236.95747	0.2
241.05006	0.6
245.08176	0.4
257.04489	0.8
258.05261	4.5
269.04477	0.8
272.06879	0.9
285.04114	0.2
286.04758	4.8
297.12326	0.3
301.07083	100.0
302.07422	0.3
315.05109	0.5
331.08139	2.2
473.15860	0.3
517.14423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.2
55.01875	5.2
55.05512	42.7
57.03439	16.8
57.06878	0.7
57.07080	7.7
59.04991	1.8
65.03938	3.7
67.05508	79.6
68.05852	1.1
69.03430	3.4
69.07071	34.6
71.05000	4.9
71.08632	3.8
71.18443	1.3
72.04522	5.4
74.09709	1.0
77.03912	1.0
79.05498	44.8
80.05838	1.0
81.03423	60.5
81.07061	82.6
82.07397	1.6
83.04984	8.1
83.08620	33.9
85.02911	1.7
85.06551	3.3
85.10188	1.7
91.05484	37.6
93.07046	44.7
94.07379	1.6
95.04973	36.5
95.08613	58.7
97.02928	1.0
97.06538	9.6
97.10177	22.4
99.04488	1.1
99.08095	2.5
105.04527	1.3
105.07033	31.2
106.07404	0.9
107.04960	11.0
107.08597	24.4
109.06518	5.5
109.10158	30.7
111.08089	7.6
111.11726	2.5
113.09655	1.3
115.05449	2.1
117.07021	10.7
119.04942	1.4
119.08585	27.4
121.06515	8.5
121.10155	20.7
123.04455	1.1
123.08069	5.2
123.11690	10.6
125.09631	11.5
125.13297	0.9
129.07014	8.4
131.08583	17.3
133.06520	2.6
133.10139	16.8
135.08058	3.5
135.11708	11.2
137.09645	3.6
137.13295	4.0
139.11188	1.3
141.07004	1.8
142.07785	1.9
143.08536	5.1
145.06558	1.2
145.10132	12.8
147.08110	4.2
147.11684	12.5
149.09657	3.9
149.13257	5.8
151.11194	2.0
151.14832	1.5
153.09087	1.1
153.12758	1.0
155.08569	2.2
157.10141	10.9
159.11688	4.8
161.09669	1.3
161.13228	6.6
163.11194	5.7
163.14864	4.6
164.11572	1.3
165.12796	2.7
165.16418	1.1
169.10143	1.8
171.10326	1.1
171.11755	2.6
173.11838	1.1
173.13283	3.7
175.11176	7.3
175.14828	7.0
177.12769	3.3
177.16351	1.4
179.14375	1.9
179.17868	0.9
183.11705	2.1
185.13281	3.0
187.11235	1.8
187.13286	1.1
187.14839	2.4
189.11261	5.4
189.12709	1.0
189.16418	3.7
191.17929	0.9
193.12244	20.7
193.16008	1.3
195.11815	1.3
199.14879	1.8
201.12767	1.7
201.16451	2.2
203.18036	2.3
205.12317	2.1
207.13907	1.5
211.13228	2.1
211.14973	1.3
213.16591	1.1
215.14236	0.8
217.19646	1.0
223.13222	2.1
225.16415	1.1
227.10622	0.8
227.12746	10.8
227.16301	1.1
228.13161	2.0
233.15302	1.6
234.15181	1.0
241.18120	2.2
245.22754	5.0
247.16928	1.0
249.14777	5.1
255.19485	1.4
261.18661	1.0
263.23740	9.4
267.15924	60.0
275.20126	2.3
275.24048	0.9
285.25781	2.1
287.23703	2.2
289.21643	4.7
301.25195	2.4
303.23419	1.6
303.26825	10.5
305.24826	1.3
317.24738	1.6
319.26343	1.2
337.27383	53.7
341.28400	1.0
343.22610	1.1
361.27393	2.2
363.25369	2.1
397.25818	1.3
403.24789	1.9
421.25800	2.7
427.35870	1.6
435.27362	1.3
437.33987	5.9
455.35254	19.0
473.36221	11.9
491.37643	1.1
493.36432	1.0
503.37402	1.2
511.37616	1.3
529.38928	80.4
547.39941	100.0
548.40686	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1448
Annotation	Afrormosin 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
55.05514	0.5
59.05005	0.4
67.05498	1.2
69.03425	0.7
69.07063	0.4
70.06596	0.6
70.09009	1.5
71.04985	0.4
74.96977	0.3
79.05484	0.8
81.03403	0.5
81.07057	1.6
83.08617	0.3
85.02921	0.7
85.06506	0.5
87.00828	0.4
91.05482	0.8
93.07029	0.6
95.04982	0.5
95.08597	0.9
97.02888	0.6
99.04442	0.5
105.07033	0.9
107.08587	0.8
109.02856	0.4
109.06501	0.4
109.10162	0.4
111.08103	0.4
119.04949	0.4
119.08550	0.4
120.02059	0.4
121.06458	0.4
121.10140	0.8
127.03938	1.2
131.08534	0.4
133.06419	0.5
133.10136	0.4
135.04466	0.4
135.11713	0.4
137.02350	0.5
137.05960	0.7
139.11176	0.3
152.01062	0.8
161.06003	1.0
163.11240	0.5
166.02618	0.8
167.03389	0.7
168.05699	0.7
182.07297	0.4
183.08005	1.9
196.05344	0.4
197.05942	0.4
200.08380	0.3
210.06801	0.9
211.07530	3.1
213.05566	0.5
227.07100	0.4
228.07794	1.0
239.07088	0.9
241.05045	0.4
243.10156	4.0
252.04305	0.4
255.06596	0.6
256.07321	1.9
267.06598	0.4
269.04526	0.6
284.06805	21.6
287.05545	0.9
299.09149	100.0
310.84482	0.4
341.10306	0.4
365.92935	0.3
399.81351	0.4
461.14432	0.8
546.33209	4.2
547.14557	7.3
547.34326	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	547.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.5
59.05005	0.4
67.05498	1.2
69.03425	0.7
69.07063	0.4
70.06596	0.6
70.09009	1.5
71.04985	0.4
74.96977	0.3
79.05484	0.8
81.03403	0.5
81.07057	1.6
83.08617	0.3
85.02921	0.7
85.06506	0.5
87.00828	0.4
91.05482	0.8
93.07029	0.6
95.04982	0.5
95.08597	0.9
97.02888	0.6
99.04442	0.5
105.07033	0.9
107.08587	0.8
109.02856	0.4
109.06501	0.4
109.10162	0.4
111.08103	0.4
119.04949	0.4
119.08550	0.4
120.02059	0.4
121.06458	0.4
121.10140	0.8
127.03938	1.2
131.08534	0.4
133.06419	0.5
133.10136	0.4
135.04466	0.4
135.11713	0.4
137.02350	0.5
137.05960	0.7
139.11176	0.3
152.01062	0.8
161.06003	1.0
163.11240	0.5
166.02618	0.8
167.03389	0.7
168.05699	0.7
182.07297	0.4
183.08005	1.9
196.05344	0.4
197.05942	0.4
200.08380	0.3
210.06801	0.9
211.07530	3.1
213.05566	0.5
227.07100	0.4
228.07794	1.0
239.07088	0.9
241.05045	0.4
243.10156	4.0
252.04305	0.4
255.06596	0.6
256.07321	1.9
267.06598	0.4
269.04526	0.6
284.06805	21.6
287.05545	0.9
299.09149	100.0
310.84482	0.4
341.10306	0.4
365.92935	0.3
399.81351	0.4
461.14432	0.8
546.33209	4.2
547.14557	7.3
547.34326	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	547.145
Annotation	Afrormosin 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.04000	0.2
54.21589	0.2
55.01926	0.2
55.05555	0.3
60.19283	0.1
67.05574	0.6
69.03481	0.4
69.07117	0.2
70.65453	0.3
71.05061	0.3
74.27592	0.2
79.05571	0.5
81.03471	0.3
81.07145	0.6
84.08182	0.3
85.03004	0.5
91.05548	0.4
93.07113	0.4
93.14284	0.2
95.05036	0.3
95.08695	0.5
97.02937	0.3
97.74569	0.2
101.33952	0.2
103.05580	0.2
105.07085	0.4
107.05036	0.2
107.08654	0.3
109.10270	0.5
111.08123	0.2
125.09806	0.2
125.91537	0.2
127.04031	0.3
132.05794	0.4
133.06578	0.5
133.10172	0.2
135.04510	0.3
135.08162	0.2
137.06015	0.8
139.03958	0.3
145.10217	0.2
147.04492	0.2
161.06017	0.2
166.02637	0.3
167.03442	0.3
167.07079	0.3
183.08028	0.8
184.03688	1.6
185.06145	0.2
193.04919	0.2
196.05342	0.3
197.06007	0.4
200.08490	0.2
210.06854	0.4
211.07516	1.4
213.05464	0.4
227.07033	0.9
228.07906	0.8
239.07065	2.4
241.05069	0.6
243.10143	3.2
246.54173	0.2
255.06575	0.7
256.07312	4.5
267.06531	0.8
269.04486	0.2
269.08075	0.5
281.24765	0.3
283.06027	1.5
284.06796	14.6
285.07407	0.3
298.11792	0.2
299.09137	100.0
300.09525	0.5
385.30435	0.2
498.43509	0.2
546.32611	0.7
547.30530	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	546.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03377	1.0
53.03944	3.1
55.01880	2.4
55.05286	1.1
55.05514	8.4
57.03446	10.6
65.03943	1.9
67.05511	31.5
69.03421	2.3
69.07076	11.1
71.04994	3.8
71.05373	1.0
71.53381	1.5
79.05495	18.4
81.03424	45.3
81.07066	38.9
83.04974	6.4
83.08220	1.5
83.08633	16.2
84.36559	1.0
85.06537	2.4
91.05480	17.1
93.07049	28.9
95.04969	16.5
95.08608	12.4
97.06564	5.5
97.10178	2.9
98.12796	1.4
99.08093	1.8
105.07034	11.8
106.36145	1.1
107.04982	2.2
107.08598	18.9
109.06506	3.5
109.10162	3.0
111.08109	6.9
117.07024	5.3
119.08589	8.7
121.06493	1.8
121.10168	12.6
123.11679	2.6
125.09666	1.4
129.07014	4.8
131.08556	8.8
133.06499	2.1
133.10167	7.5
135.11713	5.5
137.09578	1.5
142.07764	1.3
147.08055	1.7
147.11681	5.5
149.09636	3.1
149.13271	14.6
157.10162	6.5
159.11742	5.3
163.11203	1.3
172.58096	1.2
175.11247	5.3
177.12746	2.6
193.12273	12.7
195.13802	4.0
211.13264	2.0
242.70384	1.2
249.15016	1.2
267.15936	58.5
269.17502	56.0
301.20013	1.3
319.58566	1.2
435.27359	4.3
443.28033	2.3
453.28372	3.8
461.29007	100.0
462.29205	1.5
479.30304	1.3
546.35492	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	546.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.2
55.01861	4.2
55.05518	5.4
57.03431	3.5
67.05508	18.7
69.03432	1.6
69.07067	7.3
69.45761	6.4
71.04979	3.2
73.02896	1.2
79.05506	15.3
81.03429	6.7
81.07064	19.9
83.04972	4.6
83.08608	5.4
85.02902	3.6
85.06536	1.9
91.05483	20.7
93.07061	12.9
95.01328	1.4
95.04971	4.9
95.08621	11.2
97.02889	1.3
97.06525	6.4
97.10189	3.0
104.83237	1.0
105.07044	25.5
107.04962	5.6
107.08602	9.3
109.06538	1.8
109.10165	8.1
111.08099	1.2
117.07034	6.9
119.08593	20.6
121.10135	6.4
123.08102	2.3
125.09616	1.6
127.03912	1.3
129.06987	2.5
131.08565	9.0
133.10147	20.7
135.08075	2.6
135.11687	3.8
141.06853	1.2
143.08545	2.5
145.10141	6.1
147.11714	9.1
149.09602	3.2
149.13377	1.1
151.11174	1.3
157.10129	3.1
159.11713	4.6
161.09630	1.3
161.13345	1.6
163.11200	2.0
169.10110	1.4
171.11766	1.2
173.13200	3.3
179.14340	2.1
229.14378	2.1
257.19006	2.5
259.72693	1.0
265.18646	1.1
267.15918	3.7
275.20065	21.9
293.20999	1.4
349.23758	100.0
421.25931	1.4
428.88153	1.3
511.28738	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	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	1.1
53.03944	3.6
55.01873	3.9
55.05266	1.9
55.05513	25.1
55.60434	1.2
57.03440	5.8
57.07077	1.5
65.03949	2.3
67.05508	50.9
69.03440	3.2
69.07074	14.6
69.24223	8.2
69.24625	2.2
69.35172	1.3
70.91943	1.0
71.04993	3.5
71.93735	1.3
79.05496	32.8
81.03423	21.6
81.07063	46.9
83.04977	3.7
83.08623	14.4
85.06573	2.7
91.05061	0.8
91.05486	29.5
93.07047	32.8
93.07633	1.8
95.04967	16.5
95.08612	32.7
97.02895	1.2
97.06532	4.4
97.09629	1.5
97.10184	12.9
98.21523	2.4
99.08133	1.5
101.10394	1.1
105.07039	25.7
107.04967	5.8
107.08602	22.9
109.06563	4.1
109.10168	20.1
111.08085	5.8
114.18205	1.1
117.07021	10.8
119.08589	20.7
121.06525	6.6
121.10152	15.5
123.08100	4.2
123.11696	6.8
125.09629	11.4
128.06296	1.1
129.07008	8.9
131.08578	15.8
133.06512	2.3
133.10152	14.9
135.08080	5.3
135.11688	9.2
137.09654	2.0
141.07030	2.1
142.07784	1.3
143.08583	4.1
145.06490	1.4
145.10123	15.3
147.08072	2.2
147.11694	11.2
149.09654	3.9
149.13269	5.1
151.11235	1.9
153.09189	1.6
155.08566	2.0
157.10152	8.2
159.08072	1.7
159.11702	12.3
161.09708	1.8
161.13264	5.9
163.11209	3.1
163.14874	2.5
165.12752	2.2
169.10138	3.1
171.10460	1.2
171.11639	6.2
173.09686	1.3
173.13252	6.4
175.11230	3.1
175.14857	3.2
181.10194	1.2
183.11696	2.0
185.13293	3.6
187.13374	1.3
187.14859	3.7
189.11253	5.8
190.50612	1.2
193.12259	8.2
195.11772	1.7
197.13336	2.3
199.14830	3.2
201.16420	2.3
211.14993	1.9
225.16451	1.4
227.12807	12.7
233.15321	1.8
243.15900	1.9
243.21199	1.9
247.16977	1.7
259.20636	1.6
261.19598	2.0
261.22104	10.5
267.15903	21.5
275.19958	1.4
285.22226	3.5
287.20300	2.5
287.23727	1.9
299.23862	2.4
301.25290	13.2
303.23193	2.2
317.24951	2.6
321.20660	1.5
329.21164	1.3
333.24243	1.3
335.25858	13.2
338.94183	1.4
359.25766	2.2
403.24905	2.3
421.25891	3.5
435.27527	1.9
435.32700	7.0
453.33585	11.5
471.34717	8.9
501.35522	2.0
509.36206	2.6
524.07513	1.2
527.37384	52.3
545.38428	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.5
55.01881	3.0
55.05516	31.9
57.03436	8.9
57.07073	1.8
64.70599	1.0
65.03960	3.2
67.05508	71.6
69.03439	1.9
69.07071	25.5
70.65263	2.4
70.65582	1.1
71.05016	4.1
71.08652	3.0
79.05499	46.7
81.03422	5.1
81.07063	79.7
83.05006	4.8
83.08623	15.4
85.06565	4.3
86.07532	0.9
91.05488	44.9
93.07051	53.7
95.04977	7.2
95.08614	45.1
97.06540	7.9
97.10194	9.3
99.08140	3.0
103.05513	1.3
105.04594	1.6
105.07042	48.4
107.05001	3.0
107.08601	33.8
107.09306	1.9
109.06564	4.3
109.10166	19.3
111.08107	4.6
115.05508	1.5
117.07018	18.6
119.08593	39.7
121.06542	3.1
121.10149	26.8
123.08088	2.6
123.10892	1.9
123.11699	8.9
125.09606	5.5
127.07642	1.3
128.06248	2.5
129.07007	13.3
131.08582	32.4
131.09529	1.8
133.06528	2.1
133.10144	25.5
133.11067	1.6
135.08087	3.1
135.11707	15.2
137.09634	2.4
137.88040	1.3
139.11267	1.5
141.07054	4.7
142.07854	1.9
143.08569	16.8
144.09351	1.9
145.06609	1.1
145.10132	27.1
147.08102	3.6
147.11693	26.6
147.12767	1.4
149.09683	3.5
149.13266	9.0
151.11241	4.1
155.08565	9.2
156.09319	1.8
157.10138	15.6
157.11302	1.3
159.08139	1.4
159.11699	17.6
161.09589	1.8
161.13261	10.3
163.11234	3.6
163.14876	2.1
165.07043	1.3
165.12811	6.2
167.08638	2.6
169.10121	10.1
171.11725	14.2
173.09644	1.9
173.11896	1.9
173.13290	12.8
175.11221	2.0
175.14891	4.9
177.12753	2.5
179.14342	1.1
181.10126	5.4
183.11728	10.6
183.13370	1.3
185.09651	1.0
185.13229	12.4
187.14862	6.3
189.11218	1.6
189.12802	1.6
189.16437	2.0
193.10184	1.2
193.12262	2.5
195.11731	3.1
195.13844	1.4
197.13245	6.6
199.14864	6.6
201.16464	3.5
209.13336	3.5
211.14946	4.7
213.16490	2.5
217.15985	1.7
217.39444	1.3
221.13306	1.8
223.14864	3.6
225.16551	1.6
227.12807	1.7
228.44118	1.2
229.14249	2.3
231.17485	1.3
231.21129	1.6
237.16449	1.5
239.17967	2.5
241.19533	4.3
243.21184	2.3
257.19031	1.3
259.20636	7.6
261.22192	3.2
267.15878	12.9
269.17316	7.7
273.18677	2.2
273.22177	1.4
275.20056	1.6
275.24094	1.2
277.21667	6.9
281.23053	1.1
283.20648	1.7
285.16776	1.4
285.22250	2.0
291.19525	2.2
299.23639	2.6
301.21658	1.5
301.25204	2.3
309.21979	1.9
311.23645	1.2
315.23257	1.8
317.20840	3.2
317.24597	2.3
323.23624	2.4
327.23392	1.8
329.24728	2.1
333.24423	5.9
335.25854	1.3
338.58859	1.3
341.24725	2.4
343.22772	1.2
367.26297	1.1
373.27460	1.5
407.33136	2.8
417.31549	4.1
425.34006	3.0
435.32562	16.5
443.35422	2.0
453.33701	16.7
471.34769	21.0
473.33957	1.4
481.93130	1.2
489.35809	1.6
501.35788	2.8
509.36389	7.9
515.37622	3.6
517.38818	7.0
527.37378	100.0
545.38867	90.5
546.38715	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.3
55.01880	4.9
55.05512	26.2
57.03443	9.6
57.07072	2.1
61.77616	1.2
62.19908	1.1
63.39942	0.9
63.74548	0.9
65.03951	3.2
67.05509	50.1
69.03424	2.4
69.07072	14.6
70.77599	1.2
70.77934	2.3
71.04989	3.9
74.06429	0.9
79.05495	36.2
81.03424	25.2
81.07059	50.0
83.04978	5.5
83.08632	14.7
85.02908	3.9
85.06549	2.7
89.11778	1.0
91.05486	28.0
93.07050	32.5
95.04976	16.0
95.08610	27.3
97.06536	4.2
97.10176	12.7
98.08145	1.1
99.08106	1.4
103.05498	1.3
105.04574	1.2
105.07036	23.1
107.04969	5.2
107.08593	23.4
109.06529	4.1
109.10153	17.8
111.04482	1.4
111.08105	4.0
117.07034	12.2
119.08582	21.4
120.56153	1.1
121.06496	5.0
121.10146	17.4
123.08071	4.0
123.11720	5.7
123.51320	1.0
125.09636	9.6
129.07002	8.0
131.08566	18.6
131.09500	1.2
133.06516	2.8
133.10129	13.8
135.08087	4.2
135.11690	9.4
137.09660	2.6
137.13292	1.8
141.07104	2.0
143.08562	6.2
145.06560	1.5
145.10133	14.9
147.08055	3.1
147.11693	12.2
149.09639	3.7
149.13268	3.7
151.11191	2.0
155.08577	3.2
157.10133	8.1
159.11691	11.2
161.09686	1.4
161.13312	5.3
163.11197	2.1
163.14827	1.8
165.12802	2.4
167.08611	1.2
169.10208	3.1
171.10339	1.6
171.11728	3.9
173.09657	1.2
173.13295	6.2
175.11224	4.3
175.14894	2.9
176.82100	1.0
177.12805	1.4
181.10188	1.3
183.11734	3.7
185.13310	4.1
187.11246	2.1
187.13319	1.4
187.14859	2.9
189.11259	4.9
189.16399	1.8
193.12218	11.8
197.13335	2.1
199.14839	1.3
201.16484	2.4
211.13223	7.3
213.16414	2.1
227.12752	9.1
243.21039	2.1
249.14966	1.3
249.18649	1.2
259.20776	2.1
261.22183	9.6
267.15918	17.5
275.20248	1.4
277.21683	1.7
285.22363	2.8
295.22650	1.3
299.23752	2.0
301.25266	13.2
303.23175	1.4
317.24899	2.9
329.21439	1.2
331.22672	1.1
335.25769	15.0
359.25964	2.4
403.24652	1.4
407.24060	1.3
417.26721	1.7
417.31638	2.1
421.25693	4.1
425.34723	1.3
433.29355	1.3
435.27432	1.7
435.32693	4.7
453.33664	10.8
471.34641	6.7
509.36676	2.4
510.11530	1.3
527.37360	45.2
545.38403	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30068	1.3
53.03934	5.3
55.01863	5.5
55.05268	1.8
55.05516	28.2
57.03439	7.6
57.07078	2.5
61.81547	1.0
65.03928	3.5
67.05509	53.5
69.03433	3.1
69.07069	12.9
71.04995	4.2
71.08630	1.3
79.05497	34.5
79.65583	1.0
81.03421	25.0
81.03863	2.0
81.07062	52.8
83.04985	3.8
83.08618	16.3
85.02953	1.5
85.06542	2.7
91.05483	29.4
93.07052	35.4
95.04972	18.0
95.08615	35.5
95.59754	1.1
97.02888	1.1
97.06536	4.1
97.10178	15.6
99.08079	2.0
105.07036	26.2
107.04970	5.1
107.07877	1.8
107.08598	25.8
109.06541	3.7
109.10168	25.0
111.08110	5.1
112.92570	1.0
117.07024	11.6
119.08581	20.3
121.06496	6.5
121.10139	13.3
123.08073	5.0
123.11697	5.9
125.09631	16.0
128.06139	1.3
129.06993	8.0
131.08571	19.5
133.06511	2.5
133.10130	15.9
135.08066	6.4
135.11693	11.3
137.09659	2.5
137.13271	1.8
141.07045	1.9
142.07796	1.8
143.08543	6.2
145.06499	1.5
145.10120	15.6
147.08032	3.3
147.11699	11.6
149.09633	4.1
149.13266	5.9
153.09164	1.3
155.08650	2.3
157.10115	9.1
159.11697	11.4
161.09607	2.5
161.13297	5.1
163.11157	3.1
163.14847	3.5
169.10123	3.4
171.10310	1.5
171.11613	5.2
173.09692	2.1
173.13246	7.1
175.11174	3.1
175.14853	3.8
177.12758	2.1
181.10150	1.3
183.11693	5.4
185.13278	4.5
187.11292	1.3
187.13367	1.7
187.14864	4.4
189.11212	6.1
193.12227	8.8
197.13290	1.6
198.69641	1.3
199.14796	2.8
199.95923	1.3
205.15846	1.6
209.13351	1.3
210.64493	1.1
213.16403	1.5
219.13754	1.3
223.14879	1.9
227.12717	12.3
233.15402	1.8
243.15910	1.5
243.21114	3.7
244.68590	1.2
247.17020	2.0
261.18463	1.9
261.22116	9.2
267.15906	23.0
273.18787	1.3
275.19891	1.2
279.19992	1.2
279.23352	2.5
283.24304	1.9
285.22156	4.1
299.23703	1.7
301.21924	2.6
301.25165	15.5
303.23276	2.0
317.24673	2.8
329.24622	1.6
335.25885	15.9
343.22662	1.4
357.27982	1.2
359.25720	1.7
366.12616	1.2
373.27322	1.4
403.24924	1.5
417.26825	1.6
421.25876	4.3
425.34479	1.2
435.27423	2.0
435.32449	6.8
444.91385	1.2
449.28818	1.9
453.33664	12.9
461.28699	1.1
471.34814	8.9
509.35980	2.4
527.37341	54.1
545.38397	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.8
55.01859	3.9
55.05514	22.6
57.03436	7.7
57.07054	2.4
63.07990	0.8
65.03936	3.1
65.95287	0.9
67.05506	50.0
69.03416	3.3
69.07078	14.7
70.70208	2.1
71.04994	4.6
77.03934	1.5
79.05496	51.1
81.03423	32.3
81.07059	52.8
83.04979	7.5
83.08625	17.5
83.27209	1.0
85.02911	15.2
85.06554	2.6
88.99606	1.0
91.05487	39.5
93.07049	46.3
94.07271	1.0
95.04972	14.3
95.08614	30.1
97.02897	1.3
97.06536	4.0
97.10177	6.9
99.08117	1.3
103.05451	1.3
105.04531	1.9
105.07031	29.0
107.04993	5.0
107.08600	22.5
109.06520	3.0
109.10156	14.4
111.08098	6.9
113.06001	1.4
115.05457	1.1
117.07019	9.1
119.06158	0.9
119.08582	20.3
121.06493	2.1
121.10144	21.1
123.08067	2.6
123.11711	4.3
125.09653	3.6
128.06259	1.7
129.07024	8.8
131.08566	16.9
133.06525	2.1
133.10130	14.8
135.08058	1.5
135.11705	9.3
137.09592	1.7
141.07063	1.6
142.07788	2.5
143.08580	3.2
145.10144	10.0
147.08046	1.5
147.11703	12.3
149.09637	5.3
149.13298	6.2
149.92490	1.2
151.11192	1.0
155.08566	1.3
157.10144	9.6
159.11685	5.6
161.09673	0.9
161.13297	3.7
163.11197	1.7
163.14751	1.5
165.12776	2.4
169.10097	2.2
171.11729	3.8
173.11954	0.9
173.13235	5.8
175.11191	10.2
175.14873	2.0
181.10201	0.9
183.11682	2.7
185.13338	2.2
187.14915	2.7
189.11209	1.9
193.12253	25.9
199.14873	2.4
201.16414	1.2
209.13374	0.9
211.13271	27.9
225.44286	1.1
227.12878	2.4
243.21109	2.1
244.79951	0.9
259.20630	1.9
261.22110	5.8
267.15851	7.4
275.20193	1.3
285.22177	1.5
299.23706	1.2
301.22296	1.1
301.25378	4.1
317.24799	2.0
333.24576	1.1
335.25748	6.5
435.32724	4.4
453.33554	4.0
471.34833	3.6
509.36264	1.8
527.37445	22.5
542.06982	0.9
545.38391	100.0
546.38910	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	545.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92565	2.1
53.03944	6.0
55.01876	27.0
55.04176	2.0
55.05511	27.1
57.03440	39.0
59.04980	3.7
61.02927	21.1
65.03936	2.4
66.15994	1.8
67.05507	51.4
69.03432	29.9
69.07074	100.0
70.54385	2.4
70.65603	5.7
71.01344	3.5
71.04987	7.9
73.02921	21.6
79.05079	2.1
79.05505	31.8
81.03416	25.2
81.07065	41.2
82.00969	1.8
83.04978	29.0
83.08622	11.8
85.02917	27.8
85.06551	3.2
87.04450	4.5
91.03970	11.2
91.05488	25.4
93.07047	32.9
95.04974	12.4
95.08617	27.7
97.02374	2.9
97.02909	27.7
97.06547	24.5
97.10188	7.6
99.04429	6.2
101.02398	3.8
101.06011	5.1
103.03966	4.8
105.07037	24.9
107.04949	5.4
107.08591	17.9
109.02882	6.4
109.06518	5.5
109.10160	21.3
111.04445	4.8
111.08083	5.0
115.07583	2.5
116.04707	13.0
117.07003	6.9
119.08585	16.1
121.06503	3.3
121.10161	10.6
123.04418	2.7
123.08075	4.8
123.11679	4.2
125.09629	7.8
127.03935	16.7
129.04514	2.8
129.05487	56.3
129.06956	3.7
131.08562	8.8
133.10146	14.5
135.08040	4.5
135.11710	9.5
137.09613	9.1
139.11179	2.2
141.07043	2.1
141.19106	2.0
143.07024	28.7
143.08594	3.9
145.04973	5.2
145.06442	2.1
145.10141	10.3
147.08006	3.3
147.11685	6.4
149.09628	14.3
149.13293	6.1
151.11192	3.8
151.36159	2.2
157.08621	65.4
157.09869	2.9
159.11703	7.6
161.09622	2.6
161.13255	6.1
163.11172	8.7
165.09184	2.3
171.10178	13.8
171.11598	3.2
173.11740	10.5
173.13213	4.6
175.11188	2.7
177.12750	3.5
179.10721	2.9
179.14346	6.5
183.06659	3.3
185.11771	4.4
187.11232	2.3
189.11208	3.5
193.12320	3.2
200.14120	17.5
229.14322	13.0
229.19463	2.9
253.17982	7.1
257.19009	6.7
267.16177	2.1
269.17462	2.9
273.18478	4.3
275.20129	27.7
291.19531	13.3
297.17020	2.9
349.23752	24.3
365.23325	15.9
383.24234	13.0
413.21866	3.1
493.28079	3.7
527.28375	6.0
545.29218	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	545.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.3
55.01860	5.2
55.05510	8.2
55.27837	1.2
56.03897	1.6
57.03437	20.5
58.50941	1.2
61.02916	2.2
65.03944	2.4
67.05180	2.2
67.05512	30.1
69.03419	4.0
69.07064	3.9
71.04993	2.9
71.53637	1.7
71.54043	1.7
79.05502	14.0
79.64594	1.5
81.03410	4.9
81.07063	14.6
83.08614	3.3
85.02895	4.3
85.06542	19.9
91.05475	14.6
93.06520	2.1
93.07055	12.8
95.04377	2.2
95.04979	33.4
95.08604	10.4
97.02884	3.5
97.06514	3.1
105.07043	11.6
107.04946	6.1
107.08597	10.8
109.06530	33.3
109.10149	3.8
109.62048	1.4
111.08061	2.6
113.06010	53.2
117.07021	6.4
119.01971	1.3
119.08602	8.3
121.06483	2.9
121.10139	4.1
125.09613	2.0
128.56740	1.5
129.06976	4.1
131.08559	8.9
133.10114	6.2
135.08060	24.8
135.11697	4.1
143.08578	3.6
145.10138	5.7
147.08060	2.7
149.09616	2.8
149.13290	2.1
157.10133	4.8
159.08034	1.6
159.11652	4.1
161.09662	3.0
163.11153	1.9
171.11639	2.2
173.11888	2.0
173.13286	2.5
177.12704	1.5
199.14861	2.2
204.93385	1.5
217.15900	7.0
218.42065	1.4
233.15286	1.5
245.19009	1.9
273.18494	16.1
287.05511	1.7
291.19565	55.9
307.18939	3.1
311.64697	1.5
347.22211	7.6
348.21542	1.3
365.23257	100.0
383.11237	5.3
508.55823	1.4
527.28406	2.8
545.30725	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	545.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.0
55.01885	13.8
55.05517	34.8
57.03437	18.1
57.74993	2.6
59.04987	2.8
61.02925	16.5
65.03933	3.1
66.06561	2.3
67.05514	48.9
69.03439	25.9
69.07070	28.7
71.01365	2.5
71.04993	7.9
71.53352	3.0
73.02911	7.9
79.05504	30.6
81.03423	63.6
81.07055	51.7
83.04996	13.1
83.08610	29.6
85.02914	29.1
85.06532	3.8
85.30430	2.5
91.03958	8.0
91.05490	36.6
93.07049	34.0
95.04974	27.6
95.08623	19.6
97.02907	24.1
97.06526	8.7
97.10170	23.6
99.04456	6.1
99.08119	3.7
105.07031	26.2
107.04976	13.1
107.08596	22.2
109.02887	8.2
109.06522	6.9
109.10160	15.7
111.04449	7.6
111.08062	13.2
114.36034	2.6
117.07028	10.3
119.08588	24.5
121.06522	4.5
121.10178	12.4
123.04404	3.4
123.08069	16.5
123.11662	4.0
125.09631	22.8
127.03899	11.8
129.07021	7.8
131.08609	15.5
133.06587	3.7
133.10121	14.6
135.08040	4.9
135.11688	6.6
137.09621	5.4
143.08601	4.7
145.05070	3.3
145.06512	3.6
145.10152	8.1
147.08055	11.7
147.11763	12.9
149.09631	5.7
157.10092	12.1
159.08118	4.0
159.11696	3.2
161.09662	7.2
163.11185	7.2
165.09149	5.4
165.12837	2.8
165.25954	3.1
171.10185	3.7
173.11731	3.6
175.11203	12.2
177.12744	3.8
183.06512	3.0
189.11237	14.9
193.12244	49.6
199.11278	2.5
205.12093	2.5
211.13292	38.4
216.96494	2.4
222.40135	2.5
223.13405	17.0
227.12776	9.5
229.14227	3.9
231.00964	2.5
242.20822	2.5
245.13689	2.8
249.14888	3.8
259.13574	2.5
263.19882	2.7
267.16049	13.3
273.18539	25.6
285.07672	4.9
285.16962	63.1
291.19556	95.8
307.05988	3.5
332.23166	2.6
347.22202	4.9
365.23245	100.0
383.24423	15.3
407.24185	3.6
429.21155	9.8
527.28351	12.2
545.28949	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	543.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01551	0.6
51.02373	0.6
53.03944	2.9
55.01872	3.5
55.05514	16.8
57.03438	3.2
57.07055	1.8
65.03925	1.9
67.05508	39.6
69.03394	1.9
69.07072	11.6
69.31944	0.6
69.67819	3.8
71.04966	2.7
73.02884	0.7
77.03880	0.9
79.05495	43.5
81.03435	4.2
81.07063	43.2
83.04989	5.1
83.08621	9.9
85.06517	1.1
91.05489	28.0
93.07050	54.2
95.04449	0.8
95.04983	10.2
95.08614	38.6
97.02876	2.4
97.06536	5.7
97.09642	0.5
97.10175	5.7
99.04451	3.3
99.08093	1.1
103.05445	1.0
105.04505	1.1
105.07037	20.2
107.04968	7.5
107.08601	33.9
109.06518	2.9
109.09595	0.7
109.10174	7.5
111.04430	1.1
111.08074	2.0
113.05956	1.0
115.05442	0.9
117.07031	13.8
119.06012	0.7
119.07793	1.0
119.08590	14.3
121.06493	5.3
121.09344	1.3
121.10149	18.1
123.08096	1.6
123.11716	2.1
125.05994	1.4
125.09621	4.0
127.07580	0.7
128.06265	0.8
129.06992	4.4
130.07779	1.8
131.08585	13.0
133.06552	0.7
133.10139	11.5
135.08044	2.5
135.11696	35.0
137.13193	0.6
141.06982	1.2
143.08533	4.7
145.10135	27.3
145.11296	1.4
147.07991	1.1
147.11702	4.9
149.09616	2.0
149.13268	5.0
151.11053	0.8
153.12703	0.9
155.08527	2.7
157.10132	4.2
159.08044	0.9
159.11691	6.2
161.09702	1.0
161.13266	4.0
163.11188	40.5
167.08578	1.0
169.10110	2.2
171.11661	2.6
173.09584	2.0
173.13257	3.2
175.14687	0.9
179.14319	2.3
181.10127	1.1
181.12219	8.6
183.11716	2.6
185.13290	2.9
187.14856	2.5
189.11217	0.8
195.11743	1.1
197.13260	2.0
199.14812	1.4
201.16492	1.0
207.11649	0.7
209.11708	1.8
209.13426	1.0
211.14851	1.0
225.16393	0.6
227.12793	82.4
239.18042	0.6
243.21162	0.7
257.19043	1.1
259.20416	0.7
261.22113	3.4
267.15823	0.8
275.20148	6.8
275.22839	1.0
277.21600	0.8
289.05707	0.6
291.31958	0.6
293.21240	1.1
299.20538	0.6
299.23773	1.8
301.21613	1.0
317.24756	1.5
347.83090	0.7
349.23712	0.9
351.67395	0.7
415.29999	0.9
421.25955	0.7
433.31177	1.8
451.32120	3.6
469.33038	2.0
507.34207	0.7
525.35815	10.7
543.36841	100.0
544.37238	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
61.02932	0.7
66.04673	0.3
69.03432	1.9
70.06586	0.4
72.08150	0.4
72.54034	0.3
79.05488	1.0
81.03416	1.2
81.07034	0.7
85.02909	6.7
87.00796	0.5
89.24685	0.3
89.91283	0.3
91.05474	2.1
93.07040	0.6
94.04184	1.9
95.04973	0.6
95.08606	0.4
95.70405	0.3
97.02898	1.7
103.05473	5.5
105.01846	0.7
105.07037	3.1
107.04946	1.3
109.02925	0.8
109.06519	1.1
115.05476	0.6
117.07014	0.5
119.04906	0.4
121.06511	2.7
122.03645	5.5
124.07626	0.3
127.03920	1.8
128.06223	0.6
131.04930	8.6
131.08568	0.4
133.06490	17.9
135.08049	5.9
137.05980	100.0
143.04903	0.8
143.08574	1.2
145.05005	1.3
145.06480	3.8
147.08072	1.6
149.05980	1.4
151.06401	0.2
151.07549	7.3
157.06500	1.3
162.06787	0.3
163.07545	31.5
165.09189	0.6
171.08089	2.5
174.06816	1.0
175.07605	2.3
177.09123	0.4
187.07570	0.9
188.08316	0.6
189.09140	2.9
203.10683	5.3
220.08723	0.5
221.11687	0.8
231.04895	0.4
235.11041	0.9
245.09598	0.6
248.08231	0.4
263.10696	1.9
295.13293	18.0
327.15900	31.1
345.16977	3.0
421.13235	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32104	0.4
53.12395	0.4
53.23124	0.5
56.35028	0.5
69.03989	0.5
70.79459	0.6
70.79795	1.1
78.64298	0.5
88.11157	0.5
99.16750	0.5
189.01210	0.5
220.95866	0.5
307.86801	0.6
363.06934	2.1
381.07950	12.3
543.13245	100.0
544.13818	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90540	0.2
56.96582	0.4
65.93216	0.2
69.03430	0.4
71.04978	0.2
71.53762	0.4
79.05502	0.6
81.03466	0.3
85.02897	1.5
89.10907	0.2
91.05496	1.5
92.05807	0.2
93.07053	1.4
95.05026	0.4
97.02901	0.9
98.06075	0.4
98.97594	1.1
103.05475	6.3
107.04957	2.2
109.02850	0.2
110.97569	0.2
116.98594	0.3
119.04970	1.9
120.08115	100.0
120.39091	0.2
121.06538	0.4
121.08504	0.3
122.06104	0.2
123.04453	0.2
127.03925	0.7
131.04944	2.9
134.07199	0.2
135.04451	0.5
136.06194	1.6
137.05988	1.0
140.07091	0.9
143.00168	0.2
145.04996	0.5
147.04411	4.1
148.04753	0.3
149.06012	2.4
151.07578	0.3
151.88452	0.2
158.99646	0.2
166.08652	54.1
167.07040	1.3
177.05475	0.5
179.07024	2.5
209.94537	0.2
219.01764	0.8
237.02820	0.8
250.01552	0.2
293.09955	0.2
311.11292	0.3
348.09848	0.3
428.03418	0.3
542.12384	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	541.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
55.01873	1.0
55.05516	4.8
57.03442	1.1
57.07090	3.8
59.05019	0.9
61.02925	0.8
65.94410	0.6
67.05508	9.4
69.03436	2.3
69.07072	17.0
70.97806	0.8
70.98148	1.5
71.04994	2.3
79.05497	5.2
81.07062	29.4
83.04984	1.2
83.08632	3.2
85.02917	7.2
85.06551	98.0
91.05485	2.9
93.07049	10.3
95.04980	1.6
95.08613	19.9
97.02903	1.8
97.06544	12.1
97.10153	2.1
99.08092	8.1
101.06003	0.8
105.07040	9.2
107.08597	12.4
109.06527	0.7
109.10172	12.0
111.08099	8.1
111.11723	3.9
113.09663	1.2
119.08596	7.6
121.10146	9.3
123.11705	12.3
125.09633	2.9
127.03941	1.9
127.11210	0.7
131.08554	1.0
133.10152	4.6
135.11702	4.5
137.13251	2.5
139.11198	4.5
141.12712	1.0
145.04994	1.1
145.10147	0.8
147.11688	6.4
149.13271	3.7
151.11183	3.8
155.14265	0.8
159.11647	1.1
161.13277	2.9
163.14784	3.4
165.12834	1.2
167.14339	3.0
169.12292	1.4
175.14804	1.2
176.25674	0.6
177.16423	2.4
187.92313	0.7
195.17461	1.7
203.17976	5.0
213.18462	3.3
221.19006	12.3
227.20064	1.2
239.20078	100.0
240.20558	0.9
257.21140	6.6
277.25281	1.3
289.25281	4.2
295.26309	3.0
307.26279	7.2
313.27283	4.2
325.27399	10.0
343.28506	8.4
361.29672	3.5
379.30490	2.0
401.25354	1.4
477.32001	0.7
523.33795	0.7
534.42004	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.4
53.03949	7.0
55.01869	2.0
55.05516	18.8
57.03434	3.2
57.07083	4.1
57.22337	0.5
65.03935	4.8
67.05510	64.0
69.03438	2.2
69.07074	16.5
70.06593	2.4
71.04997	2.0
71.08632	1.5
72.54255	0.5
72.67587	0.6
73.06555	1.0
77.03928	2.0
79.05499	83.0
81.03433	7.1
81.07063	54.3
83.04992	8.7
83.08623	6.9
85.06550	2.4
85.10222	1.3
88.07646	3.5
91.05487	56.3
93.07050	65.8
95.04977	14.6
95.08612	37.9
97.02895	0.6
97.06541	4.5
97.10181	3.2
98.20801	1.6
99.08088	1.5
101.06004	0.6
102.09189	2.7
103.05486	1.8
105.04533	3.3
105.07037	35.0
107.04960	4.9
107.07874	1.2
107.08604	25.5
109.06540	4.6
109.10168	10.6
111.08122	1.5
115.05465	2.1
117.07018	9.6
119.08588	22.9
121.06512	2.5
121.10151	15.4
123.08076	4.1
123.11733	1.5
127.07565	1.5
128.06244	2.5
129.07016	12.3
130.07825	0.8
131.08588	8.7
133.10138	13.0
135.08017	0.7
135.11705	9.7
137.09647	0.9
137.13330	0.6
141.06955	0.9
141.09151	0.7
142.07791	0.8
143.08580	7.1
145.10121	11.3
147.08112	1.7
147.11697	27.4
149.13239	2.7
155.08514	1.3
156.09390	0.7
157.10185	1.8
159.11710	4.3
161.09651	3.2
161.13261	10.3
163.14825	0.6
165.12804	0.6
167.08723	0.7
169.10152	1.8
171.11699	21.4
173.13304	2.6
175.14807	1.3
177.12770	0.5
179.14432	1.1
183.11726	1.1
185.13284	1.0
187.14824	1.1
189.12767	8.4
195.11667	0.6
197.13324	1.1
199.14902	0.8
201.16415	0.6
207.13817	24.4
209.13448	0.7
211.14809	0.7
213.16592	0.6
223.14767	0.8
225.14893	2.4
243.21243	1.0
256.26321	5.8
257.26645	3.6
259.20871	0.7
261.22147	3.6
275.74475	0.6
281.17599	1.5
283.26398	1.5
284.26837	1.0
284.29706	1.7
285.29691	0.6
311.29443	4.5
312.29828	2.7
317.24829	1.5
449.34360	1.9
467.35504	1.2
502.23386	0.6
523.37738	1.3
540.53522	4.5
541.38965	100.0
541.53198	19.8
542.39404	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01870	4.8
55.05512	15.8
57.03437	6.0
57.07082	13.5
61.02921	2.0
63.11266	1.5
65.03928	2.7
67.05512	45.3
69.03435	22.9
69.06725	3.0
69.07074	36.9
69.50886	11.7
70.06574	4.3
71.04991	7.9
72.08160	2.1
73.02932	2.8
73.06557	2.1
79.05502	19.8
81.03429	3.5
81.07066	100.0
83.04971	6.2
83.08626	13.8
85.02924	16.3
85.06553	90.8
86.09710	3.2
89.21677	1.7
91.03941	2.0
91.05487	11.9
93.04532	11.2
93.07053	43.1
95.04980	5.5
95.08614	69.6
97.02897	7.0
97.06540	19.5
97.10179	6.9
98.21625	1.6
99.04467	2.5
99.08090	17.9
103.03989	1.9
104.55699	1.9
105.07039	24.1
105.07710	3.2
107.08610	43.4
109.02835	2.7
109.06501	3.7
109.10164	64.6
111.08092	50.2
111.11732	3.6
113.06035	2.8
113.09654	3.7
115.07570	4.2
117.07035	3.1
119.08582	19.5
121.04003	58.4
121.10149	33.4
123.08099	2.3
123.11716	47.9
125.08769	3.7
125.09640	53.1
127.03886	5.1
127.07590	3.2
127.11193	6.3
131.05008	2.8
131.08588	5.0
133.10155	13.4
135.11708	27.6
137.05989	20.6
137.13264	9.0
139.11191	18.0
143.08646	2.1
145.04932	3.8
145.10150	6.0
147.11694	18.3
149.13274	17.0
151.07491	2.0
151.11197	7.1
151.14825	2.7
153.12759	13.4
155.10687	6.7
157.12241	4.2
159.11682	6.7
161.13272	11.0
162.05522	14.0
163.07404	1.9
163.14824	9.6
165.05466	3.8
165.12741	7.7
167.14307	3.3
169.12288	9.5
171.12384	3.8
171.13814	54.2
171.15279	3.1
172.05141	2.0
173.13307	3.3
174.06818	2.4
175.07516	4.3
175.13477	1.8
175.14836	6.5
177.16376	4.3
179.14313	3.2
179.18002	2.2
182.08163	9.0
183.13800	2.4
187.14801	2.0
189.09169	3.0
189.16304	3.2
190.04993	6.6
191.17975	9.9
203.18011	7.3
215.17923	8.5
219.10228	6.1
220.10547	3.7
221.18985	8.5
233.19040	2.7
237.18614	2.4
239.20078	65.2
251.20044	10.5
257.21094	3.7
269.21088	3.1
271.24203	6.0
277.25253	4.9
287.05240	1.9
289.25305	23.8
295.26352	14.8
303.04855	3.1
307.26324	47.7
313.27374	10.8
325.23828	4.2
325.27344	39.9
331.28253	2.6
343.24695	13.5
343.28458	30.6
361.29449	25.0
371.12396	4.1
377.01859	5.0
379.30536	4.0
389.13345	3.9
457.24741	1.8
541.15973	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.0
53.03952	6.4
53.72272	0.7
55.01872	8.4
55.05514	18.7
57.03427	3.4
57.07067	1.1
58.95789	0.8
59.05003	1.1
62.05206	0.8
65.03943	1.9
67.05508	40.0
68.99791	1.0
69.03438	2.7
69.07076	23.3
69.07460	1.1
70.64980	1.6
70.65329	1.0
71.04994	1.7
79.05499	29.9
81.03423	58.0
81.07061	37.8
83.05001	6.1
83.08622	13.4
84.90098	0.8
85.06553	2.0
91.05488	43.9
93.07056	25.5
95.01337	8.0
95.04980	19.9
95.08606	22.3
97.02899	1.6
97.06531	9.8
97.10167	5.1
99.08059	0.8
103.05468	2.8
105.07036	46.6
107.04956	17.9
107.08602	14.6
109.06541	5.4
109.10166	7.9
111.04461	0.9
111.08081	4.1
113.09682	1.6
115.05434	3.0
116.06196	0.9
117.07024	13.8
119.04966	1.1
119.06047	0.8
119.08591	27.1
121.06518	4.3
121.10132	8.8
121.95671	0.7
123.04469	2.0
123.08064	3.0
125.09656	3.6
128.06242	2.6
129.07027	11.6
130.07892	1.1
131.04951	0.9
131.08572	21.3
133.06529	2.0
133.09125	1.1
133.10136	23.5
133.11095	1.5
135.08067	3.0
135.11658	5.1
137.05963	2.1
137.09656	2.5
141.07013	3.0
142.07751	3.7
143.08562	6.3
143.47626	0.7
145.06500	3.0
145.10123	12.3
147.08055	4.0
147.11688	14.6
149.09624	8.6
149.13286	2.8
151.11234	1.0
154.07881	0.7
155.08592	3.2
156.09367	0.9
157.06519	1.4
157.10139	8.4
159.08020	1.6
159.11697	10.0
161.09621	1.8
161.13261	4.5
163.11217	3.8
165.09114	1.1
167.08621	1.7
169.10109	3.9
171.08145	1.2
171.11739	4.3
173.09647	1.7
173.13295	3.1
175.11230	5.2
177.12764	3.2
179.14316	9.9
181.10085	1.5
183.11728	3.2
185.09627	1.3
185.13297	2.7
187.11238	2.5
187.14777	1.1
189.11218	1.2
193.12251	10.0
195.11755	0.9
197.09636	0.8
197.13315	3.2
199.11224	0.9
199.14774	0.8
205.12221	1.9
207.11678	1.2
209.13268	1.2
211.14899	1.3
215.14308	0.8
219.13846	0.8
227.12651	1.0
229.19588	1.8
239.17986	1.7
241.14392	0.9
247.20630	1.3
249.14993	2.3
257.19104	5.1
267.15973	2.2
275.20084	57.4
281.19229	0.9
293.21140	6.4
297.22040	1.4
349.23721	1.9
431.29340	1.5
443.28137	2.5
449.30716	4.7
467.31805	3.1
497.47635	0.8
523.34210	4.0
541.35315	100.0
542.36157	1.4
555.16833	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.4
61.02917	0.7
65.90337	0.2
67.05488	0.6
69.03413	1.2
69.81227	1.3
70.06570	0.4
77.32399	0.3
81.03419	0.5
85.02907	4.3
91.03915	0.4
91.05484	0.8
93.07076	0.3
97.02898	1.3
115.05447	0.5
117.07013	0.3
127.03915	1.0
128.06213	0.5
129.07007	4.5
131.04909	0.7
131.08574	5.9
137.05994	1.4
137.06822	0.3
141.06996	4.4
143.04924	0.4
144.05640	0.6
144.06668	0.3
145.04941	1.2
145.06459	0.7
146.07230	0.5
151.07510	0.3
157.06505	4.3
158.07243	2.4
159.04298	0.3
159.06827	0.5
159.08070	5.3
160.05284	0.5
161.09630	0.4
162.07639	0.6
169.06442	2.2
169.07684	0.3
170.07304	1.2
174.06769	10.7
175.07565	2.2
180.08656	1.2
186.06781	2.6
187.07605	0.5
188.08310	0.8
189.09120	22.9
191.10675	2.3
196.88396	0.3
201.09108	8.2
207.10214	0.6
219.10168	100.0
220.10480	0.5
237.11118	1.5
263.75879	0.3
381.15381	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.9885
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96338	0.4
56.96568	4.8
71.51271	0.4
71.95261	1.8
78.51073	0.3
98.97588	77.9
116.98628	38.4
132.18810	0.3
134.99666	9.9
140.00197	0.7
153.00722	0.8
158.01271	0.4
158.30081	0.3
172.94365	2.7
190.95407	2.4
197.95074	0.7
208.96547	0.7
214.95377	3.1
232.96497	6.9
240.98875	1.1
248.94504	0.5
250.97606	3.3
256.96457	21.0
258.99783	9.8
260.99963	0.3
261.03076	0.7
272.94644	0.7
274.97525	100.0
275.97833	0.4
276.98038	0.6
277.00827	9.6
278.01279	0.4
283.00018	1.5
284.00061	0.6
284.99820	1.0
290.95483	0.9
292.98572	48.9
294.98807	0.4
297.99112	3.0
298.97855	2.1
300.97852	0.4
301.01215	1.9
303.00781	1.2
314.95535	0.7
316.00323	1.1
316.98779	3.1
318.98486	0.3
332.96649	1.2
343.02222	0.6
356.96686	0.5
374.97821	1.5
382.99963	1.3
398.97641	30.3
401.00998	2.8
414.95535	0.8
416.98715	51.8
417.98465	0.4
432.96423	0.6
434.99762	7.0
440.00421	2.7
440.98807	0.5
445.02103	1.0
456.96719	2.3
457.96017	0.5
459.00351	0.8
474.97879	0.5
540.98877	22.2
541.98840	0.7
556.97113	0.5
557.05371	0.4
558.97424	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.3
57.03425	0.7
68.53346	0.3
69.03413	1.3
69.50544	2.5
73.02883	0.7
81.03422	0.7
81.07059	0.4
85.02920	2.9
85.06525	0.4
85.82959	0.3
91.05474	1.6
93.07039	0.7
95.08613	0.6
97.02905	0.9
98.21519	0.6
105.07037	0.5
115.05431	0.6
116.41806	0.4
127.03936	0.8
128.06223	1.1
128.07095	0.4
129.07014	6.6
131.04944	0.8
131.08580	6.4
135.11765	0.4
137.05969	4.0
141.06998	4.7
144.05690	0.5
145.04936	0.9
145.06548	0.8
151.07564	1.3
153.12775	0.4
157.06500	6.4
158.07260	2.3
159.08064	5.7
160.05257	1.1
161.05960	0.5
161.09692	0.6
163.07555	0.9
169.06458	2.4
170.07260	1.0
173.05962	0.4
174.06781	11.3
175.07523	2.9
186.06816	3.1
188.08345	0.5
189.09123	25.6
191.10641	1.3
201.09100	8.2
207.10201	0.8
219.10170	100.0
220.10512	0.4
236.91095	0.4
237.11259	1.2
255.10208	0.5
267.70023	0.4
287.12921	0.8
331.15527	1.8
465.54767	0.5
540.19238	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.01865	3.2
55.05269	1.4
55.05513	17.9
57.03445	6.3
57.07080	12.9
60.71507	0.9
64.85082	0.8
65.03946	2.4
67.05508	31.0
67.45008	0.8
69.03413	1.2
69.07071	12.6
69.11893	0.7
69.15982	8.5
71.04984	2.6
71.08639	9.4
77.03922	1.3
79.05499	29.8
81.03445	1.9
81.07063	30.8
83.04980	4.6
83.08627	10.9
85.02913	0.9
85.06522	1.6
85.10188	4.9
89.06010	1.0
89.89966	0.8
91.05486	25.4
93.07050	32.5
95.04975	6.0
95.08611	27.6
97.02879	1.2
97.06538	3.5
97.10168	5.8
99.04498	1.2
99.08102	1.1
103.05460	2.0
105.04533	1.6
105.07040	24.0
107.04948	3.8
107.08600	17.7
109.06519	1.9
109.10165	9.7
111.04491	1.0
111.08077	1.9
111.57485	0.8
113.05960	1.1
115.05462	1.8
117.07015	11.6
119.08593	18.3
121.06545	2.2
121.10138	9.0
123.08073	1.1
123.11727	2.1
125.09641	2.2
128.06233	3.5
129.07004	11.2
130.07805	1.5
131.08568	13.9
133.10135	9.7
135.08066	1.5
135.11700	15.4
136.18414	0.8
141.07014	4.3
142.07751	2.2
143.08554	12.5
144.09415	0.9
145.10121	20.0
147.11690	8.7
149.13271	1.3
153.06993	1.7
154.07730	2.0
155.08565	11.5
156.09300	0.9
157.10167	8.9
159.11705	7.3
161.09586	1.1
161.13269	2.6
162.50191	0.9
163.11189	18.2
165.07021	1.5
166.07822	1.3
167.08620	6.1
168.09375	1.7
169.10127	11.8
171.11690	11.1
173.09726	1.1
173.13333	4.4
175.14799	1.1
179.08615	2.3
180.09312	1.0
181.10136	9.4
181.12267	3.8
182.10970	0.8
183.11711	12.0
185.13292	5.8
187.14847	2.1
189.12788	1.1
191.08580	1.1
193.10207	3.0
193.15974	0.9
195.11688	10.6
197.13283	7.1
199.14833	3.4
201.16519	1.1
205.10242	1.2
206.10951	0.9
207.11717	3.1
207.13864	3.0
209.11665	1.4
209.13310	6.9
211.14825	4.7
213.16446	1.6
216.80089	0.8
219.11795	1.9
221.13303	3.4
223.14803	4.4
225.16472	1.9
227.12781	38.4
233.13319	1.4
235.14897	2.8
237.16498	2.5
239.23769	1.5
241.19576	1.2
247.14839	1.8
249.16458	2.1
251.18039	1.9
259.20636	3.5
261.16351	1.6
281.17673	1.0
283.15387	22.1
295.20468	1.0
309.22208	1.5
313.21844	1.6
313.27383	35.6
315.23242	3.0
321.22293	1.2
323.23669	2.3
325.21777	1.0
335.23767	2.1
337.21497	1.3
337.25394	1.3
339.23303	2.1
349.25272	1.4
351.23129	1.1
429.31519	4.5
447.32639	17.7
465.33682	6.8
483.34763	3.6
503.35498	2.0
512.58038	1.0
521.38055	27.5
539.37354	100.0
540.37109	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	539.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.4
55.05513	14.8
57.03429	9.4
57.06838	3.0
57.07084	38.5
59.02843	2.4
67.05241	1.8
67.05514	20.3
69.07066	12.8
71.04992	2.3
71.08637	28.1
71.54313	2.2
71.54688	2.9
72.06640	2.1
79.05492	24.7
81.03402	2.3
81.07059	34.6
83.04987	3.6
83.08627	16.3
85.10192	11.7
88.07558	2.3
89.06016	2.6
91.05470	7.5
93.06563	2.9
93.07056	33.4
95.04956	6.6
95.08614	51.3
97.02861	2.8
97.06509	4.0
97.10138	3.0
99.04446	4.7
103.23273	2.4
105.07028	7.9
107.04937	9.2
107.08598	28.6
109.10127	10.8
117.07040	10.0
119.06082	2.2
119.08567	16.2
121.06480	5.4
121.10148	12.2
123.11713	3.2
127.72150	3.1
133.10110	3.8
135.11691	42.5
137.13272	3.0
143.08606	3.3
145.10120	23.2
163.11195	56.0
163.12532	4.0
181.10771	2.1
181.12221	10.3
227.12787	100.0
251.75156	2.4
283.12405	4.0
283.15414	61.3
313.27383	97.5
435.03122	2.7
521.38391	74.2
539.45862	3.9
539.52820	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	539.343
Annotation	Virenamide A
Peak:m/z	Relative Intensity
53.03937	6.2
55.05509	17.0
57.03444	4.5
57.07064	6.8
59.04989	5.3
61.02914	4.0
67.05505	34.5
69.03426	13.6
69.06680	3.1
69.07070	61.0
69.99807	6.0
70.00218	8.1
71.04996	14.0
71.05310	2.5
79.05108	3.2
79.05497	25.9
81.03404	7.8
81.07063	100.0
83.05000	15.3
83.08630	15.6
85.02911	16.8
85.06548	54.7
91.05471	20.6
93.07048	79.2
95.04977	38.6
95.08614	77.7
97.02889	5.0
97.06535	21.0
97.10155	7.7
99.04468	12.0
99.08106	13.8
105.07047	36.7
107.04937	3.6
107.08600	59.0
109.02885	3.5
109.06532	18.9
109.10164	71.8
111.08088	12.4
111.11725	13.0
113.05978	6.4
115.07597	4.6
117.06988	4.6
119.07819	2.5
119.08591	28.1
121.06528	2.3
121.10157	54.0
123.08041	5.5
123.11699	25.7
125.09628	15.5
127.03916	3.5
127.07556	3.6
127.11180	6.7
130.07765	2.8
131.08586	13.1
133.10143	21.8
135.08064	5.5
135.11691	34.9
137.05981	20.0
137.09601	4.0
137.13307	11.5
139.11188	17.2
143.08586	3.9
143.10681	3.0
145.04951	3.1
145.10143	21.6
147.11682	17.2
149.09612	5.5
149.13260	31.1
151.07526	3.4
151.11162	8.2
153.12791	16.2
155.10672	5.7
157.10103	6.4
157.12257	5.0
159.11699	19.0
161.13271	11.2
163.11154	9.2
163.14809	7.3
165.12724	6.6
167.10669	9.6
167.14363	3.5
169.12216	7.7
171.13812	83.6
173.13274	7.9
175.07568	3.9
175.14861	6.5
177.12766	2.7
177.16373	6.1
181.12125	3.9
183.13765	2.8
185.13226	3.0
185.15340	8.1
187.14896	4.0
189.16339	7.1
193.15887	3.5
199.14864	3.1
201.09222	2.6
205.15965	2.5
213.16370	10.9
213.18344	4.1
217.19562	2.5
225.18584	2.9
227.17970	3.9
229.19548	5.6
231.17480	3.6
235.20563	3.0
237.18527	17.8
239.20258	2.5
249.18600	3.5
255.19598	6.8
267.19534	2.6
269.22565	9.2
275.23645	6.9
287.23694	22.2
289.05869	3.4
293.24744	12.5
305.24771	56.5
311.25885	5.5
323.25821	32.2
329.07947	2.9
340.25861	2.5
341.26941	24.7
359.27869	11.0
377.28949	9.0
417.17041	3.7
435.17850	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	539.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48097	1.8
52.44897	1.4
53.03953	3.2
55.01863	1.9
55.05306	1.7
55.05518	19.0
57.03428	4.3
57.07085	12.4
57.58067	1.6
59.04998	3.6
61.02922	2.4
64.21326	1.6
65.03936	2.9
67.05181	3.2
67.05512	43.3
69.03436	18.3
69.06730	2.3
69.07079	39.7
69.23257	4.4
69.23663	13.2
70.06560	1.8
71.04708	1.3
71.04996	14.0
71.96745	1.6
73.06559	1.8
79.05502	24.9
81.03413	3.5
81.07066	100.0
83.04997	11.2
83.08621	13.4
85.02903	12.0
85.06551	77.6
86.09704	2.0
87.04465	2.5
91.05484	17.3
93.07053	74.8
95.04974	13.0
95.08619	67.1
97.02876	5.7
97.06525	12.7
97.10182	4.5
98.20772	3.5
99.04487	2.2
99.08099	9.9
99.97386	1.7
101.06001	2.5
105.07043	27.8
106.30292	1.7
107.07870	3.5
107.08602	56.7
109.06532	7.7
109.10168	70.5
109.43700	1.9
111.08112	12.3
111.11701	5.4
113.06010	2.3
117.07013	3.5
117.23980	1.6
119.08595	22.7
121.06492	3.2
121.10151	53.6
123.08100	4.4
123.11718	41.3
125.09645	42.7
125.13284	2.6
127.07606	4.8
127.11205	6.5
129.07079	2.0
131.08586	9.3
133.10133	17.3
135.11711	29.0
137.05965	5.7
137.09634	6.5
137.13263	7.1
139.11205	12.1
143.08531	3.0
145.04930	2.3
145.10146	11.8
147.11716	18.5
149.09645	2.5
149.13266	16.9
151.11198	8.7
151.14810	2.5
153.12753	16.5
155.10645	5.6
156.77563	1.8
157.10135	5.6
157.12216	3.3
159.11713	13.3
159.38437	1.7
161.09755	2.0
161.13286	13.4
163.11194	6.5
163.14825	4.6
165.12781	7.1
167.07085	1.8
167.10675	2.6
167.14311	2.7
169.12219	10.3
171.11678	2.9
171.13818	67.6
173.13286	6.6
175.14827	5.0
177.12711	3.9
177.16383	6.2
181.12259	10.1
183.13792	2.7
187.14742	3.7
189.16411	10.0
193.15970	2.0
199.14822	2.5
201.16444	3.2
203.17987	3.4
205.15848	2.0
207.17551	2.9
211.16928	2.4
213.16408	11.8
217.19617	2.7
219.17545	2.5
227.18015	4.8
231.17514	2.7
243.21101	1.9
249.18521	3.3
257.22534	2.6
259.24307	2.1
267.19614	4.2
269.22552	8.2
275.23715	6.4
277.25119	2.3
287.23746	20.2
293.24820	6.5
305.24762	47.6
311.25797	12.3
323.25839	54.5
341.26852	15.9
359.28000	14.2
377.29056	13.2
396.05856	1.9
539.29425	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	538.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.5
53.03939	0.7
55.01873	1.2
55.05517	0.7
61.02927	0.6
64.63583	0.5
67.05503	0.6
69.03417	1.7
70.06596	0.7
71.53741	0.9
79.05485	1.5
81.03429	1.0
81.07059	1.5
83.08611	1.0
84.04515	1.1
85.02906	4.6
86.09708	0.5
91.05471	3.8
93.07043	2.1
94.04178	1.9
95.04981	0.9
95.08603	1.2
97.02888	1.5
97.06602	0.6
99.04463	0.9
103.03912	1.3
103.05453	2.0
105.07034	5.1
107.04954	0.6
107.08562	0.8
109.06512	1.1
115.05482	1.3
117.07021	1.6
119.04887	0.6
119.08608	2.3
121.06529	1.5
121.10132	1.2
122.03653	4.3
123.04404	0.8
123.08051	0.5
127.03921	1.7
128.06253	0.7
129.07004	2.0
131.04951	2.2
132.05719	1.6
133.06505	4.4
137.05984	100.0
143.05997	0.5
144.05666	0.5
145.04974	1.2
145.06462	2.7
147.04414	1.7
147.08089	2.4
149.06007	4.7
151.07590	0.7
155.04903	0.9
157.07678	0.6
158.02750	0.9
159.08109	1.7
160.05211	1.5
161.05998	15.9
162.06767	1.9
163.06128	0.7
163.07579	1.5
172.05144	0.8
173.05991	1.2
175.07562	27.4
176.03777	0.9
177.09123	1.3
177.16415	0.7
178.16797	0.8
179.07051	1.8
184.09744	0.8
187.07555	6.8
189.09125	0.7
190.07758	1.4
191.08592	3.8
193.08623	5.4
199.07585	2.9
202.07822	0.8
203.08557	1.5
205.08553	4.3
207.08087	0.9
210.89705	0.5
217.08575	1.0
218.07239	0.8
219.08066	7.0
219.99634	0.5
220.08919	0.9
227.16376	0.9
231.08061	1.9
232.08849	0.7
235.07593	1.0
236.08221	1.2
237.90195	0.5
247.07549	4.4
248.08412	1.1
251.10709	11.4
253.08536	0.8
259.07480	2.3
260.08423	0.7
263.10712	1.3
264.07870	1.1
265.08774	0.7
276.07858	0.5
279.10187	10.4
280.10962	0.6
281.08173	0.6
282.54242	0.6
291.10162	4.5
296.10312	0.6
297.11273	0.7
308.10538	0.6
309.11316	1.2
311.12790	27.5
323.12811	12.2
329.13861	5.8
341.13858	11.7
359.14920	1.6
475.31412	0.8
476.24039	1.6
538.30652	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	537.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97708	0.9
53.03943	7.7
55.01862	3.0
55.05266	1.3
55.05511	14.8
57.03434	8.7
57.07077	33.7
58.30554	1.2
65.03936	3.2
67.05505	46.5
68.22307	0.9
69.06726	1.3
69.07070	14.8
69.33230	8.7
70.93810	1.0
71.04985	1.9
71.08633	23.3
75.51668	1.0
77.03926	1.2
79.05495	53.8
81.03437	5.5
81.06589	2.2
81.07058	43.3
83.04988	10.1
83.08620	11.2
85.10180	13.6
91.05482	41.0
93.07043	48.2
95.04977	15.7
95.08604	31.2
97.06499	3.2
97.10173	6.4
105.04516	2.4
105.07030	30.0
107.04948	4.6
107.08590	13.0
109.06509	4.6
109.10165	9.4
111.08092	1.4
115.05477	1.1
117.07027	6.8
119.08582	15.4
121.06495	2.6
121.10136	2.4
123.08056	4.1
123.11707	2.4
128.06242	1.5
129.07004	12.3
131.08621	1.8
133.10161	7.1
135.11687	1.3
143.08557	7.1
145.10117	6.6
147.08046	1.3
147.11691	30.3
161.09630	3.8
161.13264	8.9
171.11697	24.7
171.13997	1.3
189.12723	10.1
207.13799	30.9
225.14862	2.1
239.23625	2.0
270.83279	1.3
281.17471	59.7
281.29501	2.8
282.27942	14.4
299.30579	3.3
313.27365	69.1
356.84491	1.2
519.40454	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01284	1.1
53.03943	5.9
55.01869	2.6
55.05272	1.4
55.05518	18.7
57.03233	1.0
57.03445	10.3
57.06828	2.0
57.07084	32.4
60.68417	1.3
65.03934	2.3
67.05513	41.5
69.07079	13.7
71.04982	3.3
71.08281	1.8
71.08640	20.4
77.03935	1.6
79.05501	51.8
81.03418	6.7
81.07063	39.7
83.05004	9.1
83.08626	12.5
85.06565	3.3
85.10187	14.4
91.05489	40.9
93.07053	48.8
95.04987	13.9
95.08614	33.6
97.06529	3.7
97.10178	7.7
98.20719	2.7
105.04547	2.1
105.06396	2.0
105.07050	27.7
107.04944	4.0
107.08601	12.7
109.06526	4.6
109.10162	10.3
111.08102	1.4
112.42835	1.6
116.10314	1.5
117.07047	6.4
119.08579	16.2
121.06547	2.9
121.10136	3.1
123.08064	2.9
123.11748	3.4
125.09706	1.4
128.06233	1.9
129.07005	12.9
130.16551	1.3
133.10117	4.3
137.13322	1.8
143.08592	8.4
145.10191	8.3
147.08026	1.9
147.11702	27.9
158.53270	1.2
161.09633	3.7
161.13272	11.7
163.11166	1.4
171.11716	22.8
189.12744	9.4
207.13824	26.4
229.29243	1.7
239.23743	2.7
281.17499	59.0
285.05280	1.3
313.27383	71.5
350.87927	1.4
519.40515	100.0
537.25073	2.0
537.37860	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	536.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	0.5
58.06607	0.4
60.07880	0.4
60.08172	5.6
61.14860	0.3
66.57271	0.3
67.05485	0.9
70.06596	0.4
71.07387	2.4
71.53484	0.5
79.05454	0.4
81.07064	1.4
86.09714	28.4
91.05428	0.5
93.07050	0.7
95.08630	0.5
98.74450	0.3
98.98476	3.0
104.10752	3.4
125.00018	21.7
136.04694	0.3
167.05591	0.6
167.31989	0.3
184.07358	100.0
212.00293	0.4
246.08565	0.3
299.06192	1.4
305.81497	0.4
344.97577	0.4
500.31201	1.0
518.32489	9.0
536.31812	0.6
559.97760	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01620	0.8
55.01875	7.5
55.05518	3.7
56.05037	0.9
57.03435	1.0
57.07072	0.6
58.99588	6.7
67.05226	0.5
67.05517	5.5
69.03432	0.8
69.07083	4.5
69.63801	3.2
70.06586	1.0
70.09750	0.5
71.05005	2.6
72.04520	3.1
72.08133	0.4
73.02928	1.1
74.00681	0.5
76.02241	4.2
79.05514	3.9
81.03423	0.7
81.07067	13.6
83.04995	1.3
83.06113	1.9
83.08633	3.3
84.04511	3.8
84.08154	0.6
85.01117	0.6
85.02895	1.4
85.06559	2.7
86.09698	0.7
86.99055	5.7
87.02718	1.3
88.02207	2.6
90.05561	5.1
91.05454	4.2
93.05085	0.4
93.07046	4.9
95.04973	1.0
95.08615	14.8
97.01120	1.2
97.02903	0.4
97.06550	3.9
97.10188	1.9
99.02685	0.7
99.05543	0.9
99.08095	1.6
101.04227	0.8
104.01701	17.4
105.07040	5.1
107.08598	3.4
109.06548	1.2
109.10165	2.1
111.02663	1.2
111.08084	1.2
113.04259	0.8
113.09646	0.6
115.07614	0.5
116.01686	33.6
118.25623	0.5
119.08598	7.3
121.10143	3.0
123.08054	1.3
123.11736	0.6
125.04240	0.7
125.07150	0.4
125.23721	0.5
126.05494	1.1
127.07529	0.5
129.05777	0.6
129.06572	2.9
130.05042	1.7
131.08591	0.6
133.10156	5.2
135.08040	0.5
135.11716	3.9
137.05998	0.8
137.09631	1.1
137.13255	2.5
141.06610	1.3
142.03212	4.1
144.06599	1.6
145.10158	0.8
147.11740	0.8
149.13321	0.9
158.02728	100.0
159.07677	1.6
159.11723	0.6
160.02318	0.6
161.13280	12.6
170.02716	0.5
176.03787	73.7
179.14337	6.4
181.06142	1.0
187.05525	0.7
193.06462	0.7
197.15392	2.7
215.04887	1.0
215.16371	0.7
216.88948	0.5
237.13066	0.7
241.06598	0.8
255.14119	4.3
259.07364	0.9
270.21567	0.5
272.16769	2.0
273.15207	13.1
284.49658	0.6
287.05600	1.8
288.05933	2.4
288.08917	0.5
290.17853	1.8
300.16409	2.2
305.07944	0.6
354.17526	1.9
372.18378	3.1
388.19757	0.6
389.19290	3.4
390.19495	21.0
391.13361	0.6
407.22137	46.2
429.20428	0.6
432.19305	1.0
447.21606	5.1
518.25415	2.6
536.19678	0.7
536.26465	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	535.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.01868	4.0
55.05511	9.7
57.03441	21.4
61.02918	1.0
65.03952	1.8
67.01886	0.9
67.05507	32.9
68.99791	1.1
69.00500	0.7
69.03424	6.2
69.07072	12.7
69.38656	2.6
69.39083	2.2
71.01359	18.1
71.04992	3.9
73.02921	23.5
75.04492	4.4
77.03834	0.7
79.05492	21.4
81.03419	2.3
81.07059	93.4
83.01348	3.5
83.04986	7.9
83.08630	8.9
85.02909	39.8
85.06542	4.5
90.08443	0.6
91.05483	33.4
93.07052	17.0
95.01336	18.6
95.04950	4.6
95.08607	21.2
97.02888	7.7
97.06531	9.4
97.10167	1.0
98.20757	1.4
99.00830	4.0
99.04492	0.8
99.08076	5.6
101.02372	7.8
101.06026	1.6
103.03951	6.2
105.07035	47.2
107.04933	0.9
107.08602	16.8
107.09303	1.1
109.02939	0.9
109.06518	6.1
109.10175	2.8
111.00801	0.8
111.08092	2.2
112.55576	0.6
113.02367	18.9
113.05998	2.0
115.05486	0.6
117.07011	0.7
119.08590	34.3
121.10149	21.9
123.00838	1.3
123.04453	1.7
123.08076	5.3
123.10821	1.5
123.11718	27.8
127.03932	1.6
127.07619	3.3
129.07042	1.9
131.03427	7.0
131.08578	2.6
133.10146	4.8
135.11777	0.9
137.05940	0.8
137.09633	1.4
137.13268	2.9
139.11314	0.7
141.01831	27.7
141.09117	1.4
145.10155	1.5
147.11691	94.1
149.09691	0.9
149.62744	0.7
151.03964	0.8
153.05486	4.1
157.10150	5.7
159.02907	4.8
165.12762	51.3
169.04980	1.3
171.06567	0.7
175.11192	6.5
183.13811	10.2
193.12244	7.8
197.04367	1.5
211.13319	2.9
215.05501	3.7
229.14359	31.2
233.06618	1.9
238.58900	0.7
267.15918	100.0
271.06076	1.5
285.16971	75.2
287.05573	6.5
287.08542	1.3
309.17072	1.2
323.14844	0.8
341.19583	23.1
359.20648	42.3
407.17087	1.3
425.18161	3.4
431.19199	0.8
443.19434	2.0
481.20712	0.9
499.21713	1.5
517.22736	5.3
535.23944	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	535.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.01868	4.0
55.05511	9.7
57.03441	21.4
61.02918	1.0
65.03952	1.8
67.01886	0.9
67.05507	32.9
68.99791	1.1
69.00500	0.7
69.03424	6.2
69.07072	12.7
69.38656	2.6
69.39083	2.2
71.01359	18.1
71.04992	3.9
73.02921	23.5
75.04492	4.4
77.03834	0.7
79.05492	21.4
81.03419	2.3
81.07059	93.4
83.01348	3.5
83.04986	7.9
83.08630	8.9
85.02909	39.8
85.06542	4.5
90.08443	0.6
91.05483	33.4
93.07052	17.0
95.01336	18.6
95.04950	4.6
95.08607	21.2
97.02888	7.7
97.06531	9.4
97.10167	1.0
98.20757	1.4
99.00830	4.0
99.04492	0.8
99.08076	5.6
101.02372	7.8
101.06026	1.6
103.03951	6.2
105.07035	47.2
107.04933	0.9
107.08602	16.8
107.09303	1.1
109.02939	0.9
109.06518	6.1
109.10175	2.8
111.00801	0.8
111.08092	2.2
112.55576	0.6
113.02367	18.9
113.05998	2.0
115.05486	0.6
117.07011	0.7
119.08590	34.3
121.10149	21.9
123.00838	1.3
123.04453	1.7
123.08076	5.3
123.10821	1.5
123.11718	27.8
127.03932	1.6
127.07619	3.3
129.07042	1.9
131.03427	7.0
131.08578	2.6
133.10146	4.8
135.11777	0.9
137.05940	0.8
137.09633	1.4
137.13268	2.9
139.11314	0.7
141.01831	27.7
141.09117	1.4
145.10155	1.5
147.11691	94.1
149.09691	0.9
149.62744	0.7
151.03964	0.8
153.05486	4.1
157.10150	5.7
159.02907	4.8
165.12762	51.3
169.04980	1.3
171.06567	0.7
175.11192	6.5
183.13811	10.2
193.12244	7.8
197.04367	1.5
211.13319	2.9
215.05501	3.7
229.14359	31.2
233.06618	1.9
238.58900	0.7
267.15918	100.0
271.06076	1.5
285.16971	75.2
287.05573	6.5
287.08542	1.3
309.17072	1.2
323.14844	0.8
341.19583	23.1
359.20648	42.3
407.17087	1.3
425.18161	3.4
431.19199	0.8
443.19434	2.0
481.20712	0.9
499.21713	1.5
517.22736	5.3
535.23944	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	535.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	7.6
59.00011	1.5
61.02923	4.1
64.00739	1.3
65.03935	1.9
67.05492	4.7
69.03436	3.0
69.07054	2.0
69.29300	1.3
71.04985	1.6
71.33624	1.3
71.52398	1.8
74.06055	1.8
79.05483	4.2
81.03410	2.2
81.07050	8.0
83.04984	2.0
84.04519	2.2
85.02904	4.0
85.06535	2.3
89.56599	1.3
91.05476	5.4
93.07020	3.7
95.04951	2.0
95.07359	1.4
95.08618	4.1
97.02888	3.5
97.06556	1.5
97.53622	1.4
99.08102	1.9
101.06010	2.0
105.07041	4.3
106.06660	1.5
107.04941	4.4
107.08608	2.8
109.02872	2.0
109.10177	1.6
119.04953	8.7
119.08612	2.3
119.27405	1.5
121.02871	37.6
121.10127	2.6
127.03955	1.9
135.04433	1.7
135.11711	2.4
137.09584	2.1
145.02821	5.0
147.04419	2.7
159.11615	1.5
163.03926	1.9
171.04414	2.3
173.02319	2.1
177.01845	4.6
177.05493	2.3
179.03307	1.7
187.03976	2.2
189.01823	6.4
189.05467	2.2
190.02562	1.7
191.03377	4.6
192.37877	1.7
195.02893	4.8
197.06065	1.6
199.03969	2.3
203.03342	14.1
205.05023	3.2
207.02911	4.4
215.03430	7.0
215.18123	1.8
217.04900	6.1
219.02890	3.6
221.04390	2.9
225.05521	1.8
227.03378	2.9
229.05000	2.2
231.02873	2.4
233.04460	4.4
241.04878	1.9
243.02882	4.9
243.06577	2.0
245.04462	2.5
255.02777	1.8
267.06421	2.5
268.07288	2.6
269.04419	1.9
269.21072	3.7
273.12744	1.7
274.12793	2.5
279.06454	2.6
280.07291	2.7
281.04678	3.2
281.08160	4.4
283.05988	3.7
284.06799	1.9
291.06418	2.1
292.07294	3.4
293.08157	4.8
294.05234	14.1
295.06021	52.0
295.09366	2.8
296.06717	6.5
297.07602	5.1
299.05637	2.7
305.08112	2.2
306.08749	3.2
307.02664	3.1
307.06036	45.6
307.09467	2.9
308.06744	11.7
309.07520	17.8
313.06949	2.9
317.08032	5.7
319.05994	7.5
320.06555	8.7
321.07605	43.1
322.04773	1.7
322.08331	5.0
323.05783	1.9
323.09003	7.3
325.07074	47.7
329.08182	3.2
331.06107	1.8
333.07565	22.0
334.08319	5.2
335.05527	3.1
335.09094	16.1
336.06161	5.7
337.03180	3.1
337.07083	45.8
337.11096	2.7
339.08627	5.4
345.07623	15.7
347.09198	5.9
348.05960	1.9
349.07059	45.1
351.08649	20.3
355.08200	5.7
359.08844	3.5
361.07068	25.8
361.11215	2.5
363.08621	26.8
367.08133	9.3
371.09177	3.1
373.06970	15.5
375.08640	11.8
377.10471	2.1
379.08148	66.3
385.09140	1.8
387.08737	7.0
389.10474	3.3
391.08170	52.5
393.09647	5.4
397.09238	41.3
399.08609	4.6
403.07861	9.6
405.09753	8.1
409.09213	58.9
415.08972	11.1
417.09592	7.7
421.09152	5.7
427.10330	41.9
433.09198	21.0
439.09802	1.6
445.09930	20.0
450.87051	1.5
451.10220	24.3
463.10278	22.1
469.11404	38.8
481.11325	100.0
499.12411	78.4
503.21042	2.3
517.13458	29.4
535.14423	7.0
535.23560	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	535.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	10.2
55.05495	4.6
56.05012	1.7
57.03425	1.3
59.04987	1.4
61.02912	4.9
67.05505	5.1
69.03432	4.4
69.07063	3.1
71.04987	3.7
71.44703	2.0
73.02907	1.8
74.06053	2.1
79.05500	5.8
81.03407	4.9
81.07063	13.6
83.04981	3.4
85.02917	7.6
85.06553	3.6
85.57982	1.4
87.00855	1.9
91.05471	4.4
92.47328	1.2
93.03401	1.9
93.07061	8.7
93.61135	1.6
95.04978	4.4
95.06214	1.4
95.08603	7.7
97.02872	3.9
97.06529	3.1
99.04395	1.2
101.05994	3.8
103.05434	1.7
105.07011	5.3
107.04934	3.2
107.08579	4.6
107.18797	1.3
109.02900	2.5
109.06538	3.4
109.10143	6.0
111.08047	2.8
119.04960	9.9
119.08564	3.9
121.02877	49.2
121.06497	2.0
121.10144	5.7
123.08097	1.9
125.09697	2.3
127.03917	3.0
131.04918	2.1
131.08600	1.6
133.10129	4.2
135.11685	3.9
137.06026	3.0
143.08644	1.5
145.02815	5.6
145.10132	1.8
147.04350	2.4
147.11676	1.4
150.12799	1.7
151.03900	1.6
159.04344	1.7
161.05965	1.6
163.03906	3.3
167.06961	2.4
175.03894	2.2
177.01794	5.1
177.12750	1.8
179.03325	2.0
187.03957	3.8
189.01822	10.8
189.05432	2.0
191.03435	3.8
195.02904	6.1
199.03912	2.2
201.01814	1.7
201.05505	1.9
203.03407	17.7
205.04971	3.3
207.02901	8.6
213.01830	1.7
213.05603	2.0
215.03421	11.7
215.05141	2.0
215.18018	2.0
217.05000	6.0
219.02861	4.6
221.04515	2.6
225.12505	1.3
227.03363	4.1
229.05028	1.7
231.02856	2.0
233.04471	3.8
233.19034	2.2
241.04706	1.7
243.02870	4.5
245.04539	2.9
251.19978	1.6
257.04483	2.6
266.05603	1.8
267.06543	2.5
268.07382	2.9
269.18634	2.5
269.21140	6.1
271.05801	1.6
273.04071	2.6
273.12723	3.5
274.12930	1.9
279.06500	4.9
280.07324	1.7
281.05130	1.6
281.08154	5.5
283.05963	5.3
287.05524	3.3
287.22086	3.3
290.09808	1.5
291.06631	3.6
292.07306	3.1
293.08133	4.4
294.05212	18.4
295.06046	66.8
296.06769	6.3
297.07593	7.5
299.05649	1.7
305.07965	4.0
306.09067	1.8
307.06015	51.6
307.09412	2.1
308.06769	15.0
309.04099	2.2
309.07559	20.1
313.07065	5.7
317.08057	5.1
318.08786	2.4
319.06024	9.8
319.22659	3.7
320.06845	9.7
321.03836	2.8
321.07590	45.7
322.04916	1.6
322.08325	4.3
323.09100	6.2
325.07089	48.5
329.08121	4.2
331.05865	2.0
331.09702	1.6
333.07574	29.3
334.08240	6.6
335.05508	2.4
335.09116	16.2
336.06259	3.9
337.07080	49.4
337.23727	3.0
339.08627	5.7
342.09134	1.6
345.07642	18.8
347.09097	7.7
348.06274	2.7
349.07074	42.9
350.07968	2.1
351.08630	23.2
355.07999	6.9
359.09140	4.3
361.07068	28.3
361.11230	3.0
362.07620	2.3
363.08624	30.7
367.08109	13.3
371.08994	1.9
373.07050	17.4
375.08813	12.3
379.08142	73.2
385.08774	2.4
387.08762	8.6
389.10233	4.7
391.08148	59.0
393.09698	5.1
397.09186	43.4
399.08813	6.8
403.08148	12.6
405.09705	6.5
409.09204	65.9
415.08655	11.5
417.09875	7.0
421.09113	7.8
427.10324	51.9
433.09225	20.3
434.78485	1.4
439.09702	1.5
445.10028	22.1
451.10184	21.6
463.10245	25.0
469.11325	42.6
481.11343	100.0
499.12402	91.3
503.20685	2.0
517.13391	29.0
535.14368	7.3
535.23254	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	535.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	11.9
55.05530	5.3
57.03444	3.6
57.92384	2.9
60.11677	2.9
61.02938	3.6
65.03955	2.8
67.05504	8.1
67.95661	3.1
69.03442	3.8
69.07079	3.5
70.06592	5.8
71.52573	5.6
72.08128	3.5
75.93591	2.9
79.05508	3.9
81.07060	10.0
83.04986	3.2
85.02908	10.1
91.05492	11.5
93.07034	6.7
95.04985	3.0
95.08620	6.7
97.02887	5.8
97.06556	5.1
99.08075	4.9
105.07059	6.0
107.04954	5.6
107.08601	6.1
109.02928	5.5
109.06521	3.8
109.10159	7.4
119.04946	10.3
121.02872	43.7
121.10151	7.0
127.03907	4.1
131.04990	4.6
133.06567	3.6
137.06007	7.7
145.02881	7.1
149.09656	4.8
158.34787	3.0
161.05986	4.4
167.07082	13.3
187.03879	3.9
187.07545	3.4
189.01877	9.2
191.03394	5.4
203.03412	15.5
207.02972	6.5
215.03398	7.2
217.05002	7.5
219.02835	4.1
221.04369	6.8
241.05153	4.9
243.02785	6.4
251.19911	3.4
261.03995	4.6
273.03937	3.8
279.06415	5.7
281.07983	5.7
283.05771	4.2
287.05539	5.6
292.07437	4.2
294.05286	11.1
295.06024	65.2
296.06683	4.7
297.07574	7.8
305.07889	3.9
307.06046	48.4
308.06778	16.3
309.07623	13.9
313.07065	5.1
317.08084	5.3
319.05969	7.8
319.22720	4.2
320.06787	9.2
321.07648	49.5
322.08139	6.2
323.09189	6.9
325.07056	49.3
329.08188	7.4
333.07565	32.7
335.09116	19.5
336.06384	5.5
337.07156	47.2
337.23752	4.9
339.08466	4.1
345.07611	18.2
347.09238	11.0
349.07111	45.2
351.08682	23.9
355.08063	5.0
355.24692	4.0
359.09317	3.6
361.07159	30.3
363.08691	30.1
367.08194	9.2
371.08884	3.7
373.07123	21.9
375.08582	13.8
379.08154	76.3
387.08798	7.3
389.10382	5.4
391.08167	57.1
393.09552	5.7
397.09201	44.1
399.08795	6.0
403.08246	14.7
405.09619	10.4
409.09238	68.6
415.08994	10.1
417.09729	6.9
421.09137	6.3
423.29727	3.1
427.10318	60.7
433.09244	34.0
445.09830	28.1
451.10257	34.4
463.10196	20.6
469.11353	76.1
472.17267	4.1
481.11359	100.0
499.12448	98.1
517.13422	39.1
535.14099	18.8
535.22046	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	534.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	63.2
57.03415	2.1
57.07073	4.3
59.60291	1.7
67.05526	12.8
69.07074	16.1
70.65455	4.5
71.08657	2.2
75.03314	1.8
75.32450	2.0
79.05493	6.3
81.07070	17.3
81.73628	1.9
83.04960	2.5
83.08145	4.0
83.08624	69.7
91.05476	14.5
93.07063	9.6
94.07372	2.0
95.08632	15.3
97.06514	3.2
97.10178	15.2
105.07015	5.7
107.08586	7.6
109.10184	10.4
111.08100	3.0
111.11725	5.0
119.04961	17.6
119.08618	5.8
121.10150	7.6
123.11713	4.7
132.10306	2.0
133.10123	7.1
135.11751	8.7
137.13275	2.7
137.94588	1.7
140.78058	2.2
147.04425	100.0
147.11711	5.0
149.13263	2.5
151.11211	2.5
153.12643	2.1
157.89549	1.6
161.13229	2.7
165.05507	5.7
165.12779	2.5
175.14912	2.3
179.14369	3.7
217.19577	12.3
219.17506	2.5
235.20615	20.8
253.21602	35.5
271.22714	20.1
300.83151	1.8
353.30325	11.5
417.26660	2.3
417.79343	2.1
516.37708	7.5
534.38397	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	534.364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40490	2.7
50.88197	2.4
52.27502	2.5
53.03935	2.9
55.01870	4.1
55.05515	20.6
55.05741	4.2
57.03431	7.5
57.07069	12.1
58.68839	2.9
60.08167	4.9
61.02921	4.8
67.05511	73.5
69.07073	28.0
69.86962	11.3
71.07379	3.5
71.08636	7.8
73.02921	3.2
79.05500	26.1
81.07061	100.0
83.04971	4.9
83.08633	19.1
85.02913	5.2
85.06559	3.2
86.09708	18.0
91.05485	14.7
93.07038	24.7
95.08610	80.6
97.02901	6.7
97.06523	6.4
97.10196	17.4
98.09710	4.2
104.10751	39.7
105.07022	14.4
107.08598	23.5
109.10155	43.7
111.08089	4.9
111.11700	3.7
113.09621	4.0
116.08800	2.8
119.08584	11.5
121.10156	24.7
123.11716	22.4
125.00036	8.5
125.09579	3.1
133.10121	18.2
135.11684	13.5
137.13248	9.0
147.11684	11.6
149.13269	11.9
151.11127	3.2
151.14841	8.3
155.14372	4.9
161.13272	18.6
163.14799	13.7
165.16394	11.2
175.14859	12.6
175.59509	2.6
179.17949	7.9
183.88148	3.1
184.07343	33.5
187.51993	2.7
189.16360	3.6
193.15886	3.8
196.07330	5.9
203.17911	3.0
245.22681	80.3
255.80301	3.2
263.23721	90.9
281.55759	3.9
337.27347	78.8
355.28445	11.9
388.39096	3.2
534.35809	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	534.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.6
56.05038	0.6
57.03450	0.8
58.06603	0.9
59.07375	0.7
60.08167	18.7
61.79202	0.5
67.05508	2.7
69.07065	1.0
71.07381	6.2
71.53381	0.8
79.05494	2.5
81.07069	2.1
82.53258	0.5
86.09711	53.6
91.05504	2.0
93.07056	2.3
95.04974	0.6
95.08624	1.4
98.98484	3.1
101.83537	0.5
104.10752	100.0
105.07053	1.5
107.08588	1.1
109.02837	0.7
117.07063	0.7
119.08567	0.7
121.10128	0.7
121.48589	0.5
125.00011	30.2
131.08551	1.1
166.16660	0.6
184.07353	98.5
194.19748	0.5
258.10934	0.7
306.92908	0.7
311.09494	0.6
360.92502	0.5
498.30084	6.5
516.30884	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	534.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.5
56.40400	0.2
58.06593	0.5
60.07882	0.4
60.08169	6.5
67.05502	0.5
69.07078	0.3
71.07379	2.7
71.53506	0.3
72.15633	0.2
79.05483	0.5
81.07047	0.8
85.02901	0.3
86.09711	31.6
90.83602	0.2
91.05471	0.7
93.07057	0.5
98.98471	2.5
104.10753	3.1
105.07030	0.3
107.08598	0.5
113.24394	0.2
115.98129	0.2
119.08611	0.5
125.00013	20.1
155.86438	0.3
184.07353	100.0
279.67029	0.3
314.43622	0.2
465.64145	0.3
479.10950	0.3
498.29697	1.0
516.30884	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33628	0.4
55.01661	0.5
55.01877	4.6
55.05508	1.3
56.04817	0.4
56.05040	4.6
56.54645	0.4
57.03435	0.5
58.99582	4.7
67.05504	6.0
68.05025	0.8
69.03447	0.5
69.07064	2.1
70.02967	1.3
70.06595	1.0
70.70333	1.1
70.70683	0.8
71.04997	1.0
72.04517	2.5
73.01145	0.8
73.02919	0.6
74.00670	1.8
76.01833	0.9
76.02235	11.2
79.05496	3.0
80.05009	1.4
81.07065	7.2
82.06587	0.8
83.04993	0.7
83.06093	1.3
83.08619	1.3
84.04515	5.0
84.08156	0.5
85.01122	1.0
85.02911	0.7
86.00650	4.0
86.99061	2.7
87.02691	1.4
88.02206	2.8
88.56336	0.4
90.05567	5.2
91.05496	2.6
93.07047	5.2
94.06596	1.5
95.04999	0.5
95.08595	3.1
96.08156	0.9
97.01124	4.9
97.06539	1.8
97.10165	0.6
98.00627	0.5
98.06058	1.8
99.02665	1.1
100.02252	0.7
104.01702	5.6
105.07059	2.2
107.08607	2.9
109.10110	1.1
110.09678	0.5
111.02675	3.6
111.08084	1.1
114.03777	1.3
115.07574	0.8
116.00887	0.8
116.01689	11.6
116.07088	3.0
117.07014	1.4
119.08597	1.1
121.06497	0.6
121.10145	1.8
123.02649	0.9
125.04275	0.8
126.05524	5.1
129.06621	1.6
130.04997	2.0
131.08586	2.1
132.41096	0.5
133.10135	1.9
135.11722	1.6
137.04158	1.2
137.09691	0.5
141.06612	1.1
142.03242	2.5
144.06593	1.1
147.11720	1.3
149.09653	0.7
149.13287	2.3
151.11191	0.7
158.02724	27.4
159.07748	1.2
159.11745	2.7
173.13214	0.6
175.05452	1.0
176.03780	9.7
177.12784	2.4
181.06044	0.7
185.03851	0.8
187.05399	0.9
191.08957	1.5
193.06432	11.1
194.15393	1.9
195.13814	1.1
206.15474	0.6
207.12112	1.0
209.10013	1.1
212.16438	4.9
213.14934	0.6
215.04929	1.2
217.10542	0.7
218.15437	0.8
223.11488	0.6
224.14575	0.6
224.16493	1.1
225.13080	0.8
226.12611	1.5
227.11143	0.5
233.05835	0.9
235.11615	1.2
236.16368	0.6
240.93370	0.4
244.13719	0.7
246.15128	0.5
252.14151	7.1
253.12585	1.6
259.07431	1.0
270.15234	11.4
273.12692	0.8
280.13721	0.6
284.18652	5.0
285.07608	0.6
286.08179	0.5
287.05551	1.6
288.16324	9.8
322.10754	1.9
326.14105	1.0
369.18457	2.2
370.16864	1.0
387.19510	100.0
405.20612	4.5
427.18878	1.2
431.18887	1.1
445.20111	2.1
459.16858	0.6
516.23712	2.7
534.24860	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	533.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	3.3
51.40570	3.3
53.03932	7.5
55.01877	40.9
55.05513	46.1
57.03425	8.2
59.04996	3.4
65.03935	6.0
67.05176	5.6
67.05509	86.1
69.03432	6.1
69.07074	60.0
69.87756	16.9
71.04990	6.1
74.29813	3.1
79.05502	77.1
81.03398	8.0
81.07062	100.0
83.04974	13.7
83.08624	28.7
85.06547	9.3
91.05489	71.0
93.07051	72.4
95.04964	9.1
95.08607	69.3
97.06544	56.4
97.10210	18.6
98.21486	6.6
99.08095	5.5
103.05448	6.5
105.04498	4.6
105.07037	70.0
107.04940	12.1
107.08604	53.6
109.06536	8.3
109.10173	33.5
111.04454	4.0
111.08105	8.4
115.05429	5.4
117.07024	42.2
119.08582	55.2
121.06506	11.4
121.10138	37.6
123.08063	9.8
123.11681	13.3
125.09619	21.9
128.06218	5.0
129.07034	24.3
131.08575	62.6
133.06503	7.2
133.10144	39.8
135.08055	13.0
135.11688	23.7
137.09610	5.3
137.13240	4.2
139.11247	4.9
141.06995	10.0
143.08577	33.4
145.06506	5.4
145.10129	51.1
147.08061	8.7
147.11736	26.4
149.09636	17.5
149.13266	5.8
151.11147	7.4
153.09099	8.2
155.08557	17.9
157.10121	19.3
159.11688	25.1
161.09653	7.5
161.13243	9.7
163.11263	7.4
165.12708	4.5
167.08549	4.2
169.10103	22.0
169.44174	3.3
171.11681	23.8
173.09535	3.4
173.13272	16.9
175.11212	11.1
175.14977	7.9
177.12787	4.2
181.10118	9.1
183.11656	15.7
185.13280	14.4
187.11131	4.2
187.14813	8.3
189.12743	3.6
192.62546	4.0
195.11728	9.3
197.13261	16.2
199.14778	8.1
203.12796	10.8
207.11670	6.2
209.13252	8.6
211.14787	5.0
213.16495	5.0
223.14871	8.0
255.15689	5.4
261.22235	3.8
272.61948	3.5
275.20065	14.9
277.21768	3.5
289.21674	7.5
291.19656	3.8
291.23148	4.4
295.20807	3.9
303.22830	3.8
307.22696	6.5
315.23218	9.7
321.22116	8.0
329.24579	5.0
333.24084	6.0
339.23209	9.8
341.24963	4.4
353.24573	4.8
357.24261	6.7
371.25824	6.1
389.26901	13.8
403.28482	11.9
405.31174	3.5
421.29587	5.8
423.32318	6.7
433.30954	21.3
451.32144	24.1
455.35101	3.9
459.34650	4.3
465.33578	13.7
469.33057	7.1
483.34723	42.9
487.38144	4.2
497.36118	21.9
501.35605	15.3
515.37463	49.1
533.25238	6.8
533.38721	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	533.1297
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
53.03943	0.1
56.82976	0.1
67.05495	0.2
68.99815	0.2
69.03426	0.3
70.65568	0.3
79.05486	0.2
81.03416	0.3
81.07053	0.1
85.02904	0.4
91.05480	0.2
93.07101	0.1
95.04987	0.2
95.08633	0.1
97.02904	0.2
99.04466	0.2
103.05464	0.1
103.45279	0.1
105.07006	0.2
107.04956	0.2
109.02871	0.3
115.75588	0.1
118.04171	0.9
119.04966	0.2
119.08597	0.2
119.33710	0.1
121.02839	0.2
123.04433	1.8
124.01591	0.6
127.03916	0.4
133.06493	0.4
139.03906	0.3
145.04999	0.1
145.06483	0.2
149.02354	2.1
151.03937	0.1
152.01056	2.1
153.01828	1.2
158.03668	0.5
159.02957	0.1
161.09656	0.1
168.05669	0.1
169.06479	0.2
170.02118	1.9
177.88583	0.1
179.03354	0.5
196.05484	0.1
197.05988	0.4
199.07623	0.1
213.05472	0.9
214.06250	0.2
215.06973	0.2
229.08615	3.3
241.04990	0.3
242.05766	2.7
252.04202	0.4
253.04976	2.6
255.06644	0.1
257.08194	0.2
269.04437	2.1
270.05240	5.0
273.18756	0.1
285.07587	100.0
286.07971	0.8
418.76526	0.1
447.12833	0.5
489.46982	0.2
533.13013	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1295
Annotation	Apigenin 7-methyl ether 5-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.89555	0.1
53.03952	1.2
55.01878	1.1
57.03439	1.0
61.02932	1.1
67.01870	0.2
68.99793	1.2
69.03436	8.1
69.54087	0.1
71.01337	0.3
71.04996	0.8
73.02927	1.1
81.03425	6.3
85.02912	11.5
87.00840	4.8
87.04469	0.3
91.03939	0.2
91.05496	0.8
97.02898	3.6
98.21507	0.4
99.04457	2.2
101.02402	0.3
103.03957	0.6
105.01887	2.0
107.04945	0.2
109.02139	0.2
109.02889	4.9
117.01804	0.4
117.02559	0.2
119.04945	0.3
121.02811	0.2
127.03932	8.0
129.01852	1.1
131.04919	0.2
135.04440	0.2
141.06908	0.1
145.02892	0.8
145.04959	2.0
147.02870	0.5
159.02893	1.8
159.04366	0.5
163.03917	1.3
165.06924	0.1
167.03418	3.4
168.05856	0.2
169.06441	0.3
179.03331	0.2
183.08127	0.2
186.06812	0.2
187.05978	0.2
189.03989	0.3
196.05278	0.1
197.06046	0.3
200.72473	0.1
201.09105	0.4
204.08238	0.1
211.07552	0.6
213.03847	0.3
214.06232	0.5
224.04668	0.3
226.06194	0.2
229.08614	3.6
231.05032	1.0
239.07100	0.5
242.05740	1.8
252.04236	0.2
253.08655	0.3
255.06618	0.2
257.08084	1.9
267.06516	1.3
268.07315	0.5
269.08054	0.4
270.05084	0.6
283.05896	0.3
285.07590	100.0
286.07962	0.5
297.07660	0.2
309.07672	1.0
313.07391	0.2
321.07349	0.2
323.09152	0.2
327.08627	2.2
339.08673	0.2
447.12866	0.4
533.12958	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1294
Annotation	Apigenin 7-methyl ether 5-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
60.43435	0.1
67.01846	0.1
68.99796	0.1
69.03407	0.1
70.66103	0.2
73.02908	0.1
81.03389	0.1
85.02885	0.1
87.00802	0.1
97.02879	0.1
109.02834	0.1
116.58880	0.1
127.03842	0.1
133.05588	0.1
133.06487	1.0
135.04408	0.2
153.01837	1.1
159.04425	0.1
162.68274	0.1
171.02902	0.1
177.05437	0.1
242.05742	11.4
243.06337	0.2
256.46658	0.1
257.08163	0.1
270.05231	10.7
285.07574	100.0
286.07932	0.7
301.07269	0.1
447.06644	0.1
447.12881	2.0
489.14111	0.3
515.11560	0.3
533.12988	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	532.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
53.26880	1.6
55.05513	65.2
67.05509	38.2
69.07066	7.8
71.04975	1.9
71.14094	3.2
74.94530	2.1
78.04271	1.5
79.05487	12.4
81.07066	43.7
83.08619	83.2
84.08971	2.0
87.04463	2.0
91.05479	19.0
92.05828	1.6
93.07050	11.3
93.95727	1.5
95.08611	40.7
97.06528	4.9
97.10182	5.4
105.07026	4.1
107.08611	9.6
109.10165	24.0
111.08102	2.1
117.07064	1.8
119.04960	28.7
119.08567	8.4
121.10154	16.0
122.10470	2.3
123.11701	11.4
131.08594	3.7
133.10161	12.3
135.11684	13.0
136.44453	1.7
137.09586	1.8
137.13222	4.1
145.10143	4.0
147.04416	100.0
147.11691	4.9
149.13243	7.8
151.11185	6.1
155.10646	1.8
159.11684	3.0
163.14844	2.5
165.05466	13.3
169.12225	4.2
173.13310	3.5
215.17928	15.8
233.19009	15.0
237.18518	3.2
251.20090	65.1
251.22723	3.8
269.21173	7.3
275.23773	3.0
327.76370	1.9
333.27887	13.4
351.29031	6.2
380.75763	1.9
474.74457	1.8
525.74292	1.8
532.38831	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1294
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
50.12722	0.1
54.06215	0.1
63.48891	0.1
63.98024	0.1
67.05472	0.1
69.03410	0.2
69.03857	0.1
70.06558	0.1
71.53976	0.1
71.68378	0.1
81.03383	0.2
81.06979	0.1
85.02892	0.2
86.25649	0.1
91.05465	0.1
93.06985	0.1
95.08590	0.1
96.27310	0.1
97.02885	0.1
97.06525	0.1
106.04177	0.1
107.04920	0.1
109.10095	0.1
110.09631	0.1
121.06481	0.1
121.10146	0.1
127.03909	0.2
129.06963	0.1
130.07848	0.1
133.10120	0.1
134.03636	2.1
137.02342	5.7
138.09070	0.1
138.82603	0.1
141.07011	0.6
145.10014	0.1
149.05933	0.1
154.02620	0.1
155.04843	0.2
157.06436	0.1
166.08597	0.3
168.05637	0.1
169.06502	0.7
175.03813	0.2
181.06535	0.4
183.04359	0.4
185.05951	0.2
186.06729	0.5
187.03917	0.1
197.05991	1.6
213.05470	2.6
214.06258	3.3
216.88829	0.1
225.05472	6.6
229.08611	1.2
241.04980	0.2
242.05753	0.8
253.04973	6.8
257.08081	0.4
269.04443	1.9
270.05231	17.6
271.05615	0.1
285.07574	100.0
286.07938	0.7
316.92715	0.1
317.21246	0.1
335.22125	0.1
362.09183	0.1
368.10065	0.1
533.12891	1.3
533.20221	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	530.333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71314	1.5
53.03941	3.5
55.01860	6.0
55.05270	2.1
55.05511	32.4
57.03435	18.7
57.07067	2.6
59.05000	2.2
59.94556	1.3
65.03928	3.4
66.04728	1.6
67.05507	100.0
69.03405	3.3
69.07070	19.9
71.05001	11.8
73.02896	4.0
77.03908	1.4
79.05499	42.1
81.03422	13.1
81.07059	87.6
83.04988	10.2
83.08621	21.2
85.02892	7.8
85.06525	7.1
87.04464	4.4
91.05484	33.2
93.07045	45.0
95.04958	6.2
95.08607	25.6
97.02921	3.0
97.06546	11.3
97.10175	13.3
99.08099	2.9
105.07033	16.2
107.04942	3.0
107.08595	28.9
109.06488	3.1
109.10162	35.8
111.08057	6.9
111.11760	1.7
111.97935	1.4
112.02121	1.6
116.35056	1.3
117.07012	10.4
119.08572	10.5
121.06513	3.4
121.10140	12.5
123.08028	2.4
123.11707	7.6
125.09637	14.5
129.05481	3.8
129.07028	2.7
131.08554	10.1
133.10136	16.6
133.66313	1.6
133.67372	1.3
135.08040	1.8
135.11699	12.7
137.09604	2.5
143.10719	2.1
145.10059	4.9
147.11688	2.8
149.09518	1.9
149.13263	18.3
151.11185	5.5
153.12779	2.2
155.10667	3.9
159.11685	10.1
163.11214	8.7
165.12801	1.4
166.13548	2.4
173.11784	11.0
177.12708	4.9
181.12263	2.3
183.13745	1.9
185.11728	2.1
187.13274	1.9
191.10632	1.4
193.12155	2.9
195.13837	16.4
199.13364	7.2
209.11740	5.4
225.14737	1.6
227.12685	5.8
229.14372	41.1
267.15909	2.4
269.17511	49.7
269.20438	1.6
301.16403	7.8
301.20059	6.8
393.26166	1.7
397.92368	1.8
411.27295	4.6
423.27313	16.6
437.28934	23.4
451.30405	3.6
463.14697	1.5
463.30545	24.5
495.29077	7.3
495.33493	5.9
513.30798	10.9
518.46375	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	530.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.1
55.01873	7.3
55.05265	2.5
55.05515	36.5
57.03436	19.4
57.07079	1.7
59.05013	3.0
64.48836	1.5
65.03926	3.8
67.05507	100.0
69.03434	3.3
69.07069	20.1
70.97956	3.2
71.01357	1.6
71.04994	6.5
73.02920	6.5
73.35275	1.5
73.82320	1.6
79.05493	48.4
81.03417	15.9
81.07058	83.3
83.04982	10.4
83.08617	24.9
85.02912	12.3
85.06550	4.3
87.04474	5.0
87.57264	1.6
89.08102	1.6
91.05484	36.1
93.07051	44.0
95.04984	8.9
95.08611	26.6
97.02928	3.3
97.06548	8.4
97.10175	18.4
99.08057	2.2
103.03954	2.0
105.07024	14.8
105.65762	1.5
107.04968	5.6
107.08592	29.1
107.09282	1.9
108.15833	1.3
109.06516	3.6
109.09391	2.2
109.10148	46.0
109.78732	1.5
111.04456	2.3
111.08080	6.6
117.07030	10.8
119.08608	14.7
121.06511	3.6
121.10159	12.5
123.08041	2.9
123.11687	2.9
125.09643	21.1
129.05463	6.2
129.07008	3.3
131.08562	10.9
133.10139	20.4
135.08000	2.1
135.11700	13.6
137.09651	2.4
142.57114	1.7
145.10133	4.6
147.11713	4.2
149.13258	16.4
151.11145	1.5
153.12761	3.3
155.10663	6.9
159.11655	7.7
163.11206	10.9
173.11729	14.2
177.12752	5.4
181.12254	2.5
185.11772	2.4
191.10710	2.4
193.12239	2.4
195.13803	22.4
199.13303	12.1
209.11766	10.2
213.14867	2.4
227.12752	7.7
229.14368	52.4
239.16339	1.9
257.13754	2.2
267.15927	3.0
269.17484	59.5
283.15421	3.0
296.15543	1.5
301.16498	17.2
312.21899	1.7
393.26523	3.8
411.27429	5.6
423.27368	17.3
495.29507	22.9
513.30646	19.7
530.39545	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	530.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.1
55.05512	11.8
57.03439	9.0
59.04712	1.8
59.05005	30.8
61.02922	1.9
66.01221	0.7
67.05506	45.1
69.03422	2.6
69.07061	3.2
70.06593	1.8
71.01331	1.0
71.05002	4.3
71.07534	1.9
73.02922	0.8
75.73378	0.7
79.05477	4.0
81.03414	2.7
81.07066	9.4
83.04980	1.8
83.08617	5.9
85.02892	4.3
85.06535	1.8
86.06078	2.4
87.04471	55.9
91.03984	1.1
91.05482	4.2
93.07059	4.9
95.04986	1.6
95.08620	5.2
97.02883	1.8
97.10172	5.5
99.04455	3.3
99.96744	0.7
103.03920	1.7
105.07032	1.3
107.04951	1.9
107.08602	4.1
109.02831	0.9
109.10159	52.6
111.08096	2.1
119.08587	3.7
121.10188	1.0
124.07609	1.0
125.09637	6.3
127.03931	1.5
131.08624	1.0
135.11688	1.1
137.09627	3.0
143.10706	0.9
145.05005	1.3
145.10133	1.4
155.10645	8.4
163.11188	1.6
173.11739	33.8
181.92212	0.8
185.37131	0.9
186.12334	0.8
193.12219	2.4
217.14374	1.6
229.14357	100.0
257.13901	6.5
333.19019	5.2
436.18726	1.7
468.20914	1.2
477.23611	3.9
494.18866	1.0
495.24274	0.9
498.19113	0.9
512.20233	4.7
530.21521	0.9
548.02393	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.01887	2.5
55.05515	18.8
57.03439	14.8
59.05006	34.0
59.87955	1.3
61.02925	3.4
67.05509	62.0
69.03447	3.4
69.07063	4.3
70.06580	1.4
70.61119	4.0
71.05007	5.9
72.08159	1.7
73.72040	1.1
73.84358	1.0
79.05484	4.7
81.03417	3.4
81.07068	12.6
83.05007	2.5
83.08630	9.7
85.02894	5.4
85.06560	3.4
87.04475	66.4
91.03946	2.0
91.05479	4.8
93.07050	4.5
95.04968	2.0
95.08617	4.4
97.02886	4.2
97.10179	9.2
99.04456	5.2
103.03960	2.9
105.07005	1.9
107.04927	2.7
107.08619	3.8
109.10165	59.0
110.07104	1.7
111.04500	1.5
111.08086	2.3
119.08595	4.5
121.10131	2.4
125.09646	10.8
137.09615	3.2
143.10771	1.3
155.10683	10.8
163.11211	1.6
173.09492	1.4
173.11757	32.6
185.98360	1.2
191.10760	1.6
192.10254	2.1
193.12241	2.7
199.13431	1.8
217.14377	2.7
229.14368	100.0
230.14989	1.3
257.13892	9.3
333.19162	7.5
369.78210	1.4
477.23273	4.2
490.00760	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.4
55.01867	2.0
55.05518	14.3
57.03432	3.0
57.07077	1.1
64.09924	0.7
64.21961	0.7
65.03947	1.9
67.05509	46.9
69.03458	1.1
69.07074	15.6
71.04990	2.9
73.68921	0.7
77.03942	1.5
79.05499	38.3
81.03425	2.8
81.07063	48.3
83.04984	3.2
83.08629	11.5
85.06557	2.2
87.04437	1.0
91.04916	1.0
91.05483	26.9
93.07050	40.6
93.52541	0.8
95.04977	4.2
95.08614	30.9
97.06529	5.5
97.10168	2.9
99.08119	1.9
105.04556	1.8
105.06496	0.5
105.07043	18.7
107.08602	21.6
107.09311	1.6
109.06566	2.0
109.10160	8.4
111.08106	3.8
115.05391	0.9
117.07030	7.8
119.08587	13.2
121.06512	1.5
121.10163	12.4
123.08064	1.8
123.11725	3.3
125.09652	1.1
128.06230	1.5
129.07059	3.9
131.08575	14.6
133.10135	13.0
135.08061	1.3
135.11693	11.5
141.06987	1.3
143.08603	4.9
145.10133	12.4
147.11714	4.8
149.09689	1.4
149.13283	12.2
151.11214	1.2
155.08591	2.8
157.10178	5.4
159.11699	12.7
161.13309	3.3
167.08635	1.0
169.10214	2.4
171.11739	3.7
173.13216	6.1
175.14897	1.2
177.12775	2.0
181.10153	1.1
183.11765	2.8
185.13322	3.6
187.14835	2.0
189.16388	0.9
195.11981	1.7
195.13879	5.1
197.13246	1.9
199.14896	2.4
201.16553	1.0
209.13306	1.5
210.17668	0.8
211.14845	1.5
213.16405	0.9
223.14912	1.1
239.18060	1.4
261.22186	2.2
269.17548	1.0
275.20135	1.0
311.23752	1.1
327.23083	1.0
409.09937	1.0
419.33505	2.0
437.34210	10.8
455.35367	2.9
493.37341	1.0
511.37918	5.4
529.38965	100.0
540.62195	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01907	0.7
53.00301	0.7
53.03939	3.4
53.82742	0.7
55.01872	2.2
55.05515	11.3
57.03424	1.9
57.07074	1.6
65.03946	1.7
67.05508	44.9
69.03419	0.8
69.06726	1.1
69.07072	13.9
69.18870	3.6
69.19304	3.6
71.04988	2.7
71.08633	1.2
79.05499	35.1
81.03419	12.1
81.07062	45.9
83.04987	3.1
83.08623	9.3
85.06554	2.4
91.05489	22.9
93.07050	36.5
95.04971	8.3
95.08613	27.2
97.06545	4.3
97.10175	2.5
98.20758	1.2
99.08087	1.7
105.04549	1.3
105.07041	15.7
107.04945	1.1
107.07894	0.8
107.08606	16.3
109.06522	1.4
109.10181	7.6
111.08099	4.0
111.11700	0.7
113.09541	0.9
115.05463	1.0
117.07023	8.1
119.08587	12.7
121.06500	1.6
121.10146	16.4
123.08099	0.8
123.11697	3.8
125.09641	1.3
128.06294	1.0
129.07019	3.7
131.08566	12.8
133.06541	0.9
133.10123	10.1
133.10985	1.1
135.08069	1.6
135.11700	7.3
137.09657	0.8
137.13257	1.2
143.08597	3.5
145.10147	8.4
147.08113	0.7
147.11690	4.6
149.13271	10.9
155.08589	1.9
157.10152	5.1
159.11699	7.1
161.13310	3.5
163.14833	1.0
169.10075	0.9
171.11700	2.2
173.13263	3.3
175.11183	2.0
175.14885	1.8
177.12796	1.5
179.14244	1.0
183.11693	1.4
185.13300	1.8
187.14844	2.4
193.12239	3.4
195.12112	0.8
195.13812	4.6
197.13289	1.8
199.14870	1.7
211.15033	0.7
212.37560	0.8
213.14792	1.3
223.14870	1.0
235.14949	0.8
243.21140	1.3
249.15009	0.9
261.22205	3.7
263.23828	1.0
317.24957	1.5
419.33328	1.3
437.34241	5.3
455.35168	2.3
473.36237	2.0
488.73331	0.7
493.36737	0.8
511.37830	2.2
529.38916	100.0
530.39264	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	529.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.6
53.03949	4.5
55.01874	2.1
55.05269	1.0
55.05514	15.2
57.03441	4.2
57.07082	4.9
59.04995	0.5
65.03937	2.7
66.50738	0.7
67.05509	47.6
69.03448	0.9
69.07074	18.5
69.87883	2.0
71.05001	3.3
71.08632	2.0
76.44364	0.5
77.03946	0.9
79.05496	36.0
81.03419	2.1
81.07062	52.9
83.04556	0.6
83.04976	4.1
83.08625	11.4
85.06539	2.6
85.10179	1.3
91.04906	0.8
91.05485	19.9
93.07049	42.9
95.04968	4.4
95.08612	27.1
97.06533	5.4
97.10175	4.1
99.08112	2.1
105.04538	0.9
105.07038	17.4
107.07878	1.3
107.08601	22.4
109.06541	1.9
109.10168	10.4
111.08085	3.7
111.11722	1.3
112.13657	0.5
113.06020	0.7
115.05444	0.9
117.07021	8.8
118.07382	0.6
119.08584	11.2
121.06487	0.7
121.10146	16.7
123.11725	3.3
123.40771	0.6
125.09636	1.1
128.06213	0.7
129.06995	3.9
129.11830	0.7
131.08577	15.5
132.73021	0.6
133.10152	11.5
135.08067	0.7
135.11685	9.5
137.13319	0.8
139.11203	1.5
141.07010	0.8
143.08533	5.0
144.09346	0.7
145.10130	9.7
147.11708	5.4
149.09637	1.0
149.13269	12.7
151.11131	0.8
155.08589	1.9
157.10138	4.3
159.11714	11.3
161.13255	3.1
163.14847	1.3
167.08511	1.1
167.14294	0.9
169.10167	2.4
171.11707	4.0
173.13258	4.4
175.14893	1.6
177.12791	2.4
181.10158	1.4
183.11723	2.6
185.13200	3.0
187.14842	2.6
189.16388	0.8
195.11891	1.4
195.13847	6.5
197.13104	1.1
199.14885	2.2
201.16428	1.1
209.13292	1.4
211.14931	1.6
213.16466	1.0
219.17505	0.6
240.27121	0.7
243.21004	1.0
256.26248	0.8
261.22144	2.8
325.24973	0.6
335.33096	1.1
363.32764	1.9
384.78659	0.7
399.34689	3.5
410.90741	0.6
419.33139	1.7
437.34225	4.4
455.37030	4.2
473.36493	1.6
511.38327	4.1
529.38922	100.0
530.39093	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	21.6
55.05523	21.0
57.03439	13.2
61.02922	16.5
67.05515	47.0
69.03428	18.2
69.07083	26.4
69.55432	22.6
71.05002	8.6
73.02921	9.6
79.05116	4.9
79.05499	38.2
80.00612	3.4
81.03434	21.0
81.07064	63.4
83.04984	8.0
83.08618	11.2
84.46128	3.3
85.02905	18.6
91.03973	6.6
91.05482	39.7
93.07047	42.6
95.04961	8.3
95.08622	32.7
96.22227	3.2
97.02901	12.0
97.06546	34.6
97.10179	8.9
99.08086	4.3
105.07035	43.7
107.04939	13.4
107.08616	26.9
109.02866	6.3
109.06516	6.4
109.10155	14.8
111.08100	6.7
117.06981	8.8
119.08590	33.9
121.06529	4.5
121.10149	15.2
123.04424	5.4
123.08050	8.6
123.11717	6.0
125.09635	8.1
127.03934	5.9
129.07037	8.1
131.08566	19.6
133.06509	5.7
133.10129	22.6
135.11699	8.2
137.05968	7.5
143.08522	5.8
145.10132	17.7
147.11696	30.5
149.09650	19.5
157.10107	5.4
159.11717	12.2
161.13240	5.4
162.21864	3.9
163.11221	11.8
164.33577	3.9
165.12759	8.7
171.10222	6.4
171.11688	6.2
173.13266	7.7
177.12697	5.7
193.12210	4.1
207.59984	3.5
229.14384	8.9
247.20581	6.7
253.18031	4.2
257.19034	10.4
269.17465	15.7
275.20026	59.5
283.15472	4.7
291.19650	6.0
293.20978	6.6
349.23782	100.0
367.24823	32.8
466.30624	4.5
473.33765	4.7
511.28244	6.6
529.28271	4.7
529.34662	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	529.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
54.81907	0.5
55.01866	1.3
55.05513	10.1
57.03438	2.1
57.07079	2.7
65.03941	1.8
67.05508	32.6
69.07076	10.6
69.47889	0.6
71.04996	2.2
71.08631	1.1
78.55177	0.6
79.05497	26.3
81.03439	1.5
81.07061	38.8
83.04977	2.1
83.08629	6.6
85.06549	1.8
91.05486	24.9
93.07046	27.8
95.04990	2.6
95.08614	19.5
97.06534	3.6
97.10178	2.3
98.20731	1.4
98.39476	0.5
99.08118	0.9
103.05515	0.7
105.04545	1.1
105.07042	16.6
106.10709	0.6
107.04936	0.6
107.08602	15.3
109.06554	1.2
109.10158	8.1
111.08108	1.7
113.09600	0.8
115.05464	0.8
117.07036	7.6
119.08581	12.9
121.06490	0.7
121.10155	11.5
123.08099	1.0
123.11711	2.3
125.09615	1.2
128.06224	1.4
129.07021	4.1
131.06108	0.6
131.08572	13.6
133.09154	0.8
133.10143	11.6
135.08043	0.9
135.11713	6.7
141.07019	1.1
142.07884	0.6
143.08549	5.4
145.10144	10.4
147.11682	5.8
149.09637	1.1
149.13255	9.8
149.14397	0.9
151.11246	1.8
155.08583	3.7
157.10155	4.5
159.11702	8.2
161.13301	3.2
163.14832	0.9
168.51126	0.5
169.10095	2.9
171.11650	4.1
173.13289	4.6
175.14877	1.2
177.12720	1.4
179.08612	0.6
181.10135	1.5
183.11653	2.6
185.13301	3.1
187.14896	2.2
189.16396	0.6
195.11760	2.0
195.13867	3.9
197.13333	1.4
199.14919	2.1
201.16391	1.7
209.13319	1.1
211.14883	1.3
213.12825	0.6
213.14731	0.9
213.16446	1.4
219.17447	0.8
223.14957	0.9
224.89238	0.6
225.16460	0.8
227.18065	1.0
235.16936	0.6
239.18040	0.7
241.19562	1.3
243.21130	1.0
253.14326	3.8
259.20676	2.6
261.22092	2.8
283.26358	0.8
284.26520	0.7
285.22305	0.7
297.22369	0.6
299.23801	0.7
311.23593	0.7
313.25339	0.9
315.23306	1.3
353.24591	0.8
391.29431	0.6
419.33435	1.8
437.34351	6.4
455.35358	2.7
462.01486	0.8
473.36356	2.2
501.35791	1.1
511.38693	3.8
529.39014	100.0
529.50049	5.1
546.91003	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
53.86857	1.7
55.01867	10.4
55.05516	17.5
55.16966	1.7
57.03444	16.5
61.02933	38.7
65.03930	4.1
67.05179	3.4
67.05511	50.6
69.03434	24.2
69.07075	23.7
71.01362	3.6
71.04986	6.4
71.54039	3.2
73.02912	19.5
73.17060	2.0
79.05500	37.5
81.03423	16.6
81.06584	4.1
81.07061	82.1
83.04984	7.4
83.08624	13.0
85.02914	40.6
85.06534	3.9
87.04456	2.8
87.40263	1.9
89.40878	1.8
91.03957	20.9
91.05482	34.5
93.07056	35.7
95.04991	11.9
95.08610	32.3
97.02895	34.5
97.06527	12.8
97.10165	7.5
99.04458	6.2
99.08093	2.4
101.02367	6.1
103.03928	5.5
105.07037	40.8
107.04942	6.3
107.08607	30.3
109.02913	8.9
109.06537	12.5
109.10161	15.6
111.08071	5.2
115.03934	2.9
116.14247	1.8
117.07011	10.5
119.08590	33.0
121.06512	6.8
121.10126	18.7
123.04469	2.3
123.08083	6.4
123.11729	9.2
125.09634	6.1
127.03911	18.0
129.05476	3.5
129.07013	5.4
131.04979	2.3
131.08574	17.8
133.10133	26.2
135.08046	7.7
135.11687	9.8
137.09631	4.3
139.11343	1.9
143.08565	5.7
145.04956	5.7
145.10132	20.0
147.08015	2.6
147.11697	27.2
149.09634	13.2
149.13266	7.5
151.11121	3.9
155.08499	2.6
157.10135	4.4
159.07985	2.8
159.11743	14.3
161.09615	2.8
161.13277	5.4
163.11171	7.6
163.14917	1.8
165.12784	8.9
169.10071	2.7
171.11707	4.6
173.13287	7.3
175.11183	3.7
177.12798	3.3
179.14337	2.9
183.06552	5.2
183.11697	3.8
185.13271	2.8
189.11270	3.5
189.12840	2.2
191.14355	1.9
194.10005	3.7
195.13789	2.4
197.13217	3.5
201.07565	4.6
201.44531	2.0
215.14545	2.1
229.14296	2.9
229.19537	4.3
239.17918	6.9
240.10454	10.3
247.20497	5.5
257.19073	15.6
269.17538	5.1
275.09869	2.1
275.20090	100.0
293.21161	24.3
331.22913	2.0
349.23734	51.3
367.24796	56.5
391.24597	3.5
475.26767	4.7
493.27576	2.5
511.28986	5.4
529.24542	2.1
529.29828	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	529.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49920	1.5
53.03951	3.1
53.50187	1.4
55.01889	8.2
55.05514	10.1
57.03438	3.9
59.20913	1.3
61.02915	1.3
61.96799	1.4
63.21516	1.5
67.05515	22.0
69.03436	2.8
69.07076	14.1
69.94838	6.0
79.05493	18.6
81.03415	7.2
81.07059	25.1
83.04983	2.9
83.08610	4.6
85.02918	2.4
91.05485	20.6
91.80893	1.6
93.07049	16.7
95.01313	4.5
95.04961	5.8
95.08607	16.7
96.78191	1.5
97.02876	2.5
97.06552	11.5
97.10175	2.5
98.21377	2.4
99.08154	1.6
105.06392	2.8
105.07040	30.4
107.04967	11.4
107.08617	10.4
109.06560	2.5
109.10155	6.2
111.08063	1.8
112.60227	1.4
117.07030	7.0
119.08601	13.9
121.06538	3.5
121.10148	5.7
123.04418	2.6
123.08089	3.6
123.11697	2.6
125.09665	2.3
129.05524	1.8
131.08568	7.8
133.10100	14.1
135.11679	4.8
137.05913	2.2
137.09607	1.7
137.73056	1.6
143.08559	2.8
145.10110	6.3
147.11691	8.1
149.09634	3.5
149.13260	3.0
157.10143	2.3
159.11694	5.3
161.13181	2.4
163.11212	2.3
169.10210	1.5
171.11751	1.6
173.13217	1.9
179.14293	4.3
187.11153	2.2
213.41525	1.6
229.14340	2.3
275.20102	33.4
348.26724	1.6
349.23767	100.0
365.65576	2.6
392.04492	1.6
529.28784	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	529.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01463	1.2
52.23383	1.3
53.03944	4.8
55.01869	6.5
55.05517	5.9
57.03461	2.7
61.02905	1.5
65.03947	2.0
67.05504	17.0
69.03423	2.7
69.07074	16.6
70.26759	5.0
71.04976	2.7
79.05118	1.6
79.05499	15.4
81.03419	7.5
81.07054	22.3
83.04995	3.7
83.08626	4.6
85.02911	2.4
91.05480	19.5
93.07040	17.3
93.07561	1.7
95.01324	5.5
95.04974	6.5
95.08613	17.2
97.06543	11.2
97.10162	2.1
105.07025	27.0
107.04969	9.6
107.08581	9.3
109.06499	2.0
109.10153	4.7
111.08074	2.1
117.07030	6.4
119.08583	13.7
121.06519	1.8
121.10149	2.4
123.04404	1.5
123.08061	3.4
125.09702	1.8
129.07027	1.7
131.08598	8.8
133.10126	16.3
135.08063	2.4
135.11699	4.8
141.07036	2.7
143.08546	2.0
145.10107	7.4
147.11729	7.4
149.09619	1.9
149.13283	2.3
157.10172	1.6
159.11719	5.8
161.13220	2.4
163.11200	1.7
177.12794	1.9
179.14328	5.6
183.16084	1.5
205.12337	1.2
257.19006	3.2
275.20065	32.8
293.21033	3.4
349.23737	100.0
367.18051	1.9
381.23178	1.4
529.34412	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	529.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94812	1.7
52.62336	1.6
53.03942	5.9
55.01884	19.2
55.05512	23.8
57.03431	7.7
57.07053	1.9
61.02934	16.7
67.05515	35.9
69.03430	13.4
69.07074	25.2
70.92492	1.9
70.92815	3.4
71.01363	2.3
71.05006	5.5
73.02925	9.7
77.03971	1.8
79.05072	3.2
79.05501	40.7
80.05790	1.9
81.03429	12.4
81.07069	36.8
83.04979	8.0
83.08620	13.2
85.02912	23.8
85.06525	3.1
85.82018	1.7
91.03964	10.4
91.05483	29.5
93.07049	35.9
95.04969	7.3
95.08617	22.3
97.02897	16.6
97.06546	24.6
97.10178	20.7
99.04453	2.9
99.08067	2.1
103.05449	2.0
105.07043	33.8
107.04969	22.5
107.08600	38.9
109.02913	4.0
109.06525	5.9
109.10175	17.8
111.08060	3.9
115.05396	1.8
117.07004	11.7
119.08588	20.8
121.06502	4.3
121.10152	12.8
123.04430	6.4
123.08053	4.1
123.11676	4.9
125.09643	19.9
127.03935	7.7
129.05544	2.3
129.06976	4.3
131.08585	18.9
133.06512	3.0
133.10143	15.6
135.08034	5.8
135.11705	4.9
137.06027	4.0
137.09612	2.7
143.08559	3.6
145.04947	3.2
145.10124	13.3
147.04416	2.5
147.11687	11.5
149.09636	20.5
149.13284	3.2
153.09183	2.0
155.08435	2.3
156.99170	2.0
157.10120	5.5
157.84311	2.0
159.11761	10.8
161.13280	3.9
163.11220	9.0
167.07051	2.5
171.10153	8.6
171.11595	3.4
173.11884	3.2
173.13298	5.5
175.07431	2.2
177.12817	2.9
179.14296	2.9
187.11162	3.1
187.13354	2.4
189.11218	18.0
205.12131	2.3
216.27240	2.0
227.12804	20.2
229.12350	2.0
229.14369	3.8
229.19484	2.6
239.17981	2.6
245.11514	2.7
245.13803	14.3
246.13394	3.3
247.20645	2.7
253.17966	5.9
257.19052	7.6
269.17435	2.5
275.20093	58.4
293.21042	5.5
349.23752	100.0
367.24881	21.4
389.18307	2.6
391.24750	5.4
402.67572	2.0
457.25543	1.9
475.27045	2.2
493.28198	2.3
511.29181	3.3
529.33215	7.4
553.82172	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	529.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.0
55.01875	14.2
55.05511	26.5
57.03445	22.3
58.71615	2.3
59.04980	3.4
60.27487	2.3
61.02637	4.0
61.02930	40.0
65.03944	4.6
67.05505	65.9
69.03432	23.3
69.07070	21.2
70.27104	8.7
71.01334	3.1
71.04990	10.1
73.02923	22.0
79.05067	4.5
79.05497	64.7
81.03426	29.2
81.07058	100.0
81.07529	5.7
83.04981	15.2
83.08614	19.4
85.02904	51.0
85.06533	5.7
87.04522	2.7
91.03968	18.7
91.05486	59.2
93.07044	57.2
95.04984	15.6
95.08614	50.5
97.02905	38.4
97.06541	19.6
97.10156	9.1
99.04439	7.8
99.08079	3.2
99.74591	2.3
101.02351	7.9
103.03961	5.9
105.07034	49.9
107.04950	12.0
107.08595	32.0
109.02850	8.4
109.06519	15.3
109.10154	24.3
110.51418	2.5
111.04481	3.1
111.08073	8.6
115.05482	2.8
117.07023	18.9
119.07794	4.6
119.08591	52.7
121.06520	6.1
121.10146	25.1
123.04433	10.8
123.08062	10.7
123.11694	11.7
125.09621	8.5
127.03914	14.7
129.05478	6.1
129.07008	10.0
131.08559	28.7
133.10129	43.4
135.08076	11.5
135.11690	14.7
137.06023	7.9
137.09621	9.3
139.11113	3.3
141.06979	4.5
143.08580	8.5
145.04991	4.8
145.10135	23.7
147.11713	28.9
149.09631	15.0
149.13283	12.8
151.11189	5.0
157.10124	8.8
159.11710	23.7
161.09683	5.0
161.13271	8.1
163.11179	8.9
165.12740	6.6
169.10046	4.7
171.11664	5.0
173.09520	2.9
173.13268	7.4
175.11171	7.8
175.14931	3.1
177.12720	10.8
179.14304	3.2
183.06575	5.5
183.11676	4.3
185.13208	3.1
189.11273	2.5
189.16501	3.0
193.12178	5.0
195.13828	8.8
197.13319	3.3
201.07539	2.8
201.16167	2.3
211.66182	2.6
217.15965	3.3
227.12746	2.7
229.14413	3.0
229.19519	5.9
239.17940	9.6
240.37567	2.6
247.20587	5.8
251.16751	3.0
257.19025	16.1
267.15930	3.3
269.17496	36.5
273.18332	2.5
275.20068	91.7
285.16852	3.3
293.21100	9.5
297.17249	2.8
331.22360	2.7
349.23737	95.2
367.24817	44.8
371.51822	2.6
380.35519	2.6
391.24805	4.8
409.76563	3.2
413.21613	7.8
432.18948	2.5
475.27237	4.2
493.27670	6.5
511.28696	9.4
529.17535	3.5
529.29907	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	529.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.4
54.37527	2.2
55.01872	18.7
55.05524	16.5
57.03434	10.1
61.02922	18.1
65.03948	2.3
67.05173	3.8
67.05506	44.2
69.03428	13.6
69.07072	21.5
71.01356	2.5
71.04991	5.7
73.02898	6.5
79.05492	36.9
81.03413	15.6
81.07063	44.9
83.04981	8.1
83.08615	10.9
85.02917	19.9
91.03958	9.3
91.05493	35.9
93.07045	36.7
95.04980	9.8
95.08607	23.3
97.02885	12.3
97.06534	28.9
97.10157	5.4
99.04453	3.4
99.08065	3.5
101.02314	3.5
103.03965	3.6
105.07030	38.2
107.04964	12.1
107.08611	28.0
109.02900	5.5
109.06495	6.8
109.10176	16.8
117.07003	16.5
119.08584	24.5
121.06463	4.0
121.10143	14.8
123.08094	4.0
123.11720	4.0
125.09631	5.0
127.03896	3.8
129.07002	6.8
131.08589	24.3
133.10150	21.1
135.08073	5.7
135.11705	9.9
137.09599	3.3
145.10127	22.1
147.11678	14.4
149.09619	15.3
149.13257	8.3
151.11153	4.7
155.08591	2.9
157.10114	7.7
159.11699	14.8
161.09599	4.5
161.13264	4.3
163.11226	9.0
165.12697	2.8
169.10138	3.3
171.10184	4.5
171.11607	5.0
173.04546	2.5
173.11795	3.1
173.13228	5.7
177.12801	5.2
179.14330	4.2
183.60828	2.2
187.11197	2.8
189.11324	5.8
195.13776	3.9
214.48000	2.2
217.15901	4.8
219.17339	2.9
225.77959	2.5
227.12914	3.2
229.14163	3.4
229.19719	2.9
239.17976	3.3
253.17856	5.0
257.19104	11.7
263.60312	3.4
269.17526	12.9
275.20068	63.4
293.21014	4.7
309.20490	4.0
331.22693	3.5
349.17072	4.0
349.23737	100.0
367.17987	3.5
367.24884	27.2
493.27982	2.9
511.28845	9.4
529.27502	5.7
529.34753	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	529.2777
Annotation	Terpenoid EA-I
Peak:m/z	Relative Intensity
55.01870	0.5
55.05516	0.8
56.98032	0.4
57.03440	0.7
57.24480	0.4
57.73497	0.4
67.05509	3.0
69.03438	0.5
69.07074	0.9
73.02904	0.4
79.05501	2.1
81.03422	0.7
81.07053	2.6
83.04989	0.5
83.08634	0.6
85.02893	1.2
91.05493	1.9
93.07044	1.9
95.05006	0.5
95.08603	1.0
105.07038	1.1
107.08606	1.0
109.10173	1.4
111.08068	0.5
114.86892	0.4
117.07030	0.8
119.08583	1.2
121.10167	0.7
129.07031	0.5
131.08548	0.8
133.10133	1.5
145.10136	0.9
147.11736	0.6
159.11615	0.5
171.11746	0.7
173.13264	0.6
187.03682	1.5
195.11574	0.4
229.07487	0.4
253.14362	0.5
259.20532	0.5
275.20071	0.6
365.23026	14.4
367.18073	1.2
374.16052	0.6
529.27765	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.4
55.01876	19.1
55.05515	23.2
55.33943	2.2
57.03439	12.5
57.07080	2.1
61.02936	25.3
65.03927	2.2
67.05183	3.2
67.05514	42.1
69.03435	18.3
69.07071	24.6
70.04919	8.3
71.04987	5.2
73.02927	13.0
74.53013	2.4
79.05499	41.2
81.03436	12.9
81.07062	46.2
83.04987	7.9
83.08627	13.4
85.02911	25.2
85.06513	2.8
91.03963	12.3
91.05486	31.6
93.07052	40.3
95.04958	8.7
95.08620	26.9
97.02914	19.1
97.06544	28.9
97.10172	21.1
98.20809	2.0
99.08048	2.2
101.02392	3.1
103.03954	3.0
105.07050	36.6
107.04958	17.2
107.08599	33.8
109.02878	4.9
109.06528	7.0
109.10177	18.6
111.08053	4.4
115.03941	3.2
117.07037	13.4
119.08591	29.5
121.06514	6.3
121.10128	13.8
123.04424	3.8
123.08079	4.1
123.11736	8.0
125.09653	18.3
127.03922	8.2
129.07001	2.6
131.08594	15.5
133.06445	2.3
133.10155	22.5
135.08066	6.1
135.11697	9.4
137.05968	9.6
137.09639	2.7
143.08591	4.5
145.06511	2.7
145.10139	16.4
147.11676	15.6
149.09627	28.5
149.13232	4.9
157.10069	6.2
159.11671	11.3
161.13277	3.3
163.07541	2.5
163.11191	9.2
169.10175	3.8
171.10178	9.6
171.11552	3.2
173.11794	4.1
173.13254	8.4
177.12701	3.6
178.08168	2.1
179.14348	2.7
181.12212	2.2
183.06540	2.1
183.11714	3.2
185.13260	2.2
187.11215	2.9
189.11201	17.7
193.12231	5.8
225.14812	3.2
227.12735	16.8
229.14253	5.3
230.23161	2.4
237.41193	2.5
239.17937	2.9
245.13934	12.2
247.20683	2.6
253.18065	6.2
257.18985	11.3
269.17526	7.0
269.20319	2.1
275.20074	69.8
285.11212	2.3
293.21045	5.1
349.23770	100.0
367.24808	30.9
391.24808	4.8
511.29126	4.4
529.33160	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	529.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88734	0.9
59.31716	1.0
70.06585	1.0
71.73688	1.0
74.02440	1.0
85.02888	1.1
91.05484	2.7
98.97556	1.3
104.65352	0.9
105.07037	1.5
115.05461	1.1
117.07011	1.6
118.06557	17.0
119.04958	1.7
130.06500	2.0
132.08075	6.4
142.06593	1.2
143.07336	2.0
144.08101	11.3
146.06018	63.2
147.04395	7.1
159.09177	5.5
170.06049	3.3
188.07079	100.0
202.23523	0.9
205.09732	48.8
346.57477	1.1
372.38693	1.0
438.94989	1.2
488.42776	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.7
53.03947	1.8
55.01860	1.5
55.05516	10.8
57.03447	2.5
57.07070	2.0
60.45948	0.4
65.03944	1.3
67.05508	21.5
67.05875	1.0
67.50954	0.4
69.03437	0.5
69.07076	9.0
69.15267	5.0
71.04996	1.6
71.08612	0.4
76.56420	0.4
78.19444	0.4
79.05498	16.9
81.03426	1.3
81.07060	22.6
83.04980	1.8
83.08626	4.8
85.06550	0.9
89.06028	1.3
91.05486	17.2
93.07049	15.2
95.04971	2.7
95.08614	14.2
97.06541	2.2
97.10204	3.4
103.05482	0.6
105.04406	0.4
105.07040	18.3
107.04956	0.6
107.08601	10.0
109.06525	0.9
109.10159	5.9
111.08075	1.2
115.05456	1.5
117.07019	9.2
119.08588	13.2
121.10145	6.5
123.08096	1.6
123.11716	1.8
125.09664	1.8
128.06226	2.6
129.07018	10.6
130.07788	1.0
131.08580	17.2
132.09311	0.6
133.06413	0.5
133.08614	0.7
133.10141	9.0
135.08070	1.7
135.11691	4.4
137.09665	0.5
141.06972	3.0
142.07814	2.1
143.08572	13.1
144.09370	1.1
145.10130	14.8
147.11703	5.5
149.09615	0.7
149.13248	2.4
153.07016	0.6
154.07770	1.1
155.08575	8.8
156.09320	1.1
157.10127	12.3
159.11711	10.2
161.13330	1.7
163.11140	0.5
163.14903	0.6
165.07106	0.5
166.07787	0.7
167.08546	3.2
168.09355	0.9
169.10143	11.2
171.11714	11.2
173.13258	5.9
179.08578	1.1
180.09216	0.7
181.10106	4.1
183.11703	10.9
183.13243	0.8
185.13266	7.8
187.14870	2.7
193.10172	1.2
195.11725	4.6
195.13516	0.7
197.13271	6.2
199.11166	0.6
199.13174	0.7
199.14812	4.0
201.12967	0.5
201.16312	0.7
207.11801	1.8
209.13319	3.9
211.14903	3.3
213.16446	1.7
215.17902	0.4
221.13268	2.3
223.14836	3.1
225.16406	1.9
227.14050	0.5
227.18065	0.6
231.21121	0.6
233.13226	0.5
235.14864	1.2
237.16400	1.9
239.17989	1.1
249.16492	1.2
251.18044	0.5
253.19699	0.7
255.17519	0.7
259.20480	2.2
263.17944	0.8
265.19467	0.9
269.19159	0.8
275.20078	0.9
279.21182	0.8
281.18997	0.8
283.20721	1.7
287.19958	0.5
291.20947	0.7
295.20731	0.7
297.22186	1.4
301.21643	0.6
309.22189	1.1
311.20447	0.6
311.23849	1.2
313.21646	0.7
315.23297	1.8
321.22311	0.8
323.23654	2.0
325.21747	0.6
325.25253	0.7
327.23383	1.1
329.24579	0.6
335.23575	0.6
337.25287	1.1
339.23099	1.0
341.24896	0.7
343.26520	0.5
347.23810	0.8
349.25223	0.5
352.24850	0.5
353.24649	0.6
357.24042	0.6
365.24939	0.7
367.26361	0.6
369.28192	0.6
375.26889	0.7
393.28186	0.5
407.33536	1.0
417.31650	4.7
425.34262	0.8
435.32620	13.0
453.33643	5.3
471.35110	3.3
473.34164	1.4
491.35327	1.5
509.36279	9.5
515.21283	0.5
527.37347	100.0
528.37677	1.2
548.92059	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46844	0.5
53.03942	1.2
53.72820	0.5
55.01869	1.2
55.05515	9.6
57.03432	3.3
57.07057	1.6
58.49098	0.5
59.05009	0.5
59.82019	0.5
65.03929	1.1
67.05506	19.1
69.06732	0.6
69.07076	8.5
69.07423	1.1
71.03799	1.2
71.05001	0.8
79.05061	1.1
79.05493	13.4
81.03387	0.5
81.07060	18.2
83.04964	1.2
83.08618	5.1
85.06538	1.0
91.05485	13.3
93.07042	14.4
95.04954	1.9
95.08613	13.4
97.06517	1.7
97.10179	2.9
105.07034	14.4
107.08585	7.0
109.06503	1.0
109.10161	5.7
115.05520	0.6
117.07026	9.9
119.08582	11.6
121.06561	0.7
121.10142	6.3
123.08105	1.5
123.11713	1.2
125.09613	1.7
128.06215	3.0
129.07008	9.8
131.08563	14.9
133.10138	8.3
135.08058	0.8
135.11690	3.4
137.09619	0.7
141.06993	3.7
142.07780	2.6
143.08565	13.9
144.09286	0.7
145.10120	11.1
147.08049	0.7
147.11670	4.8
149.09546	0.9
149.13284	1.7
151.11226	0.7
153.06953	1.1
155.08560	8.1
156.09325	1.5
157.10114	10.5
159.11713	8.8
161.09683	0.7
161.13303	2.0
166.07809	0.7
167.08540	3.2
169.10135	9.8
169.11574	0.8
171.11682	10.5
173.09557	0.7
173.13274	5.4
177.12814	0.6
179.08505	0.9
181.10121	4.9
182.10941	1.0
183.11702	10.3
183.13232	0.8
185.13251	7.4
187.14850	1.5
193.10126	1.8
195.11736	4.0
197.13252	7.2
199.14812	4.1
201.16385	1.0
203.14445	0.8
207.11749	1.5
209.13251	3.9
211.14784	4.1
213.16420	2.2
219.11732	0.5
220.12567	0.6
221.13306	1.8
223.14891	2.8
225.16322	1.9
227.18010	0.8
235.14893	1.9
237.16385	2.5
239.17892	1.3
239.68494	0.7
241.15779	0.9
241.19676	0.6
246.40869	0.5
249.16353	1.1
249.18642	0.6
251.17987	0.6
255.17429	0.7
259.20609	1.3
265.19495	0.6
279.21213	0.6
283.20575	1.1
285.22336	0.6
292.81088	0.7
293.22562	0.9
295.20541	0.9
297.18637	0.7
297.22116	1.2
301.21674	0.6
309.22293	1.0
311.23508	0.8
313.21631	1.1
315.23267	1.2
321.22025	0.7
323.23886	2.1
327.23318	0.7
329.24661	0.6
335.23535	0.7
337.25418	1.0
339.23334	0.9
341.24765	0.8
353.24789	0.9
367.26282	0.9
407.33197	0.9
417.31537	5.0
435.32645	14.9
453.33649	6.6
471.34802	3.1
473.34048	1.6
491.35400	1.6
509.36270	10.9
527.37329	100.0
528.37695	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.9
55.01875	15.5
55.05513	25.9
57.03440	27.3
57.07060	3.4
60.24496	1.9
61.02932	28.5
63.89189	1.9
65.03928	4.3
66.11851	2.0
67.05513	81.6
67.05879	4.0
69.03432	36.9
69.07069	27.2
71.01350	5.2
71.05000	11.7
73.02917	15.3
79.05497	50.1
81.03420	51.0
81.07065	85.8
81.96676	2.0
83.04989	25.5
83.08620	12.1
84.17847	1.9
85.02910	42.5
85.06529	7.4
87.04469	5.4
91.03986	9.7
91.05489	78.3
93.07048	61.0
95.04972	25.6
95.08613	33.2
97.02905	33.3
97.06548	11.7
97.10205	2.6
99.04458	14.0
99.08106	4.8
101.02364	5.1
103.03990	5.3
105.07040	63.3
107.04955	17.8
107.08601	51.8
109.02888	15.2
109.06517	12.1
109.10163	58.8
111.04444	3.3
111.08076	6.3
113.05981	2.9
115.03928	2.4
117.07026	13.9
119.08599	21.9
121.06495	13.8
121.10136	14.8
123.04485	10.7
123.08082	8.4
123.11713	14.0
125.06001	2.4
125.09647	4.1
127.03940	26.4
127.07577	3.8
128.06252	2.9
129.05473	8.6
129.06995	6.4
131.04951	2.2
131.08589	19.7
133.06531	9.6
133.10143	100.0
135.08066	21.1
135.11716	8.5
137.06003	5.6
137.09637	4.2
139.07516	2.1
143.08545	7.6
145.04898	4.8
145.10147	9.9
147.08067	6.4
147.11673	9.2
149.09622	16.1
149.13330	2.4
151.07640	2.2
151.11194	73.0
157.10156	6.7
159.08022	4.5
159.11725	6.8
161.09697	11.7
161.13283	3.0
163.07542	3.7
163.11230	4.4
165.12758	2.2
167.10722	2.1
169.10123	2.1
169.12282	19.3
171.11668	5.2
173.04451	6.4
175.11198	6.6
177.09106	7.4
179.10689	6.7
183.06572	3.8
183.10228	2.9
183.11723	2.9
186.94212	2.0
189.12843	4.9
193.12309	7.2
197.11752	3.1
201.07574	2.0
203.14331	2.1
209.11722	2.8
211.13354	7.5
213.12811	2.8
215.12738	16.2
225.11247	2.4
225.14819	2.1
229.14273	2.1
233.15414	3.2
237.16353	2.4
241.05412	2.0
245.19046	4.9
251.12775	2.4
253.14357	45.8
255.17447	2.7
263.20111	5.3
267.15894	3.6
269.13788	6.3
271.15436	12.6
273.18518	35.3
285.17053	3.5
291.19540	24.7
295.15292	2.4
299.14792	2.8
313.16513	3.6
315.19415	2.1
319.50464	2.1
347.22144	18.8
365.23254	46.7
473.25162	2.7
509.27420	7.0
527.28363	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	527.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.3
55.01873	10.7
55.05272	3.0
55.05515	28.5
57.03440	18.6
59.04987	3.2
59.43315	1.8
61.02932	20.2
65.03932	3.7
67.05508	57.9
69.03092	2.1
69.03432	34.3
69.07075	26.7
71.01330	3.4
71.04980	5.1
71.53927	2.0
73.02911	8.7
79.05073	2.7
79.05498	35.7
81.02986	2.7
81.03423	40.6
81.07057	44.3
83.04995	12.3
83.08630	18.2
85.02429	2.6
85.02908	31.6
85.06523	3.9
87.04446	1.9
91.03950	7.5
91.05488	29.3
93.07051	29.1
95.04976	20.3
95.08616	20.2
97.02899	27.5
97.06519	7.6
97.10168	23.6
99.04446	7.6
101.02374	6.7
103.03928	4.2
103.05412	2.0
105.07048	21.2
107.04968	12.5
107.08609	24.5
109.02867	14.5
109.06517	7.4
109.10155	25.8
111.04429	5.5
111.08070	5.8
115.05470	2.7
117.07028	10.7
119.04963	3.1
119.08591	18.9
121.06491	7.2
121.10168	12.4
123.04417	6.8
123.08066	10.0
123.11703	2.9
125.06037	2.6
125.09628	26.3
127.03920	15.0
129.05473	3.4
129.07007	8.0
131.08580	13.9
133.06514	5.0
133.10110	16.8
133.42723	1.8
135.08029	10.3
135.11707	5.4
137.05968	4.8
137.09622	4.9
143.08545	5.9
145.04912	2.9
145.10120	9.9
147.08025	12.2
147.11673	9.1
149.05956	2.1
149.09596	6.3
149.13211	2.7
151.03925	2.2
151.07570	2.3
151.11150	4.4
153.09062	3.2
157.06503	1.7
157.10085	6.4
159.08090	2.8
159.11707	4.8
161.05927	2.8
161.09602	5.4
163.11159	7.4
165.09102	3.6
167.07063	2.1
171.10283	2.4
171.11710	2.2
173.04462	4.8
173.11757	6.9
175.11179	6.6
177.12750	1.9
179.10637	2.2
181.12238	2.6
185.13251	1.8
189.11244	18.4
189.12779	3.6
191.10703	2.5
193.12254	9.1
196.94812	2.1
199.11163	2.9
201.12578	1.8
204.07169	1.8
205.12230	2.0
211.13226	10.2
217.12271	2.4
221.15096	2.3
222.17162	1.9
223.13347	17.2
227.12787	7.7
229.14368	2.5
235.13184	2.9
243.12238	2.9
245.13731	2.2
245.19109	2.8
249.14925	5.9
253.14301	2.3
255.17502	3.9
261.14600	2.0
263.19968	2.5
267.12402	2.0
267.15875	3.4
273.18518	26.6
275.91324	1.9
279.16125	2.2
291.19559	100.0
295.15311	2.0
307.19232	2.2
309.20676	2.0
326.58377	1.8
347.22235	14.0
355.17639	4.1
365.23248	48.3
383.24240	2.9
389.23300	2.1
393.22977	3.9
407.24539	2.4
429.21411	2.1
491.26627	3.7
509.27393	7.8
527.11597	2.0
527.28345	53.1
527.37250	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	527.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01871	3.1
55.05266	1.5
55.05514	19.1
55.68485	1.2
57.03448	5.3
61.02930	12.2
65.03930	1.8
67.05511	21.2
67.09548	1.0
69.03442	6.9
69.07071	9.4
69.27621	10.0
70.06570	1.0
71.04984	3.0
73.02912	5.0
79.05505	26.1
81.03416	4.5
81.07061	23.3
83.04987	2.3
83.08632	7.4
85.02915	12.4
85.06548	1.8
91.03961	6.0
91.05487	34.1
91.22129	1.1
93.07053	24.4
95.04977	4.2
95.08045	1.9
95.08604	15.3
97.02921	8.6
97.06537	5.0
97.10198	5.7
98.21494	2.5
99.04457	1.9
103.05473	1.2
105.07036	26.6
107.04967	4.4
107.08600	9.9
109.06512	4.6
109.10149	5.0
111.08083	3.0
115.05473	3.9
117.07025	21.4
119.08588	18.7
121.06500	5.2
121.10163	4.5
123.08073	5.3
125.09646	3.3
127.03928	2.3
128.06190	9.1
128.35838	1.1
129.07005	13.4
130.07794	4.6
131.08575	39.2
133.06505	4.1
133.10149	10.6
135.08067	3.1
135.11725	5.3
137.09625	2.5
141.06975	5.8
142.07779	3.2
143.08568	49.8
145.06567	1.5
145.10133	43.6
147.08054	7.6
147.11694	3.8
149.09636	3.6
151.07561	2.1
153.09161	1.7
154.07770	1.5
155.08569	4.2
157.10153	14.8
159.08046	2.1
159.11713	10.8
161.09625	10.4
161.13251	1.6
163.11177	2.6
165.07051	2.1
167.08563	3.6
169.10184	7.2
171.11653	10.8
173.09624	3.3
173.11774	1.3
173.13275	1.9
175.11189	4.5
177.12784	2.4
181.10078	7.2
183.11644	6.1
185.13272	4.5
187.11166	1.7
189.12770	1.5
195.11732	13.1
199.14754	2.6
201.12720	2.1
213.12785	2.2
213.16467	1.4
216.88448	1.3
222.14163	1.3
227.17972	3.9
231.13672	1.3
237.16420	14.8
241.14433	1.3
245.19020	3.1
255.17473	16.8
257.19034	1.6
267.16040	1.4
273.18503	41.2
283.15396	1.4
291.19391	2.3
329.21036	2.8
347.22198	100.0
365.23285	5.8
527.21033	1.5
527.28693	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	527.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03704	0.9
53.03945	5.2
55.01880	8.8
55.05516	23.7
57.03441	13.1
59.04993	2.5
61.02646	1.3
61.02929	14.4
61.58847	0.8
65.03938	1.9
67.05510	33.6
69.03085	1.4
69.03438	23.7
69.07074	25.2
69.50798	5.9
71.01347	2.0
71.05006	5.0
73.02921	9.2
74.95808	0.8
79.05500	27.7
81.03428	28.4
81.06583	1.5
81.07063	27.6
83.04643	0.7
83.04993	8.0
83.08227	1.4
83.08624	12.7
85.02437	1.4
85.02911	21.8
85.06532	1.5
87.04478	1.1
88.53832	0.8
91.03958	7.0
91.04989	1.0
91.05490	16.6
93.07054	20.2
95.01312	1.2
95.04983	12.8
95.08615	13.0
97.02894	24.9
97.06530	5.4
97.10184	18.1
99.04449	5.9
99.08105	1.4
101.02376	6.0
101.67022	0.9
103.03926	3.5
105.07041	15.0
107.04977	9.0
107.08603	14.1
109.02898	7.4
109.06509	4.0
109.10166	9.8
111.04459	4.0
111.08098	5.2
115.05461	1.0
117.07021	8.0
119.04961	1.5
119.08591	15.1
121.06550	4.7
121.10143	6.9
123.04388	2.0
123.08093	7.0
123.11728	1.8
125.09643	12.3
127.03928	10.8
127.34099	0.7
128.06227	1.6
129.05475	2.6
129.06999	3.8
131.08588	9.7
133.06425	3.9
133.10130	7.0
135.08069	5.4
135.11682	3.3
135.12627	0.8
135.63289	0.9
137.05980	1.1
137.09604	3.4
139.11119	1.0
141.06979	1.1
143.08566	3.1
145.04915	2.7
145.06456	1.2
145.10149	7.3
146.97391	1.0
147.08044	9.1
147.11674	3.6
149.05968	0.8
149.09607	4.1
149.13229	3.2
151.11183	2.1
153.09149	1.7
153.12682	1.6
155.08464	1.0
155.10588	1.3
157.10178	4.4
159.08086	1.5
159.11633	3.9
161.09596	2.9
163.11224	4.4
165.09132	2.7
165.12822	0.9
169.12289	1.6
171.10234	2.0
171.11688	2.5
173.04460	2.5
173.09630	1.1
173.11678	2.4
173.13155	1.8
175.11191	3.0
177.12692	2.1
181.12277	1.6
183.06596	2.0
189.11223	11.9
189.12747	1.6
193.12267	6.6
195.13834	1.5
201.07631	1.4
201.12674	1.0
205.12207	2.3
211.13300	6.4
217.12209	0.9
219.14081	0.9
223.13306	18.3
224.05583	0.9
225.11304	1.0
226.43796	0.9
227.12802	6.1
229.07095	0.8
229.14273	1.2
235.13235	1.3
243.12192	0.9
245.13893	1.0
245.18959	2.7
249.14865	3.6
255.17470	1.5
261.18182	0.8
263.20111	2.2
267.15930	2.3
269.13602	0.9
273.18491	21.5
275.12534	0.9
283.15430	1.3
285.16934	1.6
291.19562	100.0
292.19873	1.1
299.14563	0.8
309.16953	1.0
315.19601	0.9
347.22269	7.4
354.98389	1.1
365.23254	35.3
383.24243	1.5
389.23349	1.6
393.22702	2.4
407.24182	2.2
417.22330	1.0
429.21167	2.2
473.25177	2.0
491.26752	1.5
509.27432	4.5
527.28522	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	526.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	16.5
57.03438	11.4
57.07065	4.7
59.04992	4.0
65.03939	2.0
67.05510	100.0
69.07071	17.0
69.66595	1.0
71.04974	3.7
71.08629	1.3
73.54680	1.0
79.05499	7.3
81.07064	43.1
83.04897	1.0
83.08224	1.0
83.08626	12.2
85.06525	1.1
89.06037	22.5
91.05485	8.1
93.07057	12.6
95.08614	30.8
96.86326	0.9
97.06540	2.5
97.10168	4.3
98.20714	2.8
105.07023	4.5
107.08601	5.0
109.10163	75.4
111.08057	3.3
116.76975	1.0
119.08598	6.4
121.10134	5.7
123.11707	5.5
123.12502	1.1
125.34357	1.1
133.08606	12.5
133.10150	3.5
135.11696	2.6
137.09624	2.8
147.11732	1.4
149.13179	2.7
155.10655	4.6
161.13271	1.5
173.11745	16.9
175.14806	1.5
177.11203	3.9
229.14360	82.5
245.22504	1.9
256.48877	1.1
263.23651	4.5
327.20184	13.2
337.27383	87.7
490.47226	1.2
491.37302	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	527.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.7
55.01867	2.9
55.05509	19.1
57.03426	10.1
63.44859	2.3
65.03937	2.5
67.05509	50.1
69.03434	5.6
69.07079	12.2
69.59040	7.5
69.59467	7.2
71.01353	5.0
71.04990	5.1
73.02916	10.7
79.05072	2.9
79.05500	45.9
81.03410	8.3
81.07057	40.8
83.01314	2.4
83.04971	5.7
83.08611	9.0
85.02909	24.8
85.06562	3.7
89.77634	2.3
91.05482	46.2
93.07051	59.3
95.01324	8.7
95.04950	7.5
95.08620	31.9
97.02921	5.4
97.06522	4.5
97.10130	5.9
99.08113	3.7
103.03935	5.1
103.05466	3.6
105.07047	47.9
107.04935	6.7
107.08598	32.1
109.02812	3.5
109.10173	27.3
111.08077	3.2
113.02341	8.1
113.16090	2.6
115.05448	3.6
117.07026	12.1
119.08588	34.3
121.06502	2.8
121.10157	32.2
123.04411	9.3
123.08061	3.9
123.11744	3.5
125.09682	3.1
128.82140	2.1
129.06999	8.6
131.03387	4.6
131.08537	20.1
133.06531	2.5
133.10136	32.0
135.08070	5.6
135.11702	26.5
137.05992	11.1
141.01860	17.9
141.07005	3.1
143.08549	9.0
145.10146	16.5
147.11697	27.0
149.12158	2.1
149.13214	14.8
157.10106	11.2
159.08083	2.5
159.11703	12.8
161.13264	16.7
161.95425	2.4
163.07503	3.2
163.11176	3.1
163.14874	3.4
169.10094	3.3
171.11647	8.9
173.11818	4.7
173.13255	8.5
175.11124	5.8
175.14845	11.9
177.12801	4.3
185.13283	8.0
189.12701	3.6
199.14851	4.2
229.14336	3.4
231.17557	3.1
231.21014	4.6
241.19565	23.2
259.20599	66.8
277.21667	7.5
312.49414	2.5
333.24316	9.7
349.23895	3.3
351.25293	100.0
365.23297	4.2
417.22733	2.7
491.26453	2.9
509.27698	7.6
527.20306	3.8
527.29236	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	525.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	16.7
57.07071	9.3
59.05005	2.2
66.19706	2.1
67.05505	18.1
69.03429	2.6
69.07070	52.4
69.39493	16.7
71.05023	3.3
71.08633	3.9
79.05511	10.4
79.41516	2.2
81.03416	2.2
81.07063	100.0
83.08620	16.0
85.02889	5.9
85.06554	10.7
89.68774	2.0
91.05482	4.4
93.07054	24.2
95.08617	69.5
97.06549	4.3
97.10184	5.9
98.20752	3.0
99.08077	8.4
104.57713	2.4
105.07031	5.5
105.36230	2.1
107.08611	24.5
109.10170	26.8
111.08085	11.1
111.11725	17.3
119.08627	5.0
120.35624	2.2
121.10163	13.0
123.11726	29.7
125.09688	2.4
125.13248	3.2
127.03879	2.1
127.11171	6.2
135.11693	13.6
137.13263	34.3
139.26172	2.3
141.42560	1.9
147.11705	4.6
149.12199	3.1
149.13286	29.6
153.12766	21.1
155.04617	2.1
155.14317	8.4
161.13234	2.5
163.14809	6.3
165.16331	2.6
167.14288	7.9
171.13823	6.3
173.15376	7.0
177.16348	5.2
195.17482	2.7
203.17937	2.9
239.23737	3.6
271.68152	3.5
273.25739	3.7
279.26917	8.1
291.26822	24.9
297.27765	6.1
305.09641	2.5
309.27878	52.6
309.31244	3.7
315.28955	5.6
327.28928	12.0
345.30115	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	525.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.7
55.05514	8.3
55.35325	1.2
56.51060	1.2
57.03448	3.1
57.07083	13.4
67.05507	25.9
69.03431	8.5
69.06726	1.8
69.07070	25.4
70.06594	1.5
70.66283	2.6
70.66618	1.3
71.04984	2.2
71.08628	2.1
79.05502	11.2
81.03413	2.5
81.07062	65.7
83.04961	3.7
83.08624	12.8
85.02916	9.1
85.06548	100.0
91.05476	4.7
93.07042	22.0
95.04987	1.4
95.08614	43.8
97.02887	4.3
97.06535	3.8
97.10174	7.5
99.04473	1.4
99.08099	11.2
105.05837	1.4
105.07043	7.2
107.08590	25.7
109.06457	1.7
109.09469	2.5
109.10164	32.8
111.08056	5.3
111.11714	5.1
113.09605	2.9
119.04967	1.5
119.08584	7.0
121.10149	18.0
123.11720	21.1
125.09642	16.1
125.13262	2.8
127.03918	4.2
127.11178	2.3
131.08629	1.6
133.10139	3.5
135.07947	1.5
135.11700	13.6
137.05928	2.3
137.13263	14.6
139.11205	3.8
145.10049	1.5
147.04401	2.2
147.11658	3.5
149.13258	19.5
150.58917	1.4
151.11185	1.6
151.14799	3.8
153.12738	5.3
161.13228	3.9
163.14845	9.0
165.16389	1.4
167.14256	4.9
169.12192	2.3
171.13771	8.9
174.12733	3.2
175.14862	1.7
177.16399	5.7
179.17836	1.7
181.15848	1.5
191.17929	3.3
193.19545	2.7
195.17424	1.8
199.81779	1.5
203.17981	2.4
204.13826	16.5
205.19487	2.9
213.18646	2.8
217.19519	5.0
223.20570	1.4
227.12679	3.2
261.25839	1.4
273.25882	7.4
279.26825	15.1
291.26822	27.5
297.27924	15.0
309.27881	43.3
315.29013	2.0
327.25235	2.1
327.28967	24.8
345.30005	10.8
349.23618	1.8
363.31204	2.1
377.43335	1.3
397.17929	1.4
418.57437	1.4
525.22131	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	525.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.05516	12.3
57.03426	3.1
57.07072	5.5
67.05506	21.5
69.03424	2.2
69.07071	28.1
69.35105	5.5
69.35526	7.2
71.04964	1.8
71.08620	2.1
71.61695	1.6
79.05496	9.5
81.03426	2.4
81.07064	100.0
83.04981	1.4
83.08600	9.2
85.02932	7.4
85.06551	23.7
91.05477	2.7
93.07059	17.7
95.08613	50.8
97.02896	2.9
97.06520	5.5
97.10166	5.3
99.08102	69.6
105.07020	4.8
107.08596	14.9
109.10164	49.7
111.08068	4.2
111.11717	10.4
113.09643	4.7
119.08570	2.8
121.10147	11.5
123.11721	26.1
125.09631	1.8
125.13233	1.9
127.03918	2.1
127.11191	14.6
131.08551	2.1
133.10149	3.4
135.11691	12.1
137.13255	13.0
139.11220	3.2
145.10045	2.0
147.11676	2.0
149.13281	22.7
151.14825	2.1
153.12718	2.0
155.14313	5.8
161.13332	1.7
163.14819	7.3
169.57425	1.8
173.15352	2.4
177.16435	2.3
191.17929	2.0
205.19522	16.0
213.18616	2.2
217.19498	1.6
223.20581	47.3
241.21674	23.6
279.26581	1.5
283.15326	3.3
291.26910	12.8
297.27963	4.2
309.27972	17.0
327.28934	6.7
345.30042	4.9
349.23776	1.9
525.22754	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	525.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.2
55.01875	2.7
55.05515	31.2
57.03431	7.5
57.07066	8.1
59.05050	2.6
61.02935	3.7
65.90050	3.1
67.05518	38.5
69.03425	8.3
69.07077	52.3
69.07434	1.8
70.92876	5.7
71.04999	6.6
79.05499	21.9
81.03418	9.3
81.07063	98.9
83.04958	5.8
83.08200	3.2
83.08626	26.9
85.02902	11.2
85.06550	18.7
91.05510	11.7
93.07053	26.1
95.05016	3.6
95.08612	66.7
96.92285	2.7
97.02833	5.4
97.06525	8.1
97.10159	22.2
99.04476	3.4
99.08107	25.2
105.07036	12.2
107.08599	20.2
109.02888	5.4
109.06498	4.9
109.10159	33.5
111.08086	9.7
111.11705	13.6
119.08588	14.2
121.06506	3.6
121.10159	25.6
123.08064	2.7
123.11723	11.5
125.09658	5.8
127.03910	7.8
127.11159	3.0
129.01938	3.1
133.10147	14.6
135.11691	18.0
137.06009	4.6
137.09628	3.2
137.13249	35.7
139.11185	4.3
145.10095	6.0
147.11705	11.9
149.13266	8.6
151.11194	4.1
151.14844	3.1
153.12778	4.5
155.14325	38.7
157.10075	2.7
159.11685	3.7
161.13239	6.6
163.14766	2.3
165.12733	6.5
173.15379	7.6
175.14835	5.0
179.14313	2.8
185.06012	2.5
199.14716	3.1
217.19557	8.4
235.20558	12.7
241.21661	5.5
253.21686	4.1
259.20612	18.3
273.26028	3.1
279.27310	2.9
291.26749	6.7
298.26053	2.7
309.24167	6.3
309.27863	14.6
327.25320	100.0
345.26379	86.3
345.30008	3.5
352.24258	2.4
401.58789	2.8
525.27155	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	525.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.05514	15.1
56.31051	1.0
57.03440	4.9
57.07077	4.1
57.42642	1.0
67.05508	20.8
69.03426	4.0
69.06723	2.2
69.07073	28.6
69.18318	11.9
69.58820	1.0
71.04980	3.4
71.05360	1.1
71.08633	1.6
73.02929	1.5
75.49366	1.1
79.05491	10.6
81.03432	3.6
81.07063	42.8
83.04978	2.1
83.08623	17.0
83.28911	1.2
83.92517	1.0
85.02911	5.1
85.06554	4.0
91.05489	10.4
93.07057	13.0
95.04971	1.8
95.08607	30.8
95.09172	2.2
97.02888	2.0
97.06535	5.6
97.10173	14.7
99.08106	6.7
105.07031	9.5
107.08598	10.4
108.93169	1.1
109.02905	1.5
109.06528	1.5
109.10174	17.0
111.08098	3.2
111.11712	5.7
117.06996	2.6
119.08600	11.0
121.06565	1.2
121.10152	12.3
123.08117	2.3
123.11696	9.2
125.09673	1.9
125.13257	2.0
127.03921	1.9
127.11248	1.4
129.07045	1.5
131.08563	4.4
133.10139	7.3
133.28755	1.1
135.08110	1.6
135.11708	12.1
137.05984	1.9
137.09634	2.3
137.13281	7.0
139.11211	1.9
143.08578	1.3
145.10141	4.6
147.11687	7.4
149.09583	1.8
149.13235	4.2
151.11205	2.0
151.14867	1.4
153.12770	2.7
155.14305	1.8
157.10175	1.2
159.11705	2.7
161.09628	1.6
161.13289	5.4
163.14789	1.3
165.12747	2.0
173.13332	1.7
175.14832	2.6
217.19505	9.6
223.20610	2.5
227.12732	1.2
235.20639	9.5
241.21666	4.3
253.21637	7.9
257.18961	4.1
259.20538	1.7
269.05161	1.2
277.21689	2.7
291.26797	1.7
309.24258	3.8
309.27728	4.3
327.25320	100.0
329.10718	1.5
345.26385	16.1
349.23734	3.9
481.24167	1.7
525.22742	6.5
525.30316	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	525.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02342	0.8
53.03938	1.7
55.01874	1.3
55.05277	0.8
55.05518	13.5
57.03423	3.5
57.07076	4.1
58.33992	0.9
59.04996	1.3
60.80965	0.8
67.05509	19.8
69.03431	3.0
69.07073	27.0
70.17475	2.2
71.04995	2.0
79.05505	10.3
81.03405	3.3
81.06592	1.9
81.07063	39.3
83.04961	1.9
83.08621	15.6
85.02892	3.6
85.06564	5.3
87.00849	1.1
91.05489	7.0
93.07057	10.9
95.08614	28.5
97.02898	1.5
97.06516	2.8
97.10178	12.6
98.21394	1.1
99.08089	6.0
105.07034	6.5
107.04962	1.0
107.08598	8.4
107.83916	0.8
109.02949	1.1
109.06516	1.6
109.10167	15.5
111.08094	2.5
111.11704	6.4
113.09626	1.1
119.08579	7.0
121.10153	12.8
123.08089	1.5
123.11696	5.8
125.09636	1.7
127.03944	1.6
127.11192	1.0
129.06963	0.8
131.08578	1.6
133.10124	8.2
135.11697	10.3
137.09569	2.2
137.13268	7.5
139.11169	2.7
145.10101	1.1
147.08031	1.1
147.11691	5.9
149.09624	1.4
149.13242	3.5
151.11157	2.1
151.14836	0.9
153.12784	1.8
155.14333	8.4
161.13272	3.9
165.12769	2.1
173.15331	1.4
175.14799	2.2
179.14264	0.9
193.19557	1.2
217.19560	7.8
235.20581	9.7
253.21692	8.8
254.33009	0.9
259.20587	3.4
273.25845	1.1
277.21643	1.4
291.26450	0.9
309.24173	3.0
309.27786	2.0
327.25317	100.0
345.26407	13.2
345.30313	0.8
365.21103	0.9
459.72662	1.0
475.26950	1.7
481.24036	1.0
507.30069	1.1
525.30511	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	525.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.1
55.01853	12.0
55.05308	4.2
55.05516	38.6
57.03422	11.7
57.07079	7.1
59.04982	9.7
61.67257	5.3
67.05510	64.6
68.51174	3.9
69.03419	13.7
69.07067	23.2
69.87202	19.9
71.01338	4.2
71.05004	27.3
73.02913	4.4
73.06508	3.8
79.05057	6.4
79.05496	70.3
81.02993	5.7
81.03425	73.7
81.07068	69.8
82.44503	3.9
83.04974	19.3
83.08613	27.2
85.02911	15.3
85.06535	9.6
91.05479	58.6
93.06480	6.1
93.07043	69.5
93.52081	4.7
95.04975	40.3
95.08614	39.1
97.02870	10.9
97.06516	15.2
97.10178	20.4
98.21372	6.7
99.04453	5.3
105.07037	49.1
107.04939	22.4
107.08594	40.1
109.06508	12.3
109.10162	18.5
111.04436	19.1
111.08074	14.0
117.06992	20.2
119.08598	34.1
121.06508	14.3
121.10159	47.7
123.04440	9.4
123.08052	11.3
123.11700	6.5
125.09628	17.9
127.03947	6.7
129.06987	18.4
131.08591	34.1
133.10147	35.4
135.04417	11.4
135.08011	11.1
135.11688	12.1
137.05951	12.2
137.09612	9.9
143.08511	8.0
145.06483	4.8
145.10149	20.7
147.08072	9.9
147.11696	34.8
149.09639	37.7
151.07503	4.6
151.11143	5.0
153.05496	7.6
153.09045	6.9
153.12787	5.6
155.08575	7.7
157.10114	18.4
159.08076	8.4
159.11711	7.8
161.09669	4.8
161.13228	5.4
163.11186	22.8
167.10661	4.5
169.10106	5.8
173.09601	5.6
173.13338	5.6
175.11229	27.9
177.12704	4.0
181.12260	13.0
182.15919	3.8
185.09674	4.1
189.11189	16.2
189.12730	6.7
191.10707	8.2
193.12241	52.4
197.15361	4.8
199.13219	5.3
201.12830	5.5
201.79323	4.2
203.14391	6.7
207.08241	4.2
207.13751	6.0
209.11729	14.2
211.11305	7.9
211.13266	76.1
221.15417	5.3
225.14833	15.3
227.12737	15.3
231.13817	7.0
236.81712	4.0
249.14842	15.6
259.20496	7.1
267.15958	11.2
283.15433	9.9
294.56680	4.3
337.21494	5.5
355.22516	7.6
365.20886	8.4
383.21985	18.5
401.23526	20.5
433.25943	21.0
457.25540	9.3
475.26984	26.0
489.28345	5.3
493.28107	26.9
507.29596	79.4
525.23126	18.2
525.30341	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.0
55.01868	11.9
55.05516	33.5
57.03432	9.9
57.07077	6.5
59.05003	11.1
65.03944	4.0
67.05177	4.4
67.05510	57.2
69.03432	10.2
69.06776	2.1
69.07074	22.8
69.34331	2.7
70.37245	3.6
71.05000	26.8
79.05498	63.0
81.03426	55.9
81.07064	71.1
83.04987	21.5
83.08617	21.9
85.02920	11.2
85.06581	11.7
85.91602	2.1
87.04437	4.1
91.05485	61.1
93.07055	52.4
94.28862	2.6
95.04987	30.1
95.08619	31.9
97.02895	6.3
97.06537	12.8
97.10171	17.5
99.04455	3.2
99.08110	3.0
105.07041	38.8
105.07705	4.2
107.04979	18.0
107.08605	39.7
109.02872	5.9
109.06535	13.2
109.10159	19.4
111.04455	12.6
111.08078	7.1
113.06012	3.7
115.05506	3.9
117.07047	13.9
119.04933	2.9
119.08591	31.7
121.06564	7.4
121.10147	36.5
123.04422	8.7
123.08089	7.8
123.11752	2.7
125.05979	3.1
125.09638	18.1
127.03914	5.8
128.06207	3.2
129.07034	17.2
131.08575	28.7
133.06516	4.3
133.10158	25.5
135.04439	9.1
135.08054	8.2
135.10825	2.5
135.11716	13.0
137.05995	5.7
137.09628	4.1
139.11157	2.5
141.06990	3.2
142.07787	3.7
143.08575	8.1
145.06461	6.1
145.10139	17.6
147.04459	3.2
147.08047	7.0
147.11691	26.3
149.02362	6.3
149.06020	2.8
149.09637	26.7
151.07513	3.7
153.09105	7.9
153.12773	7.4
155.08574	3.0
157.10152	22.8
159.11739	4.3
161.09676	3.1
161.13306	4.2
163.11177	18.4
165.12746	5.1
167.10651	3.8
169.10190	2.4
171.08072	3.3
171.11649	3.0
173.09668	6.2
173.13249	3.8
175.11195	19.9
181.12294	8.8
183.11723	3.8
185.13303	3.5
187.11160	3.1
187.14769	3.0
189.09793	2.2
189.11240	13.2
189.12680	2.9
191.10716	7.6
193.12253	44.7
195.11893	2.5
197.15385	7.3
199.13353	6.8
203.14293	2.6
205.12297	3.4
207.13896	2.7
209.11729	8.4
211.13289	56.1
216.04156	3.7
225.12907	3.0
225.14740	11.4
227.12785	13.2
231.13867	3.9
249.14816	16.6
259.15512	3.3
267.15878	15.7
281.17551	3.3
283.15485	10.4
287.05496	11.4
294.22818	2.8
315.05127	3.8
329.10065	3.1
337.21533	6.2
345.20602	4.6
355.22754	10.8
365.21317	8.1
373.23752	5.9
383.22131	19.6
401.23248	20.7
415.24792	5.3
419.24316	4.0
421.25992	6.7
421.85678	2.5
433.25903	18.1
457.26028	8.7
475.26962	26.0
489.28186	6.9
493.28009	20.9
507.29599	64.9
525.15002	35.4
525.30536	100.0
537.71680	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	525.0109
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15575	0.6
56.96568	4.7
66.00407	0.6
67.38453	0.6
70.52568	1.4
70.52910	0.8
71.95228	1.5
75.15650	0.6
80.21942	0.6
98.97588	95.1
116.98627	40.4
134.99654	9.4
140.00200	1.0
161.52209	0.6
169.24542	0.6
171.55013	0.6
175.53510	0.6
214.95856	0.9
216.98877	2.8
219.01936	0.6
232.96643	0.9
234.99895	4.4
240.98766	10.0
256.96884	2.3
257.96936	1.8
258.99814	100.0
260.00116	1.4
261.00180	1.1
261.03122	3.6
274.97763	7.2
275.98001	1.8
277.00858	75.9
278.01080	1.4
279.01303	0.8
282.01471	2.3
283.00009	24.1
284.00070	2.6
284.99948	0.8
292.98889	1.6
298.97800	6.5
299.97940	3.7
300.02435	1.7
300.97760	1.1
301.01035	19.9
302.01321	1.5
303.00803	1.5
314.95667	0.8
316.98865	9.2
317.98898	3.4
318.98846	0.8
319.02307	0.8
322.98190	0.9
335.00156	1.0
340.99234	1.7
359.00092	9.4
360.00308	0.8
364.99231	1.7
382.99945	31.3
384.00293	1.1
401.01059	99.3
402.01334	2.5
403.00922	0.9
416.99005	1.0
419.02243	8.5
424.02573	4.5
425.01263	1.9
440.99350	3.2
441.98972	5.0
443.02643	3.3
458.99850	2.3
460.00107	3.4
460.99710	0.8
483.00204	1.8
484.00110	0.8
500.98767	0.6
507.00339	5.3
525.01263	69.0
526.01184	2.6
542.98529	3.5
548.03119	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.306
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
50.89442	2.0
53.03944	4.3
55.01863	6.0
55.05516	21.5
57.03435	8.9
58.58116	1.7
59.04989	8.9
64.66102	1.9
65.03935	5.2
67.05173	3.4
67.05505	43.9
69.03432	4.5
69.07070	12.1
69.56459	13.3
71.01333	2.3
71.04993	18.6
79.05061	3.3
79.05498	44.5
80.12966	1.8
81.03421	43.0
81.07062	38.6
83.04987	12.5
83.08614	17.0
85.02910	6.4
85.06539	5.7
87.04432	3.1
91.03951	2.1
91.05482	39.4
93.07047	38.7
95.04980	22.5
95.08607	18.4
97.02911	7.1
97.06531	10.8
97.10176	13.3
99.04513	2.4
99.08086	2.1
103.05461	2.3
104.03281	1.8
105.07043	29.4
107.04974	12.0
107.08611	29.1
107.97092	1.9
109.02886	3.9
109.06514	8.8
109.10149	11.9
111.04458	8.2
111.08104	11.7
115.05450	2.9
117.07002	10.2
119.04879	2.8
119.08602	19.9
121.06493	4.2
121.10144	23.2
123.04430	5.7
123.08108	3.0
123.11691	3.4
125.05996	2.5
125.09647	11.1
126.20657	1.8
129.06992	15.9
131.08578	22.0
133.06488	3.8
133.10139	19.8
135.04433	9.4
135.08054	6.7
135.11685	7.1
137.05977	5.3
142.07738	3.9
143.08621	3.7
145.06502	2.3
145.10146	9.0
147.08076	7.2
147.11693	18.1
149.09637	21.6
149.13304	2.5
153.09135	4.8
153.12755	7.0
155.08571	4.3
157.10138	13.6
159.11720	3.2
163.11154	9.4
165.12849	2.5
167.10692	2.0
169.10115	2.7
171.11639	2.6
173.05960	2.2
173.09619	4.7
175.11166	16.0
181.12227	5.7
185.13341	3.0
189.11212	7.7
189.12813	3.6
191.10709	4.8
193.12265	39.5
197.15414	3.9
199.13339	5.5
205.12257	2.1
209.11659	10.1
211.11327	3.7
211.13309	58.0
213.12730	3.0
223.13248	2.7
225.14841	12.4
227.12746	10.9
229.12254	2.6
231.13744	3.5
235.13362	3.1
249.14925	14.3
267.15997	8.7
281.17599	2.2
283.15466	8.9
329.48154	2.2
337.21692	4.4
355.22787	7.0
365.21121	8.6
373.23746	2.5
383.22195	19.2
401.23123	17.6
407.73825	2.9
415.25494	2.4
419.24405	4.0
433.25848	14.1
451.26804	4.1
457.25992	6.0
475.26938	24.0
489.28622	4.9
493.27881	20.7
507.29581	68.1
525.30573	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18592	1.0
53.03942	2.1
55.01860	1.1
55.05514	12.9
57.03439	14.2
57.07075	4.8
59.04988	4.0
65.03931	2.3
67.05510	100.0
69.07076	8.5
69.16080	5.8
69.16503	4.9
71.04987	3.3
71.08631	1.7
71.45953	1.2
76.98652	1.1
77.40062	1.0
79.05063	1.7
79.05495	21.8
81.03423	5.3
81.07062	40.9
82.03777	1.3
83.08628	10.4
85.06553	2.0
91.05489	14.0
93.06485	1.6
93.07050	25.8
95.04968	3.2
95.08616	28.3
97.06542	1.8
97.10171	2.3
105.07046	8.8
107.08604	16.1
109.06566	1.3
109.10162	79.7
111.08096	3.0
117.07055	1.6
119.08591	9.9
121.10154	10.8
123.11690	3.5
125.09593	2.0
131.08585	5.1
133.08687	1.3
133.10120	6.0
135.11691	7.0
137.09610	4.2
137.13286	1.6
145.10127	3.9
147.11684	3.7
147.35860	1.0
149.13252	3.4
155.10693	7.0
159.11671	4.1
161.13281	3.4
166.14659	0.9
173.11787	23.4
173.13300	3.1
187.14835	1.7
195.67445	1.1
199.24701	1.1
227.12730	2.0
229.14363	86.3
243.21074	3.9
261.22180	13.4
267.15869	2.9
268.16290	2.7
308.61633	1.2
313.27264	1.9
314.27762	2.9
317.24774	4.2
335.25815	87.4
397.31506	1.1
427.35825	1.0
468.77249	1.0
472.30295	1.1
489.35770	46.3
506.39087	3.8
524.40692	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
55.05515	4.7
57.03440	1.7
59.30031	0.9
61.11413	0.9
65.03931	1.5
67.05176	1.6
67.05508	24.7
67.70101	1.0
69.07066	6.7
70.77964	2.6
72.89848	0.8
79.05494	10.9
81.07060	24.6
83.08627	5.8
85.04860	0.9
85.06542	1.6
91.05488	15.2
93.07059	12.1
95.08615	22.2
97.06531	3.0
97.10154	3.0
105.07011	3.2
107.08604	9.3
109.10167	10.9
111.08073	1.9
117.07024	2.0
119.04951	18.6
119.08573	4.3
121.10153	15.1
122.58767	1.0
123.11729	4.6
130.67508	0.9
131.08577	5.6
133.10143	9.8
135.11700	11.6
137.09593	1.5
145.10123	3.5
147.04417	100.0
147.11684	1.8
149.13231	3.0
151.11205	2.2
159.11777	1.9
165.05458	7.3
173.13289	1.4
215.17961	9.9
221.08084	4.0
233.18999	11.2
235.20552	3.9
251.20056	7.9
255.41846	1.1
289.21582	3.6
307.22635	5.5
325.23740	56.4
343.25027	1.5
471.27115	4.9
489.28525	22.7
515.77814	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3714
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05506	0.7
56.05031	1.2
57.03441	0.6
57.07081	3.3
58.06577	1.5
60.08167	15.8
66.85738	0.2
67.05515	0.9
69.07062	0.8
70.97737	0.5
71.07378	6.8
71.08637	2.3
75.55651	0.3
79.05486	0.3
81.03414	0.6
81.07054	1.2
82.03746	0.3
83.08603	0.6
85.10176	1.1
86.09709	52.4
91.05518	0.4
95.08628	1.4
97.10200	0.4
98.98480	3.6
104.10749	100.0
107.08603	0.4
109.10167	1.0
113.19842	0.3
119.08542	0.3
123.11673	0.3
125.00011	27.2
125.73732	0.3
163.01607	0.6
184.07347	95.2
193.92500	0.3
258.11017	1.1
267.16116	0.3
341.30585	1.3
349.17981	0.3
447.28992	0.4
506.36057	9.2
514.92139	0.3
524.37128	43.5
525.37347	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.3
55.05520	17.1
57.03439	22.8
57.07077	37.9
67.05505	53.7
69.03411	2.6
69.07074	13.2
70.69146	7.0
71.05009	3.5
71.08637	29.9
72.56471	2.4
78.59543	2.5
79.05494	18.3
81.03424	80.2
81.07063	35.0
83.04958	4.6
83.08624	25.5
85.10184	16.2
90.38659	2.3
91.05492	24.2
93.07043	19.7
95.04975	21.0
95.08612	26.6
97.10185	4.7
98.75095	2.2
99.08068	8.5
105.07033	20.6
107.04939	8.9
107.08575	9.4
107.43581	2.1
109.06513	4.1
109.10161	35.6
111.08080	7.8
119.08560	9.6
121.06444	2.8
121.10152	11.3
123.11667	3.4
129.07036	10.4
131.08569	8.5
133.10106	5.3
135.11668	7.0
142.07738	2.5
147.08133	2.5
147.11673	8.4
149.13266	2.9
151.11143	2.9
155.10745	3.1
157.10126	7.7
159.08171	2.3
161.13208	2.7
173.11729	6.5
175.11140	11.4
179.14319	22.1
193.12271	34.7
211.13283	6.7
213.05528	2.3
229.14377	33.7
239.23656	5.6
241.32751	2.7
249.14828	5.8
257.24789	3.6
265.06970	2.3
267.13080	4.6
267.15918	95.7
277.21619	13.7
313.27386	100.0
351.25281	7.3
446.24875	2.5
496.78946	2.6
505.38431	46.1
523.39392	8.9
549.48163	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	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08729	0.7
53.03942	2.5
55.01868	1.3
55.05512	12.6
57.03444	7.6
57.07079	34.5
64.95645	0.6
65.03934	1.6
67.05508	22.4
69.03421	1.6
69.07067	9.5
69.27357	4.7
71.05000	3.0
71.08234	1.0
71.08634	22.4
79.05502	11.8
81.03422	31.9
81.06583	1.4
81.07059	26.6
83.04986	5.2
83.08147	1.5
83.08624	20.3
85.02906	15.9
85.06574	1.6
85.10184	14.1
91.05483	18.2
93.07036	9.5
95.04969	13.0
95.08607	24.0
97.02917	1.8
97.06540	1.5
97.10171	6.5
99.08103	1.6
99.43764	0.7
105.07031	12.2
107.04959	2.7
107.08608	4.5
109.06497	1.8
109.10149	10.0
111.04456	0.8
111.08102	4.6
113.06017	1.5
117.07000	1.4
117.69070	0.7
119.08574	11.2
121.06460	1.1
121.10129	6.6
123.11713	3.7
125.09620	1.1
127.07575	0.8
129.07021	5.9
131.08578	6.3
133.06512	1.1
133.10127	5.3
137.09669	0.9
137.13286	1.5
142.07784	1.8
145.10199	0.8
147.08022	1.1
147.11682	9.5
149.09622	5.2
157.10118	8.3
163.11179	0.8
165.12791	1.0
175.11186	8.7
193.10442	1.0
193.12251	26.1
211.13290	31.3
229.14348	0.8
239.23743	5.9
249.14726	0.9
267.13043	0.9
267.15921	16.6
313.27380	17.6
505.39035	6.3
523.39966	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.8
57.03436	14.9
57.07079	46.9
67.05515	23.4
69.07062	13.6
71.03179	4.0
71.03503	5.2
71.04979	4.1
71.08633	25.1
79.05495	8.4
81.03419	74.1
81.07058	25.9
82.52484	3.3
83.04963	5.8
83.08631	29.4
85.02907	8.2
85.10192	15.4
91.05494	21.0
93.07047	12.5
95.04985	21.1
95.08623	26.9
97.10146	6.6
105.07027	14.5
107.04975	6.1
109.10163	12.6
109.52563	3.3
111.08092	8.0
112.95982	3.2
119.08603	10.6
121.10136	5.9
129.07042	4.0
131.08623	6.9
133.10178	6.0
135.51161	3.7
147.11667	6.5
149.09587	5.7
157.10123	6.7
175.11163	11.0
188.23999	3.4
193.12230	39.2
211.13354	18.3
239.23705	5.6
249.14896	6.7
267.13071	4.9
267.15933	100.0
270.88629	3.4
313.27396	93.1
505.38898	56.4
523.40051	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81708	1.1
53.03941	1.4
53.49333	0.9
53.49625	1.1
55.05510	11.2
57.03458	1.3
57.07079	33.8
65.03959	1.9
67.05505	32.5
67.20452	1.1
69.07071	16.8
71.04979	1.8
71.08636	25.9
71.54592	1.0
73.06564	1.2
79.05492	12.6
81.07058	70.6
83.04977	2.8
83.08621	16.1
85.06543	4.4
85.10191	12.5
91.05482	16.6
91.59959	1.2
91.74419	1.2
93.07042	8.4
95.04999	1.9
95.08611	31.3
97.06543	5.0
97.10181	6.1
99.08089	3.0
101.06022	1.7
105.07025	27.8
107.08566	5.6
109.06523	2.2
109.10178	11.3
109.59939	1.2
119.08584	19.1
121.10150	15.1
123.08086	3.0
123.11710	27.4
127.07523	2.2
133.10103	1.3
133.57883	1.1
137.13266	3.0
147.11691	49.2
149.13333	1.0
165.12753	25.9
183.13882	5.0
193.12305	2.5
229.14357	5.3
239.23773	6.0
239.25969	1.2
267.15936	40.7
391.29425	1.2
523.40002	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.1
53.03950	2.7
54.61638	1.1
55.05511	16.6
57.03437	3.2
57.07081	6.5
59.04988	3.1
65.03919	2.0
65.22989	1.1
67.05177	1.8
67.05508	27.6
69.03440	6.2
69.07071	54.5
69.57072	4.1
69.57492	3.9
71.05006	7.9
73.06538	1.5
79.05490	15.7
81.03422	3.1
81.07060	100.0
82.07393	3.1
83.04990	7.7
83.08624	15.0
85.02896	7.8
85.06555	13.1
85.10179	1.4
87.04469	1.3
91.05482	11.6
93.07049	43.7
95.04984	9.2
95.08612	69.5
97.02889	2.6
97.06544	6.5
97.10183	6.1
98.20717	1.3
99.08105	11.6
101.06062	1.1
105.01842	1.6
105.07030	22.6
107.04909	1.1
107.08596	35.8
109.06491	4.4
109.10161	45.4
111.08086	8.9
111.11732	11.9
113.09657	3.0
115.07637	1.7
117.07023	2.1
118.04556	1.2
119.08588	19.4
120.08926	2.9
121.06527	2.2
121.10149	29.2
122.10459	1.5
122.52592	1.4
123.08088	2.3
123.11713	34.1
125.09655	3.0
125.27072	1.5
127.03928	2.1
127.11183	3.8
131.08539	4.0
131.46913	1.2
133.10132	13.3
134.10486	1.6
135.08121	1.7
135.11697	28.2
136.12000	2.7
137.09584	4.1
137.13252	14.3
139.11185	9.3
141.12744	3.1
143.10693	1.5
145.10126	6.8
147.11699	15.4
149.13280	13.4
151.11186	4.0
151.14818	2.4
153.12752	13.3
155.10674	1.4
155.14351	1.8
157.12192	2.4
159.11702	10.4
161.13261	8.9
163.11197	3.1
163.14857	7.1
165.12709	6.5
167.14264	3.8
169.12186	2.1
173.13214	2.8
175.14818	4.3
177.12671	2.0
177.16396	5.7
181.12181	3.5
183.13928	1.6
187.13254	2.5
187.14789	3.0
189.16389	4.6
191.17897	2.5
195.17453	3.5
201.16393	3.1
203.17932	4.8
204.18275	3.0
209.18936	2.1
213.18544	3.1
215.17885	3.2
221.18973	4.0
222.19307	2.3
233.19089	2.2
251.20088	3.0
265.16553	1.4
271.05881	2.8
271.24130	6.6
277.25211	6.7
279.26715	1.5
289.25244	18.0
295.26334	17.4
299.05261	2.1
307.26315	33.1
313.27255	1.6
325.27353	17.0
327.33591	1.2
343.28323	2.4
350.06232	1.5
486.96677	1.3
523.12079	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	522.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.4
55.35838	0.1
56.05039	0.5
56.11504	0.1
57.03438	0.3
57.07097	0.1
58.06628	0.4
58.43821	0.1
60.08167	5.8
61.02913	0.1
62.27454	0.1
67.05519	0.7
69.07067	0.5
69.77522	0.7
70.06588	0.2
71.07374	2.6
79.05504	0.4
81.07064	0.8
81.07471	0.1
83.08633	0.4
85.02899	0.2
86.09708	27.6
93.07024	0.4
95.08607	0.4
97.10198	0.2
98.98472	2.5
99.29845	0.1
104.10751	3.0
105.07048	0.2
107.08636	0.2
109.10173	0.5
113.68128	0.1
119.08546	0.2
125.00010	19.4
134.02637	0.1
159.42484	0.1
175.11226	0.1
184.07347	100.0
185.07697	0.2
222.89607	0.1
258.10931	0.2
339.28970	0.1
381.00500	0.1
504.34244	1.7
522.35529	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	522.3557
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05516	2.1
56.05030	1.1
57.03437	0.8
57.07076	0.9
58.06580	1.5
59.07389	0.5
60.08166	18.2
64.08766	0.3
67.05512	2.6
69.07071	3.2
71.07378	7.2
71.08630	0.5
79.05495	1.2
81.07070	2.1
83.08613	1.2
86.09708	50.6
88.10660	0.3
88.43709	0.3
91.05457	0.7
93.07030	1.6
95.08620	2.1
97.10163	0.8
98.98466	3.9
104.10748	100.0
105.06991	0.3
107.08611	0.7
109.10174	1.1
121.10133	0.9
125.00008	27.4
135.11707	0.7
145.10062	0.4
163.01576	0.8
184.07346	93.6
207.13805	0.5
233.22743	0.5
251.23732	0.6
258.11072	0.8
325.27390	0.6
339.29044	1.2
487.30386	0.4
504.34470	9.4
522.35565	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	522.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
55.01856	2.8
55.05514	14.4
56.62935	1.9
57.03428	6.2
57.07068	4.8
59.05002	11.0
64.12109	1.9
67.05506	20.3
69.03431	17.3
69.07074	39.7
69.91407	1.9
70.54523	5.5
71.04993	6.0
72.08179	2.5
73.02902	1.8
74.58938	1.7
79.05488	19.2
81.03411	4.0
81.07059	100.0
83.04964	1.9
83.08619	11.2
85.02896	13.7
85.06564	3.5
87.04476	6.8
90.84675	1.8
91.05479	9.7
93.07034	23.6
95.04975	3.3
95.08613	40.2
97.02889	16.1
97.06514	9.8
97.10140	3.1
105.07042	25.4
107.08601	38.7
109.02883	2.3
109.06551	5.4
109.10168	32.5
111.08111	4.4
111.11720	5.2
115.03944	11.1
119.08567	26.3
121.10151	23.3
123.08086	3.6
123.11715	30.1
125.09633	6.7
127.03940	5.0
127.11216	2.1
133.04976	7.2
133.10126	29.1
135.11684	16.2
135.19913	1.9
137.05966	6.3
137.09616	4.6
137.13196	2.7
138.77153	1.8
139.11203	5.0
145.04991	4.1
145.10133	3.7
147.11700	33.6
149.13275	25.0
151.11229	3.7
153.12715	9.1
161.13275	11.1
163.14830	8.1
165.12804	10.5
175.14795	14.9
175.27274	1.9
193.15849	12.4
203.17973	32.0
211.15407	1.2
211.16931	45.3
221.19003	54.7
239.20248	4.8
306.25082	2.8
328.25897	2.2
393.18246	2.3
522.22375	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	522.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.8
55.01871	3.5
55.05508	14.0
57.03430	3.8
58.24462	1.5
60.08147	5.5
67.05510	30.4
69.07062	11.4
70.06569	1.6
71.07365	2.7
71.08620	2.4
72.28590	1.8
77.03909	2.0
79.05498	51.1
80.36578	1.6
80.52567	1.8
81.03409	10.3
81.07063	28.0
83.04993	9.1
83.08595	5.9
85.02892	2.5
86.09711	15.0
91.05490	41.1
93.07053	47.8
95.04980	16.4
95.08609	19.9
97.06516	3.6
97.10179	4.2
104.10732	2.7
105.07039	29.7
107.04930	6.1
107.08595	16.5
108.19769	1.8
109.06503	5.3
109.10155	6.1
117.06996	5.9
118.44970	1.8
119.08588	18.8
121.06483	2.5
121.10141	4.6
123.08046	4.0
125.00013	11.5
128.06175	3.1
129.06985	11.6
131.08630	2.2
133.10092	5.5
135.11742	2.5
143.08525	8.0
145.10121	5.1
147.11693	29.6
161.09724	2.7
161.13246	7.9
171.11681	18.0
184.07344	62.5
189.12738	9.4
207.13831	26.6
216.17570	2.1
225.14821	2.1
239.49254	2.1
281.17480	55.0
338.84503	1.8
469.29849	2.1
487.30554	100.0
504.34219	2.3
522.22644	2.1
522.37000	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	522.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07693	0.3
65.03934	0.4
67.29018	0.3
70.32729	0.3
71.52418	0.4
72.26922	0.3
85.02920	0.6
91.05484	5.9
97.02895	0.6
98.93115	0.3
104.07088	0.4
105.07032	4.9
119.04955	15.4
120.39649	0.3
122.09699	3.0
131.04900	0.4
145.05029	0.4
147.04422	100.0
148.04736	0.5
150.66040	0.3
163.07440	0.3
245.01883	0.3
282.84021	0.3
309.09619	0.7
325.09189	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	522.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51609	0.1
65.03625	0.1
65.03947	0.5
69.03426	0.5
69.60629	0.8
70.06595	0.2
84.08165	0.2
85.02911	0.5
91.05486	4.7
95.04968	0.1
95.08664	0.1
97.02893	0.3
98.20794	0.1
103.05478	0.3
104.07124	0.1
119.04950	14.2
120.08136	0.2
123.04433	0.3
127.03933	0.3
131.04941	0.6
132.05367	0.2
137.05965	0.2
145.04953	0.2
147.04417	100.0
148.04790	0.5
163.07544	0.5
165.05518	0.1
179.27943	0.1
198.02370	0.2
203.10779	0.2
291.08710	0.2
309.09705	0.8
325.09198	3.2
333.12347	0.1
364.57407	0.1
469.75150	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	521.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00161	1.4
53.03938	5.6
55.01879	2.0
55.05273	2.4
55.05518	28.0
57.03445	17.5
57.07079	12.1
67.05508	18.4
69.03418	2.6
69.06683	2.0
69.07071	31.5
69.32851	13.3
71.05015	2.7
71.06519	1.4
71.08636	8.8
79.05497	14.1
80.71886	1.5
81.03424	78.6
81.07057	17.2
83.04976	7.4
83.08623	35.9
85.02892	2.0
85.10172	1.9
87.82738	1.4
91.05491	19.6
93.07056	12.8
95.04984	19.4
95.08613	13.1
97.02862	3.1
97.06558	3.1
97.10181	19.6
105.07023	16.3
107.04958	3.0
107.08595	7.4
109.06499	2.7
109.10150	4.0
111.04458	2.0
111.08104	3.9
111.11718	4.0
117.07021	2.2
119.08617	12.4
121.06559	2.7
121.10136	8.5
123.11723	2.5
129.06995	9.8
131.08583	5.1
133.06514	2.7
133.10153	4.0
135.11679	5.4
137.09596	2.8
145.10118	2.6
147.08054	1.8
147.11690	7.2
149.09647	5.3
157.10138	6.1
163.11211	3.4
165.12761	2.9
175.11168	6.8
193.12257	36.5
209.11839	2.2
211.13211	4.3
227.12801	4.6
249.14838	2.1
267.15942	100.0
281.26251	1.9
311.25839	54.9
312.43170	1.6
395.92731	1.7
401.93292	1.8
429.33646	3.2
452.62936	1.7
503.30560	2.0
503.37372	25.9
521.38202	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01867	2.5
55.05514	15.5
57.03434	1.7
57.07078	31.2
63.65928	0.8
65.03934	1.0
67.05505	24.2
69.03438	1.1
69.06727	1.1
69.07070	13.6
71.04985	3.0
71.08634	20.8
73.02903	1.2
75.84585	0.9
78.15314	1.0
79.05069	1.6
79.05498	23.3
81.03398	1.8
81.06585	2.0
81.07060	36.9
83.04997	4.7
83.08622	15.1
85.10187	10.6
91.05476	8.4
93.07047	35.2
95.04966	8.3
95.08613	50.2
97.02887	3.0
97.06534	3.6
97.10173	5.9
98.21539	2.0
99.04459	4.7
101.76736	0.8
105.07037	8.5
107.04967	8.6
107.08599	26.3
109.06525	1.8
109.10173	10.0
109.58372	0.8
111.04464	2.1
112.03310	0.8
113.06026	1.1
117.07019	9.0
119.08578	11.1
121.06500	7.2
121.10139	13.1
123.11715	3.5
125.05983	2.5
130.07738	1.8
131.08565	0.8
133.10130	2.6
134.13733	0.9
135.08072	1.3
135.11696	40.4
137.13223	0.9
139.07535	1.1
145.10130	25.0
145.11282	1.2
146.11345	0.9
146.61682	0.8
147.11691	3.1
152.97833	0.7
163.11186	45.1
181.12260	12.0
209.11871	2.2
227.12788	100.0
229.53165	0.8
239.23764	3.7
264.31689	1.0
267.15942	2.9
342.07874	0.9
426.79279	1.0
453.75500	1.0
454.86588	0.9
461.22919	1.0
471.15912	0.8
521.25763	2.5
521.38379	99.5
522.38873	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.3
55.01871	0.8
55.05515	6.0
57.03439	2.2
57.07077	0.9
63.02367	0.4
65.03925	0.4
67.05504	8.5
69.07068	7.8
71.04980	0.8
73.02892	0.2
75.15324	0.2
78.04706	0.2
79.05492	3.7
81.03392	0.2
81.07056	10.2
83.04978	0.5
83.08620	3.9
85.06535	0.7
89.03916	4.3
91.05485	2.8
93.07047	3.7
95.04974	0.4
95.08606	8.9
97.06549	1.1
97.07054	0.2
97.10167	3.3
99.08096	0.3
101.95330	0.2
103.05497	0.2
105.07034	1.4
106.04185	0.3
107.08591	2.3
109.06554	0.2
109.10159	4.9
111.08080	0.7
111.11710	1.4
113.09682	0.2
117.03378	13.4
119.08591	1.8
121.06477	0.2
121.10143	2.7
123.08052	0.4
123.11694	1.1
125.09631	0.5
125.13226	0.3
129.05447	0.4
131.08580	0.3
133.10147	1.7
134.03633	1.2
135.04399	1.2
135.11697	2.8
137.09610	0.5
137.13219	0.4
139.11168	0.4
141.09085	0.2
145.02844	38.0
145.10066	0.2
146.03152	0.3
147.11688	1.3
149.05977	5.0
149.09573	0.2
149.13269	0.6
151.11156	0.5
151.14848	0.3
152.73969	0.2
153.05515	0.2
153.12732	0.6
158.06015	0.3
161.13231	1.1
162.03130	0.7
163.03932	1.8
165.12749	0.5
175.14844	0.5
177.05466	100.0
178.05821	0.5
179.14246	0.4
185.89859	0.2
186.05495	1.9
187.30928	0.2
195.06525	14.8
217.19562	2.0
229.14346	0.6
235.18448	0.3
235.20570	3.0
251.09212	1.2
253.21587	1.0
259.20355	0.2
275.20062	0.8
309.24176	2.9
327.25290	19.0
349.23663	0.4
364.28464	0.2
503.29126	0.5
521.30817	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.5
55.01870	14.2
55.05513	49.5
56.96600	3.8
57.03443	6.9
57.07073	4.7
61.02919	4.5
67.05508	80.7
69.03436	32.8
69.07071	25.7
70.21990	6.0
71.04989	12.4
73.02895	4.7
74.33351	3.2
79.05497	78.9
81.03425	40.6
81.07062	77.5
82.78849	3.1
83.04990	11.3
83.08619	18.2
85.02904	25.5
85.06533	4.4
91.05485	87.4
93.07051	100.0
93.07635	5.8
95.04980	14.9
95.08613	58.9
97.02902	19.2
97.06544	11.6
97.10173	9.7
99.04478	3.8
99.08098	3.6
103.03926	5.7
105.07037	90.5
107.04964	7.8
107.08607	56.2
109.02891	9.7
109.06529	5.7
109.10165	33.6
111.04446	9.5
111.08083	8.9
115.03944	5.2
116.19744	4.1
117.07034	35.3
119.08591	72.6
121.06496	6.3
121.10144	42.9
123.08092	6.0
123.11742	8.3
127.03938	8.5
128.06238	9.2
129.07010	25.9
131.08577	59.0
133.06516	7.6
133.10141	52.0
135.08057	4.7
135.11687	39.5
139.11176	3.5
141.07013	14.4
143.08559	29.9
145.05003	4.4
145.10130	47.8
147.08058	7.1
147.11723	34.9
149.09613	7.8
149.13266	15.5
151.07451	3.8
151.11201	3.9
155.08569	13.7
157.10135	27.6
159.08073	7.2
159.11710	42.0
161.09641	6.5
161.13269	19.1
163.11131	6.6
167.08548	5.8
169.10168	13.7
171.08046	6.3
171.11710	25.2
173.09607	5.8
173.11850	6.4
173.13177	20.4
175.11165	7.0
175.14836	7.8
177.05232	3.8
181.10147	11.1
183.11693	14.6
185.07767	3.0
185.09647	4.0
185.13336	10.8
187.11142	5.7
187.14812	8.1
195.11635	8.2
197.13286	7.7
199.14824	10.7
201.12695	4.0
203.14374	3.6
209.13326	5.8
210.11273	3.2
211.11105	4.5
211.14827	7.0
213.16371	3.9
227.14447	3.8
229.14317	12.2
231.21021	5.0
237.12830	4.0
241.19473	5.5
251.14088	3.4
257.19031	13.9
259.20557	34.5
261.22189	5.3
271.20630	11.5
273.22339	3.9
275.20114	26.1
277.21649	10.3
283.20682	4.5
285.22031	4.7
289.21585	9.5
293.21173	5.5
297.22302	4.9
301.21622	28.7
313.21579	14.6
317.21072	4.0
319.22650	7.1
325.21552	6.3
339.23367	6.1
343.22690	4.5
357.24167	8.1
367.22720	31.1
385.23755	61.5
403.24738	50.4
421.25864	34.4
503.33871	12.6
521.35278	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	520.3401
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.05506	1.3
56.05030	0.8
56.07512	0.2
57.03418	0.3
58.06578	1.3
59.07387	0.3
60.08166	16.3
60.09535	0.3
60.20395	0.2
61.00916	0.2
67.05503	3.4
69.07063	1.4
69.18659	0.2
70.71976	0.6
70.72327	0.3
71.07380	6.4
79.05498	0.9
81.07059	2.2
83.08620	0.6
84.08152	0.3
86.09708	47.4
91.05505	0.8
93.07040	1.0
95.08609	1.8
98.98469	3.7
100.63573	0.3
104.10747	100.0
107.08599	0.6
108.51712	0.3
109.10168	0.6
125.00010	27.2
131.99231	0.3
133.10103	0.2
134.53995	0.3
163.01596	0.7
184.07344	95.8
218.77744	0.3
258.10992	1.1
337.27344	0.6
411.75546	0.3
443.25537	0.3
500.73035	0.3
502.32904	8.6
520.34009	37.0
521.34314	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06310	0.3
51.02391	0.5
53.03960	0.9
53.73533	0.4
63.29440	0.4
69.03434	0.4
69.71570	1.8
72.08137	0.4
77.03948	0.4
85.02914	0.7
91.05492	0.8
92.43851	0.4
95.04961	0.6
97.02902	0.6
102.04627	0.5
103.05479	53.8
105.07048	4.4
115.05466	1.2
119.04967	1.0
120.08086	0.5
121.10065	0.3
123.90275	0.4
127.03889	0.5
131.04944	100.0
133.02872	0.4
133.06520	3.5
137.05995	4.8
143.06085	0.5
147.04443	1.5
149.06128	0.4
161.06006	12.0
163.07558	30.9
172.05183	0.4
175.07524	0.8
179.07088	0.8
187.07585	1.1
279.10233	0.6
291.10138	0.7
299.71066	0.4
311.12720	1.1
359.21722	1.0
395.23642	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.3
56.05042	0.6
57.03440	0.2
58.06627	0.4
59.07403	0.1
60.08167	6.3
60.34535	0.1
62.93481	0.1
63.85892	0.1
67.05508	0.8
69.07059	0.4
69.57768	0.1
69.81316	0.5
70.29926	0.1
71.07378	3.1
74.32311	0.1
74.93416	0.1
79.05484	0.3
81.07064	0.6
86.09711	31.6
91.05489	0.3
93.07062	0.2
93.63325	0.1
95.08624	0.4
97.06554	0.1
98.98474	2.8
101.12598	0.1
104.10748	3.0
109.10154	0.2
119.08554	0.1
125.00012	21.4
128.02614	0.1
133.53444	0.1
143.01076	0.2
184.07350	100.0
185.07851	0.1
209.39154	0.1
235.81479	0.1
239.92899	0.1
258.11029	0.2
299.24908	0.1
337.27328	0.2
502.33105	1.2
520.34003	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	520.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25220	0.9
53.03952	5.7
55.05496	1.3
56.05022	0.9
58.39246	0.8
60.04531	19.4
69.03434	4.3
70.02956	1.1
70.06611	1.4
70.55531	2.9
71.04994	1.3
73.02908	2.2
74.06072	1.1
81.03423	8.4
83.04987	3.9
84.04510	3.0
84.20940	0.8
85.02912	6.0
88.04011	8.4
93.63184	0.8
94.06576	2.4
97.02910	5.9
98.06062	0.8
99.04468	12.2
103.03963	1.5
106.05038	24.8
107.04977	1.4
109.02888	72.3
116.03441	6.9
116.07131	1.0
122.06031	3.0
123.04449	5.6
126.05531	4.8
127.03927	61.0
130.04985	3.6
137.06004	1.4
140.07042	5.7
144.06534	2.8
145.04993	3.6
147.04419	1.3
150.05516	54.4
167.05682	1.0
168.06575	57.2
172.06071	4.3
172.66867	0.8
173.75264	0.9
178.05003	34.2
178.08635	1.4
186.07664	1.1
190.07127	5.6
196.06070	100.0
196.09663	4.5
196.13304	2.9
214.07117	45.0
223.88980	1.0
226.10786	1.2
232.08189	37.9
250.09222	4.6
253.07220	1.2
255.21663	0.9
271.08319	1.7
292.10474	1.0
314.12524	1.2
322.09244	3.5
340.10303	19.4
358.11343	28.2
376.12411	7.0
394.13269	6.1
412.65192	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19631	0.3
53.03953	0.6
55.01871	0.4
55.05518	2.7
56.07845	0.4
57.03429	1.7
63.02403	0.4
65.03969	0.4
67.05508	11.5
67.76522	0.4
69.07072	2.7
70.04564	1.3
70.04932	0.8
71.04993	0.4
79.05503	5.0
81.07066	12.1
83.05020	0.5
83.08618	2.5
89.03925	4.5
91.05481	4.1
93.07055	6.4
95.08612	11.5
97.06523	1.5
97.10168	1.0
105.07040	2.2
106.04189	0.4
107.08608	3.6
109.09548	0.5
109.10162	4.8
109.26535	0.3
111.08069	1.2
117.03387	14.0
117.07045	0.5
119.08582	1.7
121.10149	4.8
123.11713	2.0
131.08575	1.3
133.10146	3.8
134.03615	1.0
135.04437	1.0
135.11684	3.0
137.09608	0.6
137.13278	0.6
145.02855	40.2
145.10150	1.0
147.11647	0.8
149.06006	5.4
149.10599	0.4
149.13245	1.2
151.11169	1.0
159.11710	0.9
162.03131	0.5
163.03964	2.0
173.13225	0.4
176.01686	0.4
177.05481	100.0
186.05525	1.7
195.04742	0.9
195.06548	18.3
215.17947	2.3
233.19073	2.5
235.20560	0.7
251.09157	1.0
251.20117	3.7
325.23749	19.3
501.28818	0.8
519.29413	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	519.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01883	0.9
55.05515	5.4
57.03450	3.1
57.07054	0.7
57.57521	0.3
63.02365	0.4
65.03940	0.9
66.19627	0.4
67.05505	20.1
69.03436	0.4
69.06731	0.4
69.07073	6.2
71.53367	0.5
78.04735	0.5
79.05495	9.1
81.07059	19.1
83.04952	0.7
83.08616	4.7
83.78795	0.4
85.06555	0.6
89.03402	0.6
89.03912	7.0
91.05475	7.6
93.07047	9.5
95.04939	0.9
95.08608	18.1
97.06531	2.8
97.10172	2.0
99.08115	0.5
105.07028	3.8
107.04911	0.4
107.08598	5.7
109.06525	0.6
109.10159	9.4
111.04451	0.4
111.08079	2.2
117.03384	19.1
117.07031	0.8
119.04932	1.5
119.08576	2.9
119.59010	0.4
121.09340	0.5
121.10152	7.5
123.08090	0.7
123.11698	2.8
125.09604	1.0
129.05513	0.6
131.08571	2.2
133.10132	6.8
134.03624	1.6
135.04405	1.2
135.11708	6.0
137.09610	1.4
137.13271	1.2
139.11140	0.5
145.02849	47.8
145.10127	1.7
145.31775	0.4
147.04411	12.1
147.11714	1.8
149.05977	8.1
149.13274	2.2
151.11217	2.6
153.12833	0.4
155.10634	0.7
157.10065	0.4
158.06003	0.5
159.11702	1.2
161.13234	0.6
162.03148	1.2
163.03909	2.3
165.05490	1.4
165.12747	0.6
166.23647	0.4
169.83322	0.4
173.13246	1.1
177.05473	100.0
186.05467	2.7
187.14854	0.9
195.04738	0.7
195.06537	13.5
195.13756	0.5
215.07069	0.9
215.17963	5.1
223.13359	0.4
229.14339	0.7
231.35600	0.4
233.18967	5.9
235.20662	1.7
251.09225	1.0
251.20087	6.8
289.21600	0.6
291.19531	1.0
299.06134	0.7
307.22702	1.0
325.23749	24.0
355.28439	1.6
392.86194	0.4
424.76266	0.4
442.97522	0.5
501.28198	0.6
519.28815	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	519.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49021	0.3
51.33145	0.3
55.05538	0.4
69.07069	0.4
70.56345	0.3
70.56675	0.8
81.07057	0.6
82.68327	0.4
85.02898	0.5
93.07069	0.5
95.04975	0.3
95.08627	0.4
99.04482	0.4
105.07034	0.4
121.06465	0.4
125.05998	0.3
137.05986	0.8
145.10124	0.7
145.56711	0.3
150.81102	0.3
161.68217	0.3
173.09741	0.3
185.04137	0.4
187.11255	0.4
193.15996	0.4
203.05281	1.0
205.12231	0.7
215.10767	0.6
233.11882	0.5
259.07932	1.0
283.06265	0.6
342.85504	0.3
357.18777	3.0
443.19284	0.5
459.21921	0.8
487.21680	1.0
519.24176	100.0
520.24316	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01865	2.5
55.05503	2.4
57.03423	1.3
58.23919	0.9
67.05507	4.4
69.03439	2.3
69.07073	13.4
71.04993	2.9
79.05500	7.0
81.07058	10.4
83.04978	7.8
85.02918	3.2
85.06553	2.8
91.05485	7.2
93.07051	10.5
95.01330	1.7
95.04988	6.2
95.08617	3.8
97.06540	17.3
99.04457	8.5
99.08136	1.9
103.05433	1.2
105.01823	1.1
105.07040	15.6
107.04967	3.1
107.08600	7.7
109.06522	7.3
109.07167	0.9
109.10185	2.0
111.08089	2.4
113.06030	1.0
117.07036	4.0
119.04930	3.0
119.08569	5.2
121.06525	9.7
121.10125	5.4
123.08081	1.3
123.11737	1.1
124.28802	1.1
125.06001	17.3
125.09684	0.9
128.06223	1.1
129.07053	1.9
130.07848	2.1
131.08580	5.3
133.06508	2.8
133.10155	4.1
135.08127	2.0
135.11731	2.9
137.05997	6.7
139.07562	1.1
139.11223	1.5
141.01839	1.7
143.07047	10.4
143.08574	2.7
144.09357	1.3
145.06470	3.0
145.10136	29.4
147.11667	3.1
149.05992	1.5
151.07561	1.5
154.07764	1.9
155.08585	1.4
157.10184	1.4
158.07283	3.8
159.08075	1.9
159.11673	10.4
161.09669	1.6
161.13217	1.4
163.07616	1.6
163.11185	19.4
169.10211	4.2
172.08888	1.4
173.09645	20.6
177.12848	2.1
181.12199	1.2
187.11165	17.6
189.05319	1.7
189.12692	2.1
191.10730	8.4
203.05530	1.3
205.12241	14.8
207.13806	1.5
211.17117	1.1
215.10709	15.2
233.11739	21.6
234.30598	1.3
250.97890	1.0
251.12874	6.7
269.13812	2.0
303.23260	2.2
307.15305	1.2
321.24335	4.7
325.16525	3.2
339.25336	2.3
343.17517	1.5
357.18799	1.8
444.29123	1.1
519.24225	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1503
Annotation	Medicarpin 3-O-glucoside-6'-malonate
Peak:m/z	Relative Intensity
51.02375	0.2
53.03957	0.9
55.01874	0.6
55.05516	0.3
57.03438	0.6
61.02918	0.4
62.89557	0.2
65.03961	0.2
66.04716	0.4
67.05514	1.2
68.99793	0.6
69.03428	1.8
69.07087	0.4
69.35939	1.4
71.04981	0.5
73.02922	0.3
73.04768	0.2
79.05501	2.3
81.03426	2.2
81.07066	1.7
82.25395	0.2
83.04967	0.2
83.08621	0.3
85.02426	0.4
85.02909	4.5
87.00832	1.6
91.03996	0.3
91.05474	0.9
93.07047	0.5
94.04189	0.6
95.04982	1.8
95.08618	0.3
97.02899	1.6
97.06528	0.2
99.04438	0.7
103.03968	0.3
105.01875	1.1
105.03406	0.4
105.07040	0.5
105.08437	0.2
107.04975	0.9
107.08612	0.4
109.02896	1.8
109.06523	6.5
109.10139	0.3
109.99770	0.2
111.08102	0.4
115.05388	0.2
117.01859	0.3
117.63095	0.2
119.04935	0.6
119.08591	0.3
121.06499	0.6
121.10135	0.3
123.04436	24.9
125.06043	0.3
125.09644	0.2
127.03915	3.5
129.01869	0.4
129.07013	0.2
131.04980	0.3
131.08519	0.2
133.06497	0.7
135.04454	1.2
135.11649	0.2
137.05984	100.0
138.06345	0.2
145.04974	1.4
145.06430	0.2
147.03127	0.3
147.04416	4.6
148.05225	0.3
149.01291	0.2
149.02315	1.1
149.05948	1.1
159.02956	1.1
159.04100	0.2
160.05280	0.2
161.05991	11.4
162.06792	0.5
163.03947	1.4
163.07503	0.2
165.05478	1.1
165.06734	0.2
167.05638	0.2
171.04376	0.2
175.07492	0.2
177.05499	1.4
179.07118	0.4
183.13858	0.2
185.06012	0.2
189.03963	0.4
189.05492	0.6
193.04929	0.9
203.07088	0.3
211.07613	0.2
213.05476	0.4
231.04691	0.3
231.06604	0.6
235.13306	0.4
237.07640	0.6
239.07246	0.2
243.10280	1.1
253.21800	0.2
265.07010	0.2
267.10248	0.3
267.15881	0.3
269.08115	0.8
270.08936	0.2
271.09656	35.5
283.09708	0.7
295.09677	1.5
299.06335	0.3
309.06253	0.2
313.10605	1.8
313.13849	0.2
321.23792	0.2
335.07632	0.3
337.10736	1.4
359.07587	0.3
361.10739	0.5
379.11731	1.5
427.24725	0.2
436.63867	0.2
501.28323	0.3
519.29260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48915	3.7
55.01888	9.9
55.05522	4.8
67.05509	11.2
69.03434	12.1
69.07072	44.3
70.06600	6.4
71.04977	7.3
73.02947	4.7
79.05508	23.6
79.40904	4.5
81.07076	25.5
83.05014	21.5
85.02922	10.4
85.06557	6.1
91.05461	22.7
93.07062	30.2
95.01360	8.5
95.04985	17.4
95.08629	5.2
97.06541	80.4
98.20710	7.3
99.04458	27.6
105.07047	47.7
107.04964	9.4
107.08610	18.5
108.60560	3.6
109.06525	31.0
115.07586	4.1
116.14388	4.0
117.07043	10.2
119.04986	4.7
119.08604	10.0
121.06509	43.3
121.10167	9.1
125.06014	72.7
127.07535	5.8
128.06285	4.7
129.07018	6.5
130.07811	9.5
131.08589	16.7
133.06517	12.7
133.10126	12.2
135.11722	4.2
137.06003	29.5
141.01852	12.1
141.07126	5.4
143.07050	47.6
143.08577	9.8
145.06493	16.2
145.10133	92.9
155.08536	7.0
158.07271	12.8
159.08147	12.0
159.11700	38.4
161.05966	5.0
163.07593	6.5
163.11189	49.3
169.10132	10.6
172.08923	5.0
173.09636	100.0
177.12743	5.4
187.07617	5.6
187.11200	81.5
187.96431	4.4
189.12729	7.1
191.10687	29.8
196.13437	5.6
197.09680	9.5
197.13751	6.1
198.85448	4.6
205.12265	55.2
209.11794	11.2
215.10690	66.5
233.11769	70.5
251.12828	32.4
307.15573	5.6
325.16516	17.6
343.17468	25.2
463.16306	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	518.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.5
58.06630	0.4
60.08166	5.8
63.98076	0.1
67.05520	0.6
69.07058	0.2
70.70263	0.3
71.07376	3.0
79.05494	0.4
81.07059	0.5
85.06539	0.1
86.09709	30.2
91.05442	0.2
93.07043	0.3
95.08614	0.4
98.98470	2.9
100.94886	0.1
104.10750	2.8
104.11429	0.2
105.07047	0.1
109.10219	0.1
125.00010	21.2
133.10062	0.2
152.09560	0.1
166.06248	0.1
168.38466	0.1
184.07347	100.0
185.07628	0.2
258.11072	0.2
305.36353	0.1
335.25772	0.2
345.89056	0.1
500.31357	1.1
518.32471	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	518.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.0
56.05042	1.5
57.03436	0.2
58.06581	1.5
60.08167	15.8
63.51061	0.2
67.05513	2.5
69.07066	0.7
69.61820	1.4
71.07378	6.4
79.05494	1.9
81.07049	2.3
83.08639	0.3
86.09709	50.8
91.05471	1.1
93.07033	2.0
95.04973	0.2
95.08606	1.6
98.98469	3.5
104.10748	100.0
105.07020	0.7
107.08585	0.8
109.10139	0.5
119.08585	0.5
121.10168	0.8
125.00009	27.2
131.08540	0.4
133.36630	0.2
135.11679	0.2
163.01500	0.6
179.80115	0.2
181.02592	0.3
184.07346	95.4
258.11023	0.8
273.79987	0.3
335.25879	0.5
341.21494	0.2
441.24170	0.2
500.31396	9.2
518.32452	35.1
519.32947	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.05514	71.0
57.07073	3.4
61.82630	1.7
64.77770	1.6
67.05513	18.5
69.07079	24.4
69.61285	8.1
69.61688	3.8
71.04974	3.0
78.52485	1.8
79.05499	11.3
81.07064	30.7
81.54481	1.4
83.08624	80.0
83.09125	3.8
85.06531	4.5
85.10139	2.6
91.05482	16.1
93.07043	15.1
95.04953	3.3
95.08607	18.1
97.06508	4.0
97.10184	13.9
98.20856	3.6
105.07053	8.9
107.05026	1.7
107.08598	10.0
109.10188	12.0
111.08098	2.0
111.11703	7.8
118.87009	1.7
119.04941	24.8
119.08595	8.1
121.10155	11.1
123.11687	6.8
125.13287	3.6
131.08525	2.3
133.10120	10.8
135.11693	9.9
137.09669	2.2
137.13232	3.5
139.11171	4.2
145.10114	4.4
147.04420	100.0
147.11676	7.4
149.09566	1.9
149.13269	2.6
151.11166	2.8
151.14818	3.1
153.12743	5.6
159.11717	2.0
161.13245	7.9
165.05511	8.6
165.12773	3.3
175.14905	2.5
179.14278	3.8
193.19489	2.3
212.92421	1.8
217.19542	19.2
235.20593	27.3
236.20432	1.8
253.21628	27.2
271.22705	7.3
276.86667	1.9
318.62805	1.9
353.30484	3.3
405.29810	4.1
490.78925	1.7
517.38507	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	518.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01865	4.9
55.05515	3.6
56.05040	2.5
57.03440	6.5
58.99583	3.9
60.91387	0.6
67.05505	7.5
69.03420	1.1
69.07066	5.5
69.42530	4.5
70.02945	1.0
70.06570	0.8
71.04968	1.0
71.08629	0.9
72.04485	1.1
73.01113	0.6
73.02895	1.7
74.00652	1.1
76.02222	4.9
79.05495	6.1
81.03407	1.0
81.07056	29.3
81.77972	0.5
83.04975	1.9
83.06086	1.8
83.08603	1.7
84.04504	8.6
85.01109	1.1
85.02900	1.3
85.06532	0.9
86.00607	0.6
86.99048	1.9
87.02686	2.1
88.02216	1.5
90.05553	5.8
91.05476	2.2
93.07055	3.7
94.21753	0.6
95.04954	1.5
95.08607	13.8
96.08073	0.5
96.93935	0.5
97.01093	0.8
97.06529	2.5
98.06026	0.6
98.09690	5.1
99.05588	1.1
99.08095	11.3
104.01694	6.7
105.07030	3.9
106.06410	0.5
107.05013	1.4
107.08582	2.9
108.05280	0.7
109.06508	1.6
109.10137	5.3
111.08082	1.7
113.04234	2.5
116.01686	12.7
116.07083	0.8
117.07038	0.5
118.04156	2.7
119.04494	1.8
119.08594	3.0
121.10139	2.3
123.08070	1.4
125.09622	1.6
126.05518	3.7
127.03982	0.6
127.05791	0.6
127.07484	0.9
129.06573	3.7
130.04997	2.4
130.06853	0.8
131.08598	0.7
133.06500	0.9
133.10141	1.8
135.11702	0.9
137.02327	2.1
137.06003	0.7
137.09627	1.2
137.13249	0.6
139.05748	1.2
141.06555	1.2
142.03212	1.8
144.06555	1.8
146.02684	0.7
151.14819	3.2
154.02580	1.5
156.08453	5.5
157.06805	1.2
157.10139	0.7
158.02715	39.3
159.07697	2.2
159.11688	0.6
161.13235	3.2
167.05301	1.0
170.11769	3.9
174.09477	1.6
175.05383	1.4
176.03778	21.7
179.14304	7.0
181.06439	0.7
187.05336	0.6
191.04712	0.9
193.06421	11.5
193.08017	1.2
197.05934	1.3
197.15352	8.7
198.06561	1.7
210.11203	1.1
210.74919	0.5
213.09109	3.0
214.09415	4.0
215.04793	1.1
217.64134	0.6
226.06104	2.5
227.06602	3.2
230.08560	0.9
233.05957	1.5
237.05479	2.6
238.05769	4.7
253.05058	2.0
254.05510	6.6
254.15714	0.6
255.06131	4.9
255.11699	0.8
255.14163	7.1
258.14774	0.6
269.08087	60.6
270.08423	100.0
271.08771	0.9
272.16867	1.0
273.12671	45.8
274.11023	1.1
291.13754	0.8
313.12201	0.9
331.13245	5.5
353.18765	3.4
371.20001	8.8
372.18454	7.8
389.21030	14.2
402.16782	0.8
411.19476	0.8
420.17880	2.3
429.20511	4.1
462.52228	0.6
482.23474	0.7
500.24100	2.6
518.14130	0.8
518.25189	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	515.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
53.69724	0.7
55.01862	0.9
55.05272	1.0
55.05516	13.6
57.03453	3.7
57.03727	0.7
57.07065	2.0
63.57027	0.8
64.30812	0.7
65.03945	1.9
67.05510	35.5
67.26572	1.0
69.03436	1.6
69.07069	10.2
69.81718	1.7
69.82128	2.8
71.01369	1.1
71.04997	2.2
74.21889	0.9
77.03927	1.3
79.05499	33.2
81.03419	2.5
81.07061	27.4
83.04984	4.7
83.08645	5.9
85.06541	1.5
91.05489	20.2
93.07049	37.9
95.04974	4.0
95.08613	17.9
97.06532	4.7
97.10166	3.6
104.37866	0.9
105.07035	13.9
105.07686	1.2
107.08601	21.5
107.09306	1.4
107.69257	0.7
109.10165	8.7
111.08099	1.3
111.71780	0.7
114.05841	0.8
117.07034	7.4
119.08581	12.4
121.06488	1.1
121.10159	11.4
123.08052	0.8
123.11728	1.6
125.09705	1.5
128.06230	1.4
129.07036	3.7
131.08569	8.9
133.10115	6.8
135.11700	25.4
135.73871	0.7
141.06940	1.3
142.07802	0.9
143.08643	3.8
145.10143	9.7
147.11737	6.2
149.13261	2.3
150.45891	0.8
155.08556	1.9
157.10110	3.9
159.11736	5.8
161.13280	2.7
163.11212	3.2
163.14780	0.8
167.08710	0.8
169.10098	2.0
171.11743	3.0
173.13307	4.8
175.14931	1.2
181.10840	0.9
181.12228	4.9
183.11781	2.3
185.13287	2.1
187.14861	2.2
197.13242	1.9
199.14908	1.2
201.16414	1.4
209.13322	1.1
211.14877	1.1
213.16525	1.0
220.15616	0.9
261.22266	3.2
303.20990	0.8
314.89703	0.8
317.24783	1.1
330.91409	0.8
392.85217	0.9
405.31552	1.7
423.32721	5.5
441.33588	2.2
472.48166	0.8
497.36292	3.5
515.37354	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1346
Annotation	Formononetin 7-O-glucoside-6''-O-malonate
Peak:m/z	Relative Intensity
50.22556	0.1
55.05508	0.1
63.04053	0.1
66.66126	0.1
67.05493	0.1
68.99790	0.1
69.03439	0.1
70.69718	0.2
79.05486	0.1
81.07051	0.2
83.04963	0.1
85.02889	0.1
85.06572	0.1
91.05455	0.1
95.04970	0.1
95.08621	0.2
103.05443	0.1
105.07026	0.2
107.04955	1.4
108.02119	0.1
109.10120	0.1
116.31052	0.1
118.04169	2.4
121.06513	0.1
123.04424	0.1
127.03926	0.2
133.02863	0.2
133.06512	0.3
135.04356	0.1
136.01587	0.7
137.02354	0.9
139.03984	0.1
147.04433	0.1
153.07031	0.1
154.02632	0.8
156.05701	0.2
158.07373	0.1
161.69316	0.1
163.03912	0.4
167.59721	0.1
169.06430	0.1
170.07288	0.2
171.08069	0.1
181.06488	0.5
182.07253	0.3
184.05228	0.2
185.09680	0.1
195.08022	0.2
197.05960	1.1
198.06790	0.7
199.07567	0.1
200.04578	0.1
209.05923	0.2
213.09119	5.0
225.05507	0.6
226.06255	2.6
237.05481	4.2
237.07922	0.2
239.07024	0.1
241.08582	0.2
250.98793	0.1
253.04994	3.4
254.05750	5.8
269.08084	100.0
270.08472	0.9
340.07745	0.1
412.19888	0.1
453.90796	0.1
463.25858	0.1
517.13391	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.5
55.01861	2.3
55.05515	15.5
57.03423	4.2
57.07080	1.9
59.14592	1.2
61.28476	1.4
65.03909	2.0
67.05508	41.0
69.07071	10.9
71.53309	1.5
75.18187	1.1
77.03972	2.0
79.05495	35.1
81.03420	1.6
81.07066	32.5
83.04993	5.8
83.08611	5.2
85.06548	2.1
91.05482	22.9
93.07045	41.5
93.77852	1.1
95.04942	4.3
95.08616	17.9
97.06541	5.7
97.10165	4.4
99.08109	1.3
103.05499	1.3
105.04553	1.8
105.07040	10.8
105.22214	1.3
107.08599	20.5
109.10159	9.7
117.06323	1.1
117.07001	6.7
119.08605	11.1
121.06541	1.6
121.10135	11.2
123.11694	1.2
129.07001	3.5
129.45323	1.4
131.08569	8.1
133.10143	7.7
135.11699	26.3
143.08583	5.5
145.10135	12.1
147.11699	3.0
149.13275	2.5
155.08533	1.7
157.10149	4.0
158.91595	1.2
159.11722	6.4
163.11215	3.1
169.10112	2.9
171.11728	2.9
173.13268	4.7
181.12228	3.3
183.11739	3.2
185.13287	2.9
187.14853	2.4
197.13309	1.6
199.13243	1.5
199.14870	2.9
211.14809	1.7
225.16408	1.5
261.22049	2.6
275.02237	1.4
311.23746	1.5
405.31726	1.9
423.32657	6.9
441.33432	2.1
472.71442	1.1
497.36102	3.4
515.37354	100.0
516.37689	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	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08789	1.7
53.03944	3.3
55.01869	3.9
55.05515	21.6
57.03425	5.8
57.07083	3.4
61.02916	2.1
65.03941	2.0
67.05508	88.1
69.03426	7.6
69.07066	22.5
70.85574	3.4
70.85891	1.9
71.04984	3.2
73.02898	2.5
79.05495	63.9
81.03412	8.2
81.07062	100.0
83.04990	3.1
83.08607	12.3
85.02911	6.0
85.06559	3.2
91.05485	35.2
93.07050	76.9
95.04975	6.3
95.08610	73.3
97.02876	5.5
97.06514	5.8
97.10165	6.0
99.08089	3.9
105.04440	2.0
105.07039	33.2
106.63287	2.0
107.04962	2.2
107.08603	45.6
109.06509	5.4
109.10158	38.5
111.08083	4.1
117.07021	20.4
119.08584	26.4
121.06533	2.3
121.10145	43.1
123.08046	3.6
123.11724	21.9
127.03962	2.0
129.07014	5.5
131.08572	30.7
133.06447	1.8
133.10159	23.3
135.08026	2.9
135.11707	33.9
137.09608	4.7
137.13252	8.4
139.11214	3.4
141.07051	2.2
143.08566	4.5
145.10109	24.8
147.11697	18.8
149.09610	2.8
149.13245	25.3
151.11205	2.2
151.14818	4.0
155.08542	3.0
157.10109	6.7
159.11723	19.0
161.13272	18.7
163.14819	17.4
165.12782	4.4
171.11703	5.5
173.13284	24.7
175.11147	2.3
175.14822	5.0
177.12762	4.1
177.16420	6.7
183.11678	3.6
185.13205	4.0
187.14842	11.5
191.14342	4.1
195.61940	1.9
201.16469	4.8
233.22719	4.8
243.21094	33.1
261.22153	97.1
279.23218	3.7
301.32297	2.2
303.23175	3.8
335.25793	16.4
337.13950	2.2
341.24631	2.8
353.26910	23.3
369.24124	5.1
377.26428	2.0
405.26321	4.2
419.27985	4.4
443.27890	3.5
461.28857	4.5
479.30042	4.0
497.30917	5.9
515.37665	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	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.2
53.29432	3.7
55.01870	4.4
55.05517	23.3
57.03431	9.4
57.55209	4.5
62.67428	3.2
65.79559	3.4
67.05515	84.1
69.03416	11.3
69.07069	22.4
71.04998	6.5
79.05499	54.4
81.03404	15.6
81.07066	100.0
83.04980	8.6
83.08613	13.0
85.02929	8.6
85.06535	5.5
91.05484	35.9
93.07053	70.8
93.69858	3.9
94.78912	6.1
95.04987	10.2
95.08618	63.1
97.02909	9.3
97.06541	6.6
97.10153	4.2
99.08099	5.2
105.07030	37.7
107.04941	5.0
107.08597	49.0
109.06512	10.7
109.10174	37.3
111.04472	4.9
111.08102	3.8
113.09672	4.3
114.31992	3.6
117.07053	21.8
119.08606	24.4
121.06535	5.8
121.10160	35.7
123.08144	4.8
123.11711	15.1
129.07013	10.5
131.08574	33.5
133.10159	20.7
135.07986	5.0
135.11742	27.7
143.08574	12.0
145.10124	25.6
147.11717	17.7
149.13286	19.0
155.08612	4.8
157.10184	4.2
159.11710	23.0
161.09639	4.4
161.13258	18.7
163.14825	14.7
171.11662	6.2
173.09698	5.4
173.13304	25.1
175.14856	6.4
177.12762	3.6
177.16360	6.9
185.13223	5.4
187.14798	11.5
191.14360	5.2
199.14926	4.7
243.21193	20.6
261.22162	65.4
291.23120	4.4
301.21536	7.1
303.23178	5.8
335.25836	10.4
345.24203	10.1
353.26965	24.6
369.24194	14.8
387.25278	8.3
405.26163	7.5
419.27661	6.6
422.71854	4.1
443.28040	5.6
449.29233	5.4
461.28659	8.2
479.29929	8.7
497.31046	15.5
515.37085	7.3
515.71259	3.8
526.09479	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	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88412	1.6
53.03942	5.7
55.01874	1.9
55.05513	20.2
57.03437	8.4
57.07068	5.4
61.02913	5.4
65.03937	2.4
67.05511	93.4
68.14368	1.6
69.03419	5.0
69.07068	17.4
69.54208	1.7
70.72549	1.4
70.91496	1.4
71.04996	3.7
73.02921	2.1
79.05501	56.9
81.03413	6.3
81.07063	100.0
83.04980	4.5
83.08632	10.8
85.02909	6.5
85.06543	3.8
91.03958	3.0
91.05489	30.8
93.07053	66.5
95.04973	4.4
95.08617	79.0
97.02895	5.9
97.06519	5.6
97.10175	5.1
98.21556	2.7
99.04504	2.0
99.08091	3.9
103.03984	1.9
105.04509	2.6
105.06390	2.8
105.07039	27.3
107.04998	2.0
107.07874	2.4
107.08596	42.7
109.06509	4.1
109.10171	36.7
109.97289	1.6
111.08089	4.7
111.11646	2.0
117.07036	12.8
119.08590	27.9
121.06511	2.7
121.09321	3.0
121.10156	40.0
123.08047	2.8
123.11711	21.6
129.06998	3.2
131.08588	26.0
133.10144	15.6
135.08061	2.3
135.11705	30.4
137.13255	7.4
139.11140	2.6
143.08560	3.9
145.04906	1.8
145.10149	21.4
147.11696	14.6
149.09622	1.9
149.13283	22.3
151.11224	3.3
151.14842	2.9
155.08521	3.2
157.10133	3.8
159.11711	17.3
161.13254	13.4
163.11241	3.1
163.14827	14.4
165.12808	3.0
173.13286	18.1
175.14845	6.1
177.16371	5.0
179.14296	3.1
183.11882	2.6
185.13239	2.1
187.14885	8.4
191.14307	2.6
201.16357	3.1
205.15787	2.3
215.18092	2.0
233.22650	3.0
241.81903	1.7
243.21114	29.6
261.22156	87.5
279.23151	7.2
303.23117	3.3
335.25818	30.9
345.24420	3.4
353.26895	20.5
369.24146	3.2
387.24979	2.1
405.26355	2.1
419.27878	4.2
443.28009	2.9
461.28708	2.3
479.29727	2.4
497.31589	9.8
515.37268	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	514.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.2
55.01881	3.9
55.05511	21.8
57.03449	22.0
57.07073	7.0
64.92616	3.4
66.05245	3.3
67.05173	5.0
67.05511	67.4
68.05816	6.3
69.03444	4.6
69.07079	21.7
71.04998	5.8
71.53778	6.6
79.05077	6.0
79.05497	66.8
81.03423	58.3
81.07064	86.6
83.04969	22.7
83.08617	32.9
85.02908	24.2
89.06029	10.7
91.05489	47.5
91.17841	3.9
93.07046	56.5
95.04976	24.3
95.08622	26.3
97.02891	4.4
97.06532	12.8
97.10162	6.1
99.08035	3.4
105.07047	24.7
107.04960	6.9
107.08599	34.0
109.06501	7.2
109.10162	11.0
111.08075	13.9
117.07050	4.6
119.08575	21.5
121.10133	22.8
125.09634	4.2
129.07018	11.7
131.08568	19.4
133.08620	6.9
133.10150	18.7
135.11702	10.4
142.07695	4.8
145.10225	5.0
147.11667	18.2
148.69119	3.8
149.09631	7.4
149.13271	24.8
149.80550	3.8
157.10104	11.8
159.11662	8.9
175.11169	11.5
177.12688	7.2
178.96973	3.7
186.09897	3.4
193.12265	46.5
195.13835	11.3
202.15921	4.2
203.14226	4.6
211.13298	65.4
238.47977	4.2
267.15955	25.0
269.17496	83.5
285.16962	57.7
335.27872	16.5
341.10251	5.4
358.16415	8.4
385.94693	3.5
401.46240	3.7
424.27563	4.7
461.29099	53.1
479.23587	6.5
479.30115	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	10.3
57.03430	4.2
61.71235	3.9
67.05514	12.4
67.61770	4.0
69.07056	8.8
71.04964	4.3
71.54473	4.0
72.35966	3.4
79.05497	24.6
81.03404	7.1
81.07050	16.6
83.04962	5.5
85.02900	6.1
91.05462	11.0
93.07043	12.4
95.04951	5.7
95.08586	9.1
100.63498	3.4
103.05472	4.3
105.07046	10.1
107.04968	19.7
107.08582	9.1
109.02869	4.7
109.06523	7.0
109.10166	9.9
111.08140	3.6
119.08601	6.7
121.06533	8.5
121.10161	8.7
123.04444	9.1
127.03889	5.4
131.08580	6.9
133.06525	6.4
133.10085	7.2
135.08031	6.8
137.05989	100.0
145.10202	3.4
147.11679	7.0
149.06009	9.6
149.09589	8.8
157.10052	4.1
160.05194	4.8
161.06006	15.0
163.07538	15.4
167.07097	32.1
175.11198	5.9
185.05980	7.4
191.14392	17.1
193.12288	15.1
196.59047	3.6
199.13318	7.6
209.15460	7.2
211.13269	39.0
231.06477	11.8
243.98114	3.6
249.18396	6.8
285.11218	25.6
287.16516	7.8
317.99808	3.8
333.17108	5.5
335.07901	4.1
341.17383	4.1
393.13278	8.2
405.56134	4.2
411.14459	8.5
465.22681	18.0
465.36539	3.5
515.28186	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	515.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.4
55.05512	22.0
57.03434	8.7
61.02931	6.1
65.03926	3.5
67.05509	79.4
69.03428	8.4
69.07065	15.3
70.09000	13.5
71.01362	4.0
71.04980	4.9
79.05486	45.2
81.03418	11.0
81.07060	100.0
83.04956	8.7
83.08625	10.4
85.02905	11.4
85.06543	4.4
91.05497	41.1
93.07047	60.3
95.04964	8.5
95.08616	70.5
96.86498	3.6
97.02910	6.3
97.06540	7.8
97.10185	8.4
99.08062	5.1
105.07040	27.4
107.08592	39.4
109.06523	9.0
109.10160	36.8
111.08112	4.8
117.07013	15.1
119.08594	25.2
121.10149	38.1
123.08053	3.8
123.11718	13.7
127.03999	3.4
129.07007	8.4
131.08560	23.8
133.10101	18.1
135.08102	3.7
135.11716	25.2
137.13260	6.3
145.10138	22.5
147.11684	17.4
149.13287	15.7
151.11226	4.1
151.14758	4.6
157.10068	5.1
159.11687	18.0
161.13246	13.3
163.14836	9.2
165.12825	4.5
169.10144	3.3
173.13237	15.5
173.97530	3.3
175.14757	3.4
177.12726	4.8
177.16438	4.8
187.14798	6.9
199.14798	3.0
205.81894	3.2
217.19553	3.7
243.21138	18.5
261.22134	66.7
270.17825	3.9
279.23145	4.8
303.23264	5.5
308.46631	4.0
335.25906	20.3
345.24091	5.2
353.26797	23.1
369.24323	7.7
387.25403	5.6
405.26471	5.5
419.27841	9.1
441.26709	3.5
461.28836	11.0
479.29996	6.2
480.29834	6.7
497.30899	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	514.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.7
55.01861	3.9
55.05504	15.6
57.03435	18.7
64.74156	3.1
67.05509	61.1
69.03432	8.8
69.07056	16.1
69.68098	9.9
69.68514	8.0
71.04990	8.2
73.02926	4.0
79.05499	38.3
81.03423	42.3
81.07067	73.7
83.04974	10.5
83.08620	26.6
85.02924	17.8
85.06540	8.6
91.05485	37.4
93.07062	57.2
95.04987	19.1
95.08640	22.5
97.02908	4.3
97.06516	12.7
97.10156	5.0
98.20753	6.3
99.08114	4.5
105.07034	20.3
107.04937	4.3
107.08592	25.5
109.06531	6.7
109.10152	9.8
111.08087	9.8
117.07004	8.6
119.08580	18.0
121.10139	21.7
129.06995	9.7
131.08568	14.2
133.10138	19.2
135.11678	8.0
141.42746	3.9
142.07652	4.9
146.49580	3.9
147.11694	10.6
149.09619	6.4
149.13278	23.7
156.11049	3.8
157.10156	11.4
159.11656	10.3
161.27077	3.7
175.11139	9.0
193.12299	30.3
195.13799	8.4
200.20160	4.4
211.13347	44.4
229.54543	3.7
267.15909	20.2
269.17480	100.0
285.16971	40.1
303.51468	4.3
450.94516	3.7
461.29034	34.4
479.30103	92.5
514.28424	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	514.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01880	1.7
55.05503	3.2
57.03433	2.8
61.02916	2.0
62.93008	1.2
65.55176	1.2
67.05505	8.3
69.03432	2.6
69.07064	1.5
69.79082	2.4
69.79488	6.5
70.55267	1.2
71.05000	1.3
79.05494	9.4
79.64087	1.1
81.03422	79.2
81.07059	8.8
83.04964	4.1
83.08627	20.2
85.02883	3.5
91.05486	9.1
93.07044	4.2
95.04977	26.4
95.08597	3.0
97.02882	4.9
97.10181	1.5
103.03921	1.6
105.07048	7.8
107.04944	5.4
107.08603	3.4
109.06520	2.0
109.10154	2.7
111.04432	2.0
111.08103	9.4
119.04937	1.9
119.08591	6.8
120.08160	2.1
121.06515	1.8
121.10153	3.3
123.04385	3.7
123.08063	1.6
127.03930	1.6
129.06999	5.6
130.81842	1.2
131.08604	8.9
133.06479	4.4
133.10136	2.6
137.05986	6.2
137.09631	2.1
138.06326	2.5
142.07703	2.6
145.10117	2.1
147.08051	3.3
147.11734	6.7
149.09592	4.6
157.10150	10.7
163.11163	1.6
165.12749	2.3
175.11211	14.3
193.12256	64.7
211.13341	6.4
224.10945	1.2
235.13237	4.1
257.68936	1.5
259.13318	1.9
267.15927	32.6
273.14716	1.8
285.16977	100.0
299.18558	3.1
301.14334	5.1
309.16818	8.3
319.15329	5.2
337.16370	6.0
351.17883	2.5
355.17679	2.2
363.17828	3.3
373.13812	4.6
430.03284	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.05508	4.6
57.03426	4.5
59.23484	1.6
61.02917	2.8
67.05510	8.1
69.03431	1.5
69.07053	2.6
70.97699	2.8
79.05489	8.8
81.03419	95.2
81.07061	6.2
83.04986	3.8
83.08617	23.6
91.05476	9.9
93.07063	6.7
95.04979	28.3
95.08612	2.7
97.02922	2.9
97.06514	1.5
97.10181	1.9
99.98654	1.5
105.07034	9.3
107.04945	5.1
107.08582	3.6
109.06510	2.7
111.04446	1.9
111.08086	9.8
115.05405	2.2
119.08574	8.8
121.06490	2.4
121.10144	3.9
123.04427	2.9
123.08105	2.1
129.07002	9.9
131.08594	7.2
133.06493	3.2
133.10152	4.7
141.43880	1.4
142.07808	1.7
146.66078	1.6
147.08058	2.1
147.11696	8.7
149.09657	5.5
157.10167	10.3
165.12790	1.5
175.11185	9.5
189.12640	1.7
193.12250	72.2
200.59836	1.5
211.13359	5.2
235.13359	2.7
267.15909	53.5
285.16968	100.0
309.16980	9.8
363.17877	4.1
375.18103	2.3
393.19296	2.2
411.20056	2.0
429.21054	7.0
463.28519	1.8
537.34827	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	513.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49609	0.9
53.03938	2.1
55.01862	0.9
55.05511	9.9
55.90717	0.8
57.07069	4.3
61.02924	1.3
65.03942	1.0
67.05177	1.4
67.05508	19.3
69.07073	8.2
70.06589	1.9
71.04987	2.1
71.08636	1.8
71.53730	1.4
73.02920	1.0
73.06571	1.0
79.05499	15.0
81.03437	2.1
81.07065	19.8
83.04987	1.7
83.08629	6.5
85.02903	1.2
87.82348	0.9
88.07623	1.4
89.06045	1.5
91.05483	14.6
93.07043	17.5
95.04972	1.6
95.08614	13.7
97.06566	1.2
97.10172	2.5
98.97560	1.2
105.07033	16.2
107.08591	7.4
108.11964	0.9
109.10186	5.0
115.05466	1.4
117.07022	8.4
117.79700	0.9
119.08585	15.8
120.16401	1.1
121.10123	4.9
123.08089	1.3
123.11761	1.1
128.06232	1.9
129.07014	9.8
130.07764	1.1
131.08568	13.1
133.08615	2.0
133.10129	9.5
135.08046	1.5
135.11699	5.0
141.07005	3.1
142.07805	2.1
143.08572	12.3
145.10133	13.7
147.11688	5.4
149.13254	1.1
155.08577	8.3
156.09357	1.7
157.10130	11.2
159.11690	10.5
161.13251	2.6
161.60564	1.0
167.08623	2.2
169.10143	8.5
171.11725	9.9
173.13278	4.8
179.08594	1.2
181.10167	3.9
183.11708	8.7
185.13286	6.3
187.14821	2.8
189.06900	1.1
192.51207	0.9
193.10153	1.6
195.11757	3.2
197.13272	7.7
199.11227	1.0
199.14919	3.3
207.11809	1.4
209.13268	2.9
211.14867	3.9
213.16376	2.2
221.13339	2.0
223.14877	2.1
225.16478	1.6
235.14912	1.4
237.16406	1.2
245.40002	0.9
247.17050	1.1
249.16455	1.1
251.18025	1.6
256.26352	3.1
257.26718	1.6
259.20648	2.2
261.18649	1.4
275.20114	1.4
279.21075	1.0
283.26392	2.0
284.26727	3.1
285.72485	0.9
298.24878	1.1
315.23065	1.4
316.11768	1.5
335.23651	1.4
341.24658	1.4
365.65732	1.4
398.00113	1.0
403.30002	4.4
421.31027	11.9
439.32211	5.0
457.33173	2.1
477.33633	1.1
495.34552	10.1
512.84595	1.1
513.35797	100.0
513.50598	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	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01883	1.5
55.05312	0.7
55.05521	8.4
56.44411	0.6
57.03436	5.4
57.07067	2.1
59.04987	0.7
61.02644	0.9
61.02930	12.6
65.03934	2.0
67.05508	20.5
69.03449	3.4
69.07074	8.0
69.80679	0.7
69.94027	3.0
71.01323	1.5
71.04991	2.0
71.08620	0.6
73.02924	4.9
75.04487	1.0
79.05499	27.3
81.03423	4.4
81.07065	25.7
83.04975	2.4
83.08638	4.7
85.02915	9.9
85.06540	2.1
90.33225	0.6
91.03960	5.7
91.04898	1.2
91.05483	23.7
93.07051	41.3
95.04958	2.9
95.08611	19.7
95.09062	0.3
97.02901	6.8
97.06535	2.1
97.10170	1.6
99.04485	1.2
99.08086	1.6
101.02396	0.8
105.04517	0.6
105.07039	25.2
107.04959	1.3
107.08605	25.4
107.33334	0.6
107.83279	0.6
109.02840	1.4
109.06532	2.5
109.10178	7.7
111.04472	0.6
111.08031	1.2
113.09653	0.6
115.03934	0.8
115.05480	1.2
117.07026	7.7
119.08588	25.7
119.29845	0.6
121.06492	1.5
121.10152	20.6
123.04450	1.3
123.08087	1.7
123.11711	2.1
125.09607	1.2
127.03909	1.9
128.06265	0.8
129.05513	1.1
129.07001	5.5
131.08578	13.6
133.10138	22.0
135.08066	1.7
135.11702	18.8
137.05998	1.1
137.09615	1.6
141.06998	1.2
142.07782	0.9
143.08551	6.1
145.04973	1.2
145.10136	14.6
147.11697	23.4
149.09604	2.0
149.13264	13.7
151.11179	1.2
155.08534	1.2
157.10120	6.7
159.11697	11.0
161.09669	1.6
161.13266	18.6
163.11240	1.5
163.14871	4.7
165.12791	0.9
169.10217	1.8
171.08124	1.0
171.11713	8.6
173.13289	6.8
175.11247	1.6
175.14856	10.7
177.12782	1.9
183.11671	1.7
185.13251	7.3
187.14867	2.9
189.12778	2.4
189.16380	1.4
191.14471	0.8
197.13316	1.3
199.14891	3.6
203.14307	1.4
211.14822	0.7
213.16418	2.9
215.17969	1.5
217.15814	0.8
217.19577	2.2
221.15541	0.7
231.17398	1.6
231.21106	3.0
235.16977	0.7
241.19528	19.0
257.19046	0.9
259.20587	46.1
261.22284	0.7
271.20618	1.4
273.22015	0.8
275.20291	0.8
277.21646	5.9
284.05161	0.7
289.21484	0.9
301.21646	1.7
309.20172	0.7
321.22095	0.9
333.24265	7.5
339.23117	0.9
349.24313	3.5
351.25323	100.0
352.16022	0.6
363.25165	2.8
367.22702	2.5
375.25293	2.8
385.23996	2.1
387.25281	1.5
403.24771	1.7
417.26224	2.1
421.26630	0.6
429.26462	1.5
441.26471	6.2
459.27460	4.3
477.28290	2.8
495.29495	5.5
513.30493	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	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	4.1
55.01879	3.5
55.05513	10.5
57.03436	6.0
57.07063	4.0
58.49664	2.3
61.02930	16.1
67.05507	30.4
69.03429	7.4
69.07069	11.7
69.90744	5.2
69.91136	6.6
71.04986	7.1
73.02934	4.3
79.05505	32.0
81.03406	9.4
81.07063	36.2
83.04982	3.1
83.08620	4.8
85.02919	18.3
85.03349	3.6
91.03952	7.3
91.05482	36.7
93.07048	43.6
95.04996	6.9
95.08603	25.8
97.02896	7.9
97.06527	4.6
99.08102	3.9
105.07027	38.4
107.08601	26.8
109.06491	3.2
109.10163	11.5
117.07039	12.2
119.08584	38.7
121.10157	22.8
123.04428	2.9
123.11684	3.7
125.09698	2.7
127.03919	4.3
128.06232	3.5
129.07013	7.9
131.08577	18.1
133.10136	29.6
135.11697	19.7
137.05963	3.3
143.08574	7.3
145.10133	22.8
147.08064	3.1
147.11693	26.1
149.09590	2.9
149.13278	9.1
155.08527	3.6
157.10136	7.1
158.71147	2.9
159.11743	15.8
161.13260	25.0
163.14857	4.9
169.10184	3.2
171.11705	8.9
173.09579	2.9
173.13255	14.1
175.14819	13.7
176.21864	2.5
177.12852	4.6
183.11751	3.8
185.13261	13.3
187.14836	4.8
199.14780	5.7
215.17953	2.5
217.19531	4.1
231.21138	4.4
241.19482	25.8
259.20596	54.6
325.21667	3.2
333.23929	3.0
349.23831	3.5
351.25339	100.0
356.23215	2.5
358.52448	2.7
363.25269	2.9
367.22809	5.4
385.23825	3.5
441.26593	5.3
459.27444	3.0
477.28519	3.5
492.24622	3.6
492.74469	4.0
495.29654	8.0
499.22034	3.1
501.24258	2.8
513.30408	3.8
525.60370	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	513.3064
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03936	1.9
55.01864	1.5
55.05516	8.5
57.03427	4.5
57.07069	2.0
61.02932	11.6
67.05179	1.7
67.05510	21.6
68.91020	1.0
69.03413	2.9
69.07073	6.2
69.34995	6.7
71.04997	1.6
73.02911	5.4
74.44043	1.1
75.04463	2.5
79.05499	26.4
81.03421	2.4
81.07066	25.8
83.04968	1.2
83.08625	5.0
85.02916	9.8
85.06540	2.7
87.04457	1.2
87.42758	1.1
91.03955	5.2
91.05487	23.3
93.07051	37.0
95.04958	2.2
95.08616	17.7
97.02902	7.4
97.06514	2.4
97.10155	2.6
99.08091	1.4
105.07041	29.1
107.08606	24.7
109.06523	1.7
109.10159	6.0
111.08024	1.1
117.07014	5.3
119.08596	24.7
121.10144	17.9
123.11703	1.6
127.03937	1.7
129.07019	5.5
131.08598	13.1
133.10144	21.6
135.08118	2.2
135.11713	19.7
137.09520	1.8
143.08618	6.8
145.10144	11.4
147.08076	1.6
147.11714	21.0
149.09630	2.4
149.13286	13.6
155.08543	1.5
157.10181	5.8
159.11710	11.8
161.13260	16.3
163.11182	1.5
163.14851	2.9
169.10115	1.2
171.11719	7.9
173.13278	6.2
175.11163	2.5
175.14865	10.1
177.12875	1.4
181.10110	1.4
185.13318	6.8
187.14861	3.7
189.12726	1.2
197.13351	1.2
199.14841	4.7
213.16379	1.3
215.17950	2.3
217.15894	1.1
217.19508	2.2
231.17520	1.9
231.21107	4.7
241.19545	18.3
259.20609	44.4
273.21912	1.2
275.20078	1.8
277.21582	6.5
279.08917	1.4
301.21634	1.7
333.24341	7.6
349.23615	3.4
351.25333	100.0
367.22739	1.3
375.25308	2.9
385.23718	2.0
387.25049	1.5
403.24783	1.7
417.26178	1.8
429.25974	1.2
440.40091	1.1
441.26416	7.1
459.27261	4.6
477.28326	3.4
495.29749	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	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.7
55.01871	5.3
55.05518	13.3
57.03442	10.6
57.07067	2.7
58.18574	2.0
58.66058	2.3
61.02935	13.2
65.03934	2.3
67.05508	44.9
69.03416	6.8
69.07078	14.7
70.57922	4.4
71.04994	4.8
73.02916	7.4
79.05489	39.6
81.03416	8.0
81.07055	45.8
83.04996	3.8
83.08636	10.0
85.02901	16.6
85.06538	5.3
91.03942	6.7
91.05482	44.2
93.07047	42.4
95.04960	7.1
95.08612	22.8
97.02888	10.2
97.06540	2.6
99.08093	3.2
101.02367	2.6
105.07037	45.0
107.04975	4.3
107.08604	29.9
109.06555	3.1
109.10171	20.9
111.08099	5.0
111.51802	1.9
117.07026	11.6
119.08579	37.5
121.10157	24.7
123.11722	2.8
125.09605	5.4
125.43697	2.2
129.05502	6.0
129.06993	11.2
131.08563	19.3
133.10133	29.4
135.08119	2.7
135.11707	21.2
137.09598	2.9
143.08568	8.3
145.10123	19.1
147.11688	32.6
149.09514	2.5
149.13277	15.2
151.07608	2.1
155.08476	2.3
157.10181	10.8
159.11716	17.7
161.13271	22.5
163.14824	4.7
171.11737	10.5
173.11877	4.3
173.13266	6.3
175.14809	12.4
177.12685	3.3
183.11732	2.8
185.13235	10.7
187.14803	5.9
191.14479	3.2
195.13799	3.6
197.13351	3.0
199.14825	5.7
211.15056	2.2
213.16441	3.1
229.14377	9.2
231.21103	6.3
241.19579	22.8
257.19080	2.8
259.20618	59.7
269.17474	9.3
271.20544	3.6
277.21185	4.0
301.21637	3.3
333.24286	3.6
339.23499	2.4
349.23892	3.4
351.25317	100.0
363.25485	3.0
367.22607	7.1
375.25485	3.3
385.23633	3.7
403.24661	3.6
421.25858	4.5
423.27213	5.7
441.26456	5.1
459.27240	4.8
477.28644	4.1
495.29373	6.8
513.30200	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	511.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
53.22463	1.0
55.05515	14.1
57.03443	5.5
57.07079	6.1
67.05505	14.3
69.07074	21.6
71.08649	2.0
71.13808	1.3
72.85008	1.0
79.05502	5.8
81.07056	13.7
82.64706	1.0
83.08620	13.0
85.10158	1.0
91.05483	1.7
93.07050	7.7
95.08601	11.8
97.06564	2.2
97.10169	6.9
98.16907	1.1
98.98471	21.2
98.99119	1.3
105.07003	1.2
107.08602	4.6
109.10188	5.9
111.11747	2.4
121.10147	6.3
123.11713	1.4
131.08586	2.3
135.11714	3.8
149.13260	2.1
152.55251	1.1
155.01079	10.0
173.02148	3.6
247.05760	1.7
258.20023	1.1
265.25299	3.2
320.44659	1.3
339.28958	100.0
475.28290	6.9
511.27524	1.1
511.37854	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	513.3061
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
52.95889	1.9
53.03938	3.0
55.05513	9.8
57.03437	4.8
57.07069	1.8
61.02939	12.6
67.05515	21.9
69.03416	5.0
69.07064	7.0
71.04964	2.1
73.02908	4.2
73.66109	1.6
77.72697	1.6
79.05493	25.7
81.03429	3.5
81.07053	25.3
83.08602	3.4
85.02918	10.6
91.03956	3.0
91.05492	22.6
93.07049	36.6
95.04988	3.5
95.08617	18.5
97.02897	5.1
99.08088	2.7
105.07047	23.7
107.08606	21.0
109.10152	5.0
111.08080	2.3
117.07015	5.9
119.08582	23.5
121.10152	16.6
123.11743	2.2
129.06987	6.5
131.08557	11.5
133.10155	21.3
135.11717	17.2
143.08560	5.2
145.10089	12.4
147.11699	25.3
149.13226	11.9
157.10153	7.5
159.11700	14.0
161.09662	1.9
161.13272	17.8
163.14760	4.3
169.10112	2.0
171.10425	1.6
171.11635	8.7
173.13263	6.6
175.11128	2.0
175.14851	10.3
177.12723	2.8
181.10034	1.7
183.11728	2.0
185.13266	7.6
187.14839	2.4
189.12766	2.3
191.10905	1.7
199.14830	4.6
213.16531	1.9
217.19455	2.4
224.48222	1.6
231.17519	2.5
231.21147	4.0
241.19499	19.0
259.20593	46.2
277.21619	7.6
293.90488	2.3
333.24020	8.0
349.23611	5.2
351.25308	100.0
367.22363	2.5
429.25940	1.9
441.26270	5.8
459.27194	3.1
477.28513	3.9
495.29590	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	511.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.0
55.01870	9.4
55.05268	4.0
55.05512	34.9
57.03445	25.2
58.20542	2.8
61.02916	12.9
65.03940	5.4
65.23137	2.6
67.05509	76.4
69.03079	4.1
69.03431	55.9
69.07074	36.7
69.24390	26.8
71.04991	11.1
73.02909	8.6
79.05074	4.3
79.05502	64.5
81.02983	5.0
81.03426	66.2
81.07063	100.0
83.01320	2.8
83.04993	20.7
83.08617	14.2
85.02527	2.9
85.02929	38.1
85.06542	6.7
87.66696	2.5
91.03957	5.1
91.05485	62.8
93.07053	59.7
93.79163	2.8
95.04984	13.8
95.08614	50.6
97.02894	42.4
97.06537	13.6
97.10164	9.8
99.04461	12.0
99.08087	9.0
101.02367	4.8
101.52345	2.7
103.03951	5.4
105.07036	70.2
107.04959	19.0
107.08604	50.4
109.02884	10.2
109.06502	17.8
109.10166	25.1
111.04448	8.4
111.08050	7.0
113.06010	3.5
115.03930	3.7
115.05515	3.0
117.07018	27.3
119.08591	48.8
121.06534	7.1
121.10150	27.6
122.85811	3.2
123.04458	5.6
123.08061	10.0
123.11700	9.0
125.09605	10.5
127.03930	21.6
129.05476	9.2
129.07007	13.1
130.07762	3.7
131.08588	37.0
133.06573	6.2
133.10138	41.7
135.08020	8.4
135.11729	15.1
137.09599	5.5
141.06964	4.7
143.08560	13.1
145.04987	5.9
145.06430	4.2
145.10130	32.1
147.08049	5.0
147.11707	35.6
149.05988	4.3
149.09657	17.5
149.13249	11.1
153.09215	3.4
155.08574	5.3
157.10130	11.8
159.08043	3.5
159.11688	29.1
161.09650	6.4
161.13277	10.5
163.11200	9.6
165.12791	4.9
169.10007	6.1
171.11705	7.0
173.04451	12.7
173.09645	6.8
173.13234	11.7
174.23952	2.8
175.11191	8.3
177.12746	7.3
179.14319	5.9
183.06563	4.8
183.11684	7.0
185.09610	3.4
187.14867	4.5
189.11192	4.6
193.12192	3.6
195.13792	9.4
197.13275	3.8
211.13168	3.7
227.12674	3.9
229.14255	3.2
229.19485	6.2
239.18022	7.5
247.20590	8.8
257.19006	23.8
267.15997	7.0
269.17526	16.3
269.20157	3.6
270.30225	3.0
273.18552	3.9
275.20078	84.4
285.16782	3.0
293.21057	8.7
331.22592	6.1
349.23746	92.8
367.24753	4.8
373.23401	3.4
391.24585	5.4
413.21573	15.9
419.24139	4.2
425.24869	5.2
429.26257	4.4
439.24249	3.3
454.57095	3.0
467.26309	10.9
475.26651	5.6
493.28098	9.2
511.24738	18.1
511.28876	46.1
519.41870	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	511.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	16.7
55.01859	21.2
55.05524	42.8
57.03423	28.6
61.02923	15.3
67.05189	6.5
67.05514	90.5
69.03436	43.0
69.07067	30.5
70.12804	23.7
71.04993	13.8
73.02900	10.2
77.97121	6.6
79.05499	64.2
79.23537	5.6
81.03426	68.5
81.07062	100.0
83.04967	15.1
83.08606	20.2
85.02895	33.0
91.03937	8.0
91.05492	73.4
93.07054	69.1
95.04964	18.2
95.08604	42.4
97.02908	40.0
97.06525	19.5
97.10174	15.1
99.04420	6.3
103.03920	8.3
105.07034	70.4
107.04926	16.4
107.08607	43.3
109.06500	11.5
109.10148	29.5
117.07007	31.3
119.08599	46.1
121.06503	13.8
121.10136	36.4
123.04453	5.8
123.08104	13.1
123.11720	10.3
125.09638	11.6
127.03880	18.3
129.05466	7.4
129.06990	12.4
131.08559	37.7
133.10135	42.9
135.08037	9.1
135.11708	17.2
137.09612	9.1
143.08597	14.9
145.06433	7.9
145.10181	32.1
147.11682	27.4
149.09634	17.1
149.13211	9.6
155.08525	9.0
157.06529	6.3
157.10123	10.7
159.08017	7.3
159.11681	23.3
161.09572	7.5
161.13290	7.6
163.11206	14.4
171.11665	10.3
173.04460	9.7
173.13278	16.0
175.11174	8.2
193.12314	7.3
195.13844	7.5
229.19629	6.4
257.18970	17.4
269.17444	12.9
275.20065	74.6
349.23764	90.0
413.21826	6.0
419.24152	7.8
475.26590	8.8
493.28009	22.5
511.28641	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	511.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18559	2.7
53.03949	17.0
53.51753	3.4
55.01864	10.5
55.05519	26.1
57.03438	29.7
61.02934	17.2
65.03934	4.6
67.05179	4.9
67.05509	76.9
69.03436	52.7
69.07072	35.3
70.26643	7.7
70.27040	7.0
71.05007	15.9
73.02914	14.2
75.16920	2.8
79.05071	4.5
79.05502	62.4
81.03428	78.4
81.07063	100.0
83.04987	29.6
83.08605	14.0
85.02908	49.3
85.06519	7.5
87.04466	3.7
89.81806	3.2
91.03951	8.3
91.04909	3.9
91.05486	75.9
93.07050	63.3
95.04992	16.6
95.08623	45.6
97.02908	47.0
97.06563	18.5
98.20921	3.7
99.04457	15.1
99.08092	11.5
101.02388	6.8
103.03895	5.4
103.05515	3.9
105.07038	57.1
107.04974	16.7
107.08602	40.3
109.02913	17.8
109.06514	13.6
109.10151	21.9
111.04424	6.4
111.08081	6.3
117.07031	31.5
118.70993	3.4
119.08577	46.5
121.06509	9.6
121.10155	23.9
123.08032	9.0
123.11744	6.3
125.09617	6.9
127.03944	25.6
127.07536	3.6
128.06204	5.3
128.41408	3.7
129.05461	7.8
129.07011	10.9
131.08578	36.9
133.10127	42.7
135.07996	11.5
135.11688	13.7
136.37480	4.1
137.09605	7.9
138.44516	3.3
138.56213	3.4
141.07043	3.9
143.08563	14.3
145.04984	8.6
145.06473	6.8
145.10121	31.7
147.08061	5.7
147.11716	24.8
149.09612	16.7
149.13258	18.2
151.11189	4.2
155.08508	5.1
157.10132	8.3
159.11705	35.1
161.13147	7.7
163.11163	3.9
165.09111	4.2
165.12737	3.9
167.07211	3.4
169.10085	6.3
171.11670	9.9
172.95715	3.3
173.04443	15.6
173.09677	5.8
173.13277	13.5
175.11171	6.1
177.12724	7.1
183.06665	8.1
183.11667	6.7
187.14838	3.7
193.12212	4.9
195.13773	20.6
197.13210	7.1
201.12762	4.6
213.14751	4.6
215.14227	3.8
219.13797	3.7
225.11090	5.4
229.19522	5.1
235.16939	3.9
239.18001	8.1
247.20644	6.0
257.18961	24.4
261.14972	3.5
269.17557	31.2
273.18518	4.2
275.20053	67.9
283.15320	3.9
291.19501	6.4
293.21320	5.5
297.17065	7.2
311.18939	3.5
331.22675	7.1
349.20557	3.4
349.23764	92.6
361.23544	4.5
367.24899	3.8
377.19086	3.5
391.24811	4.9
413.21994	17.9
457.25894	4.1
475.26593	4.9
493.27762	14.4
511.21359	4.8
511.28946	76.7
517.70618	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	511.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34232	2.0
52.94354	2.4
53.03946	12.6
55.01876	11.9
55.05266	2.6
55.05518	33.1
57.03444	28.1
57.07064	2.9
57.49648	2.1
58.29051	2.2
59.04996	2.0
61.02918	9.7
62.00916	2.1
65.03938	5.0
67.05509	78.4
69.03433	54.4
69.07073	22.6
70.10790	3.5
70.11189	5.9
71.01349	5.7
71.05006	12.6
73.02914	7.7
79.01465	2.0
79.05070	3.9
79.05503	63.6
81.03426	73.5
81.07066	100.0
83.04984	23.0
83.08625	15.1
85.02917	34.6
85.06554	4.1
87.04464	2.7
91.03983	4.0
91.05491	71.2
93.07055	64.8
95.04974	17.2
95.08615	40.5
97.02896	40.4
97.06561	11.7
97.10162	6.4
99.04489	11.9
99.08073	4.4
101.02330	3.9
103.03968	7.2
103.05489	4.5
105.07041	56.4
107.04955	12.2
107.08602	41.5
109.02895	16.0
109.06528	15.4
109.10172	23.4
111.04451	6.6
111.08096	9.2
115.05443	2.5
117.07031	27.5
119.04967	3.1
119.08590	43.8
119.09375	4.0
121.06536	8.0
121.10146	23.3
123.04452	5.5
123.08090	9.1
123.11717	7.3
125.09651	4.2
127.03928	21.0
129.05493	6.3
129.06995	12.7
130.07771	2.9
131.04970	2.8
131.08585	33.6
133.06523	4.9
133.10147	39.6
135.08064	10.9
135.11711	19.3
137.06017	5.6
137.09628	5.4
139.11131	2.6
141.06993	4.4
142.07814	3.1
143.08606	11.9
145.04964	5.4
145.06509	5.7
145.10124	28.4
147.04413	2.9
147.08043	4.5
147.11700	25.2
149.09656	11.1
149.13268	15.3
151.11226	6.7
153.09087	2.5
155.08568	5.4
157.10139	10.4
159.11713	29.4
161.09636	4.9
161.13268	7.6
163.11211	7.4
165.12764	4.4
169.10136	5.9
171.08015	3.0
171.11713	11.2
173.04482	21.4
173.09619	2.5
173.13274	10.5
175.11192	7.0
177.12782	6.7
183.06580	3.5
183.11784	4.3
185.09679	2.3
185.13333	2.7
187.14905	4.6
189.12810	4.4
193.12256	8.9
195.13821	10.2
197.13312	5.1
201.09180	4.3
201.12871	3.2
211.13271	5.4
213.14911	3.6
215.14326	2.8
229.19377	5.0
239.17995	6.8
247.16994	2.3
247.20638	7.5
255.15901	2.8
257.18988	17.9
267.15939	3.7
269.17508	10.5
275.16959	3.6
275.20090	57.9
291.19653	2.7
293.21176	5.8
321.24338	3.4
331.22620	3.2
339.18097	3.3
349.23770	68.2
355.23233	2.9
365.20062	2.7
367.24738	5.7
383.22321	3.7
401.23138	3.5
413.21729	28.8
419.24411	3.7
457.26056	4.1
475.26895	5.4
493.27896	17.1
511.29282	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	511.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	17.3
55.01869	6.7
55.05517	24.2
57.03440	29.3
61.02921	5.8
65.03918	4.0
67.05508	74.2
69.03430	51.2
69.07073	27.6
69.43137	13.8
69.43546	6.8
69.46786	2.7
71.04999	15.6
72.47961	3.1
73.02891	4.1
79.05492	57.9
81.03424	87.4
81.06587	6.5
81.07058	100.0
83.04968	24.5
83.08604	12.5
85.02913	28.6
85.06512	5.0
91.05486	51.5
93.07050	56.1
95.04980	14.3
95.08610	39.2
96.36632	2.9
97.02895	48.0
97.06519	14.1
97.10161	5.2
98.20784	6.0
99.04443	15.5
101.02348	4.3
103.03971	3.7
105.07037	53.0
106.08333	3.3
107.04961	13.2
107.08601	36.9
109.02875	18.1
109.06571	14.5
109.10159	24.8
111.04459	6.9
111.08086	5.2
117.07014	23.6
117.11703	3.5
119.08578	32.0
121.06503	8.5
121.10141	24.0
123.04472	4.2
123.08046	7.9
123.11705	7.1
125.05983	3.0
125.09681	7.5
127.03918	27.4
129.05493	7.5
129.07004	9.0
131.08566	30.9
133.06488	5.5
133.10144	39.8
135.08038	7.0
135.11699	12.8
137.09569	2.8
139.11191	3.6
139.17682	2.8
141.06947	3.7
143.08618	7.2
145.04941	3.5
145.06505	4.8
145.10115	26.9
147.07976	3.4
147.11708	24.8
149.09607	10.2
149.13280	18.0
151.11168	8.4
155.08540	4.8
157.10114	6.7
159.11642	19.2
161.13194	5.0
163.11171	6.9
165.12837	7.1
169.10168	5.2
171.11681	6.4
173.04477	40.2
173.05881	5.0
173.13242	9.4
177.12744	8.2
183.06560	5.6
189.94125	2.9
191.14613	2.7
193.12268	6.0
195.13823	21.4
197.47672	2.7
211.13144	3.7
229.19516	3.3
237.06322	2.9
239.17961	4.0
239.29945	3.1
245.18907	3.1
247.20636	4.6
257.19067	10.3
261.15048	3.1
267.15866	5.5
269.17389	15.3
275.20105	43.7
303.15796	3.9
331.22549	5.4
334.18115	3.2
339.17810	7.1
349.23740	48.3
377.23389	3.7
395.20801	5.0
413.21686	52.5
475.26892	4.1
493.27841	12.4
511.29019	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3547
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
54.32981	0.6
55.05493	1.4
56.05034	1.0
57.03418	0.9
57.07074	5.5
58.06594	1.9
60.07884	1.1
60.08169	16.4
66.28922	0.5
67.05508	3.2
68.92712	0.5
69.07071	1.5
69.39399	1.9
69.39822	2.3
71.07371	5.5
71.08637	4.5
79.05499	0.7
81.07069	3.0
83.08617	1.1
85.10171	2.4
86.09708	50.2
91.99113	0.5
93.07043	0.6
95.08605	2.6
97.10161	1.4
98.98476	3.9
104.10748	100.0
109.10188	1.3
120.02593	0.6
125.00007	27.2
148.64766	0.6
163.01636	1.1
171.11653	0.6
184.07349	97.5
239.23701	2.4
258.11108	1.0
302.26651	0.6
313.27472	6.5
327.28848	1.4
331.28561	1.0
338.27545	1.0
433.27368	0.6
473.75275	0.7
492.34622	9.3
510.35593	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	510.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90681	1.7
53.03946	2.0
55.05496	6.3
56.32807	2.0
57.03435	2.6
57.07082	62.2
60.93593	2.0
61.02924	3.8
67.05510	15.8
69.03423	4.4
69.07062	12.3
69.92469	4.2
69.92883	7.0
71.08637	44.2
81.03410	3.0
81.07068	27.6
83.08626	15.1
85.02907	9.3
85.10188	23.1
86.09707	3.4
91.05474	2.1
95.08620	36.7
97.02885	8.9
97.10173	8.1
99.04465	2.2
104.10724	5.1
107.08566	2.2
109.02877	3.0
109.10175	15.8
111.11649	2.3
123.11698	7.9
127.03886	9.2
137.13257	2.6
145.04971	4.6
148.84975	2.0
165.16457	2.2
184.07433	5.1
185.39302	2.3
198.09084	2.0
217.83173	1.9
239.23729	52.6
257.24719	5.5
287.15411	2.3
313.27386	100.0
331.28430	20.0
383.27942	14.2
401.29028	42.1
418.83243	2.0
510.36047	4.7
521.73804	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	510.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.01874	1.2
55.05298	0.5
55.05526	4.0
56.32495	0.5
57.03442	3.7
59.05009	0.9
62.08143	0.5
65.03934	0.9
67.05512	11.2
69.03420	2.5
69.06727	0.7
69.07074	7.4
71.01359	1.0
71.03924	1.0
71.05006	2.9
79.05127	0.6
79.05506	6.7
79.45531	0.5
81.03410	1.1
81.07065	36.9
83.04996	3.8
83.08628	3.6
85.02911	6.2
85.06548	3.2
87.04468	1.4
91.04972	1.0
91.05489	11.9
93.07053	5.8
95.04954	1.7
95.08620	8.7
97.02888	2.3
97.06528	4.0
97.10187	0.6
99.00817	1.7
99.04448	1.2
99.08069	1.9
103.03952	0.9
105.07043	18.0
107.08581	6.6
109.06546	3.0
109.10155	1.3
111.04446	1.1
111.08103	0.7
113.02377	0.9
113.06030	0.7
114.72359	0.5
119.08593	14.4
121.09340	0.7
121.10160	10.7
121.18731	0.6
123.08063	2.4
123.11719	15.7
127.07555	1.5
129.06987	1.1
131.08580	0.5
133.10149	1.7
137.05966	0.7
137.13264	1.5
141.01816	0.7
141.09105	0.8
145.10089	0.8
147.11703	44.1
157.10158	2.2
158.49300	0.6
165.12764	19.3
173.04312	0.6
175.11198	2.3
183.13777	3.2
189.52562	0.5
193.12245	3.2
196.00339	0.6
211.13356	0.9
229.14378	6.4
267.15945	49.7
285.16995	100.0
286.17429	1.4
288.69156	0.6
298.33817	0.6
320.22284	0.8
333.13538	1.0
425.18134	1.1
441.14276	0.8
447.39371	0.6
457.20660	6.7
457.42358	0.6
475.21854	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
54.37915	0.8
55.01868	1.4
55.05518	1.5
57.03421	1.5
57.07084	1.7
61.02922	2.9
67.05514	4.7
69.03433	5.4
69.07070	3.1
70.06570	1.8
71.52854	1.7
72.92397	1.0
73.02927	1.2
79.05488	6.1
81.03426	3.2
81.07062	100.0
85.02908	42.4
86.09714	1.1
91.03945	2.6
91.05482	2.4
93.07052	2.0
95.01328	8.7
95.08620	17.8
97.02898	13.1
99.00825	1.0
99.04443	2.5
103.03951	2.4
107.04970	1.4
109.02898	5.5
109.10162	2.1
113.02371	1.6
121.35661	1.0
123.36314	1.1
127.03912	14.9
137.13268	26.4
141.01839	27.6
145.04965	27.9
147.04413	2.3
159.02901	5.7
161.09592	1.3
163.06036	14.1
177.03976	1.8
226.78297	1.0
313.16415	2.6
321.08148	3.1
519.41809	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01878	1.5
55.05512	6.1
57.03444	5.1
57.07068	0.9
65.03937	0.8
67.05176	1.1
67.05509	17.0
69.03430	1.1
69.07072	7.7
70.01251	3.0
70.06586	0.8
71.04091	0.7
71.05000	1.9
79.05505	10.2
81.03404	2.4
81.07063	40.9
82.07390	1.3
83.04993	4.6
83.08635	3.7
85.02912	4.2
85.06538	2.5
91.05492	14.4
92.05848	1.4
93.07039	8.1
95.01318	2.6
95.04971	2.9
95.08612	10.5
97.02922	1.0
97.06001	0.7
97.06542	4.7
97.10155	1.6
99.08109	2.2
105.03365	1.2
105.07038	16.9
105.72686	0.8
107.04932	1.7
107.08597	7.8
109.06541	3.9
109.10154	2.4
110.10506	1.0
111.08103	1.0
117.07053	1.2
119.08588	15.3
121.10158	10.8
122.06892	0.7
123.04446	0.9
123.08065	2.2
123.11724	12.2
125.09658	1.7
129.06972	1.5
131.08572	2.6
133.10126	6.6
135.08136	0.7
137.13240	2.3
141.01874	3.7
141.09149	1.0
145.06403	0.8
145.10139	1.7
147.11700	45.0
148.12039	0.9
149.09598	1.0
157.10100	2.9
163.11238	1.0
165.12767	24.1
175.11198	5.9
177.38512	0.7
179.07043	2.4
193.12263	11.1
197.15411	4.8
219.13663	0.9
225.14862	4.7
227.12817	0.9
229.14340	1.8
243.15926	7.0
267.15973	10.7
275.19897	1.1
285.16971	3.7
299.18555	100.0
300.06015	0.9
317.19574	3.5
368.23013	1.7
369.26556	1.2
386.24130	1.7
390.23309	0.8
398.72086	0.8
460.27896	3.9
475.21747	1.1
478.28824	2.5
492.30536	1.6
510.12708	1.5
510.28183	0.8
532.04120	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.0
69.03419	0.8
70.06567	1.5
70.98070	1.3
73.02894	0.8
81.03329	0.6
81.07063	1.6
85.02894	2.0
91.05502	0.8
95.32732	0.7
109.10129	0.8
116.07093	1.4
127.09980	0.7
129.07047	3.4
131.04956	0.7
131.08577	5.4
137.06010	0.7
141.06976	2.6
151.11194	2.6
157.06525	4.4
158.07249	1.9
159.08031	5.9
160.05093	0.8
169.06468	1.7
169.12221	0.8
170.07176	0.7
174.06761	10.2
175.07535	2.9
186.06773	1.7
188.08104	0.7
189.09111	19.7
191.10667	2.3
201.09137	7.8
203.10681	2.6
219.10167	100.0
221.11685	1.3
237.11200	2.1
533.51428	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
56.96292	0.9
56.96567	12.1
57.03443	1.2
61.02935	0.6
69.03436	3.8
69.45564	0.5
71.04984	0.5
72.67454	0.5
73.02906	1.7
73.06540	1.0
81.03423	1.3
81.18423	0.6
83.97646	3.6
84.08153	0.6
84.96051	1.2
85.02430	0.7
85.02911	8.7
87.04494	1.4
87.05608	0.6
88.04025	0.6
89.03921	0.7
91.05488	1.4
91.64466	0.6
97.02899	3.4
98.01550	0.6
98.97595	24.6
99.04475	0.9
99.97143	1.1
104.07116	1.9
104.26059	0.5
109.02885	0.6
110.79651	0.5
110.97573	5.0
112.99141	0.8
116.98630	6.7
117.03391	1.6
119.01865	0.8
119.04947	1.6
127.00738	0.8
127.03919	3.9
128.00218	25.7
128.98587	4.1
130.08679	0.5
131.00175	0.9
133.06090	0.8
134.04451	0.8
134.99667	1.3
136.06194	1.7
137.05957	1.5
137.98650	1.3
140.98634	0.5
143.00194	1.7
144.98132	0.6
145.01791	1.3
145.02867	3.4
145.04996	2.2
146.01266	43.2
146.99654	1.8
147.03282	2.1
147.04434	7.6
148.04774	1.3
149.05901	0.7
155.04756	0.6
155.99677	6.4
156.03374	1.7
158.99657	13.4
159.03336	0.7
161.01245	1.4
161.02847	0.5
161.04774	0.7
164.02325	32.6
165.04375	1.0
167.07133	1.2
168.03358	1.4
168.05475	0.7
170.05196	1.3
170.99660	2.2
174.00739	7.7
174.04373	2.8
175.02905	0.8
177.00743	6.7
177.04163	0.7
177.05504	6.7
182.03355	5.1
182.99721	0.6
184.06500	0.8
184.43686	0.6
186.04448	3.1
189.00771	1.4
189.04347	3.1
191.02391	0.6
191.03951	1.3
192.01854	1.8
198.40675	0.6
200.04372	0.9
200.05975	4.6
201.00778	2.2
201.04416	1.2
201.73407	0.6
202.00258	3.3
203.02213	0.8
204.05461	2.3
207.05296	1.2
210.04378	4.4
218.07034	26.7
219.01785	11.0
220.01459	1.6
222.06549	0.5
228.05440	15.8
231.05525	1.2
236.08043	5.2
237.02859	9.7
240.05479	1.9
242.07214	0.6
243.01854	0.6
246.06438	4.1
251.07637	1.2
258.06497	19.3
261.02948	1.1
262.06012	1.0
272.08139	1.0
276.07581	63.3
279.03854	0.9
281.07224	2.1
290.09219	0.6
291.07526	9.6
294.08655	3.7
299.09131	2.1
309.08588	21.4
321.04962	0.8
321.08444	0.6
354.07159	6.3
362.09689	0.7
363.09747	1.3
380.12335	12.1
381.06949	0.8
384.11905	0.8
390.10776	2.8
436.11111	1.2
462.16568	17.1
492.17642	8.0
510.18661	100.0
511.19363	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.6
55.01881	5.1
55.05516	39.3
57.03430	9.7
57.07070	11.0
66.48627	2.4
67.05177	4.2
67.05509	48.7
69.03423	6.3
69.07076	49.0
69.84628	8.6
69.85030	5.7
70.00355	2.5
71.04993	9.4
71.08628	6.9
79.05071	2.8
79.05502	34.1
81.03425	10.1
81.07062	100.0
83.04974	5.9
83.08619	32.8
85.02910	14.7
85.06561	12.1
91.05489	18.6
93.07041	32.5
95.04990	19.7
95.08614	91.6
97.02914	4.3
97.06541	4.5
97.10179	30.7
98.21481	5.4
99.08091	5.0
105.07035	13.3
107.04944	10.4
107.08601	25.5
109.06519	11.7
109.10171	53.2
111.04402	3.8
111.08131	3.4
111.11729	15.8
113.09634	2.9
117.07030	10.2
119.08580	7.4
121.06509	9.8
121.10142	14.9
123.04478	2.7
123.08127	3.9
123.11730	28.4
125.09643	13.2
125.13248	7.8
129.07059	4.2
131.08562	11.7
133.06445	4.0
133.10110	8.9
135.08037	6.4
135.11691	11.5
137.06003	3.2
137.13269	15.8
139.11172	2.8
139.14835	3.6
143.08545	4.0
143.14394	2.9
145.06509	7.1
145.10103	5.7
147.08066	3.3
147.11684	3.3
149.09637	5.0
149.13272	14.3
151.14807	21.7
153.09131	2.9
155.14284	2.9
159.08128	3.0
159.11725	4.1
163.11169	4.4
163.14847	9.8
165.16411	13.5
167.10670	2.9
173.13263	4.3
177.16397	3.8
179.17976	4.6
183.66429	2.8
185.13223	2.6
193.12344	2.8
199.13293	4.4
199.20714	2.6
205.12213	4.2
205.19499	4.3
219.13832	8.1
219.21268	2.8
223.13307	4.3
227.12752	6.4
233.15390	4.7
237.14923	2.9
267.26874	4.6
273.14600	4.8
275.27325	11.9
281.28448	4.2
293.17236	6.3
293.28433	27.0
311.29550	14.0
318.22482	2.6
329.30573	4.2
339.23090	3.0
349.21707	3.8
367.22714	20.2
385.23758	19.4
403.24615	7.1
416.23151	3.1
441.26639	5.4
459.27466	28.5
477.28394	16.6
491.30658	12.7
509.27109	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	509.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08182	0.7
53.03944	1.0
55.05268	1.1
55.05515	11.2
57.03429	2.8
57.07068	2.0
62.24612	0.7
65.03936	1.2
66.99899	0.8
67.05178	1.3
67.05509	15.5
69.06728	1.2
69.07075	17.4
69.37104	5.5
71.04984	1.8
71.08620	0.8
79.05492	7.5
81.03400	1.5
81.07065	18.7
83.04982	1.5
83.08630	10.6
85.06536	1.7
91.05489	16.6
93.07050	9.2
95.04978	1.8
95.08612	18.0
97.06521	2.3
97.10173	9.8
98.21512	1.4
103.05485	0.7
105.07026	5.0
107.04945	1.8
107.08613	6.3
109.06483	1.5
109.10150	7.8
111.08104	1.3
111.11732	2.8
113.09666	0.9
119.04106	1.4
119.04950	21.0
119.08585	4.0
121.06521	0.8
121.10144	7.6
123.08063	1.3
123.11703	3.2
125.09624	1.6
125.13326	1.0
131.08543	1.4
133.10138	5.0
135.11676	5.3
137.05977	1.7
137.09650	1.6
137.13258	1.3
145.69353	0.7
147.04420	100.0
147.11684	4.2
149.13277	2.2
151.11160	1.3
153.12819	1.7
161.13310	3.4
163.11264	1.1
165.05479	2.2
165.12740	2.0
167.06926	0.8
175.14767	1.3
179.14433	0.7
217.19530	5.0
221.08087	1.1
227.12834	1.2
235.20576	6.7
253.21729	3.9
281.17511	2.0
309.24301	3.7
318.82632	0.8
327.25327	55.8
328.25635	1.1
367.22760	1.3
459.27393	1.9
473.28796	7.8
491.30096	5.2
509.14587	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01886	1.4
55.05272	1.2
55.05518	18.4
57.03434	4.5
57.07064	4.1
65.03957	1.5
67.05513	19.3
69.07072	26.6
71.04993	1.5
71.08626	1.0
71.53851	1.8
75.98232	0.9
79.05498	11.0
81.03403	1.1
81.07065	28.1
83.05006	1.5
83.08629	16.4
85.06548	1.7
91.05492	16.7
93.07050	12.0
95.04983	2.3
95.08615	25.4
97.06519	3.7
97.10175	15.1
99.08099	1.7
105.07030	6.0
107.08610	8.9
109.06487	1.1
109.10139	11.6
111.08084	1.7
111.11720	4.3
113.09702	1.3
115.07639	1.1
119.04949	21.2
119.08578	5.7
121.10132	10.2
123.08054	2.2
123.11747	5.0
125.09602	2.0
125.13253	1.0
125.72545	1.1
133.10132	5.6
135.11726	11.0
137.09604	1.9
137.13252	2.2
139.11221	1.4
147.04420	100.0
147.11662	5.8
149.13300	2.3
151.11180	2.4
151.14809	1.9
153.12753	2.0
161.13281	4.6
165.05504	7.8
165.12692	2.2
175.14902	1.6
179.14331	2.1
193.05052	1.1
217.19518	10.2
221.08104	1.8
235.20581	11.0
237.07628	1.8
253.21654	6.8
309.24225	4.2
316.71729	1.1
327.25320	89.8
459.27209	1.6
473.28961	7.8
491.29926	3.8
509.27878	1.0
509.31409	1.2
510.34232	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92206	4.7
55.01855	15.4
55.02132	4.9
55.05515	58.6
57.03427	18.0
67.05231	5.6
67.05509	61.4
69.03442	11.2
69.07089	23.4
70.15871	12.7
71.04984	9.9
77.03896	4.4
77.80293	5.6
79.05495	82.1
81.03423	25.7
81.07060	90.1
83.04980	9.9
83.08628	29.2
85.02912	10.8
91.05482	49.3
93.07053	66.1
95.04972	60.2
95.08608	32.2
97.02858	6.3
97.06532	11.8
97.10178	40.9
98.20818	5.5
99.04469	5.1
105.07033	29.4
107.04974	51.8
107.08596	38.5
109.06528	37.4
109.10175	26.1
111.08074	5.8
113.70328	4.5
117.07038	23.9
119.08601	22.3
121.06525	39.8
121.10150	31.5
123.08081	16.0
123.11726	6.9
125.09647	36.1
127.03883	6.4
129.06979	12.2
131.04901	8.1
131.08595	28.7
131.94778	4.6
133.10144	17.4
135.08029	21.3
136.77177	4.6
139.93692	4.9
143.08594	9.5
145.06490	21.1
145.10117	12.2
147.08028	9.9
147.11691	13.6
149.09647	6.3
153.09140	11.2
157.10112	7.8
161.05972	6.1
161.09669	9.1
163.11180	14.1
167.10736	8.2
171.11722	5.9
173.13283	6.3
189.11192	12.6
191.14299	8.2
193.12218	7.2
195.11789	7.4
199.11234	7.5
199.13246	17.0
205.12303	5.2
217.12294	6.4
219.13794	29.3
223.13278	8.9
227.12787	13.4
233.15358	18.5
237.14751	6.6
241.12149	9.6
267.16061	9.9
273.14752	13.3
273.17209	11.3
275.16333	5.0
281.06744	13.3
293.17465	24.8
299.18558	6.0
349.21597	19.4
353.22180	4.7
357.24210	6.5
367.22757	67.0
385.23740	68.7
403.24506	18.1
441.26337	18.9
459.27463	100.0
477.28537	59.2
491.30118	33.1
509.12872	6.4
509.31223	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	509.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01887	2.0
55.05495	1.5
57.03433	1.8
61.02922	0.9
67.05509	2.4
68.99789	0.9
69.03088	0.8
69.03435	10.1
69.07058	1.0
69.39795	2.9
71.04991	1.4
73.02907	1.7
79.01194	0.3
79.05501	1.9
81.02986	0.7
81.03424	9.2
81.07063	3.2
83.01328	0.5
83.04971	0.8
83.08615	0.6
85.02911	21.2
87.00834	7.7
87.04430	0.5
91.03940	0.8
91.05460	1.4
93.07065	2.0
95.04962	0.7
95.08598	1.0
97.02901	6.2
99.04456	4.0
103.03908	0.5
105.01866	5.8
105.07034	1.5
107.04991	0.6
107.08595	1.4
109.02891	10.4
109.06483	0.5
109.10146	1.0
115.05475	0.5
117.01826	1.2
117.07020	0.6
119.08576	0.5
121.06504	0.9
121.10146	0.7
125.09627	0.6
127.03922	15.4
128.06178	0.5
129.01836	1.3
129.07043	0.5
131.08577	0.5
133.10152	0.5
135.07999	0.5
135.11644	0.8
136.39357	0.4
144.05843	0.4
145.04974	5.0
145.10133	1.1
147.02934	0.9
156.05676	1.3
157.51076	0.4
158.07251	1.0
159.02928	4.0
163.11165	0.8
170.20482	0.5
171.08052	1.9
173.09483	0.5
186.06776	7.8
188.08315	2.2
189.09129	1.1
193.12210	0.5
201.09116	100.0
202.09534	0.5
213.03882	0.6
214.09918	0.5
215.10728	1.1
225.09142	3.3
227.12840	0.7
228.11443	0.8
231.05060	3.2
239.10693	0.5
243.10233	3.8
243.13812	21.1
255.13977	0.4
261.14880	38.2
267.10129	0.5
267.13858	1.2
285.14960	4.1
303.15945	2.9
324.01456	0.5
327.15964	0.9
351.15894	0.9
367.21942	0.5
413.12296	0.5
441.64575	0.4
455.17072	1.0
473.18289	0.8
491.26776	0.6
509.26782	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65014	5.0
53.03943	9.3
54.56501	4.7
55.01857	16.8
55.05514	54.4
55.85754	5.5
57.03426	18.7
59.05003	5.0
67.05508	74.3
69.03421	7.7
69.07070	34.5
69.79600	8.3
69.80006	20.9
71.04980	20.1
73.02986	5.4
79.05497	82.6
81.03429	27.0
81.07062	96.5
83.04962	15.9
83.08620	42.6
85.02885	16.1
85.06532	10.5
91.05473	44.0
93.07053	65.6
95.04978	83.2
95.08604	61.6
97.02898	6.7
97.06505	13.2
97.10160	46.1
105.07028	36.6
106.00865	4.6
107.04974	46.8
107.08603	40.0
109.06521	51.6
109.10147	32.2
110.29875	5.0
111.08038	9.4
111.11735	5.6
117.07034	30.6
119.08580	28.2
119.62669	6.2
121.06487	31.5
121.10152	37.2
121.80018	4.8
123.08098	14.5
123.11695	15.7
125.09625	38.9
129.06975	17.5
131.04924	7.0
131.08557	21.6
133.06502	7.3
133.10136	14.8
135.08057	24.6
135.11678	7.7
137.05933	6.7
137.13245	5.8
141.06956	8.0
143.08554	10.4
145.06470	23.3
145.10118	26.8
147.04486	6.9
147.08076	11.7
147.11603	7.1
149.05971	5.8
149.09645	11.9
149.13232	8.6
151.11153	6.5
153.09109	13.5
155.08539	6.5
157.06488	6.0
157.10094	10.4
159.08018	9.9
159.11664	8.5
161.05927	7.3
161.09651	13.5
161.62044	5.6
163.11169	19.6
167.10693	19.0
169.10117	5.7
171.11670	9.7
173.13289	8.0
173.38974	4.9
175.11229	8.8
177.12709	8.6
185.13289	7.0
189.11197	20.8
189.12730	6.0
193.12199	16.6
197.13237	8.1
199.11394	6.8
199.13332	16.8
201.12767	9.8
205.12358	6.1
211.11046	8.1
219.13815	27.3
223.13336	10.5
227.12770	19.3
233.15387	15.5
237.12602	7.8
237.14819	5.8
238.12938	5.0
267.15930	9.6
267.79230	4.5
273.14734	13.0
273.17191	9.4
275.16531	5.5
275.27448	6.4
279.65717	5.3
283.15390	8.7
289.05313	17.2
293.17441	23.2
293.28387	8.8
299.05511	10.2
299.16541	5.8
320.26132	8.6
339.23215	8.2
349.21487	27.7
367.22690	60.4
385.23746	76.7
403.24792	20.2
441.26166	15.8
459.27530	100.0
477.28564	55.2
491.30453	34.6
509.27927	9.8
510.33646	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	507.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
55.05516	27.1
57.03426	5.9
57.07080	26.2
59.05005	2.4
62.62783	1.5
64.63104	1.4
64.81123	1.6
65.03937	3.6
67.05510	100.0
69.03434	2.2
69.07069	18.9
69.18823	13.9
69.74982	1.6
71.04993	4.7
71.08634	20.1
79.05502	36.8
81.03426	2.3
81.07063	91.0
83.04981	5.8
83.08624	21.9
85.06553	5.1
85.10189	10.1
91.05483	24.9
93.07053	47.7
95.04990	4.6
95.08613	48.3
97.06554	4.7
97.10180	15.6
99.08104	1.8
105.07037	17.9
107.08601	30.8
109.10163	54.5
111.08111	5.0
117.07027	8.4
119.08588	16.6
121.06447	1.8
121.10170	17.7
123.08096	1.6
123.11719	12.3
125.09644	7.3
129.07007	2.9
131.08560	13.3
133.09239	2.3
133.10139	18.9
135.11702	15.7
137.09657	2.5
137.13274	3.2
139.11166	2.6
143.08536	2.7
145.10098	9.5
147.11714	7.6
149.13249	14.3
155.10655	3.7
157.10153	2.9
159.11687	13.0
161.13268	4.6
163.14793	2.0
171.11624	3.2
173.11743	12.2
173.13289	5.1
175.14795	1.9
177.12755	4.7
183.25922	1.6
187.14833	3.8
189.11238	7.6
195.13806	6.0
205.69868	1.7
209.11407	1.9
213.16347	1.6
227.12811	9.7
229.14354	31.4
231.15833	2.4
239.23767	5.3
243.21071	4.4
261.22162	21.0
317.24792	3.2
335.25830	21.2
361.23822	2.0
379.29715	3.9
397.31009	4.7
415.32047	6.7
433.32990	3.8
471.34726	4.5
489.35745	45.0
497.08713	1.8
507.41180	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	507.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	2.2
55.05519	13.0
57.03435	2.3
57.07082	30.2
61.33621	1.4
65.03941	2.2
67.05509	37.5
69.07076	14.2
71.05025	1.8
71.08282	2.0
71.08642	18.8
79.05502	21.7
81.03439	2.5
81.07064	47.3
83.04998	4.3
83.08626	16.2
85.06554	2.5
85.10184	13.0
91.05492	10.7
93.07054	26.3
95.04973	3.2
95.08617	28.7
95.09184	2.5
97.06541	5.7
97.10165	7.0
98.20817	3.1
105.07039	5.1
107.08601	13.9
109.10168	11.5
111.08107	2.2
117.07054	4.0
121.10196	6.0
123.11732	6.1
131.08586	4.7
133.10199	6.9
135.07964	1.8
135.11739	4.1
149.13271	13.4
159.11720	6.3
177.12814	3.1
195.13795	10.8
239.23703	7.7
507.40582	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1297
Annotation	syringetin-3-O-glucoside
Peak:m/z	Relative Intensity
50.17952	0.5
51.19529	0.4
55.01871	0.9
57.03434	1.0
57.22694	0.6
61.02927	1.4
69.03440	4.1
69.46192	1.0
69.46590	3.0
73.02934	0.6
74.44775	0.4
81.03418	1.7
85.02916	10.3
88.29769	0.5
91.03934	1.0
97.02878	3.5
109.02889	1.1
121.02863	0.7
127.03918	2.1
137.02367	0.6
139.03928	3.0
145.04961	1.4
153.01817	6.6
153.05472	4.0
163.03935	0.7
165.01874	2.2
181.04980	1.5
185.60619	0.5
186.53040	0.5
207.06546	1.0
229.05000	1.0
230.05800	0.6
231.06624	0.6
241.05013	0.7
243.02821	0.7
244.03644	1.1
255.02876	0.6
257.04556	0.8
258.05322	5.5
259.06128	2.4
261.03769	0.6
269.04529	1.5
272.03183	1.0
285.04065	1.3
286.04755	5.1
287.05542	8.1
287.08554	0.9
289.03552	0.7
291.08563	2.0
300.02783	0.7
303.05045	2.7
312.59372	0.5
314.04190	1.0
315.04977	2.2
317.02753	0.6
331.04544	5.2
332.05289	2.6
347.07639	100.0
348.07950	1.2
401.37830	0.6
477.88040	0.5
526.40997	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3683
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
52.42080	1.9
53.03934	2.6
55.01861	2.5
55.05511	25.3
57.03438	11.9
57.07083	9.7
59.04999	3.8
65.03912	3.1
67.05507	100.0
69.07074	18.1
71.04984	5.6
71.08627	9.2
71.54499	3.4
74.67418	2.2
75.41245	2.0
78.48209	2.2
79.05501	27.1
81.07058	65.6
83.04964	2.8
83.08622	17.3
85.06501	2.5
85.10197	3.9
91.05485	23.2
93.07045	36.0
95.04965	3.4
95.08608	48.3
97.06556	2.4
97.10184	13.5
99.08109	2.7
105.07034	16.6
107.08601	26.6
109.10159	69.9
111.08078	3.2
117.07041	7.7
119.07919	2.1
119.08598	21.2
121.10130	19.2
123.08032	2.2
123.11710	7.1
125.09649	15.0
131.08560	15.4
133.10144	12.8
135.11642	10.4
137.09612	5.8
139.11188	2.4
143.08549	4.3
145.10136	10.7
147.11682	13.5
149.09642	2.5
149.13234	7.9
155.10707	2.5
159.11723	11.7
161.13260	7.9
163.14859	5.6
171.11624	3.4
173.11723	15.7
173.13272	9.4
175.14888	3.3
176.99284	4.1
183.11580	2.4
185.13368	4.5
187.14859	5.0
189.11261	10.1
195.00322	46.3
197.13205	2.1
227.12738	12.8
229.14354	51.9
233.22655	2.1
243.21092	6.9
259.20605	4.8
261.22128	21.9
279.23254	2.2
313.27359	12.0
315.23215	2.2
317.24686	2.2
335.25894	26.1
357.27188	2.3
361.22971	2.3
379.29913	4.8
397.30829	9.3
415.32056	7.1
433.33191	6.4
435.30685	2.5
449.47488	2.0
471.34760	6.3
473.81577	2.7
489.35739	57.1
507.26874	14.5
507.36649	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	507.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.05508	21.1
57.07064	11.4
57.39512	2.5
59.04989	2.8
65.03938	2.9
67.05238	2.2
67.05511	30.3
69.03424	8.8
69.07067	33.4
70.03729	2.8
71.04984	6.0
71.08617	4.2
79.05495	23.0
81.03401	8.7
81.06590	5.4
81.07060	100.0
82.07383	11.2
83.04977	4.5
83.08614	18.1
85.02905	11.9
85.06536	7.5
87.00830	3.3
91.05490	15.5
93.07042	29.5
95.04949	7.8
95.08611	63.2
97.02885	6.8
97.06563	5.5
97.10159	11.4
98.20747	7.8
99.04441	6.0
99.08055	4.4
100.11256	5.7
105.07054	15.9
107.08607	28.4
109.02881	3.5
109.06554	3.1
109.10146	36.0
111.04382	3.2
111.08069	7.1
111.11706	8.0
117.06972	4.9
119.08581	19.7
121.06517	2.5
121.10159	22.2
123.08039	3.5
123.11712	21.5
125.09605	5.4
125.13261	3.6
127.03926	12.9
131.08569	3.8
133.10117	16.5
135.11737	14.5
137.05954	5.0
137.09612	3.3
137.13222	19.1
138.13568	4.2
139.11188	2.9
143.08548	5.4
145.04987	3.6
145.10100	8.0
147.11668	11.4
149.13281	25.9
151.11238	3.2
151.14806	4.9
153.12767	4.4
161.13246	7.0
163.11143	5.0
163.14828	11.4
165.09225	2.9
165.12657	3.8
165.16338	3.7
165.92076	2.9
167.07008	2.5
168.13817	2.8
177.16391	6.9
182.15404	4.3
185.13182	4.9
189.16415	3.2
191.17888	3.8
193.12175	2.8
196.13313	5.0
210.14888	4.4
214.06975	2.8
217.19501	4.1
241.19283	2.8
241.21645	3.1
261.83151	2.7
273.25809	12.9
279.26761	7.5
291.26868	17.2
295.23776	3.1
309.27954	19.5
312.26239	3.2
345.09845	3.4
394.32657	2.3
507.21756	7.1
507.29672	9.3
507.38907	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	507.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01870	1.0
55.05268	0.4
55.05514	6.3
57.03199	0.3
57.03438	2.5
57.07063	1.1
63.02353	0.3
65.03938	0.5
67.05506	7.9
69.07071	7.9
70.45219	0.3
71.04989	0.9
71.08622	0.6
79.05501	4.3
81.07060	10.5
83.04989	0.7
83.08624	4.5
85.06539	0.7
89.03920	4.8
91.05482	2.6
93.07049	3.9
95.04949	0.6
95.08612	9.4
97.06556	1.5
97.10177	4.0
99.08089	0.5
101.06002	0.4
105.07052	1.9
107.04955	1.4
107.08569	2.2
108.57029	0.3
109.10160	3.8
111.08077	0.8
111.11704	1.2
117.03383	7.5
119.08611	2.0
120.71227	0.3
121.10159	2.9
123.08064	0.5
123.11720	1.5
125.09653	0.5
125.13241	0.3
125.89001	0.3
129.05513	0.6
133.10124	1.9
135.04424	13.2
135.11682	3.2
137.09619	0.5
137.13249	1.0
139.03873	0.6
139.11194	0.7
145.02847	11.0
145.03999	0.6
147.11668	1.5
149.13185	0.7
151.11195	0.7
153.12682	0.8
161.13297	0.9
163.03909	100.0
165.12778	0.4
175.14847	0.5
179.14359	0.4
181.04959	8.7
186.05615	0.4
217.19531	2.9
235.20561	3.6
237.07585	1.3
253.21623	1.4
299.79169	0.4
301.30746	0.3
309.24231	3.1
327.25305	20.4
443.43549	0.4
456.53055	0.4
489.28375	1.7
507.29532	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	507.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.1
55.01857	4.4
55.05516	25.4
57.03443	26.8
57.07069	6.6
61.02930	15.1
65.03947	1.4
66.01927	1.3
67.05508	37.0
69.03435	56.5
69.07070	45.3
69.41312	10.7
71.01360	1.6
71.05000	6.9
71.08637	1.7
73.02928	7.6
79.05151	1.4
79.05504	15.8
81.02984	1.8
81.03428	24.7
81.06593	2.6
81.07063	53.7
83.01324	1.8
83.04985	4.1
83.08624	29.0
85.02911	100.0
85.06522	5.3
87.04481	10.3
88.68432	1.4
91.03954	3.9
91.05489	11.5
93.07047	22.3
94.69827	1.4
95.08615	50.8
97.02902	41.5
97.06522	6.4
97.10165	27.1
99.04466	9.1
99.08066	4.9
100.27608	1.4
101.02399	2.2
103.03944	3.4
103.43991	1.5
105.07035	8.6
107.08597	13.4
109.02896	16.6
109.10164	23.1
111.02053	1.4
111.08075	5.7
111.11732	10.1
113.09627	1.8
113.34245	1.5
115.03954	2.1
117.05470	1.8
117.06976	1.7
119.08573	10.7
121.10157	21.7
123.08046	1.9
123.11740	9.9
124.13627	1.3
125.09624	2.7
125.13269	2.6
127.03931	25.6
129.05461	2.3
131.08554	1.6
133.10133	12.9
135.11710	21.0
137.09645	3.0
137.13225	5.9
139.11163	6.6
143.10690	1.5
145.04977	10.3
147.11707	12.5
149.13240	6.2
151.11171	3.9
151.14824	6.1
153.12726	5.8
157.12202	2.2
159.06572	2.3
161.13277	8.5
165.12752	5.8
169.12192	1.7
171.13774	2.7
174.11328	1.7
175.14859	4.1
179.14342	3.5
183.06516	3.2
183.13780	1.6
189.16389	2.1
193.19513	3.6
201.07579	6.9
215.53229	1.3
217.19545	24.3
219.08447	1.8
235.20576	36.3
253.21642	21.9
255.83357	1.4
271.22681	5.2
287.36182	1.5
291.23175	5.4
309.24313	15.9
327.25305	88.4
343.22510	2.4
345.26346	53.6
354.13226	1.6
435.27026	2.6
453.28302	3.1
471.29718	7.2
507.31711	19.6
515.03607	1.5
525.00140	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	507.2721
Annotation	Amoritin
Peak:m/z	Relative Intensity
53.03942	2.9
55.05508	10.8
57.03439	6.6
57.07073	3.6
65.03956	1.3
66.73421	1.2
67.05508	40.9
69.07071	11.7
69.29077	1.9
69.29480	9.9
79.05067	2.1
79.05494	27.8
81.03414	1.8
81.07059	36.1
83.04989	1.8
83.08611	5.8
91.05482	15.5
93.06489	2.0
93.07052	32.3
95.04945	2.3
95.08061	2.1
95.08614	28.9
97.06525	2.7
97.10148	3.3
97.51062	1.3
98.98473	43.1
105.07027	12.9
107.08607	16.4
109.06519	1.4
109.10145	13.9
109.79021	1.6
117.07000	4.1
119.08584	8.6
121.10157	13.8
123.11703	3.7
127.03948	1.8
131.08548	7.4
133.10120	9.7
135.11700	8.4
139.11020	1.4
142.04340	1.2
145.10112	4.3
147.11667	5.5
149.13257	4.8
155.01053	16.2
159.11665	3.1
161.13269	4.2
163.14777	3.2
173.02144	5.4
173.13295	3.1
175.14832	2.0
187.14784	1.8
213.78441	1.4
229.04651	3.5
229.14388	1.6
243.21059	5.5
247.05963	3.3
261.22229	12.3
267.64346	1.4
292.20367	1.3
317.24667	7.0
335.25800	100.0
471.24808	4.4
507.34219	2.7
507.41037	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01869	0.8
55.05518	9.0
57.03431	3.1
57.07058	1.7
67.05509	12.8
69.07070	11.6
71.04987	1.4
71.08636	0.5
71.13947	0.5
71.53803	0.6
77.43554	0.5
79.05495	7.3
81.03413	1.8
81.07061	15.1
83.04971	1.0
83.08619	7.7
85.06542	1.5
89.03918	4.4
91.05494	5.6
93.07043	7.3
95.04963	1.6
95.08614	13.5
97.06537	1.8
97.10169	6.4
99.08080	0.9
105.07042	3.8
107.04932	1.7
107.08591	3.4
109.06505	0.6
109.10166	6.3
111.08088	1.1
111.11735	2.3
113.09638	0.7
117.03392	7.3
117.06995	0.7
119.08576	2.7
121.10153	6.0
123.08028	0.7
123.11697	2.5
125.09632	1.0
131.08551	0.9
133.10144	3.4
135.04425	14.8
135.11702	5.1
137.13274	1.0
139.11174	0.6
145.02850	13.4
147.11739	2.3
149.13268	1.5
151.11212	0.8
151.14819	0.6
153.12723	0.6
155.49371	0.5
161.13261	2.0
163.03911	100.0
165.12735	1.0
177.05516	1.0
178.07153	0.4
179.14168	0.8
180.09911	0.4
181.04968	7.4
189.16615	0.4
201.09573	0.5
209.11746	0.5
217.19525	4.3
219.06552	0.8
227.12752	1.1
235.20584	6.8
237.07588	1.1
253.21716	2.6
267.16183	0.5
268.16299	0.9
283.15347	0.9
291.23224	0.6
309.24243	4.0
325.88354	0.5
327.25305	24.1
422.26285	1.4
489.28467	1.3
507.29721	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	505.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.5
55.01877	1.8
55.05517	12.4
57.03434	1.1
57.07079	28.5
65.03944	0.8
67.05510	22.7
69.03431	1.0
69.07072	10.6
71.04991	1.6
71.08639	21.3
71.11282	0.6
71.46217	0.5
71.54382	0.6
79.05499	12.9
81.03423	61.4
81.07063	23.9
83.04982	3.1
83.08626	23.3
85.06563	1.3
85.10195	10.4
90.74138	0.6
91.05488	13.1
91.06033	0.4
93.07044	9.4
95.04982	15.0
95.08616	21.6
97.02897	1.1
97.06530	0.9
97.10169	8.5
105.07042	9.2
107.04953	3.6
107.08591	5.0
109.06532	1.7
109.10159	9.6
111.04407	0.6
111.08086	5.6
111.11716	1.1
115.05478	0.8
117.07036	1.0
119.04931	0.6
119.08585	7.9
120.86343	0.6
121.06490	2.1
121.10165	6.0
123.11731	3.5
125.09652	2.1
125.13297	1.0
128.06299	0.6
129.07013	6.9
131.08575	6.3
133.06488	1.9
133.10123	3.5
135.11693	1.5
137.13292	1.9
142.07805	2.9
145.10158	1.5
147.08047	1.7
147.11703	5.1
149.09610	3.1
149.13269	1.6
151.14754	0.6
157.10147	6.0
157.58669	0.7
159.11755	0.8
165.12706	0.8
165.16441	1.1
175.11205	6.4
189.11267	1.6
193.12250	26.0
195.09982	1.0
195.13795	0.8
218.10956	0.6
221.22583	0.9
227.12794	2.4
231.13921	0.8
239.23715	6.8
249.14900	4.2
251.12563	0.9
261.22281	0.9
445.20596	1.3
505.22540	2.6
505.39304	100.0
506.39380	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.8
53.03945	4.8
53.72308	0.8
55.01870	2.1
55.05516	12.3
57.03423	1.3
57.07080	30.7
65.03937	1.5
67.05509	25.3
67.66132	0.7
69.03421	0.9
69.07072	9.8
69.81573	1.8
69.81979	3.5
71.04966	1.3
71.08636	20.3
79.05492	12.2
81.03423	65.0
81.07060	29.3
83.04993	2.6
83.08618	20.8
85.10185	10.1
91.05486	15.1
93.07053	10.9
95.04973	16.7
95.08613	20.5
95.09066	0.6
97.02914	2.3
97.06538	1.1
97.10184	7.0
99.08085	1.0
105.07037	10.5
107.04951	5.4
107.08579	5.5
109.06512	1.8
109.10159	8.6
109.38459	0.7
111.08083	5.7
111.11744	2.2
115.05471	0.9
116.80236	1.0
117.07024	1.6
119.08593	9.3
121.06487	1.8
121.10152	4.5
123.11692	4.5
125.13306	1.3
128.06245	1.1
129.07018	7.4
131.08568	6.4
133.06503	1.8
133.10155	2.7
135.11688	1.6
137.13298	1.6
142.07811	2.2
144.95581	0.8
147.07990	1.3
147.11676	4.4
149.09644	2.7
149.13295	2.2
151.14812	0.8
157.10178	6.3
159.11792	0.9
165.12729	1.4
175.11192	6.2
193.12253	21.9
208.20627	0.8
221.22713	1.0
237.22246	1.3
239.23651	6.0
249.14908	3.7
279.36884	0.9
445.20425	2.4
446.20959	1.8
446.62292	0.8
505.22665	7.9
505.38919	100.0
506.39334	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3528
Annotation	Sericic acid
Peak:m/z	Relative Intensity
53.03938	7.7
55.01876	20.8
55.05513	42.4
56.90502	3.4
57.03436	7.7
57.07055	6.4
65.03922	6.1
67.05511	100.0
67.05869	3.4
68.05802	6.3
69.07072	42.5
69.20541	35.8
70.04918	3.6
71.04980	5.0
78.19209	3.8
79.05500	62.6
81.03398	6.4
81.07061	80.9
83.04958	7.8
83.08619	27.1
84.11704	3.5
85.06548	6.3
91.05492	69.9
93.07050	78.7
95.04962	12.5
95.08611	53.4
97.06512	26.2
97.10153	15.7
105.07032	61.3
107.04983	8.0
107.08598	49.3
109.06531	9.5
109.10158	30.1
111.04433	12.7
111.08097	9.0
116.37537	4.6
117.07032	26.0
119.08578	46.8
121.06490	8.8
121.10142	32.7
123.11673	7.5
125.09623	9.6
128.06195	4.0
129.06136	3.6
129.07001	17.3
131.08588	38.2
133.06473	8.9
133.10159	39.1
135.08029	7.9
135.11676	14.9
137.09647	6.5
141.06958	5.3
143.08588	23.3
145.10153	26.5
147.08044	4.7
147.11710	24.4
149.09616	11.9
149.13271	10.6
151.11217	4.1
153.09123	10.5
155.08559	10.4
157.10139	18.2
159.11705	28.6
161.09624	6.5
161.13210	11.8
163.11153	8.3
169.10167	9.5
171.11670	11.7
173.11812	6.6
173.13295	10.4
177.12791	5.9
179.14314	5.5
179.27992	3.8
181.10109	5.1
183.11725	10.1
185.13223	13.4
187.14861	4.0
189.11230	4.3
195.13757	5.8
197.13280	9.4
199.14871	7.0
209.13214	4.0
213.16350	5.2
229.14262	9.1
235.16942	8.4
257.19058	6.6
259.20538	11.4
264.35712	3.8
275.17380	4.1
275.20120	50.9
277.21674	6.8
293.21008	12.7
299.23541	4.2
300.78159	3.7
301.21616	5.5
315.23044	6.2
327.23190	5.1
333.24081	8.9
339.22983	4.7
355.26407	6.7
357.24237	4.9
375.25354	19.4
389.26849	6.0
433.30981	15.3
441.33942	4.0
451.32037	29.6
469.33063	45.1
487.34183	42.7
505.35114	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01863	3.1
55.05510	15.1
57.03439	10.6
57.07063	3.1
59.04993	5.1
65.03932	3.3
67.05509	100.0
69.07070	8.2
69.83102	1.0
71.04975	4.1
71.66888	1.3
79.05496	27.2
81.06594	1.9
81.07061	34.8
83.04985	1.4
83.08630	11.3
85.06550	5.4
91.05486	33.3
93.07050	31.7
95.04987	3.2
95.08611	18.7
97.06534	2.7
97.10173	2.0
99.08091	2.5
102.32645	1.0
103.03928	1.2
105.04504	1.3
105.07040	31.1
107.04992	1.7
107.08611	18.3
107.64877	1.3
109.06509	1.5
109.10162	80.9
111.08073	4.3
117.07019	7.6
119.08588	35.5
119.09200	0.6
121.10152	11.6
123.11709	1.4
125.09639	2.6
129.07031	5.5
131.08580	12.7
133.10136	23.6
135.11716	11.3
137.09607	2.7
143.08556	4.6
145.10143	11.7
147.08121	1.3
147.11699	24.5
147.79359	1.1
149.13234	6.5
155.10651	6.4
157.10170	6.0
159.11687	11.5
161.13252	19.3
163.11214	2.3
163.14825	3.9
171.11708	8.8
173.11736	23.1
173.13280	6.2
175.14827	8.7
183.18657	1.1
185.13240	5.6
187.14841	3.2
189.11258	2.4
199.14865	5.0
205.79939	1.2
213.16425	1.3
215.17932	1.9
227.12827	6.9
229.14365	67.1
231.21057	5.0
241.19550	20.9
259.20596	49.4
259.23373	1.6
261.22153	2.2
277.21606	1.5
315.23172	5.2
319.01935	1.2
333.24252	37.5
333.28226	1.9
382.48633	1.4
395.29126	2.0
431.31802	1.6
431.72171	1.1
487.34351	14.6
505.35233	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	505.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
55.01870	2.5
55.05277	1.0
55.05518	16.6
56.26279	0.8
57.03436	5.3
57.07079	38.1
59.04987	1.3
65.03944	3.0
67.05509	74.8
69.03423	1.5
69.04980	0.9
69.07074	13.4
71.04982	2.5
71.08633	30.6
71.53436	1.0
76.86678	0.8
79.05500	28.0
81.03424	75.8
81.07062	42.3
83.04998	3.8
83.08625	28.9
83.09124	1.6
85.06535	2.3
85.10185	14.7
91.04908	1.2
91.05485	30.3
93.07047	25.0
95.04971	22.2
95.08611	34.2
97.02882	1.7
97.06526	2.4
97.10158	7.1
99.08094	3.2
103.05431	1.4
105.04480	0.9
105.07037	21.5
107.04948	5.8
107.08601	10.8
109.06510	3.8
109.07254	0.9
109.10166	38.9
111.04423	1.3
111.08093	8.4
111.11778	1.2
117.07051	5.2
119.08588	20.4
121.06542	2.1
121.10155	9.9
123.04422	1.6
123.08052	1.4
123.11706	6.3
125.09627	2.1
125.13229	1.0
128.06224	1.0
129.07004	10.4
131.08566	10.6
133.06497	3.4
133.10139	12.7
135.08046	1.3
135.11700	7.6
136.49788	0.8
137.09624	4.0
137.13306	2.6
142.07813	2.6
143.08614	2.3
145.10126	3.7
147.08054	2.7
147.11710	13.0
149.09613	4.0
149.13261	4.0
151.11192	2.2
151.14893	1.0
155.10696	2.0
157.10158	9.5
159.11702	4.6
161.09753	1.0
161.13286	7.3
163.11211	1.5
163.14841	1.0
165.12744	0.9
171.11676	2.7
173.11754	6.0
173.13297	2.0
175.11208	8.9
175.14804	2.9
177.12706	0.9
179.14294	13.5
180.41161	0.8
185.13274	2.7
187.14851	0.9
193.12250	47.9
199.14899	1.5
211.13283	2.6
213.16370	1.2
217.00154	0.8
217.19586	0.8
221.22592	1.0
227.12825	1.7
229.14384	15.1
231.21115	1.3
239.23677	8.9
241.19527	7.7
249.14774	5.3
259.20590	15.2
277.21613	12.4
295.22659	1.5
315.23306	0.9
333.24240	9.2
411.77911	0.9
459.43408	0.8
487.34268	4.7
505.39334	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
55.05505	9.8
57.03421	2.5
57.07070	3.9
59.05006	2.0
65.03934	2.4
67.05502	17.1
69.03414	6.4
69.07068	43.2
69.96969	7.6
70.06602	2.5
71.04980	5.7
71.08621	2.0
73.02887	1.9
75.28367	1.6
75.76124	1.6
79.05498	17.3
81.03400	3.4
81.07059	100.0
82.07372	1.5
83.04975	7.4
83.08624	8.5
85.02907	10.8
85.06541	9.0
91.05480	9.0
93.07046	24.5
95.04942	3.9
95.08611	50.7
96.08944	2.0
97.02881	3.3
97.06515	10.4
97.10178	4.0
99.04450	2.4
99.08115	7.5
105.07037	13.7
107.08595	21.1
109.02885	1.9
109.06492	3.3
109.10164	25.7
111.08105	8.4
111.11720	8.8
113.09561	1.5
119.08582	11.6
121.06490	2.2
121.10155	17.7
123.08085	1.9
123.11707	24.5
127.03923	2.4
127.07562	1.7
127.11174	6.5
131.08565	3.4
133.10152	10.6
135.11703	19.6
137.02359	2.7
137.05980	4.3
137.09596	4.0
137.13266	26.6
139.11156	5.7
143.10660	1.8
143.30937	1.7
145.04874	2.2
145.10100	4.0
147.11681	8.6
149.13281	7.6
151.11205	3.4
151.14851	1.5
153.12747	21.5
155.14311	13.8
159.11699	6.2
161.13229	3.9
163.11165	2.6
163.14838	3.5
165.12778	6.7
171.13791	3.5
173.13206	2.2
175.14813	3.5
178.47365	1.5
181.12135	1.8
183.13815	1.7
196.17552	1.6
203.17941	4.8
211.16896	1.9
215.17999	3.9
221.18993	2.5
229.19550	1.9
237.18631	2.1
239.20023	4.8
244.15448	5.1
245.15697	3.0
245.64890	1.6
257.08032	3.2
271.24179	5.3
277.25290	3.9
289.25339	9.6
295.26257	7.0
307.26291	43.3
313.27405	1.9
325.27451	9.9
343.23135	2.0
343.28400	7.4
446.31168	1.9
479.17499	1.7
505.19580	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
54.14941	2.1
55.05513	15.9
57.03442	9.0
57.07072	2.3
59.04999	5.0
62.11320	1.9
65.03956	3.5
67.05508	100.0
69.03445	1.8
69.07069	9.4
69.26041	3.9
69.26452	12.7
71.04990	3.8
79.05499	28.9
79.07939	1.8
81.03435	2.1
81.07063	34.4
83.08620	7.5
89.54925	1.7
91.05487	31.8
93.07050	34.0
95.04993	2.3
95.08614	21.4
95.50313	1.7
97.10141	2.2
99.08120	2.8
105.07037	36.0
105.07698	3.4
107.04945	2.4
107.08608	19.4
109.10160	74.0
111.08073	5.6
117.07022	8.8
119.08585	34.7
119.16664	1.7
121.10162	10.3
123.11723	2.3
129.07042	5.5
131.08629	10.8
133.10124	24.3
135.11700	10.4
137.09650	2.7
143.08566	3.2
145.10136	17.5
147.11703	23.2
149.09604	1.7
149.13246	6.4
153.09085	1.9
154.26402	1.6
155.10657	5.2
157.10127	4.1
159.11679	11.9
161.13286	20.6
169.10104	2.2
171.11722	4.4
173.11755	23.8
173.13272	8.5
175.14835	9.3
185.13251	5.3
189.11214	3.2
227.12743	6.9
229.14343	64.2
231.21172	3.5
241.19490	21.0
259.20587	51.2
261.22250	3.8
275.20154	2.2
277.21521	3.6
279.87546	1.8
315.23328	3.4
333.24252	35.6
339.42477	1.9
421.66809	1.8
487.34131	10.6
505.35452	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	505.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	2.0
53.03951	9.6
55.01865	5.4
55.05515	30.2
57.03445	10.3
58.82462	1.7
65.03941	4.4
67.05507	74.1
69.07065	16.9
70.16262	4.7
71.05003	4.6
71.08610	1.8
79.05497	96.9
81.03429	14.8
81.07061	52.2
83.04991	15.4
83.08620	9.7
85.02905	3.5
85.06560	3.6
91.05486	82.1
93.07048	100.0
95.04977	24.7
95.08615	37.7
97.06559	7.4
97.10171	6.7
98.21446	2.5
101.05984	2.4
105.04487	5.3
105.07036	59.2
107.04959	6.3
107.08596	23.9
109.06517	8.9
109.10174	9.5
111.08136	2.4
112.95666	2.1
115.05454	2.6
117.07028	17.0
119.07772	4.0
119.08576	31.1
121.06482	6.5
121.10146	8.3
123.08067	8.1
128.06192	4.1
129.07008	24.1
131.08559	5.0
133.10155	15.5
135.11668	3.4
143.08565	14.8
145.10127	15.3
147.08020	2.6
147.11696	57.8
159.11719	4.0
161.09642	6.9
161.13275	20.1
163.11218	5.2
171.11702	46.6
179.14299	2.7
189.12756	22.6
207.13808	57.6
225.14775	9.1
229.14378	5.2
259.20636	3.3
263.16458	3.0
281.17493	96.4
312.64105	2.1
487.30560	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	505.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76892	2.1
53.03939	2.5
55.01872	5.3
55.05515	15.7
57.03439	5.3
57.07073	7.5
59.05028	3.8
61.02926	4.4
65.03931	2.8
66.81900	1.9
67.05510	32.3
69.03431	13.3
69.07072	36.4
70.21368	7.8
70.92334	2.0
71.04990	6.9
73.02947	2.0
75.33971	2.0
76.20090	1.7
79.05493	14.8
79.33708	1.8
81.03421	7.7
81.07063	100.0
83.04977	4.4
83.08601	7.6
85.02908	36.2
85.06550	31.9
87.37186	1.8
89.06021	2.1
91.05495	9.7
93.07053	33.8
95.04984	2.4
95.08615	91.3
97.02876	10.8
97.06542	7.8
97.10175	5.2
99.04488	2.2
99.08099	6.4
105.07030	22.2
107.08606	38.4
109.02885	4.5
109.06529	6.6
109.10158	36.9
110.10486	2.2
111.08094	35.3
111.11715	8.5
116.91659	2.0
119.08598	21.1
121.10152	31.1
122.96941	1.9
123.08094	4.5
123.11722	39.3
125.09635	10.1
127.03920	5.5
127.07549	2.3
127.11214	1.8
131.08572	4.0
133.10178	12.4
135.11713	16.4
137.06062	2.3
137.13271	7.2
139.11176	13.1
141.67625	1.9
145.04980	4.8
145.10143	4.6
147.11697	22.9
149.13269	14.1
151.11212	7.1
151.14867	2.2
153.12709	6.2
159.11694	8.4
161.13243	9.7
163.14839	10.1
165.12778	8.5
167.14334	3.6
169.12331	3.1
173.13280	4.6
175.14815	5.8
177.12721	2.3
177.16414	5.0
179.14328	2.7
187.14873	2.7
189.16399	6.0
201.16402	4.5
209.19098	2.1
212.16789	2.0
215.17978	4.2
225.18452	4.6
237.22162	2.0
239.20026	4.5
263.23700	5.4
271.24228	5.3
277.25229	5.3
289.25262	30.0
295.26334	25.8
307.26331	89.5
325.27405	81.7
329.13376	2.4
401.14301	2.0
414.61362	2.0
469.32056	4.7
505.16183	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	503.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	1.6
59.05008	0.8
67.04176	0.6
69.07079	0.8
69.18584	0.7
71.53222	1.0
72.04512	3.7
73.02908	1.4
79.05484	1.1
85.02899	2.1
85.06541	1.5
86.00730	0.6
86.09704	1.0
90.05560	29.9
94.76105	0.6
95.04958	2.5
98.02413	2.7
98.97583	0.9
103.05450	0.9
103.07577	2.3
105.07037	49.8
106.07346	0.8
113.06002	0.9
116.03466	4.5
119.04932	0.9
122.09677	17.6
123.10031	0.8
124.07610	4.8
136.34239	0.6
137.05956	0.7
142.08650	2.4
147.04405	2.3
160.09637	1.0
166.08630	0.9
174.11296	1.0
184.09697	7.9
202.09067	0.4
202.10756	13.0
207.07726	0.9
220.11816	100.0
221.12033	0.8
234.95100	0.7
299.06253	0.8
317.15588	0.6
323.08768	0.7
341.13660	1.1
382.17065	0.6
514.46106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	4.3
55.01873	1.6
55.05517	29.4
56.91064	0.6
57.03432	2.1
57.06836	0.8
57.07084	11.7
65.03928	0.8
67.05511	10.4
69.03433	1.5
69.07073	32.9
69.22639	6.6
71.04983	1.0
71.08639	8.0
79.05495	9.2
81.03425	72.4
81.07063	6.9
83.04980	2.7
83.08626	37.7
85.10183	3.7
91.05486	14.2
93.07050	6.6
95.04980	18.9
95.08616	3.9
97.02899	1.2
97.10180	22.5
105.07040	10.7
107.04981	4.9
107.08610	1.8
109.06536	1.8
109.10171	1.8
111.04464	1.5
111.08113	6.0
111.11728	7.6
115.05465	1.3
117.07013	1.3
119.05005	0.8
119.08593	8.5
121.06506	1.6
121.10178	3.4
125.13282	2.5
129.07008	7.5
131.08577	6.8
133.06477	2.6
133.10143	2.9
137.09644	1.5
142.07788	2.7
145.10159	0.8
147.08127	3.2
147.11703	4.7
149.09647	2.1
157.10136	8.5
175.11194	7.0
193.12260	31.1
228.10373	0.7
229.79672	0.7
231.13791	1.0
237.22215	2.2
249.14902	7.2
377.38464	0.7
503.37372	100.0
504.37427	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	503.2473
Annotation	Gln Asn Leu Glu
Peak:m/z	Relative Intensity
53.03953	0.3
55.01866	0.5
55.05512	0.7
55.60680	0.3
67.05515	0.6
69.03436	1.5
69.07074	1.0
69.86169	1.5
71.05003	0.6
73.02936	0.5
79.05503	0.8
81.03422	1.3
81.07063	2.4
83.05004	0.7
83.08608	0.4
85.02910	4.1
85.06532	0.5
88.16977	0.3
91.05460	0.8
93.07050	1.4
95.08627	1.2
97.02901	1.6
97.06510	0.5
98.21503	0.4
99.04459	1.8
99.08157	0.4
103.03954	3.9
105.07063	1.3
107.04998	0.3
107.08596	1.4
109.02894	0.9
109.06544	0.5
109.10178	1.2
111.08124	0.9
116.10758	0.5
116.21672	0.4
116.98724	0.4
119.08578	0.7
121.10183	1.4
123.11732	0.8
127.03931	4.9
131.08568	0.6
133.10143	0.7
137.06012	1.2
138.41002	0.4
145.04996	2.4
145.10168	0.5
150.75826	0.4
153.12807	0.6
159.11717	0.5
161.13367	0.4
163.06067	1.2
171.28468	0.4
190.37195	0.4
197.15392	0.6
201.16476	0.7
203.05241	0.7
219.17430	0.5
226.14388	0.4
229.79436	0.5
230.49844	0.4
237.18509	0.5
244.15431	1.7
253.11206	0.5
255.06599	0.4
259.07889	0.6
285.07721	0.7
305.24777	0.8
307.10211	0.4
323.25861	0.8
341.10202	0.4
341.19437	1.7
357.45099	0.4
399.16037	0.3
449.14737	0.5
459.22174	1.4
471.22086	1.2
503.24741	100.0
504.25201	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16266	0.7
52.48678	0.7
53.03931	1.1
55.01865	1.5
57.03428	2.1
61.02922	2.7
67.05506	1.4
69.03081	0.8
69.03437	9.6
69.07074	1.7
70.06602	1.8
70.69318	1.5
70.69662	0.8
71.04983	2.2
72.26822	0.7
73.02923	1.3
79.05501	2.0
81.03410	3.0
81.07050	5.3
83.04984	0.8
85.02435	1.2
85.02914	20.9
85.06553	1.2
86.09713	1.0
91.05465	4.2
93.07057	3.1
94.03659	0.8
94.04179	4.0
95.04970	1.1
95.08605	1.8
97.02908	5.5
97.10142	1.0
99.04459	1.9
99.08112	0.9
100.30073	0.7
103.05457	2.9
105.07032	6.2
107.04952	1.8
107.08593	2.1
109.02885	2.3
109.06504	3.2
109.10152	3.1
111.08105	1.7
115.05471	2.7
117.07023	1.9
119.08595	3.4
121.10165	1.7
122.03651	7.1
125.09589	0.8
127.03947	3.8
128.06207	1.6
129.07037	1.7
131.04930	6.3
131.08580	0.7
132.05716	2.2
133.06496	4.0
133.10133	1.4
137.05984	100.0
141.07074	1.3
144.05725	0.9
145.04970	2.7
145.06526	0.8
146.03741	0.9
147.04382	0.8
147.08069	3.4
147.11679	1.3
149.06044	1.0
151.07582	1.4
156.05765	1.5
158.61861	0.8
159.08081	1.4
160.05237	1.9
161.06010	12.0
161.13159	1.0
163.07558	8.8
163.11259	0.8
167.07028	1.0
168.05785	1.0
169.06467	1.0
171.08038	2.0
171.11671	0.8
173.13327	1.0
175.07558	40.6
179.06949	1.0
184.05273	2.2
187.07552	5.4
189.09129	0.8
190.07809	1.4
191.08592	4.7
199.07538	14.0
201.03781	0.8
201.09024	1.4
202.07726	3.5
203.08560	8.5
205.10155	0.9
213.18501	0.9
215.08589	0.9
218.07339	1.2
219.08096	7.0
220.08818	1.8
231.08086	7.9
232.08839	2.1
236.08354	1.5
237.18684	1.0
247.07619	3.5
248.08383	4.5
249.09138	1.4
251.10677	9.2
259.07568	7.4
260.08325	2.0
263.10782	4.2
264.07751	1.7
276.07816	1.3
277.08557	3.5
278.83969	0.7
279.10068	8.0
280.10849	1.3
287.23883	1.3
291.10178	10.2
292.10852	4.3
293.08133	1.4
295.13367	2.0
305.24835	1.7
308.10565	2.3
311.12778	24.5
323.12775	20.2
323.25827	2.2
325.14407	2.6
331.09952	1.4
366.35083	0.8
407.22000	0.9
484.27472	0.8
503.21008	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	502.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	9.3
55.60052	1.1
57.03442	11.3
57.06833	1.9
57.07082	25.9
59.04988	3.7
60.79494	1.1
63.45215	1.1
67.05511	69.9
69.07063	4.2
69.68441	2.6
69.68850	5.4
71.04991	1.8
71.08285	1.6
71.08638	19.1
71.09206	1.4
79.05465	1.3
81.07066	17.3
83.08633	11.6
85.06533	2.2
85.10188	9.6
86.70492	1.2
89.05996	2.4
91.05472	4.4
91.82249	1.2
93.07052	1.9
95.08624	14.2
97.10174	2.6
107.08569	1.7
109.10165	60.0
111.08102	2.1
119.08583	3.9
123.11734	2.6
137.09639	2.2
137.13252	1.3
141.87794	1.2
155.10657	5.0
173.11739	19.5
186.52362	1.2
229.14374	100.0
239.23714	2.2
257.24808	1.9
313.27383	92.5
334.70978	1.6
411.13885	1.4
432.16370	1.2
467.37396	63.5
495.67575	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01871	2.0
55.05506	2.1
57.03437	2.0
57.07061	0.8
60.07917	0.7
61.02925	0.8
62.40310	0.8
67.05523	4.1
67.28078	0.7
67.52261	0.7
69.03439	5.6
69.07068	2.9
71.04987	2.2
71.53944	1.0
71.84110	0.8
79.05494	4.8
81.03413	2.4
81.07066	14.8
83.04967	1.5
83.08625	1.7
85.02909	10.7
85.06552	7.1
86.09739	0.7
91.05496	6.2
93.07044	11.4
94.04185	2.7
95.04979	2.8
95.08614	5.0
97.02895	4.0
97.06555	1.5
97.10175	0.8
99.04457	2.7
99.08105	2.9
102.14542	0.8
103.03925	1.8
103.05486	1.2
105.07053	6.7
107.04980	1.6
107.08612	6.7
109.02874	2.1
109.06529	3.1
109.10181	5.3
111.08079	4.3
115.05478	3.7
116.07048	0.7
116.19926	1.0
116.24850	0.7
117.07053	1.7
119.04967	1.4
119.08595	5.0
121.06542	0.8
121.10160	4.6
122.03661	6.7
123.04461	1.3
123.08064	1.4
123.11714	5.2
125.09641	1.6
127.03909	3.6
128.06245	1.8
129.07008	2.0
129.09102	2.5
131.04922	2.4
131.08614	1.2
132.05724	2.0
133.06508	4.2
133.10132	3.7
135.11723	2.5
137.05988	100.0
137.13261	1.0
139.11176	2.5
144.05669	0.7
145.04976	3.4
145.06509	0.9
145.10147	1.4
147.04395	1.7
147.08060	2.2
147.11703	2.1
149.05977	1.7
149.09612	1.0
149.13315	0.9
151.03899	1.0
151.07582	0.9
151.11143	0.8
155.04903	1.0
159.08035	2.1
159.11717	1.0
160.05267	1.3
161.06000	13.2
161.13283	1.1
163.07532	1.1
167.06976	1.0
171.13818	0.9
175.06053	1.5
175.07561	26.1
177.09135	0.7
177.16486	1.6
179.07169	1.4
184.05280	0.9
187.07549	8.4
189.09108	1.1
190.07829	2.5
191.08556	6.5
195.13774	0.8
195.17403	0.8
197.11772	2.7
199.07607	6.4
202.07829	2.4
203.08586	4.2
207.08080	1.0
208.08694	0.9
213.18506	8.3
218.07309	1.7
219.08124	10.2
219.10191	1.4
220.08821	2.4
227.08583	0.9
231.08072	4.6
232.08916	1.4
235.07611	1.3
236.08383	2.2
237.18503	1.0
245.10001	0.8
247.07570	4.8
248.08409	3.8
251.10718	17.7
258.06686	0.8
259.07578	2.8
260.08383	1.4
261.09085	1.2
263.10651	3.7
264.07803	1.0
276.07788	2.1
277.08676	1.6
279.10184	12.1
281.08115	1.3
287.23874	1.8
291.10242	8.6
292.11002	1.7
293.24612	1.1
305.24783	5.4
308.10373	1.0
311.12808	29.8
323.12805	13.8
323.25818	5.5
341.13928	2.2
341.27023	0.9
485.20004	0.9
503.18936	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	500.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23900	0.8
55.05514	23.8
57.03192	1.3
57.03444	13.9
57.07076	11.9
59.05006	5.4
59.05262	0.8
65.03935	1.3
67.05509	80.2
69.07072	25.2
69.46131	6.0
71.04987	3.8
71.08640	5.9
79.05481	2.6
81.07056	13.1
83.08618	28.1
85.06548	3.7
85.10177	1.4
91.05499	5.3
91.19553	0.9
93.07042	5.4
95.08622	7.9
97.06509	1.4
97.10172	16.7
98.21476	1.3
107.08575	2.7
109.10162	81.1
111.08069	4.8
111.11716	3.9
119.08591	5.9
121.10164	3.7
125.13268	1.4
135.11676	1.8
137.09624	4.4
155.10712	6.4
162.32661	0.8
173.11743	22.4
202.68021	0.9
229.14360	100.0
247.89798	0.8
283.26291	1.1
311.25815	83.0
312.26227	1.0
320.94611	0.9
329.03589	1.0
465.35785	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	502.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.7
55.01873	7.6
55.05517	64.8
57.03432	9.8
57.07074	5.8
59.05008	5.5
65.03922	3.3
67.05509	100.0
69.03436	7.2
69.07079	22.4
71.04993	7.4
73.02910	5.1
79.05502	33.8
81.03416	15.0
81.07060	65.5
83.04993	13.3
83.08622	39.5
85.02914	26.6
85.06544	9.5
87.04475	10.6
91.05494	34.4
93.07049	33.8
95.04977	7.6
95.08630	21.1
97.02900	7.7
97.06543	6.5
97.10178	45.4
103.03957	3.6
105.07045	11.8
107.04977	4.9
107.08609	29.2
109.06508	6.6
109.10162	58.8
111.08087	6.7
117.07019	6.7
119.08591	11.7
121.10152	8.8
122.13442	2.5
123.08117	3.6
125.08768	5.0
125.09644	68.2
127.07565	5.4
131.08549	11.4
133.10141	66.7
135.08052	4.4
135.11722	14.9
137.09608	6.2
143.10693	10.6
145.10120	8.9
147.08061	4.3
147.11658	3.4
149.09645	12.5
149.13234	21.8
153.09161	4.2
153.12767	5.3
155.08588	2.7
155.10686	13.4
157.12262	3.9
159.11688	13.0
163.11208	15.7
169.72711	2.3
171.10187	9.5
173.09596	4.5
173.10114	3.2
173.11754	60.2
177.12749	8.9
181.12289	5.3
187.13283	7.9
189.11247	7.4
191.10678	7.1
193.12288	7.1
195.12213	3.7
195.13846	40.2
199.13322	3.8
209.11794	19.4
213.14879	8.6
227.12915	11.6
227.16479	6.6
229.55238	2.6
266.74878	2.1
437.37643	2.2
480.03192	2.7
502.35410	3.9
507.66904	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	500.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01624	0.7
55.01867	4.7
55.05513	6.5
56.05026	1.1
56.31607	0.8
57.03436	1.0
58.99596	7.2
62.23433	0.8
65.03944	0.9
67.05510	24.7
69.07063	3.1
69.20219	6.0
69.20649	2.3
71.04982	0.8
72.04505	3.3
72.08188	0.8
75.91592	0.7
76.02235	21.7
78.76134	0.7
79.05497	5.9
81.07063	20.5
82.09132	0.6
83.04950	0.9
83.06084	2.0
83.08614	2.4
84.04517	11.3
85.01129	1.3
86.99059	2.5
88.02232	1.0
90.05563	19.6
91.05467	4.2
93.07056	7.2
95.04964	4.0
95.08612	32.1
98.20724	1.5
104.01714	6.7
105.07039	6.3
107.08597	2.9
109.06512	2.2
109.09467	1.5
109.10159	19.0
111.08069	1.0
113.04296	0.9
116.01679	12.9
117.06981	1.2
119.08582	9.2
121.10142	2.7
123.08084	1.7
123.11855	1.0
126.05525	1.9
129.06583	1.9
130.03223	1.4
130.04994	4.8
130.06839	1.2
133.10129	3.0
134.09631	2.1
135.11728	1.2
137.09596	2.4
139.05780	1.3
141.01822	1.3
142.03223	2.9
145.10164	0.8
147.11694	1.0
149.09650	0.9
151.14824	12.8
158.02733	45.5
161.09608	1.7
161.13264	8.7
170.02663	1.6
175.05373	6.6
176.03786	23.9
179.14323	23.6
185.13264	0.9
187.05400	2.1
193.06442	100.0
203.14313	1.4
207.85820	0.7
215.04799	1.5
233.05945	8.5
236.14694	2.9
237.12970	2.3
259.07458	1.3
312.81342	1.0
322.10623	10.7
338.90009	0.9
343.70993	1.1
353.18964	27.3
354.33603	1.0
371.19736	2.0
393.18488	1.9
411.19455	8.7
482.23233	10.5
500.24045	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	499.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.4
55.01871	8.1
55.05518	28.7
57.03442	27.8
57.07070	8.5
61.02929	57.1
67.05512	95.3
69.03427	33.7
69.06725	3.6
69.07073	40.0
71.01353	4.9
71.05000	4.8
71.08633	6.9
71.53425	5.2
73.02916	34.4
77.86369	3.4
79.05502	35.4
81.03424	24.8
81.06583	5.5
81.07063	99.2
83.04987	7.3
83.08615	22.7
85.02909	63.1
85.06548	5.8
87.04463	5.6
91.03967	34.3
91.05492	26.8
93.07047	40.9
94.07404	3.1
95.04961	6.4
95.08613	70.2
97.02896	46.0
97.06546	8.5
97.10178	14.1
99.04434	12.0
99.08114	3.2
101.02395	10.4
103.03952	9.9
105.07027	17.0
107.08617	20.5
108.08892	3.0
109.02866	9.7
109.10164	32.8
111.08090	3.8
115.03905	4.5
117.06979	4.7
119.08602	18.3
121.10133	16.8
123.11710	13.8
127.03912	20.9
129.05437	7.0
129.07004	3.5
131.08559	11.9
133.10141	14.3
135.11713	10.9
137.13260	6.6
143.08551	3.8
145.04948	10.9
145.10120	7.0
147.11696	12.3
149.13303	8.1
151.14914	4.4
151.73132	3.3
159.06671	3.2
159.11647	4.7
160.12029	3.9
161.13272	7.6
163.14856	7.1
165.12790	3.6
171.06657	3.1
171.11700	3.6
175.14870	8.0
177.16403	4.3
180.09404	3.5
181.89848	3.2
183.06599	6.2
185.13297	3.4
189.16411	5.4
201.07439	3.8
213.25772	2.9
241.14352	3.0
245.22699	12.3
263.23685	29.0
269.17477	10.5
270.17831	9.6
317.24881	4.0
337.27356	100.0
353.24994	4.2
365.26752	4.9
371.25607	6.2
407.28036	6.0
445.29318	6.1
446.29974	4.5
464.30984	31.7
476.04645	3.9
481.31424	10.1
499.32928	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	500.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.8
55.05511	9.2
57.03428	4.4
57.07062	2.0
58.99577	5.1
64.98021	2.1
67.05517	30.9
69.03426	5.6
69.07079	8.7
71.53952	2.3
76.02235	25.6
77.26913	1.4
79.05509	9.4
81.07069	24.2
81.69932	1.5
83.04964	3.1
83.06112	1.9
83.08609	3.6
84.04509	13.1
85.02909	3.9
85.06541	3.1
86.09692	2.5
86.99075	2.7
90.05141	1.8
90.05569	22.3
91.05478	8.5
93.07045	12.1
93.78049	1.8
95.04957	5.2
95.08617	47.7
97.02908	1.9
104.01678	6.0
105.07053	11.6
106.06520	1.8
107.08620	11.3
109.06525	4.2
109.10170	28.1
116.01686	15.8
119.08585	12.6
121.10118	7.0
123.08080	4.6
126.05495	3.2
127.03906	2.2
129.06639	2.3
130.05020	4.7
133.10149	4.2
134.09642	4.9
135.11653	2.9
137.09601	5.2
139.05739	1.8
142.03183	4.9
143.08585	2.3
149.09618	1.8
151.14824	17.9
154.24197	2.0
157.10075	2.9
158.02725	51.9
159.11693	3.3
161.09628	2.6
161.13361	8.2
170.02750	2.5
175.05327	5.6
176.03781	26.1
176.14284	3.3
179.14325	32.2
187.05370	2.0
193.06453	100.0
199.14830	6.6
203.14465	2.2
217.15843	4.0
233.05922	10.0
236.14680	2.1
237.13011	2.4
245.89952	2.0
322.10690	7.9
353.14777	2.9
353.18970	39.2
354.16913	2.0
371.19965	8.1
393.18311	2.6
411.19516	14.9
416.80960	1.8
482.23270	7.6
500.24063	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	499.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28328	1.0
53.03938	1.3
53.26405	0.9
54.12814	0.9
55.05500	1.5
57.95064	1.2
65.03943	3.0
69.03419	2.5
69.07066	2.5
69.58223	1.8
69.58617	6.7
70.06590	1.9
71.87242	0.9
79.05504	2.4
81.03421	1.2
81.07060	2.6
84.08158	1.4
85.02914	5.2
85.46079	1.0
87.04449	1.0
89.33989	1.0
92.05009	4.5
95.05028	1.4
95.08573	1.3
96.08131	3.8
97.02882	2.6
97.06548	2.4
106.06543	3.7
108.08125	6.3
109.02881	1.1
110.07259	1.3
122.06013	1.7
124.07645	6.5
126.05503	1.4
126.09165	7.3
127.03951	2.0
131.08704	1.2
134.06036	2.4
135.04442	3.5
135.16443	1.3
136.07578	2.7
137.06015	2.3
138.09154	4.4
139.28709	1.2
140.07098	2.8
143.21945	1.0
145.02858	2.2
147.04459	1.8
148.03947	2.7
150.05553	1.7
152.07074	32.8
158.99637	1.2
163.03906	16.1
166.05006	43.6
168.06577	4.9
170.08147	5.0
176.03419	7.7
182.04480	7.8
194.04501	5.5
198.07860	1.8
199.08540	1.6
200.10728	1.2
211.08707	1.2
212.09431	2.6
213.10374	1.4
224.46997	1.0
225.10156	1.6
227.08089	1.8
227.11765	2.4
228.10179	2.9
229.13504	1.4
233.09299	1.8
240.08957	2.2
243.11354	1.5
253.09843	3.7
255.11307	2.7
257.12753	1.2
259.07162	2.1
261.12814	1.6
270.09958	1.7
271.10883	8.4
273.08618	1.5
273.12503	2.8
283.10803	33.5
288.11099	1.8
289.11823	6.2
301.11835	31.7
319.12900	100.0
337.13794	4.1
396.17624	1.9
414.18729	2.9
481.17810	3.2
499.19479	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	499.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02316	0.8
65.03950	2.2
69.03452	0.9
70.06588	0.7
79.05485	1.0
81.03432	0.8
81.07033	1.8
85.02908	2.5
85.61762	0.7
87.49012	0.7
91.05447	1.0
92.04996	2.8
94.06548	0.8
96.08119	3.2
97.02929	1.2
109.06555	1.2
119.05019	0.7
120.04485	0.7
122.06067	1.8
124.06839	0.7
124.07594	3.7
126.09162	9.8
138.09155	2.4
147.04428	2.8
148.03923	4.1
148.04974	0.7
150.05511	0.9
150.09174	1.0
152.03502	0.8
152.07080	27.6
152.08310	1.5
164.03429	1.2
166.05008	45.5
176.03430	8.4
180.96373	0.7
182.04515	7.3
194.04501	3.5
198.07819	1.2
199.08620	1.8
200.10706	1.5
209.10773	0.7
212.09268	1.3
213.06586	0.9
213.10170	0.9
215.08141	1.3
225.10205	1.5
226.10928	0.9
227.08203	1.6
227.11844	3.6
228.10219	2.2
229.13310	1.4
233.09229	1.7
240.08971	2.8
241.05931	1.0
241.09860	1.5
242.10460	1.0
244.08643	0.8
245.09445	1.3
253.09752	3.7
255.07774	0.9
255.11299	3.8
257.09247	2.7
257.12915	0.9
259.07040	1.9
261.12341	1.1
270.10144	1.6
271.10776	9.4
272.09012	1.2
273.08908	0.7
273.12387	3.0
283.10794	42.1
288.11124	1.1
289.11884	4.9
301.11853	31.4
319.12900	100.0
337.13940	1.9
481.18100	1.8
499.21207	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	1.1
65.03936	2.4
66.03453	0.7
69.03420	1.4
69.44220	1.7
69.44623	3.8
70.06592	0.9
71.05006	1.3
81.03435	1.0
85.02914	2.8
91.05492	1.2
91.20466	0.7
92.04993	2.5
96.08144	3.6
97.02892	0.8
98.21486	1.5
106.06540	1.2
108.08099	1.6
109.10177	0.9
110.07152	0.9
122.06001	1.1
124.07613	4.7
126.09166	8.1
127.03894	1.3
137.05962	1.2
138.05412	0.9
138.09154	2.2
138.16252	0.8
140.07074	1.2
145.04982	0.9
145.07602	0.9
147.04416	1.1
148.03944	3.6
150.05511	1.8
150.09145	1.1
152.07062	24.6
163.03931	2.3
164.03397	1.3
166.05008	44.4
168.06537	1.1
176.03427	9.2
182.04445	8.4
186.11578	0.9
194.04524	4.8
198.07866	1.2
199.08615	1.0
200.10727	1.8
212.09407	2.2
225.10118	1.4
227.08183	1.9
227.11865	4.1
228.10207	2.6
229.13431	0.8
233.09175	1.8
240.08955	3.2
243.11282	0.9
245.09213	0.9
253.09723	3.2
255.07640	1.1
255.11385	4.0
257.09262	2.8
257.12817	1.5
259.07172	1.5
261.12424	1.3
270.10104	1.4
271.10785	9.7
272.09274	1.1
273.12485	1.9
283.10797	42.5
289.11801	4.3
293.08371	1.9
301.11835	30.1
319.12891	100.0
337.13782	1.7
379.08444	2.8
406.56799	0.9
481.18051	2.1
499.19455	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	499.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	3.3
57.03429	0.5
57.63409	0.4
61.02907	0.5
69.03438	3.0
70.98112	0.6
71.51915	0.6
73.02921	0.9
81.03404	1.2
82.99799	2.4
84.04463	0.4
84.08134	0.4
84.96043	1.6
85.02908	7.9
86.03231	0.4
89.00922	0.4
91.05482	1.1
94.99850	1.0
97.02883	3.4
98.97584	8.4
99.04459	0.7
101.00880	13.9
103.02465	0.7
109.02876	1.3
110.97567	3.2
112.99162	0.4
113.00838	4.0
115.02414	0.6
116.98631	3.5
119.01925	17.0
119.04954	1.7
121.03457	0.6
127.02427	12.9
127.03892	5.0
128.01419	0.6
128.04219	0.6
128.98631	3.0
129.00334	0.7
129.03966	1.1
130.08685	0.5
131.00194	0.9
131.01900	9.0
133.03445	1.4
134.99629	0.6
137.02956	1.1
139.02391	3.0
140.98581	1.0
141.04018	0.9
143.00151	2.0
143.01904	26.0
145.03474	40.5
145.04834	1.3
146.03580	0.9
146.99672	1.4
147.01370	1.0
147.04359	5.9
149.02982	0.9
152.98576	0.5
153.03967	0.8
155.01901	22.7
156.98058	2.1
157.01620	0.8
157.03481	13.3
158.99701	2.7
159.05025	3.3
161.01518	1.0
161.02969	18.7
163.02655	0.7
163.04593	3.1
167.01898	12.3
168.05101	0.9
169.03465	5.5
170.99651	2.0
171.01405	2.0
171.05045	5.6
173.02965	31.6
174.03058	0.6
174.99159	8.5
175.02887	0.5
175.04588	3.5
177.00731	1.8
177.02307	0.8
177.05545	0.9
179.01869	6.4
181.01831	0.8
181.03470	1.3
182.99641	1.9
183.01215	0.6
183.05032	1.4
184.04625	0.9
185.02965	44.3
186.03137	1.6
187.02896	0.9
187.04506	5.7
189.00720	2.2
189.02454	1.5
189.06068	2.0
191.02325	0.8
191.04019	17.2
193.00238	4.6
196.04643	1.0
197.02957	15.8
199.00909	0.8
199.04564	3.5
201.00777	5.7
201.02464	0.7
201.06042	1.2
203.04022	16.6
204.04041	0.6
205.05563	1.0
208.04604	1.0
209.02951	3.1
209.04919	0.9
211.04546	1.0
213.00845	0.6
213.06186	0.8
214.05663	1.0
215.02074	0.8
215.04004	9.3
216.05209	0.7
217.00154	2.8
217.02031	13.5
217.05594	13.1
219.01775	5.4
219.03653	0.6
221.03067	0.8
221.05029	3.9
224.04695	0.5
227.03999	9.2
229.01935	2.1
229.05566	5.2
231.07239	0.7
233.05043	2.5
235.01033	0.9
235.03258	2.6
235.06633	5.1
237.02850	2.1
239.03992	2.1
241.05632	1.1
243.01697	2.2
245.05081	100.0
246.02779	0.4
246.05112	2.3
246.56757	0.5
247.02821	2.3
247.06754	7.5
251.04326	1.5
253.07866	0.9
257.05081	8.7
259.06570	1.4
261.02847	6.4
261.05777	1.4
263.00714	0.6
263.06158	11.2
265.07727	1.7
269.05508	4.5
271.06491	0.6
273.02829	0.6
273.08090	1.4
273.58203	0.5
275.06140	19.2
277.04071	4.2
277.07651	9.2
279.03922	1.8
284.06766	0.9
286.07666	0.8
287.06308	1.1
289.07730	1.0
291.03870	0.8
293.07388	5.6
295.08673	1.5
301.04031	2.4
301.07483	1.0
305.01855	0.6
305.07187	11.8
307.08685	2.0
311.06165	2.4
317.07239	0.6
319.04910	4.9
319.08679	3.9
321.05048	3.3
329.07288	0.7
333.04883	0.7
335.08258	6.3
337.05841	6.4
337.09821	6.8
345.04489	0.5
347.02747	0.5
351.05878	1.3
365.04575	1.0
365.09277	20.3
366.09439	0.7
379.05582	0.5
381.07153	2.2
397.06238	1.0
425.11475	0.5
439.12759	0.6
455.12469	6.0
481.08701	1.9
492.12482	0.5
499.09705	6.2
499.14957	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	499.115
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22332	2.1
56.96567	22.8
64.73350	2.3
69.03423	8.2
70.98127	2.9
73.02925	2.9
81.03421	3.0
84.96022	7.7
85.02913	13.8
91.05459	4.0
97.02896	7.5
98.97590	55.7
100.73178	1.9
100.99148	7.0
101.00890	20.0
103.02480	2.5
109.02859	2.5
110.97584	19.1
112.99149	6.1
113.00866	5.4
116.98640	17.1
119.01929	25.2
119.05000	4.4
121.01612	2.9
124.99156	2.6
127.02438	17.2
127.03931	7.1
128.98637	15.6
131.00191	10.3
131.01891	12.4
133.03462	4.4
134.99619	3.0
139.00763	3.5
139.02469	4.8
140.98593	5.3
143.00201	14.6
143.01909	29.7
145.01752	4.8
145.03487	41.1
145.04785	4.4
146.99594	4.9
147.04372	12.6
149.01218	8.1
152.98605	3.5
155.01907	27.8
156.98148	6.6
157.01733	2.7
157.03464	16.9
157.98912	2.1
158.99614	13.4
159.05029	4.6
161.01241	7.4
161.02969	23.4
163.02786	7.4
163.04549	6.6
167.01947	13.5
169.03516	5.6
170.99638	13.8
171.01279	4.3
171.05045	5.0
173.01443	5.4
173.02962	47.4
174.99185	14.9
175.04556	4.5
177.00691	7.2
179.01979	7.2
181.03622	3.4
182.99654	7.7
185.02974	42.2
187.04532	9.0
189.00700	11.7
189.02325	4.8
191.02301	4.5
191.03984	10.2
191.05598	2.8
193.00250	7.5
197.02977	19.8
199.00851	3.2
199.04607	4.9
201.00745	21.7
203.04041	17.4
205.05585	5.6
207.01645	2.4
209.03174	3.4
211.04657	3.2
215.04013	8.9
217.00175	5.9
217.02011	31.1
217.05583	16.3
219.01744	26.5
221.05128	9.6
227.04089	13.1
229.01920	3.9
229.05652	3.6
231.01868	2.8
231.07086	3.2
235.03088	5.4
235.06679	4.6
237.02852	21.8
239.04161	3.1
241.05626	4.0
243.01717	7.4
245.05092	100.0
247.02986	6.4
247.06731	7.1
251.04248	11.2
257.04974	11.1
261.02911	22.4
263.06210	12.2
269.05450	20.4
273.02881	2.5
275.06137	16.0
277.04016	9.0
277.07700	7.9
279.03922	10.5
287.06198	2.7
291.03964	3.9
293.05267	13.0
301.04242	5.4
305.07333	10.9
307.08667	12.3
311.06564	13.3
319.04886	11.3
319.08524	3.8
321.01593	2.9
321.04828	15.5
325.08078	3.7
335.08151	5.6
337.06189	16.7
337.09619	2.6
347.02826	5.4
351.06052	6.7
353.07443	3.0
365.03925	11.6
365.09216	21.7
379.05594	3.6
381.06854	5.7
395.09296	2.6
397.06561	7.9
400.56058	2.7
455.12115	3.4
481.09439	10.2
499.10281	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67395	0.7
52.24544	0.7
53.03954	1.7
55.01860	1.3
55.05521	7.8
57.03440	6.6
57.05929	0.7
57.07080	0.8
57.28622	0.7
60.46972	0.7
65.03939	1.3
66.64278	0.6
67.05512	31.1
69.07079	10.4
70.65427	2.0
71.04979	2.3
79.05065	1.4
79.05498	19.3
81.03403	2.1
81.07063	44.2
82.41536	0.7
83.04971	2.9
83.08633	9.3
84.44009	0.7
85.06546	3.3
91.05483	14.6
93.07050	31.7
93.07642	1.6
95.04954	2.2
95.08614	12.9
97.06528	5.7
97.10194	1.2
99.08088	1.4
99.94476	0.8
105.04497	0.9
105.07033	9.6
107.04956	1.0
107.08612	14.9
109.06490	1.6
109.10183	4.9
111.08110	3.9
117.07011	7.4
119.08573	3.9
121.06552	1.1
121.10149	9.4
123.11687	2.3
129.07011	1.8
131.08577	8.8
133.10136	10.1
135.08080	2.0
135.11678	5.5
143.08557	2.6
145.10144	2.6
147.11711	1.5
149.13266	13.2
151.11195	0.9
155.08603	1.1
157.10184	1.2
159.11708	6.8
169.10150	1.0
171.11728	0.7
177.12770	2.4
181.10146	0.9
183.11740	1.1
185.13301	1.0
195.13817	9.3
199.14754	1.0
213.14838	1.1
251.16428	1.8
269.17490	52.2
326.13123	0.9
335.23605	0.8
353.24686	2.5
371.25876	3.3
376.19153	0.8
389.26660	1.7
427.28735	1.3
445.29474	14.3
463.30585	100.0
464.30814	1.7
481.31546	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
53.74237	1.1
54.49473	0.9
55.05500	4.7
57.03434	6.8
57.07066	1.4
57.93652	0.9
59.04996	4.4
61.02923	4.0
67.05184	1.7
67.05511	27.7
69.03433	5.5
69.07071	9.9
70.10513	4.2
71.05001	8.1
73.02891	1.1
79.05502	10.8
81.03409	4.2
81.07059	45.5
83.04979	3.8
83.08625	3.5
85.02916	13.4
85.06545	6.0
87.00842	5.8
87.04487	2.4
87.24500	1.1
91.03948	1.2
91.05482	8.9
93.07049	15.9
95.04977	1.7
95.08617	5.7
97.02901	6.8
97.06532	4.6
99.08112	2.8
105.01871	9.4
105.05516	1.8
105.07014	4.2
107.08596	5.7
109.02898	4.0
109.06522	1.5
109.10141	2.8
111.08089	1.9
111.11722	5.5
117.07015	4.6
121.10121	2.7
123.11716	8.8
127.03908	9.6
129.12759	14.4
131.08559	5.1
132.99489	1.1
133.10143	10.2
135.11670	5.0
145.04950	5.3
149.13283	8.8
151.11142	4.3
159.10458	1.9
159.11697	22.7
161.13322	1.6
162.40747	1.1
169.12140	2.2
177.11215	2.1
177.12756	29.9
179.14360	8.0
187.13307	6.3
195.13849	5.5
201.14899	1.3
213.03918	1.6
231.04875	3.2
243.15945	35.4
249.06134	1.5
251.16432	10.8
257.17413	1.2
264.69775	1.3
269.17490	100.0
301.20117	19.1
445.24271	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	498.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31924	0.8
53.03939	1.7
55.05516	6.0
57.03448	6.8
57.07061	0.8
59.04997	1.4
61.02924	2.6
67.05509	33.1
69.03438	1.1
69.07073	4.5
69.20701	5.1
69.21102	2.5
71.04995	9.2
73.02927	1.0
77.03957	0.9
77.67451	0.7
79.05499	11.4
81.03420	2.5
81.07066	57.3
83.04987	3.2
83.08652	5.3
85.02911	4.9
85.06548	6.5
91.03990	0.8
91.05482	12.5
93.07050	20.1
95.04974	2.3
95.08624	9.2
97.02875	1.9
97.06535	6.8
99.08095	3.4
105.07037	5.7
107.08607	8.6
109.02892	1.0
109.06522	1.0
109.10160	3.8
111.08087	3.0
117.07032	6.1
119.08597	1.4
119.50624	0.9
121.06474	1.3
121.10152	3.5
123.08086	1.1
123.11731	8.9
131.08557	4.6
133.10144	10.8
135.11719	5.2
149.13277	11.3
151.11209	5.4
159.11711	24.5
159.13039	1.4
160.11984	0.8
161.13286	2.0
167.07043	2.0
169.12268	2.7
177.12759	33.7
179.14307	7.4
183.13791	0.9
187.13315	5.7
195.13846	7.7
209.08150	1.0
213.14816	0.9
217.63600	1.0
233.15503	0.9
239.03017	0.8
243.13423	2.0
243.15944	34.5
251.16423	10.2
269.17499	100.0
301.20105	19.3
413.21530	1.1
445.24417	10.7
498.19766	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.7
57.03445	5.9
57.07075	1.1
59.05004	1.2
61.02928	2.1
65.24294	0.8
67.05514	24.8
67.61575	0.9
69.07066	5.3
70.78032	2.1
71.05001	6.9
73.02913	1.2
79.05493	9.5
80.63908	0.8
81.07063	38.4
83.04961	2.4
83.08633	4.4
85.02898	2.5
85.06560	6.3
87.04439	1.0
91.05483	8.6
93.07046	16.7
95.04997	1.2
95.08607	4.3
97.06537	4.4
97.10136	0.9
99.08097	2.1
103.03880	0.8
105.07021	3.7
105.95983	0.9
107.08599	6.1
109.10149	3.2
111.08088	2.1
111.11713	1.4
117.07024	4.7
119.08580	1.0
121.10136	3.6
123.11689	6.8
129.12743	1.1
131.08597	4.7
133.10147	8.2
135.11688	3.4
149.09692	0.9
149.13281	10.0
151.11183	4.9
159.11711	25.0
161.13243	2.8
169.12253	2.1
177.12770	29.0
179.14310	5.1
183.13890	1.2
187.13222	3.9
195.13782	5.1
243.15952	33.7
251.16452	9.8
269.17499	100.0
281.57037	0.9
301.20123	18.7
313.11475	0.9
445.24463	9.7
479.11099	0.9
518.33160	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.8
55.01865	4.7
55.05510	8.6
56.45116	1.6
57.03430	5.9
57.07085	11.0
59.04707	2.3
59.05005	43.9
61.02917	4.7
67.05506	12.4
69.03435	26.7
69.07073	43.3
69.54132	5.1
69.54537	3.8
71.04974	6.1
71.08627	6.5
71.36665	1.5
73.02912	5.6
73.06564	9.3
77.06052	3.7
79.05466	3.3
81.03418	23.3
81.07064	17.1
83.05000	2.4
83.08624	5.2
85.02908	69.6
85.06551	2.9
85.10186	5.3
87.00837	33.3
87.04460	7.8
91.05475	4.2
93.07053	6.6
95.08612	4.3
97.02898	40.2
97.06523	3.1
97.10180	1.6
99.04468	12.5
99.08113	1.8
105.01871	51.7
105.02577	2.9
105.05505	19.6
107.08604	4.2
109.02891	21.4
109.10139	3.4
111.11724	62.4
117.01855	3.0
117.05486	1.6
119.08573	1.9
121.10203	2.4
123.11736	2.9
126.05526	2.9
127.03923	50.9
127.11201	3.5
129.01857	2.9
129.12762	100.0
131.08636	2.3
133.10152	4.6
145.04971	26.8
149.13280	5.1
151.11128	2.4
154.95270	1.5
159.02913	12.1
159.11668	7.8
177.12758	7.8
179.14307	1.5
181.01781	1.6
181.57695	1.5
187.13283	2.2
187.16905	1.8
195.06525	1.9
195.13789	2.4
200.40067	1.5
210.06505	1.7
213.04060	4.1
215.16422	17.6
231.04988	19.4
233.17485	6.1
243.15915	14.5
249.06099	9.7
251.16495	2.4
267.11282	1.9
269.17493	40.5
272.96002	1.8
301.20056	5.5
313.11829	4.7
341.11566	2.6
359.17026	3.8
373.13870	11.1
512.51422	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	498.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65648	0.8
55.01865	3.3
55.05514	6.7
57.03440	6.5
57.07063	0.7
58.60818	0.9
61.02916	3.6
67.05218	1.0
67.05513	8.6
68.51644	0.9
69.03423	2.7
69.07090	1.9
70.06583	1.3
70.98355	1.2
71.04980	1.3
73.02915	3.0
79.05489	7.1
80.06261	0.7
81.03425	7.3
81.07059	8.0
82.04197	3.0
83.04984	3.8
83.08620	4.1
84.02141	0.8
84.05764	1.4
85.02911	2.9
87.04419	0.8
87.98095	0.9
91.03954	1.6
91.05492	6.0
93.07055	6.8
94.39194	0.9
95.04974	7.9
95.08606	3.3
97.02882	3.4
97.06543	2.2
97.10166	6.9
98.07304	3.1
105.07030	3.2
107.04964	1.9
107.08596	4.6
109.06535	1.8
109.10159	1.5
111.08078	1.5
116.04748	5.9
117.07006	1.3
119.08582	2.5
121.06466	1.0
121.10110	1.7
121.20667	0.7
123.08059	2.8
125.09624	7.5
129.05493	17.1
129.06979	1.9
131.08586	2.2
133.10110	3.9
135.08089	1.8
135.11658	1.9
137.09653	1.5
139.57973	0.7
143.07057	3.9
145.04944	0.9
145.10146	1.7
147.08086	0.8
147.11658	2.0
149.09647	1.0
153.09128	1.7
157.08615	9.1
157.09868	1.2
163.11159	2.1
171.10164	2.6
175.11226	1.2
184.20706	0.8
189.11220	4.2
190.14560	0.8
193.12251	3.3
199.13351	2.1
200.14116	1.9
211.13387	1.2
218.87195	0.7
227.12798	26.8
241.10825	0.8
250.03937	0.8
267.15970	1.7
269.17395	1.0
275.61920	0.9
283.15366	0.8
284.16162	1.5
301.16473	100.0
448.58475	0.8
463.21765	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	498.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	0.7
60.03580	0.3
69.03432	0.9
70.06605	0.6
71.53852	0.5
76.56403	0.3
79.05515	0.8
83.95644	0.3
85.02937	1.6
91.05478	1.1
93.07053	1.2
97.02905	0.9
98.06067	0.4
98.08900	0.3
98.97590	1.2
103.05479	6.7
107.04970	2.3
107.21317	0.3
111.04455	0.6
116.98718	0.3
119.04949	0.6
120.08118	100.0
121.08462	0.7
122.06098	0.5
126.05511	0.4
127.03944	1.1
130.08627	0.3
131.04924	2.7
137.06027	0.3
139.03947	1.2
140.07101	1.0
141.03908	0.3
147.04436	1.8
149.05984	2.3
158.99634	0.5
166.08656	52.4
167.06998	0.3
167.09055	0.4
171.06552	1.6
172.06113	0.8
177.05368	0.4
189.05505	0.4
204.57353	0.3
219.01768	1.0
237.02856	0.6
287.67776	0.3
480.51196	0.3
499.79956	0.3
510.32370	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
55.05506	0.5
56.05032	0.5
57.03424	0.4
57.07069	1.1
58.06606	0.5
59.82561	0.3
60.07887	0.4
60.08171	5.8
61.45595	0.3
63.27485	0.3
67.05491	1.3
69.07056	0.7
70.11632	0.9
70.11999	0.6
71.04968	0.3
71.07384	2.2
71.08635	0.6
79.05511	0.7
81.07058	1.3
83.08603	0.5
86.09711	28.2
86.34625	0.3
89.06039	0.4
91.05467	0.8
93.07034	1.0
94.07359	0.4
95.04945	0.3
95.08595	0.6
98.98473	2.6
99.71133	0.4
104.10757	2.4
105.07032	0.6
107.08569	0.4
109.10157	0.5
114.17590	0.3
125.00014	18.8
133.10146	0.3
184.07353	100.0
185.07785	0.3
207.24544	0.3
248.86160	0.3
313.27063	0.3
343.19211	0.3
478.32990	0.9
487.37424	0.3
496.34280	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	497.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.0
55.01869	4.8
55.05267	2.0
55.05516	24.4
57.03441	32.2
57.07065	5.2
61.02930	69.7
65.03929	3.3
66.49093	1.3
66.98312	1.4
67.05511	97.9
69.03433	40.7
69.07078	21.2
69.83012	7.9
71.01346	4.5
71.04988	5.7
73.02924	32.9
79.05496	60.8
81.03424	23.6
81.07062	92.8
83.04978	6.5
83.08631	11.1
85.02912	66.0
85.06529	3.4
87.04467	6.1
91.03413	2.5
91.03964	39.6
91.04905	1.6
91.05479	39.2
93.07049	65.4
95.04984	10.4
95.08611	74.2
97.02898	59.6
97.06539	5.3
97.10158	4.6
98.20787	1.9
99.04465	16.4
99.08090	3.9
101.02378	13.5
103.03932	8.6
103.38838	1.7
105.04548	2.5
105.07030	35.1
107.04977	3.0
107.08607	36.8
109.02889	12.5
109.06504	4.3
109.10169	31.5
110.17641	1.6
111.04461	3.7
111.08079	4.9
115.03943	4.6
117.05507	2.9
117.07027	13.9
119.08587	28.0
121.10146	33.0
123.08056	3.2
123.11714	13.2
125.09631	1.8
127.03934	22.5
128.06258	1.9
129.05478	6.3
129.07010	5.2
131.08582	19.4
133.10144	21.9
135.08069	2.9
135.10831	2.2
135.11714	23.1
137.09612	2.0
137.13274	4.7
141.06949	2.3
143.08594	4.4
145.04973	10.6
145.10136	19.2
147.08031	2.8
147.11699	16.0
149.09648	2.4
149.13277	13.5
151.11235	2.1
151.14821	1.6
157.10133	3.5
159.06532	2.5
159.11737	12.6
161.09644	2.0
161.13271	11.4
163.11159	2.8
163.14766	8.5
169.10094	2.7
171.06471	1.8
171.11656	4.1
173.13292	10.7
175.14833	6.6
177.12712	2.2
177.16388	2.2
179.14275	2.1
183.06532	5.2
183.11723	2.9
185.09665	1.9
185.13206	4.2
187.14807	7.6
197.13338	3.0
199.14786	1.5
201.07561	5.5
201.16371	4.4
203.14284	1.8
205.16016	2.1
243.21152	8.0
259.20508	3.1
261.22162	26.9
275.24002	2.1
277.21680	2.0
285.22159	3.0
289.21628	2.0
291.23117	1.9
301.21600	1.7
303.23196	3.5
313.21347	1.6
315.23285	2.4
317.24832	3.5
327.22797	1.7
335.25812	100.0
341.24814	1.6
345.24371	3.0
363.25217	3.0
369.24167	6.1
387.24994	3.4
405.26324	2.9
425.26932	1.6
443.27820	4.8
449.08905	1.7
461.29010	7.0
479.30072	12.6
497.31107	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	496.3399
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.06456	0.2
53.81619	0.2
54.41864	0.2
55.05509	0.6
56.05038	1.2
57.03433	0.3
57.07078	3.0
58.06584	1.7
59.07381	0.2
60.08166	18.7
67.05500	0.8
69.07078	0.7
70.06592	0.2
70.23213	0.7
71.07379	6.8
71.08632	1.9
80.97415	0.2
81.07064	0.9
83.08624	0.7
85.10188	1.2
86.09708	50.4
87.10049	0.2
89.06035	0.2
93.07062	0.2
95.08620	1.3
97.10174	0.3
98.98465	3.5
104.10747	100.0
109.10160	0.4
123.11763	0.2
125.00008	29.2
163.01469	0.9
166.02620	0.3
166.06256	0.2
170.94987	0.2
181.02681	0.3
184.07343	95.0
185.07715	0.2
191.01784	0.2
249.07498	0.2
258.11023	1.0
283.26254	0.2
313.27347	1.9
419.25787	0.3
478.32953	8.7
496.33987	40.8
497.34332	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.17
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89305	0.9
55.01859	0.9
56.57031	1.0
56.96294	1.6
56.96568	18.2
57.03451	1.4
69.03432	3.5
71.53780	2.0
73.02905	1.5
79.15340	1.0
81.03431	1.1
83.97647	7.4
84.96053	2.2
85.02908	9.0
91.05504	2.1
97.02910	4.2
98.97595	27.3
99.97125	2.5
101.98693	1.3
109.02869	1.4
110.97597	7.7
112.99166	1.9
116.98653	6.2
119.04953	4.1
124.99171	1.9
127.03930	11.3
128.00218	39.8
128.98625	4.3
130.06401	0.9
131.00111	1.2
137.06046	1.5
137.98627	5.0
139.03917	10.0
140.98575	1.4
142.01787	2.9
143.00194	3.1
145.05002	3.0
146.01266	54.4
146.99634	1.7
147.03365	2.1
147.04434	12.6
148.04764	3.3
151.03888	2.7
152.98602	1.5
155.99699	11.5
158.99681	17.1
160.02829	2.1
161.01219	1.8
162.05922	1.2
164.02338	30.8
170.04909	2.1
170.99701	4.8
174.00755	8.9
177.00697	5.5
177.05617	1.4
179.03461	3.3
182.03400	3.4
182.99783	1.4
186.04410	10.3
189.00740	2.7
189.04353	2.3
190.03946	2.6
192.01723	2.0
196.02866	9.9
201.00725	5.0
202.00264	5.9
203.03468	2.1
204.05478	22.3
207.05319	1.5
208.04982	1.4
213.00810	1.2
214.03896	17.4
214.05872	0.8
219.01799	11.0
220.01378	2.3
222.06540	2.5
226.03877	3.7
231.01773	1.2
231.05727	1.3
232.05051	4.2
234.99124	1.2
237.02922	6.5
238.03139	1.5
243.01781	3.2
244.04964	32.2
245.05034	1.4
247.03528	1.4
249.06284	1.4
253.00150	1.3
257.04526	6.0
261.02850	8.5
262.06024	71.9
275.05545	1.7
276.07504	1.7
279.03925	3.1
279.07037	1.1
280.07062	3.3
285.07578	1.3
287.05472	3.0
291.04453	1.7
291.07388	7.0
307.59137	1.2
309.08578	16.4
321.04953	1.6
322.05322	3.1
331.05835	2.9
363.09827	1.7
380.12421	10.8
390.10794	2.4
408.11832	4.8
415.08508	1.3
425.08807	2.7
436.11322	2.8
448.14865	15.8
478.15985	8.8
496.17084	100.0
497.17407	1.5
505.15228	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	12.7
55.01873	13.0
55.05522	22.6
57.03440	35.2
57.07079	6.7
58.88717	3.0
61.02934	56.4
65.03940	4.5
67.05508	67.1
69.03441	36.6
69.07078	23.7
71.01368	4.1
71.04997	7.1
71.27020	5.6
73.02931	27.5
79.05498	75.7
79.05959	3.9
81.03426	24.4
81.07066	67.6
83.04980	8.8
83.08614	13.7
85.02912	60.2
87.04465	3.7
91.03963	23.5
91.05483	75.3
93.07059	69.2
95.04963	10.8
95.08613	41.5
97.02904	36.3
97.06539	10.7
97.10181	6.1
99.04455	8.3
101.02401	7.6
103.03912	7.1
105.07032	66.1
105.07684	5.2
107.04980	7.1
107.08607	37.4
109.02885	8.4
109.06544	11.4
109.10169	19.8
111.04451	6.5
111.08118	8.3
113.06030	3.1
115.05468	5.5
117.07042	34.2
119.08589	49.8
121.06517	6.5
121.10153	34.8
123.11711	3.8
127.03924	10.8
128.06189	6.5
129.05492	6.8
129.07019	28.3
130.07709	3.3
131.04984	4.7
131.08582	55.6
133.06497	6.9
133.10153	37.3
134.04065	3.5
135.08118	7.1
135.11725	19.1
137.06007	6.3
137.09590	4.8
141.07010	10.4
142.07811	8.0
143.08585	25.5
145.04939	5.7
145.06528	6.8
145.10149	37.5
147.08081	8.2
147.11719	27.2
149.09596	9.7
149.13261	13.8
155.08539	9.3
157.06474	3.7
157.10150	20.9
159.08069	6.9
159.11716	26.0
161.09634	4.8
161.13260	19.2
163.11205	6.6
163.14882	4.2
167.08562	6.0
169.06529	5.1
169.10143	15.1
171.11697	16.6
173.09619	4.0
173.13284	18.6
175.11205	7.3
175.14902	7.7
177.12752	3.6
181.10184	7.7
183.08081	5.3
183.11722	10.2
185.13251	16.1
187.11194	5.8
191.10649	4.0
193.12216	5.2
195.11610	5.2
197.09593	3.9
197.13319	8.2
199.11255	5.4
199.14920	5.1
203.14375	5.1
209.11671	3.7
209.13388	4.3
211.11311	4.3
211.14931	5.1
241.15771	3.5
241.19595	12.6
259.20566	26.0
267.09073	5.0
269.10654	3.8
271.20581	5.0
277.21820	5.0
283.20551	5.8
295.20450	5.0
299.20123	4.2
300.90381	3.5
301.21719	8.6
313.21536	9.4
315.23218	5.0
325.21567	7.1
333.24258	45.6
339.23175	4.2
343.22452	6.0
345.24176	7.3
347.96738	3.5
349.17316	3.5
349.21411	9.2
357.24240	3.7
361.23575	5.0
363.25482	5.3
367.22693	18.7
375.25317	11.0
385.23749	13.3
387.25223	5.3
399.25430	4.5
403.24704	9.0
417.26282	10.2
429.26468	8.9
441.26535	41.2
459.27597	28.3
477.28583	35.9
495.29602	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94167	0.6
55.05504	1.0
59.04989	0.9
59.32463	0.5
67.05494	1.8
69.03427	1.4
70.86803	1.2
79.05485	1.8
79.91113	0.7
81.03424	0.8
81.07048	3.0
83.04990	1.2
85.02908	1.4
85.06550	1.3
85.55188	0.6
91.05491	0.8
93.07045	1.0
95.04956	0.9
95.08599	2.4
97.02886	0.9
99.04411	0.6
99.08086	1.8
104.65862	0.6
105.07040	0.9
107.04967	1.3
107.08582	1.6
109.10161	1.6
110.10478	0.8
111.08066	0.7
119.08598	1.3
121.10133	0.8
121.50765	0.6
123.04443	3.9
133.10126	1.4
135.08018	0.7
135.11725	1.0
136.12021	0.9
137.09659	0.7
149.13332	0.8
151.03903	8.8
157.03221	0.6
159.11646	0.7
163.11035	0.6
167.07034	5.3
167.14383	0.8
170.86461	0.6
179.03307	3.1
179.06964	0.8
185.31134	0.8
193.15912	1.0
194.16212	0.9
203.10466	0.6
211.16957	2.7
212.17253	4.1
229.18016	0.7
247.13106	7.6
273.85733	0.6
275.12625	4.3
315.04996	1.9
316.05530	1.0
317.05685	2.7
331.08160	4.5
332.08429	4.0
333.09341	17.6
391.17346	2.2
409.18317	16.6
451.19421	37.2
464.04214	0.7
495.18411	100.0
496.18646	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	495.1291
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
55.05495	0.9
58.08129	0.3
64.24706	0.3
65.32879	0.3
67.05516	2.6
68.99776	0.5
69.07060	0.6
70.07368	0.4
70.07700	1.3
71.04965	0.5
79.05501	2.1
81.03402	0.9
81.07059	2.5
83.04950	0.6
83.08601	0.6
85.02900	0.5
91.05479	2.6
93.07057	1.9
95.04961	1.0
95.08595	0.9
97.02879	0.5
97.06516	0.7
97.10156	0.5
102.04668	0.5
103.05449	2.7
105.07030	1.6
107.04938	0.9
107.08620	0.7
109.06515	0.3
109.10136	0.7
111.08060	0.4
117.03371	0.4
117.07004	0.8
118.04146	1.9
119.04929	0.6
119.08567	0.9
121.06528	2.0
121.10109	1.0
123.11668	0.6
125.09660	0.4
129.06985	0.4
130.04147	0.8
131.04936	3.9
131.08549	0.5
132.05739	1.8
133.02823	0.3
133.10161	0.6
135.04382	0.7
135.11705	0.4
140.04703	2.1
145.06558	0.3
145.10080	0.5
146.03627	2.5
147.04404	0.7
147.11659	0.7
148.05196	0.7
149.05988	0.9
149.09616	0.4
151.03844	0.4
153.01833	6.1
153.05452	0.8
154.06190	0.5
155.07002	0.3
157.10052	0.5
160.05278	0.6
161.05986	0.6
162.03136	0.6
163.03938	0.5
163.11166	0.4
166.06300	0.6
167.07045	1.4
173.06006	0.4
176.04665	1.5
177.05470	2.9
178.06270	2.8
191.07068	4.0
192.07835	1.7
193.04982	0.8
193.12300	0.4
203.03433	3.9
209.11729	0.5
213.05438	0.7
227.12816	0.6
227.41260	0.4
229.04956	5.8
241.05025	1.0
242.05759	9.4
253.04926	2.1
256.25000	0.3
257.04471	49.2
258.05261	16.2
267.15933	0.8
269.04480	1.8
270.05231	1.8
271.06024	2.0
283.06110	0.5
285.03915	7.9
286.04736	28.6
287.05515	17.4
295.05951	0.6
297.03952	3.9
299.05563	1.8
300.06351	1.5
301.07101	0.5
327.04941	2.1
341.06573	1.8
359.09338	0.4
385.23477	0.5
403.08319	0.4
416.08911	0.5
417.09729	0.5
419.07678	0.8
433.09174	0.7
444.08313	0.6
447.07233	1.3
461.08713	0.6
462.09262	0.7
465.11792	2.8
477.11850	12.0
477.28220	0.9
495.12915	100.0
496.13495	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62497	0.4
53.03933	0.7
55.01862	1.0
55.05503	0.9
56.05027	0.7
56.11190	0.3
57.03434	1.0
57.07078	0.5
59.04991	0.4
60.04530	9.2
66.36926	0.4
67.05505	2.3
68.99804	0.3
69.03433	3.4
69.07063	3.6
69.39151	2.3
71.04997	13.7
72.04517	0.5
73.02924	0.6
79.05490	1.4
81.03420	3.0
81.07060	3.3
83.04955	0.7
83.08617	0.5
84.04476	0.3
85.02913	8.3
85.06544	1.5
86.97535	0.4
87.00838	2.1
90.05521	0.3
91.05502	0.9
93.07052	3.5
95.08611	6.2
97.02896	3.1
97.06513	1.4
97.10175	0.8
99.04462	39.8
99.08083	0.8
105.01856	1.6
105.07010	1.4
107.08595	4.7
109.02905	2.0
109.06495	0.5
109.10159	4.4
111.11737	0.7
113.09653	3.7
115.07561	1.9
119.08604	3.6
121.02886	0.4
121.10125	2.2
123.08086	1.0
123.11715	2.7
125.09657	1.6
127.03920	3.1
133.10117	3.0
135.11697	14.0
137.09612	0.5
139.11156	1.4
141.09120	0.4
141.12746	1.8
143.10652	0.7
145.04942	1.4
147.11653	0.5
149.13287	0.9
151.14841	2.2
151.50156	0.4
153.12758	1.2
159.02898	0.6
165.16403	0.8
167.14420	0.4
169.15869	1.0
175.14839	4.9
193.15892	5.8
211.16943	100.0
212.17229	0.8
225.16385	0.4
231.04929	0.6
278.24899	0.9
296.26038	0.8
314.26920	1.5
331.08203	0.7
332.08377	0.8
332.27948	11.8
348.07996	0.5
374.29025	0.6
458.31442	0.4
476.32129	0.6
494.19287	0.8
494.33401	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	494.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.6
55.01865	6.1
55.05514	38.8
57.03422	4.6
59.60551	2.5
60.71571	2.5
67.05510	37.0
68.59243	2.6
69.03440	4.8
69.07061	10.8
71.53706	3.8
79.05138	3.3
79.05510	41.2
81.03459	2.6
81.07055	28.6
83.04994	4.7
83.08637	18.3
89.42793	2.4
91.05489	32.8
92.05850	3.4
93.07048	23.9
93.84859	2.9
95.04964	5.7
95.08609	12.1
97.06549	5.1
97.10172	39.9
101.06093	2.8
103.05476	19.9
105.07034	29.4
107.05023	4.4
107.08620	20.2
109.10152	9.5
111.08095	4.7
115.05447	6.0
117.00941	2.7
117.07035	46.3
119.08575	13.7
121.06564	6.0
121.10179	7.2
125.09639	32.0
128.06270	6.7
129.07016	19.8
131.08572	34.4
133.06491	8.2
133.10144	6.7
135.08101	6.6
141.07001	9.7
143.08586	11.2
145.06512	9.6
145.10124	12.7
147.08076	4.5
149.09674	6.2
153.06975	2.7
153.09116	3.7
155.08549	12.9
157.10110	5.6
159.08112	6.7
159.11758	3.1
167.08604	5.8
169.10176	7.9
171.08058	3.8
171.10213	3.1
171.11656	7.1
173.09639	3.7
179.08577	3.4
187.14825	10.6
189.11198	18.0
195.11623	4.1
197.13298	12.1
215.14322	45.1
218.47624	2.8
227.12752	38.4
233.15419	3.3
287.82507	3.0
297.63406	3.1
339.23132	3.7
349.21591	9.9
367.22760	21.7
385.23682	10.0
396.34894	2.9
403.24692	6.3
441.26410	52.6
459.27435	100.0
460.27444	2.8
477.28760	16.6
494.27551	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	493.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.0
51.03429	2.3
53.03942	8.3
55.01874	14.0
55.05516	35.8
57.03448	13.5
57.07045	2.7
65.03929	7.1
66.46352	2.4
67.05508	78.8
69.03416	7.6
69.07073	15.5
70.66200	6.7
71.04993	9.2
77.20255	2.2
79.05494	70.0
81.03422	86.6
81.07062	53.5
83.04984	24.8
83.08628	28.7
84.53871	2.7
85.02902	15.2
85.06512	6.5
91.05485	55.2
93.03405	3.6
93.06483	4.0
93.07044	62.2
94.07402	2.2
95.04977	44.0
95.08065	2.6
95.08611	34.1
97.02881	10.1
97.06561	13.4
97.10178	19.3
99.04491	2.8
99.08054	3.0
103.05457	2.5
105.07037	38.3
107.04293	3.4
107.04959	38.0
107.08603	36.3
109.02852	5.7
109.06516	12.0
109.10155	28.4
111.04449	21.0
111.08094	16.5
113.06023	3.4
115.05434	4.0
117.07009	18.0
119.04919	4.5
119.08583	32.2
121.02864	22.8
121.06504	16.4
121.10146	28.2
123.04418	7.9
123.08086	6.8
123.11658	4.3
124.11413	2.4
125.06020	3.9
125.09639	21.1
127.03924	4.1
129.07024	19.3
131.04907	7.8
131.08575	23.7
133.06482	10.0
133.10123	18.7
135.04459	11.4
135.08020	8.5
135.11688	31.9
136.12035	5.1
137.05977	11.5
137.09619	2.8
139.07518	3.6
139.11157	3.0
141.06953	6.8
142.07727	2.4
143.08611	4.5
145.06453	7.4
145.10115	20.6
147.04410	6.0
147.08022	7.5
147.11693	16.9
149.05971	3.6
149.09625	12.7
149.13194	2.4
151.07562	4.2
153.09096	4.7
153.12778	14.0
155.08582	5.3
157.10143	14.2
159.07997	5.0
159.11697	7.8
161.05942	3.3
161.09612	5.7
163.11185	32.1
165.12711	3.9
167.07063	3.7
169.10164	2.4
171.10233	2.8
171.11653	3.3
173.09648	6.8
173.11745	5.0
173.13239	3.9
175.11198	13.2
181.12244	15.2
183.11697	6.9
185.13263	3.4
187.11241	2.9
189.11221	9.6
189.12770	3.0
191.10699	13.6
193.12244	33.9
201.12787	6.1
203.14287	3.8
205.12160	2.8
209.11743	20.8
209.15399	4.4
210.15659	8.3
211.11108	5.8
211.13205	31.8
217.12340	2.8
219.13829	7.7
221.15213	3.0
227.12784	57.6
229.12312	5.2
229.14323	12.4
231.13748	7.2
247.13319	41.9
249.14832	12.8
255.06490	14.1
259.13135	3.1
265.14380	4.7
267.15942	38.7
283.06049	4.4
283.15387	25.3
315.04987	7.5
321.16876	9.9
331.08124	31.2
331.18784	14.3
337.21606	4.3
339.08594	5.2
355.22684	4.8
365.21033	6.2
383.22174	17.4
401.23270	19.0
419.24158	5.1
447.27213	4.9
457.25336	6.0
475.13528	3.5
475.26944	87.3
493.15213	11.9
493.28384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.4
59.04295	0.2
61.02924	0.7
67.05502	0.6
69.03429	1.0
69.07048	0.2
69.92007	0.6
71.04990	0.5
73.02915	0.7
73.87489	0.2
77.70110	0.2
79.05483	0.3
81.03417	0.4
81.07057	0.7
83.04966	0.5
85.02908	1.5
85.06541	0.7
86.03236	0.2
86.09730	0.3
91.05493	0.6
93.07044	0.5
95.04980	5.4
95.08614	0.6
96.05306	1.6
97.02879	0.7
97.06551	0.2
98.21426	0.3
99.04459	0.8
99.08097	0.4
100.04769	0.4
105.01907	0.3
105.07038	0.5
107.08610	0.5
109.02889	0.2
109.10120	0.4
111.08064	0.3
115.68921	0.3
117.07038	0.2
119.08614	0.5
120.08907	0.5
121.06567	0.4
121.10159	0.3
123.11691	0.3
127.03890	0.7
131.08560	0.4
133.10120	0.8
134.10463	0.6
137.05986	0.5
140.60245	0.3
145.10101	0.3
147.11758	0.3
148.05370	0.2
151.07570	1.8
151.11180	0.5
153.01851	2.6
153.09099	1.3
154.09477	0.8
161.13322	0.3
162.13637	0.4
163.07605	0.3
167.07071	0.3
167.14360	0.3
168.14592	0.3
173.13306	0.6
174.13554	0.5
178.02594	0.3
179.07060	1.8
191.14336	0.5
192.14703	0.6
209.15352	2.3
210.15701	3.3
211.16870	0.3
227.16431	1.4
228.16750	1.6
242.05759	1.4
258.05246	1.3
270.05264	6.5
273.03989	0.9
286.04697	0.9
287.05530	3.8
295.22736	0.3
299.05536	1.8
301.03534	1.5
302.04156	1.8
313.03455	0.7
315.04999	25.7
316.05792	4.0
329.10538	0.2
331.08136	100.0
332.08444	1.1
458.21591	0.5
493.13541	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.9
55.01875	12.8
55.05271	2.7
55.05515	35.6
56.46176	2.3
57.03444	11.4
59.04985	2.9
61.98290	2.7
65.03929	4.2
67.05507	65.6
69.03419	4.8
69.07068	12.4
70.37779	2.4
70.64689	6.4
71.04990	6.2
79.05494	52.6
81.03419	100.0
81.07060	45.1
82.05177	2.7
83.04995	26.3
83.08624	30.1
85.02889	10.3
85.06541	4.3
91.05485	47.9
93.03413	2.5
93.06490	3.3
93.07046	47.2
95.04974	37.6
95.08604	30.4
97.02891	7.5
97.06527	9.3
97.10175	19.0
99.04445	3.6
99.08088	2.9
104.32549	2.5
105.07027	28.4
107.04959	22.7
107.08600	28.5
109.06500	6.2
109.10142	21.9
111.04452	26.3
111.08108	14.6
115.05456	4.1
117.07010	14.7
119.04948	3.9
119.08590	25.4
121.02895	15.9
121.06509	13.2
121.10117	21.2
123.04398	2.8
123.08076	5.9
125.06030	3.0
125.09641	16.7
127.03909	2.5
129.05484	2.8
129.07001	17.8
131.04910	4.5
131.08563	18.5
133.06470	4.7
133.10132	18.2
135.04384	9.0
135.08031	5.8
135.11688	22.3
135.83488	2.3
137.06000	4.8
137.09605	5.9
141.06985	3.9
142.07721	3.0
143.08525	5.5
145.06526	4.9
145.10110	21.3
147.08014	5.8
147.11681	14.4
149.06009	2.9
149.09616	6.8
153.12741	16.1
155.08537	4.3
157.10187	14.6
159.11681	3.1
161.09598	4.0
163.11192	39.1
171.08018	3.1
171.11705	2.8
173.09676	4.3
173.11778	3.3
175.11133	12.2
181.12247	18.2
183.11673	5.2
185.13263	2.9
189.11191	10.6
191.10725	11.0
193.12254	44.3
199.60918	2.5
201.12694	2.8
209.11774	16.5
211.11336	4.1
211.13286	34.4
213.12840	3.3
219.13835	10.2
227.12794	46.6
229.12274	4.8
229.14322	9.6
231.13875	3.2
247.13326	36.0
249.14888	10.2
259.13367	4.9
263.14221	2.5
265.14325	4.5
267.15933	46.5
283.15509	31.3
321.17090	8.9
331.08255	3.6
337.21710	4.4
355.22742	5.2
373.23523	3.7
383.22159	12.0
401.23328	12.8
419.24356	4.8
447.26947	3.0
457.25735	4.5
475.26935	80.0
493.27866	94.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.3
60.30468	0.2
61.02909	0.6
67.05522	0.4
67.35984	0.2
69.03413	0.7
69.07078	0.2
70.06583	0.2
71.04969	0.5
73.02935	0.4
79.05482	0.3
81.03406	0.3
81.07049	0.7
83.04959	0.4
85.02903	1.0
85.06532	0.7
86.09669	0.3
87.00800	0.3
91.03944	0.4
91.05466	0.6
93.07047	0.3
95.04971	3.4
95.08625	0.3
96.05296	1.1
97.02887	0.5
97.06558	0.3
97.69046	0.2
99.04460	1.0
105.01854	0.3
105.07024	0.6
106.07349	0.2
107.08591	0.6
109.02886	0.4
109.10146	0.3
114.94019	0.2
119.08558	0.6
122.10497	0.2
123.08041	0.3
125.09626	0.3
127.03934	0.4
131.08575	0.4
133.10144	1.0
134.10443	0.4
136.05145	0.3
137.05962	0.8
145.10152	0.2
147.11702	0.2
148.05206	0.3
151.07564	1.4
151.11171	0.2
153.01820	2.7
153.09062	0.5
154.09441	0.4
161.13268	0.5
161.94089	0.2
162.13602	0.4
162.18971	0.2
167.07076	0.3
167.14250	0.2
172.14244	0.2
173.13272	0.4
174.13629	0.4
178.02525	0.3
179.07085	1.5
183.13762	0.2
191.14279	0.5
192.14713	0.4
209.15361	1.6
210.15685	2.3
211.17050	0.3
227.16278	1.1
228.16774	1.4
242.05699	1.2
258.05142	1.1
270.05243	5.6
273.03915	0.7
286.04752	1.2
287.05460	2.8
295.22650	0.3
299.05490	2.0
301.03476	1.4
302.04251	2.0
313.03470	0.4
315.04993	24.6
316.05780	4.1
331.08124	100.0
332.08432	1.0
341.06168	0.2
458.21210	0.3
493.13443	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1346
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
53.76197	0.1
61.52557	0.1
70.07283	0.4
76.17113	0.1
81.07027	0.1
91.75199	0.1
126.41821	0.1
137.05980	0.2
153.01831	0.3
154.02565	0.1
178.02643	0.5
179.07079	0.1
241.05022	0.2
242.05750	1.5
255.02959	0.1
258.05276	1.3
269.04425	0.2
270.05255	8.1
270.86514	0.1
271.05795	0.2
273.03952	1.1
286.04797	1.3
287.05487	3.1
298.04752	0.3
299.05563	0.6
301.03464	1.6
302.04224	2.1
302.07550	0.2
310.43689	0.1
313.03552	0.8
315.05005	31.2
316.05786	3.9
316.08841	0.1
316.09555	0.1
331.08142	100.0
332.08551	0.9
420.56308	0.1
493.13562	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63784	2.3
53.03947	7.6
55.01862	7.0
55.05504	9.7
57.03432	8.3
57.07071	5.7
60.04518	3.1
65.03935	4.6
65.98571	2.4
67.05500	10.2
69.03427	24.0
69.07055	10.6
70.06590	4.5
71.01326	3.1
71.04992	8.8
71.53709	4.4
72.08166	4.6
73.02920	3.8
79.05489	21.3
81.03429	19.3
81.07056	52.2
83.04987	17.4
83.08636	6.6
84.04514	3.3
85.02911	58.9
85.06509	4.4
87.00833	23.3
87.26041	2.9
91.05489	17.7
93.07047	21.1
95.04975	55.3
95.08613	21.3
97.02908	23.3
97.06525	12.3
98.97609	3.3
99.04488	14.6
105.01865	22.5
105.07025	27.2
107.08602	34.5
109.02894	22.3
109.05788	5.9
109.06522	90.2
109.10158	27.6
111.08085	5.4
115.07573	5.7
117.01842	3.7
117.06995	4.2
119.08597	23.3
121.06519	4.8
121.10146	37.4
123.08057	9.3
123.11700	14.8
125.09686	3.2
127.03924	44.7
128.07117	4.6
129.01859	3.9
131.08572	24.0
133.10138	84.5
135.08043	11.2
135.11678	11.3
137.05927	3.1
137.09674	2.9
139.11195	21.6
140.65184	2.9
143.08551	5.0
145.04956	23.4
145.10136	16.3
147.11696	14.1
149.09615	5.2
149.13272	19.9
151.11200	7.8
153.09109	30.0
154.08698	4.5
158.10927	11.3
159.02888	9.6
163.11174	3.7
163.14854	5.7
165.12738	3.8
171.71950	3.0
173.13272	77.3
175.14786	3.8
191.14310	100.0
209.11760	4.4
209.15363	74.0
213.03871	3.9
227.16426	15.4
231.05022	8.9
260.09180	3.1
438.28470	4.0
440.98883	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	492.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
55.01884	3.1
55.05517	3.9
57.03435	4.0
57.07078	1.8
57.57150	0.9
59.05000	1.0
60.05667	0.9
61.02930	2.0
67.05502	3.5
68.99754	1.1
69.03432	12.9
69.07058	5.1
71.05000	3.9
71.22514	1.0
71.54150	2.0
72.08176	1.1
73.02929	1.6
73.67255	1.0
79.05495	3.4
81.03423	6.9
81.07064	11.3
83.04983	2.0
83.08631	5.9
85.02425	2.1
85.02914	27.7
85.06532	2.8
87.00839	12.5
91.05470	5.8
93.07062	10.7
95.04969	8.6
95.08625	8.6
97.02908	9.6
97.06537	17.1
99.04487	7.2
99.08130	2.2
105.01878	14.2
105.07042	16.2
107.08605	13.3
109.02884	7.7
109.06528	27.9
109.10166	9.1
111.08096	3.4
113.05992	1.4
113.09645	1.7
115.07579	10.8
119.08579	10.2
120.08093	1.2
121.10159	13.8
122.15128	1.0
123.08058	5.1
123.11711	2.8
124.07611	1.7
125.09622	2.0
127.03932	15.4
129.01863	1.6
131.08595	7.9
133.10147	56.2
135.08064	4.9
135.11693	3.1
136.05219	1.3
137.09625	2.0
139.11176	2.0
143.08675	1.1
145.04982	6.9
145.10152	4.1
147.02890	1.3
147.11702	26.2
149.09627	2.7
149.13280	4.6
151.07570	2.4
151.11208	8.0
153.09142	12.6
158.10954	2.0
159.02878	2.9
163.11293	1.4
163.14871	5.7
165.12781	5.7
167.14249	1.2
173.13277	26.9
175.14838	3.0
189.03850	1.0
191.14320	42.9
209.15390	85.9
225.14812	1.4
227.16429	74.8
231.05023	5.3
242.05695	1.5
258.05283	1.9
270.05258	8.1
287.05490	2.6
302.04181	1.2
313.03412	1.5
315.05008	27.4
316.05902	3.8
331.08154	100.0
408.60501	1.0
439.19455	2.0
456.24457	1.1
457.20578	1.7
501.11005	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
55.01868	2.9
55.05524	6.1
57.03425	5.4
59.05006	1.5
59.32580	1.3
61.02914	2.0
65.02755	1.1
65.03963	1.3
67.05501	4.4
69.03427	12.9
69.07059	7.0
70.06590	2.6
71.04350	1.8
71.04985	5.2
72.18833	1.1
73.02935	2.0
79.05501	7.8
81.03416	8.3
81.07059	12.8
81.40037	1.2
82.10625	1.1
83.04982	3.3
83.08611	5.2
85.02911	31.5
85.06559	3.8
87.00837	13.3
91.05485	9.7
93.07047	11.7
95.04968	12.5
95.08622	11.5
97.02888	11.2
97.06538	24.2
99.04489	7.6
99.08101	3.8
105.01873	15.5
105.07043	20.5
107.08604	17.4
109.02884	10.0
109.06520	37.6
109.10162	14.2
111.08081	2.6
115.07565	9.6
117.07005	2.0
119.08600	13.0
120.08138	1.5
121.06438	1.4
121.10155	20.0
123.08076	9.3
123.11704	5.3
125.09634	1.6
127.03927	20.3
127.07532	3.2
131.08589	12.1
133.10136	55.8
135.04408	1.3
135.08051	7.5
135.11671	3.8
137.05936	1.2
139.11211	2.6
145.04974	6.1
145.10117	3.7
145.19472	1.4
147.11682	35.0
149.13220	7.3
151.07649	1.3
151.11197	7.1
153.09126	15.3
158.10922	1.8
159.02908	2.3
163.14859	6.1
165.12755	13.0
167.06934	1.6
167.14326	2.6
173.13278	26.8
175.14862	3.4
191.14314	48.7
207.13863	1.3
209.15381	100.0
210.15710	1.3
225.14899	1.6
227.16431	80.1
231.05013	3.8
270.05133	2.7
271.05978	1.2
287.05292	2.2
288.06018	1.7
315.04968	5.7
331.04578	2.3
331.08188	27.9
370.54279	1.4
421.18524	1.5
439.19461	1.7
457.20816	2.8
474.25974	1.4
492.17166	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	491.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.7
55.01867	7.6
55.05275	2.3
55.05515	37.0
57.03440	15.4
57.07067	3.4
59.04996	2.9
65.03934	4.5
67.05507	66.4
69.03415	3.3
69.07078	15.6
71.04990	6.1
71.53369	2.8
79.05074	4.3
79.05501	61.1
81.03426	61.1
81.07064	61.5
83.04984	17.9
83.08617	23.9
85.06554	4.3
91.05486	96.0
93.07050	58.2
95.04980	29.9
95.08612	32.4
97.10165	15.5
103.05451	4.3
105.06326	2.8
105.07034	51.5
107.04946	10.5
107.08610	20.8
109.06509	6.8
109.10172	13.6
111.08086	7.2
115.05465	4.4
117.07014	27.6
119.04961	4.0
119.08588	28.7
121.06496	7.8
121.10133	9.2
122.69136	3.4
123.08041	6.6
123.11719	20.0
125.09634	10.6
128.06195	3.3
129.07014	30.6
131.08586	18.5
133.06522	4.7
133.10130	19.9
135.11664	4.0
137.09639	3.3
141.07018	3.0
141.09035	2.9
143.08595	16.8
145.10133	11.4
147.04427	4.4
147.08055	4.7
147.11694	29.7
149.09650	5.0
151.11145	3.4
155.08549	7.1
157.10141	10.8
161.09695	5.3
161.13226	5.8
167.08644	2.7
171.08006	4.2
171.11644	15.9
175.11249	5.5
175.82983	2.6
181.10104	3.3
185.13289	6.2
187.13290	7.2
189.11154	6.4
189.12766	7.1
193.10344	2.3
193.12219	16.3
207.13814	22.0
223.14879	2.9
227.12715	7.8
231.13898	4.3
243.15903	7.9
249.14922	12.1
267.15924	36.9
277.18243	3.2
281.17468	41.4
305.17566	9.4
363.23218	5.7
381.24167	4.6
398.26157	2.7
399.25272	9.4
445.29114	3.6
455.28134	6.7
473.22424	5.2
473.29044	100.0
491.29739	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	491.3009
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03961	5.3
55.01881	8.1
55.05516	25.3
57.03446	6.9
59.05024	2.1
62.83735	1.5
65.03957	2.6
65.05222	1.8
67.05513	44.0
68.56155	1.6
69.03442	3.7
69.07076	19.6
69.88097	3.4
69.88508	5.7
71.05003	14.5
72.08194	1.6
79.05501	48.8
79.71786	1.5
81.03434	7.7
81.07069	59.7
82.64987	1.5
83.04996	8.1
83.08627	13.9
85.02914	4.3
85.06570	7.6
91.05489	26.1
92.75813	1.6
93.07055	47.4
95.04981	18.8
95.08621	33.9
97.02904	1.9
97.06569	6.5
97.10193	20.1
103.05515	2.4
105.07056	21.6
107.04969	47.0
107.08616	21.5
108.88952	1.7
109.06538	20.4
109.10169	25.8
111.08104	5.4
111.11749	3.3
115.05517	5.4
117.07036	13.4
119.05013	2.0
119.08602	11.0
121.06534	30.4
121.10146	23.1
123.04494	3.5
123.08067	7.9
123.11746	7.7
125.09647	22.2
127.03952	2.1
129.07004	8.8
131.04974	6.5
131.08588	23.5
133.06546	6.9
133.10181	7.7
135.04402	1.7
135.08093	11.5
135.11732	5.6
137.06026	6.1
139.11259	1.9
139.58563	1.6
141.07059	5.5
143.08624	8.6
145.06528	14.3
145.10133	12.7
147.04453	3.3
147.08037	9.9
147.11777	5.8
149.06009	2.1
149.09636	8.5
149.13335	3.6
151.07574	2.4
151.14879	2.6
153.09119	3.5
155.08618	3.0
157.06583	2.8
157.10219	6.1
159.08107	7.1
159.11798	5.2
161.06030	3.2
161.09703	5.5
163.07561	2.7
163.11261	5.7
163.14804	2.2
167.10756	6.1
169.10178	3.8
171.08142	5.3
171.11780	3.4
173.09714	3.2
173.13342	7.6
175.07602	4.5
175.11212	4.3
177.12865	1.8
177.16444	2.4
181.10127	2.4
183.11728	3.4
185.09680	3.7
185.13322	2.6
187.11211	2.7
189.09499	1.8
189.11337	4.9
191.14418	6.9
193.12341	5.8
195.11803	3.2
199.11362	3.3
199.13367	4.9
201.12811	3.4
203.14339	2.2
211.14973	2.1
213.12776	2.0
215.14478	5.2
219.13792	10.2
221.15491	1.6
227.12845	4.1
231.13953	2.4
233.15477	3.6
239.92659	1.8
241.16347	2.1
241.18877	1.9
243.13936	2.3
247.13466	3.8
249.14975	5.3
255.14035	2.2
273.14990	7.8
275.16687	6.5
275.27606	1.7
287.16342	2.6
293.17664	2.6
293.28574	3.6
339.23483	4.8
349.21683	10.8
357.24213	2.1
367.22705	30.2
385.23767	34.0
399.25760	2.0
403.24905	9.8
417.26569	4.0
420.56879	2.6
441.26440	9.4
459.27484	100.0
473.24789	2.2
473.29758	2.5
491.13895	13.0
491.30353	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	491.3005
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03934	9.0
54.97865	2.1
55.01863	5.5
55.05519	28.3
57.03437	11.7
57.07072	3.0
65.03919	3.5
67.05508	60.4
69.03439	3.1
69.07056	10.9
71.04991	6.5
79.05078	3.8
79.05499	58.4
81.03421	63.1
81.06583	3.8
81.07058	65.9
83.05002	12.0
83.08633	25.4
84.08762	2.1
85.06541	4.0
91.05486	90.0
93.07048	54.5
95.04979	28.4
95.08150	2.2
95.08617	26.9
97.06507	5.5
97.10161	14.6
105.07037	44.4
107.04944	10.0
107.08583	20.4
109.06519	6.1
109.10135	9.0
111.04421	2.8
111.08105	4.4
115.05492	3.0
117.07022	21.0
119.04931	4.9
119.08584	32.4
121.06503	6.3
121.10132	8.7
123.08042	5.3
123.11707	18.7
125.09637	10.0
128.06262	3.3
129.07027	22.7
131.08578	21.8
133.06483	5.5
133.10159	14.3
135.08060	5.4
135.11667	3.4
137.09662	3.0
143.08600	14.3
145.06442	4.0
145.10153	14.5
147.08061	4.6
147.11710	30.3
149.09540	3.2
151.11177	4.4
155.08539	7.9
157.10118	10.7
159.11594	3.1
161.09595	5.3
161.13281	5.9
163.11276	2.8
169.10187	2.5
171.11665	21.3
175.11148	6.4
183.11623	4.0
185.13243	3.8
187.13229	6.9
189.11165	4.9
189.12718	7.3
193.12206	11.4
207.13786	21.4
209.13246	3.5
213.12720	3.0
227.12793	9.8
231.13777	3.5
243.15935	9.0
247.16895	3.3
249.14804	11.6
262.79120	2.8
267.15924	45.8
277.17984	2.7
281.17499	49.5
288.70267	2.7
305.17371	7.7
363.23291	5.3
381.24319	3.8
398.26447	3.8
399.25357	12.4
413.38333	3.2
421.25864	3.5
455.27798	7.6
473.29047	100.0
491.29965	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	491.3006
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
52.95106	2.1
53.03934	5.8
53.34410	2.2
53.87306	2.2
55.05512	25.1
55.79466	2.3
57.03423	10.2
59.05008	4.2
65.03946	2.9
67.05511	41.2
69.03416	2.6
69.07049	7.7
70.03445	9.3
71.04980	4.3
79.05499	43.3
81.03424	49.8
81.07063	45.5
83.04977	8.4
83.08619	19.5
87.78702	2.1
91.05482	63.2
92.54932	2.3
93.07045	39.2
95.04970	20.1
95.08605	15.0
97.02846	2.5
97.06528	4.5
97.10165	8.8
99.08048	2.6
101.36909	2.5
105.04559	2.4
105.07033	36.3
107.04944	7.3
107.08607	13.6
109.06543	6.0
109.10148	5.4
111.08106	5.2
115.05435	3.0
115.12368	2.4
117.07021	23.7
119.04945	4.4
119.08595	27.0
121.06477	5.9
121.10145	5.6
123.08056	4.2
123.11710	16.0
124.29313	2.6
125.09626	8.4
128.06215	7.9
129.07011	21.7
131.08542	10.7
132.42963	2.4
133.06520	3.8
133.10104	17.8
135.08073	2.7
137.09602	3.0
141.07007	5.8
141.61925	2.6
143.08569	9.2
145.10103	10.5
147.08064	3.2
147.11711	15.7
149.09657	3.0
155.08577	2.9
157.06470	3.5
157.10104	8.0
159.11690	3.2
161.09509	2.5
161.13261	5.1
169.10202	2.6
171.08049	4.9
171.11739	16.7
175.11160	4.4
185.13350	3.5
187.13274	6.2
189.12694	5.6
193.10669	2.6
193.12247	16.1
207.13789	14.0
227.12733	8.4
243.15858	7.2
247.16895	2.7
249.14870	10.9
267.15945	31.3
273.14972	3.2
277.17850	5.3
281.17523	36.3
283.17191	2.5
305.17471	10.3
321.36960	2.4
348.11700	2.5
363.23068	3.4
381.24213	5.2
399.11716	2.6
399.25095	9.1
455.28055	5.4
473.28970	100.0
491.30157	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	490.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.2
55.01885	7.3
55.05514	28.5
57.03441	14.9
59.05005	2.7
61.02927	4.7
65.03951	4.6
67.05508	81.8
69.03441	27.8
69.07078	43.4
70.18151	5.4
70.18573	8.6
71.04990	13.0
73.02886	4.0
79.05495	55.1
81.03416	41.9
81.06593	4.9
81.07066	100.0
83.04975	14.5
83.08231	2.6
83.08637	23.0
85.02909	41.4
85.06536	13.7
86.06883	3.2
91.05489	56.5
93.07049	63.7
95.04971	24.6
95.08060	4.4
95.08620	53.5
96.08964	3.8
97.02900	21.1
97.06538	16.0
97.10172	11.6
98.21381	4.0
99.04456	8.0
99.08110	6.5
105.07050	45.3
107.04963	14.3
107.08615	41.0
109.02889	15.7
109.06500	11.4
109.10146	17.2
111.04459	5.1
111.08075	12.8
115.05460	4.5
117.07029	14.4
119.04963	5.0
119.08604	41.2
121.06487	5.2
121.10139	25.8
123.04463	3.1
123.08072	12.9
123.11741	14.1
124.12107	3.5
125.09634	8.4
127.03927	36.7
129.07007	12.9
131.08603	16.9
133.10143	37.5
135.08121	6.7
135.11703	34.2
137.09610	7.6
143.08565	5.9
145.04964	6.0
145.10144	19.1
147.04402	12.2
147.11702	25.7
149.09602	20.3
149.13268	20.0
151.11163	3.8
157.10141	9.8
159.11705	20.3
161.13304	5.2
162.05624	2.8
163.11238	14.8
165.12767	7.9
171.11729	7.4
173.09529	3.3
173.13293	8.7
175.11186	6.2
177.12738	7.4
179.14293	4.7
181.12224	38.7
183.11691	5.0
187.11307	3.4
189.11240	3.6
193.12337	15.0
195.13820	44.1
197.13281	4.6
199.13326	14.1
207.11702	4.9
207.35283	2.8
211.13283	32.0
213.14859	9.6
223.13348	4.4
235.17006	4.1
239.18015	5.1
247.20761	3.2
249.14909	8.1
257.19019	10.3
263.20166	3.0
275.20087	90.8
288.78217	3.1
293.21124	23.8
303.15826	6.5
310.28162	3.6
321.16977	3.6
339.18301	6.8
343.17535	3.3
355.17569	5.8
451.78122	2.9
452.02536	3.4
473.37793	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53240	0.4
59.04996	1.5
71.04987	0.4
71.52879	0.5
71.53223	0.3
79.05488	0.7
81.07065	0.4
85.02892	0.5
85.06540	1.0
91.05447	0.7
93.07046	1.4
98.97582	0.5
101.06016	2.2
103.05470	6.8
107.04937	1.6
108.30045	0.3
110.79660	0.3
120.08105	100.0
121.08460	0.7
127.07544	1.3
131.04936	2.5
139.03918	0.4
140.07092	0.5
145.08609	2.6
147.04395	1.5
148.04741	0.4
149.05997	1.6
150.05461	0.6
155.75182	0.3
163.09686	3.0
166.08638	52.1
174.85349	0.3
258.06229	0.4
318.43918	0.3
380.26620	0.4
382.04047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.2
55.01885	7.3
55.05514	28.5
57.03441	14.9
59.05005	2.7
61.02927	4.7
65.03951	4.6
67.05508	81.8
69.03441	27.8
69.07078	43.4
70.18151	5.4
70.18573	8.6
71.04990	13.0
73.02886	4.0
79.05495	55.1
81.03416	41.9
81.06593	4.9
81.07066	100.0
83.04975	14.5
83.08231	2.6
83.08637	23.0
85.02909	41.4
85.06536	13.7
86.06883	3.2
91.05489	56.5
93.07049	63.7
95.04971	24.6
95.08060	4.4
95.08620	53.5
96.08964	3.8
97.02900	21.1
97.06538	16.0
97.10172	11.6
98.21381	4.0
99.04456	8.0
99.08110	6.5
105.07050	45.3
107.04963	14.3
107.08615	41.0
109.02889	15.7
109.06500	11.4
109.10146	17.2
111.04459	5.1
111.08075	12.8
115.05460	4.5
117.07029	14.4
119.04963	5.0
119.08604	41.2
121.06487	5.2
121.10139	25.8
123.04463	3.1
123.08072	12.9
123.11741	14.1
124.12107	3.5
125.09634	8.4
127.03927	36.7
129.07007	12.9
131.08603	16.9
133.10143	37.5
135.08121	6.7
135.11703	34.2
137.09610	7.6
143.08565	5.9
145.04964	6.0
145.10144	19.1
147.04402	12.2
147.11702	25.7
149.09602	20.3
149.13268	20.0
151.11163	3.8
157.10141	9.8
159.11705	20.3
161.13304	5.2
162.05624	2.8
163.11238	14.8
165.12767	7.9
171.11729	7.4
173.09529	3.3
173.13293	8.7
175.11186	6.2
177.12738	7.4
179.14293	4.7
181.12224	38.7
183.11691	5.0
187.11307	3.4
189.11240	3.6
193.12337	15.0
195.13820	44.1
197.13281	4.6
199.13326	14.1
207.11702	4.9
207.35283	2.8
211.13283	32.0
213.14859	9.6
223.13348	4.4
235.17006	4.1
239.18015	5.1
247.20761	3.2
249.14909	8.1
257.19019	10.3
263.20166	3.0
275.20087	90.8
288.78217	3.1
293.21124	23.8
303.15826	6.5
310.28162	3.6
321.16977	3.6
339.18301	6.8
343.17535	3.3
355.17569	5.8
451.78122	2.9
452.02536	3.4
473.37793	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71606	1.5
53.03932	1.9
55.05499	4.7
61.02927	3.0
67.05495	5.3
68.99789	1.9
69.03435	12.5
69.07059	3.2
69.60304	2.3
69.60710	7.6
70.05481	1.6
71.04981	4.4
72.08157	2.0
73.02907	1.8
73.84780	1.5
74.12560	1.6
79.05520	4.0
81.03420	9.3
81.07063	6.1
83.04978	3.5
83.08608	8.0
84.04459	1.6
85.02907	29.6
87.00843	10.4
87.04460	6.0
91.05472	6.3
93.07056	4.8
93.70480	1.5
95.04972	25.6
95.08621	7.9
97.02890	11.4
97.06532	2.2
99.04449	15.2
105.01879	6.8
105.07042	5.6
107.08596	44.5
109.02899	7.7
109.06517	7.3
109.10147	4.0
111.04413	2.4
111.08078	3.7
113.06010	1.7
119.08581	4.9
121.06451	2.8
121.10139	11.3
123.08072	100.0
123.11704	6.6
125.06001	3.7
125.09638	27.4
127.03944	8.0
131.08553	3.3
133.10130	3.5
136.07675	1.8
137.05969	3.4
137.09622	3.4
139.11172	5.0
145.04973	2.5
145.10132	3.1
147.08041	2.8
147.11694	4.0
149.09618	42.5
149.13188	1.9
151.07564	5.7
153.09138	2.0
159.02855	3.0
163.11214	2.0
165.09128	6.4
165.12764	3.9
167.10658	13.8
183.13745	4.1
189.12769	9.7
191.07094	2.2
191.10640	8.8
207.13791	16.3
225.14853	93.1
235.13330	10.0
237.14784	9.1
249.14896	32.6
261.14969	4.5
267.15912	4.7
273.14795	2.9
279.15912	2.6
291.15894	8.1
293.21078	2.2
315.15924	3.5
333.16684	2.1
419.17123	2.3
437.18048	9.8
438.76483	1.8
455.19104	6.7
490.31439	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	490.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
55.01868	1.9
55.05503	2.6
57.03436	2.6
61.02914	1.2
66.80358	0.9
67.05509	2.0
69.03430	5.9
69.07069	2.2
69.27471	3.0
69.27901	4.9
71.04974	2.3
73.02927	2.4
79.05492	2.1
81.03423	7.2
81.06628	0.8
81.07034	4.4
83.04997	4.5
85.02912	26.7
87.00838	6.0
91.05489	2.5
93.07069	4.1
95.04966	1.9
95.08595	3.2
97.02893	9.5
97.06518	2.8
99.04441	1.9
105.01859	5.5
105.07042	4.7
107.08605	5.6
109.02882	9.8
109.06526	12.7
109.10178	3.0
111.08091	4.5
119.08606	6.2
121.10154	13.0
123.08077	5.7
123.11732	15.2
127.03934	10.8
129.01845	1.1
131.08507	1.1
132.09349	0.8
133.10124	2.3
135.08038	2.2
135.11711	1.8
137.09628	24.1
137.13287	1.8
145.04993	2.8
145.10098	1.3
147.08058	1.9
147.11708	15.3
149.02332	0.9
149.09654	5.4
151.07582	1.0
159.02867	2.8
159.08054	1.2
160.08839	0.9
161.13281	6.6
163.11215	1.6
165.12770	100.0
171.11697	2.4
174.10445	1.5
179.14293	8.5
189.12762	16.0
207.13829	56.3
213.03894	2.1
231.05048	6.1
254.42998	1.0
382.88858	0.8
438.06802	0.9
490.28000	1.0
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
53.03946	1.7
55.01866	1.3
55.05514	13.0
57.03433	3.5
57.07079	1.7
60.59566	0.8
65.03940	1.8
67.05508	36.9
69.07072	10.7
71.05013	1.8
79.05499	17.7
81.07062	27.6
83.04989	1.9
83.08622	7.0
85.06543	1.3
87.04478	2.8
88.04817	1.5
91.05484	17.5
93.07051	23.5
95.04942	1.4
95.08614	19.8
97.06525	3.0
97.10179	4.5
99.08106	1.0
103.05470	1.0
104.31950	0.9
105.04489	1.1
105.07036	21.4
107.08603	12.3
109.06518	1.1
109.10164	15.8
111.08102	1.8
117.07012	7.2
119.08582	24.1
119.69407	0.7
121.06536	0.8
121.10141	9.4
123.08073	1.6
123.11756	1.9
125.09629	2.2
129.07002	5.1
130.07765	0.9
131.08557	14.1
133.10139	14.6
135.08012	1.0
135.11697	6.2
137.09627	1.5
137.13283	1.0
139.11215	1.4
141.07001	2.0
142.07803	1.7
143.08568	7.6
145.10129	16.1
147.04407	1.0
147.11678	7.1
149.09666	1.2
149.13263	2.0
155.08565	2.9
157.10139	5.4
159.11676	11.0
161.13252	5.6
163.14856	1.9
163.83368	0.8
169.10118	2.8
171.11627	5.1
173.11769	3.3
173.13293	8.2
175.14874	2.8
183.11693	4.0
185.13290	5.9
187.14835	4.6
189.16452	1.1
195.11765	1.6
197.13304	2.7
199.14828	4.6
201.16504	1.4
206.09306	0.8
211.14894	2.6
213.14729	1.2
213.16495	1.8
215.18124	1.5
225.16527	1.4
255.21071	1.2
259.20566	1.4
261.22238	1.8
267.21283	1.2
271.20526	1.6
273.22043	1.1
281.22699	0.9
285.22305	2.3
313.25287	1.2
317.24881	2.3
348.66550	0.8
377.27011	2.3
379.30038	10.7
391.28592	1.5
397.31030	18.1
415.32339	2.4
433.33038	1.2
435.32401	1.0
447.30826	1.0
471.34793	15.8
489.35818	100.0
490.36212	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	489.3577
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03938	1.7
55.01855	1.4
55.05511	11.6
57.03439	3.8
57.07073	2.1
59.05000	1.9
65.03934	1.6
67.05507	57.1
69.07066	8.0
70.10695	0.6
71.04986	2.6
73.58794	0.7
77.03977	0.8
79.05494	21.6
81.07059	25.9
83.04990	1.0
83.08612	6.6
85.06537	2.4
91.05479	18.8
91.06017	1.4
93.06476	1.6
93.07048	25.0
93.07631	1.5
95.04987	2.1
95.08607	20.9
97.06536	2.4
97.10174	3.6
99.08086	1.0
105.04543	0.7
105.07036	17.2
107.08601	13.5
109.06464	1.1
109.10161	30.5
111.08088	1.7
117.07023	7.0
119.06038	0.8
119.08586	19.8
121.06522	1.1
121.10153	11.0
123.08089	1.3
123.11711	2.1
125.09651	2.1
129.06993	2.8
131.08580	10.8
133.10146	11.5
135.08110	0.8
135.11711	7.2
137.09651	1.8
139.11182	1.6
141.07056	1.1
143.08524	3.6
145.10127	10.7
147.04382	0.8
147.11684	9.5
149.13269	3.9
151.11330	0.8
155.08606	2.7
155.10678	2.0
157.10141	3.9
159.11720	8.0
161.09676	0.9
161.13272	5.3
163.14835	1.3
169.10155	1.9
171.11684	3.2
173.11758	10.4
173.13290	7.4
175.14839	3.0
177.12691	0.8
183.11693	2.2
185.13249	4.7
187.14891	1.7
189.16418	0.8
197.13301	1.6
199.14813	1.3
211.14938	1.1
213.14874	2.3
223.15009	0.9
227.17915	1.0
229.14365	0.9
229.32706	0.9
239.18129	1.1
241.19562	1.3
259.20575	1.0
261.22165	3.0
277.21741	1.0
285.22235	1.1
299.23654	1.2
317.24750	1.3
379.30060	6.1
391.28702	0.8
397.30963	8.7
415.32367	1.9
433.33331	1.3
435.32458	1.0
471.34833	7.6
489.35806	100.0
490.36227	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3578
Annotation	Cimigenol
Peak:m/z	Relative Intensity
51.32407	0.8
53.03934	2.3
53.19410	0.6
55.05270	0.9
55.05517	13.0
57.03423	3.0
57.07064	2.5
59.04999	1.9
63.53867	0.8
64.40750	0.8
65.03939	2.3
67.05510	59.6
69.03428	0.9
69.07069	11.0
69.64845	1.8
69.65253	2.8
71.04987	2.5
78.20085	0.7
79.05499	23.5
81.03403	1.2
81.07063	30.4
83.05008	1.1
83.08632	6.1
84.08857	0.7
85.02878	0.8
85.06535	2.6
85.97873	0.8
91.05491	18.2
92.63622	0.9
93.07050	24.9
95.04983	1.9
95.08616	22.1
97.06544	2.2
97.10186	3.0
105.07037	16.9
107.08595	16.7
109.06544	0.7
109.10163	33.0
111.08075	2.2
117.07034	6.6
119.08581	21.9
121.10146	11.3
123.08038	1.4
123.11698	1.7
125.09636	1.6
127.05480	0.8
129.07014	3.5
131.08586	10.2
133.10143	10.9
135.08122	0.9
135.11711	7.5
137.09593	1.9
139.11163	1.6
141.06993	1.3
143.08568	4.4
145.10129	12.2
147.11690	7.9
149.13298	4.3
151.11133	1.3
155.08582	1.6
155.10663	2.7
157.10167	3.7
159.11714	8.2
161.13313	4.1
163.14861	1.7
169.10164	2.0
171.11731	4.2
173.11765	9.0
173.13298	5.9
175.14867	2.3
183.11760	2.2
185.13327	2.9
187.14847	2.5
195.11732	0.9
197.13298	2.5
199.14903	2.5
211.15004	0.9
213.14789	1.7
225.16399	1.6
233.09166	0.8
243.21167	1.1
259.20624	2.0
261.18701	0.7
261.22198	3.6
271.20636	0.9
273.22223	0.8
299.24014	1.7
317.24796	1.7
377.27023	1.1
379.29996	4.8
397.31088	11.5
415.32166	2.3
433.33276	0.9
453.33835	1.7
471.34802	8.9
482.85117	1.0
489.35791	100.0
490.36209	2.4
514.79352	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3579
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03945	1.9
55.01859	1.9
55.05517	12.7
57.03448	3.9
57.07072	1.6
59.04998	1.2
65.03942	2.0
66.35983	0.8
67.05511	45.8
69.07078	10.4
71.04986	2.5
73.19212	0.9
79.05502	18.7
81.07066	25.4
83.05009	1.9
83.08624	6.0
85.06533	1.4
90.34973	0.8
91.05486	18.8
93.07043	23.3
95.04959	2.3
95.08617	20.7
97.06537	3.4
97.10181	3.2
98.20741	2.0
105.07043	16.4
107.08601	15.4
109.06522	0.8
109.10165	23.0
111.08094	1.9
114.91093	0.8
115.05474	1.0
117.07030	7.8
119.08594	20.5
121.10152	11.9
123.11713	2.0
125.09642	1.9
129.07014	3.7
131.08574	13.6
133.10139	12.9
135.11713	7.1
137.09573	1.7
139.11226	4.1
139.19824	0.9
141.06992	1.1
141.91382	0.9
143.08563	3.7
145.10136	12.8
147.04395	1.3
147.11693	10.1
149.13280	3.2
155.08603	2.2
155.10640	1.0
157.10141	5.3
159.11688	9.3
161.13283	5.2
163.11270	0.9
163.14835	1.1
169.10143	2.1
171.11696	4.9
173.11754	5.1
173.13289	5.5
175.14882	1.9
181.10231	1.0
183.11726	3.0
185.13281	2.9
187.14841	3.0
195.11707	0.9
197.13402	2.1
199.13216	0.8
199.14870	2.5
201.16383	1.8
201.96532	0.8
211.14900	1.0
213.14847	3.0
213.16623	1.4
225.16467	1.6
227.17984	1.4
239.18150	1.1
240.56305	0.9
241.19693	1.1
259.20578	2.4
261.22137	1.3
271.20450	1.1
299.23730	1.1
317.24890	1.2
363.25739	0.8
375.98505	0.8
377.27020	1.4
379.29926	7.7
391.28564	1.6
397.30991	12.2
415.32233	3.5
471.34973	13.1
489.35806	100.0
490.36090	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	489.3577
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03943	2.0
55.01880	1.4
55.05512	13.7
57.03435	4.6
57.07073	2.1
59.05001	2.3
65.03938	1.8
67.05508	60.5
69.07080	10.2
71.05009	2.0
71.08645	1.7
79.05501	22.3
81.06585	1.8
81.07062	30.6
83.08622	8.3
85.02931	1.6
85.06563	1.5
85.64614	1.1
91.05490	21.3
93.07043	27.8
94.46466	1.1
95.04990	1.7
95.08613	24.6
97.06550	2.2
97.10183	3.2
98.20758	3.4
105.07034	18.0
107.08600	14.7
109.06539	1.7
109.10162	34.7
111.08108	2.0
112.12762	1.1
117.07040	7.1
119.08587	20.8
121.10137	11.4
123.08064	1.7
123.11714	1.1
125.09657	1.7
129.07010	3.3
131.08571	14.9
133.10138	14.8
135.11678	5.5
137.09599	1.7
139.11200	2.3
143.08589	6.3
145.10129	11.4
147.11688	8.6
149.13280	4.4
155.10693	2.1
157.10124	2.9
159.11710	8.3
161.13283	5.0
163.14824	1.4
169.10146	2.2
171.11729	5.1
173.11757	7.9
173.13304	6.4
175.14827	3.5
183.11700	2.7
185.13290	3.0
187.14845	3.7
195.11650	1.3
197.13277	1.2
199.14847	3.8
201.16452	1.6
211.14851	1.7
213.14833	1.9
227.18022	1.6
239.23997	1.3
243.20992	1.7
259.20587	2.2
261.22079	3.1
285.22052	2.0
313.27814	1.3
317.24585	1.4
363.25000	1.3
379.29843	8.8
397.31046	9.1
415.32263	2.9
433.33371	1.5
471.34845	8.6
489.35803	100.0
490.36221	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	489.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.01881	0.4
55.05513	3.9
55.79758	0.2
57.03438	2.6
63.08809	0.3
64.05443	0.3
65.03929	1.2
67.05508	14.1
69.07078	4.1
69.59566	0.8
69.59999	1.0
71.04981	0.3
79.05068	0.4
79.05499	6.7
81.07061	15.7
81.87456	0.3
82.49993	0.2
83.04958	0.4
83.08629	3.5
85.06536	0.9
90.89017	0.3
91.05489	14.5
93.07048	7.6
95.04989	0.6
95.08613	14.6
97.06542	2.4
97.10165	1.5
98.20788	0.6
99.08081	0.6
102.98713	0.2
105.07050	2.3
107.08600	4.7
109.09465	0.5
109.10169	6.9
109.91279	0.3
111.08108	1.8
117.07056	0.7
119.04955	21.5
119.08592	2.4
121.10146	6.1
123.04442	0.5
123.08052	0.3
123.11716	3.2
125.09615	0.5
129.05505	0.5
131.08580	1.8
133.10138	4.6
135.11702	5.5
137.09610	1.0
137.13271	0.9
139.11177	0.3
145.10150	1.5
147.04417	100.0
147.11684	1.3
148.04758	0.3
149.13251	1.4
151.11206	2.0
159.11711	0.9
165.05486	11.6
169.12282	0.4
173.13243	0.7
177.12749	0.3
181.12271	0.5
185.05994	0.4
187.14883	0.6
195.13811	0.5
205.19301	0.3
215.17950	4.5
221.08121	0.8
233.19008	5.1
235.20561	1.1
251.20087	7.3
269.21072	0.3
289.21606	0.5
307.22733	0.7
325.23740	23.0
326.23779	0.3
367.18356	0.3
471.27524	0.3
489.28384	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	489.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90690	2.9
55.05503	29.8
57.03425	4.0
57.07067	14.7
67.05511	38.6
69.03412	4.2
69.07074	50.3
71.04990	7.4
71.08616	5.6
79.05495	24.2
81.03422	7.2
81.07064	94.2
83.04984	4.9
83.08617	29.4
85.02901	16.0
85.06533	10.9
91.05493	23.9
93.07053	39.3
95.04947	5.6
95.08618	100.0
97.02898	6.7
97.06513	9.1
97.10194	18.9
99.08101	5.5
102.57228	3.1
102.79364	3.7
105.07059	24.5
107.04918	3.0
107.08601	39.5
109.02912	3.9
109.06541	3.2
109.10172	47.9
109.10858	6.1
111.08089	12.2
111.11713	14.4
117.07008	4.6
119.08593	23.3
121.10168	27.1
123.08060	5.3
123.11733	31.3
125.09635	6.4
125.13239	6.6
127.03930	3.7
131.08502	4.9
133.10146	16.2
135.11728	19.8
137.05922	5.8
137.13275	14.7
145.10153	3.5
147.11693	9.9
147.58144	3.3
149.13271	40.3
151.11157	5.5
151.14784	6.7
157.10229	3.5
158.23479	4.2
161.13249	5.0
163.14807	15.7
165.12743	6.9
165.16376	5.2
167.07085	5.7
167.14334	8.6
175.14882	4.0
177.16394	6.4
189.16425	4.1
203.17952	4.5
205.49742	3.4
217.19560	4.5
223.20592	6.6
273.25723	14.3
273.81863	3.4
279.26804	21.7
280.17920	3.3
291.26822	21.5
297.28061	7.0
309.27863	32.0
327.29263	4.5
417.29654	4.1
489.17242	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	488.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03173	0.4
53.03941	0.9
55.01873	0.5
55.05505	0.6
57.03441	0.5
57.07068	1.4
65.03935	0.7
67.05520	0.6
69.03419	1.4
70.06589	0.6
71.54035	0.6
79.05495	0.5
81.03414	1.6
81.07072	0.9
83.04996	0.5
83.08627	1.3
85.02897	3.4
87.00830	1.7
91.03951	0.4
92.81290	0.4
97.02885	1.8
99.04485	0.8
105.01862	1.0
105.07043	0.7
107.08584	0.6
109.02873	1.2
119.08608	0.7
121.02905	2.6
121.12106	0.5
127.03953	2.2
133.02835	0.4
133.10091	0.5
135.11743	0.4
144.69478	0.4
145.05028	1.0
149.02351	100.0
151.86676	0.4
159.02887	0.9
167.03427	1.1
190.05115	0.5
205.08595	4.3
223.09677	18.2
231.04958	0.5
240.16766	0.6
244.07013	0.4
285.07614	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.3
55.01867	0.7
55.05515	3.1
55.90046	0.2
56.95382	0.2
57.03439	2.4
57.07085	0.3
65.03941	1.1
67.05507	10.8
69.07077	2.9
70.07205	0.7
70.07615	0.6
71.04978	0.3
75.16060	0.3
79.05058	0.2
79.05499	5.4
81.07062	11.1
83.04975	0.5
83.08619	2.7
85.06540	0.6
91.05484	11.1
93.07050	6.2
95.08612	10.7
97.06550	1.0
97.10191	1.4
98.20825	0.3
105.04519	0.3
105.07040	1.9
107.08584	3.1
109.06465	0.4
109.10162	5.3
111.08083	1.2
116.32253	0.3
117.07016	0.4
119.04950	17.5
119.08584	1.7
121.10154	4.6
123.04421	0.4
123.11715	2.1
125.09601	0.3
129.05563	0.6
131.08565	0.9
133.10127	3.4
135.11702	3.3
137.09605	0.7
137.13275	0.5
137.75838	0.3
145.10124	1.0
147.04417	100.0
147.11676	0.7
149.13277	1.2
151.11206	1.1
155.10628	0.3
159.11691	0.6
165.05486	17.0
165.12825	0.3
166.35930	0.3
173.13284	0.3
187.14944	0.3
195.13765	0.3
215.17998	2.3
221.08163	1.6
233.18964	3.0
235.20621	0.5
251.20084	3.7
289.21606	0.3
307.22513	0.5
325.23749	17.5
471.27325	0.6
489.28595	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	487.3421
Annotation	CHEBI:67946
Peak:m/z	Relative Intensity
52.67600	2.5
53.03944	6.4
55.01871	10.3
55.05515	42.0
55.14883	2.5
56.53745	2.9
56.69909	2.7
57.07071	6.1
59.05018	3.0
65.03934	5.1
67.05508	75.6
69.03423	4.4
69.07072	40.3
69.32928	4.5
69.33327	18.6
69.44970	2.5
71.04992	4.3
75.73180	2.3
79.05499	44.6
81.03428	6.8
81.07059	75.3
83.04990	7.7
83.08624	23.2
85.02896	5.1
85.06541	5.1
86.09655	3.0
91.05486	62.9
93.07052	48.0
95.04977	9.8
95.08610	45.5
96.14689	2.6
97.06531	11.3
97.10184	14.8
98.20646	2.5
99.04494	2.7
105.07028	55.3
107.04966	11.3
107.08596	36.1
109.06505	7.4
109.10162	28.0
111.08093	4.6
115.05493	3.7
117.07010	26.6
117.07600	2.2
119.08588	48.8
121.06506	5.9
121.10150	23.3
123.08093	10.1
123.11744	8.4
125.09630	9.6
128.06268	3.8
129.07013	22.2
130.07784	3.1
131.08571	40.6
133.06517	5.3
133.10127	40.1
135.08063	5.6
135.11693	8.6
137.09731	2.7
141.06989	4.8
142.07794	4.5
143.08606	22.0
145.06480	5.3
145.10123	36.6
147.08067	8.0
147.11693	21.0
149.09634	14.4
149.13313	6.0
151.11217	4.5
155.08556	12.1
156.09416	3.4
156.23596	2.8
157.06570	3.1
157.10175	13.4
159.08044	3.2
159.11732	18.0
161.13257	9.4
163.11249	5.2
163.87552	2.9
165.12830	4.7
167.08517	5.9
168.80618	2.8
169.10120	13.6
171.08151	3.0
171.11697	24.4
173.09653	4.8
173.13321	8.7
175.11279	5.8
177.12752	3.6
181.10185	7.4
183.11696	12.8
185.09737	3.4
185.13307	12.0
187.11241	6.0
187.14853	3.1
189.12703	3.0
189.45805	2.9
190.75600	2.5
195.11739	7.1
197.09602	3.1
197.13316	9.0
199.11255	4.9
199.14874	8.2
209.13327	6.0
211.14795	5.3
213.12794	3.6
213.16457	4.6
219.17484	2.9
221.13361	3.0
221.15451	2.8
225.16377	3.9
239.17998	6.4
257.19022	4.5
259.20712	4.1
275.20081	42.8
277.21600	3.8
283.20526	2.7
285.18484	4.1
299.23788	5.6
301.21753	5.7
313.21695	3.0
315.19043	2.8
325.21756	2.9
325.27289	8.2
327.23178	4.3
350.99588	3.1
355.26712	4.4
375.25488	4.4
391.25528	3.6
415.30154	3.7
417.26675	5.7
423.32855	4.4
433.31015	21.5
441.33566	5.3
451.32153	30.8
459.34790	8.4
469.26575	5.0
469.33218	84.4
487.34235	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3422
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.03946	6.8
55.01868	9.8
55.05274	3.0
55.05518	44.0
56.96567	5.5
57.03430	5.5
57.07061	2.5
61.02925	2.8
65.03933	4.5
65.08763	3.0
67.05508	86.5
69.03415	6.4
69.07069	30.7
71.04976	8.1
71.54288	2.8
73.06473	2.4
75.47173	2.2
77.03881	2.4
79.05497	66.0
81.03413	10.9
81.07063	97.7
83.04980	10.7
83.08621	18.2
85.02902	5.4
85.06532	6.8
87.04508	3.5
91.05488	87.6
93.07044	67.5
95.04978	18.1
95.08618	49.0
97.06544	11.9
97.10169	12.9
103.05465	2.4
105.04474	3.0
105.07037	84.9
107.04961	12.1
107.08603	39.9
109.02884	2.8
109.06513	10.6
109.10168	27.1
109.16792	2.1
111.08070	4.4
111.11682	2.6
115.05441	3.6
117.07031	28.5
119.04861	2.7
119.08585	65.4
121.06493	10.1
121.10145	22.8
123.08065	9.8
123.11726	13.0
125.09649	4.3
128.06224	5.8
129.07007	30.6
131.08574	40.6
133.06522	4.7
133.10138	52.9
135.08018	7.9
135.11682	12.9
137.09525	2.9
141.06966	6.4
142.07747	4.9
143.08559	24.8
145.06499	8.1
145.10121	32.8
147.08022	6.3
147.11694	47.6
149.09631	13.5
149.13240	4.3
151.11250	2.8
155.08565	15.2
156.09343	2.4
157.10114	23.6
158.11009	3.2
159.08028	3.5
159.11703	23.8
161.09593	6.7
161.13232	10.4
163.11217	2.5
165.12724	15.7
167.08542	6.6
169.10156	18.6
171.08073	2.6
171.11717	22.9
173.09650	4.1
173.13243	9.9
175.11194	5.5
177.12718	4.4
179.14291	2.6
181.10115	8.4
183.11720	15.8
183.13994	3.1
185.13232	10.5
187.11098	4.0
187.14806	2.7
189.12720	3.9
195.11731	10.8
195.13754	4.2
197.13228	8.4
199.14914	4.2
201.12843	3.1
204.62822	2.4
207.11800	4.1
207.13800	9.6
209.13255	7.0
211.14796	4.7
213.16356	4.3
223.14926	4.1
225.16595	2.8
229.14304	5.1
239.17953	3.3
257.18964	5.4
261.18671	4.8
263.20026	4.8
267.09052	9.3
269.10312	3.1
271.16956	3.1
273.18652	3.5
275.17291	4.6
275.20062	61.8
285.10129	12.2
291.19498	4.9
299.20016	3.9
301.21716	2.9
303.19479	3.2
312.86148	2.5
313.21576	4.5
315.23279	3.9
321.22180	4.3
324.11255	3.0
325.21689	2.7
406.11661	2.8
415.29715	6.0
423.32516	6.5
433.30975	18.7
443.31363	3.1
451.32236	30.0
452.03775	2.5
453.21490	2.7
459.34567	5.9
469.33316	71.6
487.34601	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.342
Annotation	Sandorinic acid B
Peak:m/z	Relative Intensity
51.60096	2.6
53.03942	7.4
55.01872	7.0
55.05517	40.3
56.77273	2.7
56.96560	6.1
57.03433	8.7
60.32714	2.6
61.02922	5.0
65.03939	2.9
67.05509	78.2
69.03435	6.5
69.07079	32.7
71.04991	8.0
71.08600	2.9
73.02917	2.9
79.05070	4.6
79.05499	75.6
81.03412	11.8
81.07064	95.2
83.04981	12.3
83.08635	21.1
85.02890	7.4
85.06535	8.3
91.05489	85.8
93.07053	64.2
95.04985	17.3
95.08619	56.9
97.02889	8.5
97.06526	10.0
97.10164	11.6
98.97590	4.8
105.07036	80.6
107.04971	10.2
107.08598	37.2
109.06517	9.0
109.10167	22.6
111.08034	4.2
115.05446	3.7
117.07027	26.4
119.08595	63.9
121.06503	7.9
121.10155	25.3
123.08076	9.0
123.11713	9.7
125.09637	6.3
128.06259	5.0
129.07002	26.8
130.07611	3.5
131.08582	34.7
133.06525	6.5
133.10149	48.4
135.08072	5.3
135.11679	10.4
137.09596	4.6
141.06995	8.1
142.07791	7.0
143.08568	25.8
145.06500	4.2
145.10126	37.4
147.04510	3.5
147.08028	9.3
147.11708	47.5
149.09618	8.6
149.13260	7.4
151.11189	5.7
155.08530	13.3
156.09497	2.6
157.10149	23.3
158.27129	3.2
159.08072	7.9
159.11700	22.6
161.09621	6.8
161.13243	12.4
163.11172	6.5
165.12737	13.3
167.08556	4.1
168.09384	3.6
169.10130	14.2
170.99600	2.6
171.11700	28.4
173.11853	5.0
173.13301	9.9
175.11108	5.9
177.12791	4.5
177.51620	3.0
181.10135	6.1
183.11705	12.5
185.13251	11.9
189.12708	4.5
195.11720	5.8
195.13817	4.3
197.13297	9.5
199.14824	4.7
207.13840	11.0
209.13268	7.7
221.13208	3.4
239.18076	4.5
243.09013	3.2
259.20636	4.3
267.09070	9.5
275.20108	60.3
285.10117	11.5
299.20035	4.1
301.21646	5.6
311.20026	4.5
313.21735	6.0
315.10867	4.6
315.23297	3.5
321.22342	3.1
324.11478	5.5
327.23004	5.1
331.15952	3.1
362.32047	3.0
415.29709	3.5
423.32538	5.2
433.31177	16.0
441.33499	4.8
443.31165	3.7
451.32065	38.9
453.20969	3.6
455.33411	3.3
459.34521	4.1
469.33246	64.2
487.34683	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45708	1.1
51.02378	1.4
53.03706	0.9
53.03951	10.0
55.01886	4.1
55.05514	23.3
57.03431	3.5
57.07072	1.5
65.03941	4.0
67.05507	69.9
69.03429	1.9
69.07069	14.2
69.54685	5.5
71.04995	3.1
71.89653	0.9
73.06555	3.3
77.03929	1.5
79.05496	100.0
81.02978	1.3
81.03423	14.0
81.07059	53.6
83.04988	20.1
83.08619	8.3
85.02919	1.2
85.06558	3.1
91.05484	85.1
93.07048	76.3
95.04974	29.7
95.05566	2.0
95.08611	34.8
97.02895	1.5
97.06528	6.1
97.10168	3.0
98.21494	1.1
99.08148	0.9
101.06080	1.1
103.05446	1.9
105.04523	2.6
105.07035	61.8
107.04958	10.3
107.08601	23.8
109.06531	8.5
109.10164	6.5
111.08111	2.3
113.06010	0.9
115.05482	2.5
117.07034	12.8
119.08590	32.4
121.06519	4.3
121.10162	7.6
123.08060	9.2
127.07569	1.5
128.06253	5.7
129.07018	25.1
130.07751	1.2
131.08585	6.3
133.06528	1.2
133.10130	14.2
135.08073	1.1
135.11728	2.6
141.09079	1.1
143.08571	11.8
145.10112	14.4
147.08055	3.2
147.11694	45.2
159.11699	2.1
161.09616	4.9
161.13268	17.9
163.11174	3.3
165.09131	0.9
169.10172	1.1
171.11694	40.5
179.14368	4.8
189.12756	18.7
207.13811	53.7
225.14853	7.9
263.16425	2.2
273.18484	1.0
281.17429	5.2
309.16968	0.9
389.98788	0.9
469.29614	2.8
487.30585	84.1
488.30737	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	487.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87007	0.9
51.02372	2.2
53.03948	10.4
53.81211	1.0
54.72216	0.9
55.01872	4.0
55.05270	1.8
55.05514	23.2
57.03428	1.5
57.07072	1.7
65.03957	5.4
67.05511	72.2
69.03423	1.6
69.07072	12.5
71.04980	3.3
71.53806	1.3
73.06547	3.3
73.65554	1.1
77.03915	2.5
79.05499	100.0
81.03423	15.7
81.07063	61.6
83.04984	16.6
83.08633	9.5
83.85131	1.2
85.06535	3.3
91.05488	87.2
93.07050	75.3
95.04974	30.4
95.08615	37.5
95.09227	0.8
97.02876	2.0
97.06545	8.2
97.10174	5.8
103.05457	2.7
105.04534	3.0
105.07038	61.0
107.04955	9.6
107.08595	23.4
109.06529	9.4
109.10157	6.6
111.08104	2.4
115.05463	3.6
115.30096	1.1
117.07037	16.1
119.08590	38.9
121.06496	4.0
121.10146	6.2
123.08089	10.1
124.87325	1.2
127.07519	2.6
128.06195	5.2
129.07014	23.6
131.08574	6.2
133.06473	1.8
133.10133	14.8
135.08060	1.9
135.11687	2.6
137.09532	1.8
139.05029	1.2
143.08578	15.1
145.10141	12.3
147.08046	3.2
147.11696	47.9
153.95369	1.0
155.08530	1.9
157.10115	1.3
159.11717	2.3
161.09644	8.3
161.13254	21.0
163.11201	3.1
171.11705	45.9
179.14360	2.7
189.12755	18.3
198.15219	1.1
207.13809	55.0
225.14790	8.3
263.16461	3.8
281.17490	5.6
309.16791	1.3
353.61847	1.1
469.29349	2.5
487.30484	97.5
488.30298	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2156
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
55.05505	0.6
56.17134	0.2
57.99276	0.3
67.05496	0.5
69.07061	1.5
72.00831	0.2
72.08161	0.3
79.05490	0.3
81.07062	2.2
83.04951	0.4
83.08643	0.3
85.02906	0.9
85.06540	0.4
86.09682	0.5
93.07069	1.2
95.08624	1.5
97.06514	0.6
98.20801	0.7
105.07055	0.4
107.08601	1.1
109.10165	0.8
111.11713	0.3
119.08578	0.8
121.10159	0.6
123.11735	0.7
127.03916	0.5
128.07019	0.4
128.86812	0.3
133.10127	0.3
135.11697	0.8
137.06010	0.3
137.09604	0.3
137.13261	0.4
139.11256	0.4
143.10629	0.3
147.11713	0.3
157.26849	0.3
159.11725	0.3
185.04230	0.4
203.17943	0.3
221.19063	0.4
239.20210	0.4
251.11357	0.4
277.08823	0.3
295.26370	0.3
307.26334	0.7
325.16257	2.4
325.27267	0.4
443.22580	5.4
487.21524	100.0
488.21954	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	487.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	12.6
53.04477	2.3
55.01855	8.0
55.05510	22.5
57.03421	2.2
57.07068	2.7
64.48978	2.1
65.03934	3.9
65.48858	2.2
67.05506	71.9
69.03411	4.6
69.07069	19.4
71.04967	3.3
71.53828	3.1
72.44775	2.0
73.06538	5.5
75.62957	2.2
77.03896	2.4
79.05495	100.0
81.03418	12.7
81.06592	4.3
81.07060	67.2
83.04977	16.6
83.08608	10.2
85.02901	3.4
86.01579	2.3
87.04391	2.3
89.67830	2.4
91.05483	83.1
93.07047	74.7
93.89483	2.2
95.04975	33.6
95.08611	36.6
97.02858	4.0
97.06516	8.9
97.10143	5.8
103.05436	2.5
105.04470	4.2
105.07036	63.6
107.04961	11.5
107.08601	24.3
107.13018	2.1
109.06498	8.0
109.10133	8.1
111.08070	3.2
115.05421	2.9
117.07025	13.4
119.08569	36.6
121.06496	7.0
121.10131	9.7
123.08071	8.8
123.11669	2.2
127.07539	3.3
128.06146	6.1
129.07005	22.8
131.08551	6.3
133.06483	2.7
133.10152	17.9
135.11674	5.1
137.06041	2.1
137.09651	2.4
140.39607	2.0
141.06934	3.0
143.08592	13.1
145.10112	17.1
147.04466	4.3
147.08023	5.6
147.10513	2.7
147.11682	51.6
150.02385	2.2
159.11731	2.4
161.09564	4.2
161.13248	24.7
163.11198	4.7
171.11694	38.0
189.12744	12.9
207.11920	3.6
207.13803	54.7
225.14844	6.7
248.88011	2.9
275.20135	2.6
281.17630	4.8
487.30444	84.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53480	0.2
55.01867	0.3
55.05490	0.2
57.03444	1.8
61.02935	0.2
61.85116	0.2
67.05499	0.2
68.99802	0.3
70.06594	0.4
71.05000	11.8
71.52377	0.4
72.08151	0.3
73.02902	0.2
75.04486	0.5
81.03385	0.2
83.04975	0.5
85.02912	13.2
86.09702	0.8
87.04469	0.5
91.01864	0.2
99.04449	0.3
102.93996	0.2
109.02872	0.3
111.04413	0.6
113.37459	0.2
116.07088	0.2
119.04944	0.2
127.03887	0.3
129.05484	3.8
129.10217	0.3
137.02319	0.2
137.05962	0.3
147.04414	0.7
147.06526	0.7
158.97508	0.3
164.07031	0.3
179.03409	100.0
180.03763	0.7
198.96912	2.6
216.97992	1.6
240.98058	0.4
274.80121	0.2
302.17224	0.2
325.14127	0.3
341.08701	11.9
343.01178	0.2
385.02264	0.4
487.19498	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	1.0
69.03427	1.0
69.07067	1.2
71.53387	0.5
74.85693	0.3
79.05492	0.4
81.03408	0.8
81.07059	1.4
83.08650	0.4
85.02914	1.7
85.06556	0.5
87.00829	0.5
91.05493	1.0
93.07052	1.3
95.04934	0.5
95.08600	1.3
95.48369	0.4
97.02927	0.9
97.06548	0.5
105.07033	1.3
107.08598	1.4
109.02906	0.4
109.10188	0.7
119.08611	0.7
121.10168	0.9
125.09701	0.5
127.03922	0.9
133.10136	0.6
134.43103	0.4
145.04997	0.5
147.08105	0.4
147.11734	0.7
149.09702	0.4
155.08496	0.3
161.13359	0.5
203.17975	0.4
221.19037	0.6
227.05334	0.7
239.16287	0.9
239.20065	0.5
245.06232	0.4
251.07260	0.4
267.15503	0.4
271.04385	0.5
289.05264	0.6
307.25909	0.5
313.16183	2.5
337.16208	0.4
340.21741	0.4
355.17319	4.2
366.33670	0.4
399.16287	3.1
401.21432	3.3
404.73175	0.4
443.22552	13.2
487.21542	100.0
488.21927	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30600	1.1
54.63094	0.9
54.95778	0.9
55.05500	4.1
57.03447	7.9
57.07082	26.3
67.05505	8.7
69.07072	5.4
71.08634	21.1
71.53146	1.5
73.59499	0.9
74.42171	1.0
76.94346	1.0
81.07063	8.0
83.08617	5.0
85.10192	9.8
88.19717	1.0
89.06017	2.3
95.08618	11.7
97.10180	3.7
98.98473	10.1
103.04801	1.0
105.03500	1.1
105.07033	1.9
105.47435	1.0
107.08605	1.2
109.10166	6.4
123.11721	1.2
137.13216	1.0
155.01038	6.4
173.01967	1.1
236.70238	1.1
239.23688	1.6
268.78439	1.3
313.27386	100.0
314.27643	1.7
393.23764	1.5
449.26477	3.0
485.28534	3.2
485.47647	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06737	0.9
53.03939	1.6
54.08628	0.8
55.01868	2.3
57.03443	5.5
61.02938	6.5
67.05501	1.0
67.60155	1.0
68.51414	0.8
68.99808	0.8
69.03436	13.5
70.06584	1.3
70.80672	0.9
70.80991	1.5
71.01345	1.1
71.04991	2.0
72.64867	1.0
73.02930	6.4
77.29031	0.9
81.03425	5.9
81.07050	3.4
82.71714	0.7
83.01347	1.5
83.04980	1.0
84.04495	1.0
85.02913	100.0
86.09711	1.3
87.04466	2.5
91.03975	6.7
93.07055	1.1
95.01340	21.6
95.08609	1.2
97.02899	26.7
99.00820	2.5
99.04465	3.4
101.02402	1.8
103.03957	3.9
105.07033	1.0
107.08618	1.0
109.02892	7.4
113.02346	3.5
115.00545	0.9
115.03981	1.3
119.08565	1.0
127.03925	31.3
131.03381	1.1
133.10185	0.9
137.13266	1.2
141.01839	70.7
145.04971	66.9
158.02681	2.0
159.02910	16.3
163.06032	29.4
165.12781	1.1
177.03943	3.1
184.07109	0.8
192.27884	0.8
193.06424	4.7
205.57301	0.8
217.10411	0.8
285.06152	1.6
287.73615	0.9
321.08075	5.0
367.30997	0.8
476.96484	0.9
487.12076	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42813	1.5
55.01857	2.4
55.05508	7.0
57.03427	8.1
61.02920	7.6
67.05499	10.1
69.03436	13.5
69.07077	28.8
71.04996	3.3
72.31461	1.9
72.69054	1.9
73.02911	5.6
79.05495	4.3
81.02451	2.1
81.03415	7.3
81.07089	4.9
85.02914	100.0
86.09718	5.5
91.03954	6.4
91.05454	2.5
93.07038	3.7
93.49940	1.9
95.01331	21.9
97.02913	28.5
99.04469	3.3
101.02402	2.2
103.03943	5.6
104.10759	2.3
105.07026	2.7
107.08558	3.4
109.02870	7.0
109.10165	3.9
111.11724	13.2
119.08623	2.3
124.99985	2.0
127.03938	35.0
131.52066	1.9
133.10141	2.0
135.11685	4.3
141.01836	74.0
145.04973	64.2
145.10146	3.3
147.11678	2.0
159.02878	16.3
163.06042	29.5
163.11223	7.7
172.12206	2.2
177.03979	3.5
184.07378	16.2
193.12225	2.2
214.74232	1.9
229.14403	5.3
237.14874	5.1
243.15918	3.2
249.96718	2.2
255.13602	2.2
255.16035	8.2
269.17569	2.8
282.75699	2.3
287.18106	3.3
321.08099	7.4
398.20969	2.3
431.22855	2.1
440.23337	2.7
484.22137	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	485.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01242	0.8
55.84290	0.9
56.77998	0.9
61.02949	0.8
67.05512	2.3
69.03427	1.7
70.06563	1.6
71.05006	1.2
71.52629	1.1
72.08168	1.0
79.05502	1.4
81.07064	1.4
85.02902	2.2
87.67939	0.9
91.05442	1.1
94.06557	2.4
96.08133	1.2
97.02876	1.7
105.07053	1.2
107.08629	1.2
108.08121	8.9
110.06053	2.5
117.05617	1.0
118.06538	3.4
119.04861	2.0
119.07323	1.4
120.08113	4.1
122.06026	1.9
124.07594	6.1
128.07135	1.0
136.07582	49.5
142.08624	7.0
146.06027	2.6
146.08424	1.2
147.04420	4.3
147.05553	0.9
148.07619	2.4
154.08618	2.6
164.07068	23.6
173.10745	3.0
181.08789	1.3
196.11261	1.4
198.11467	1.2
201.10170	3.2
211.08521	1.5
212.09207	1.5
213.10315	3.7
213.13966	3.0
224.10739	1.7
225.10226	1.3
226.10982	5.4
240.12624	1.2
241.09644	3.0
241.13385	17.2
254.10521	1.7
259.14395	18.8
269.12875	22.9
287.13892	20.5
305.14951	100.0
323.12579	1.1
323.16061	2.4
485.16498	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05270	1.5
55.05516	22.0
57.03443	7.8
57.07079	9.1
67.05505	3.6
69.07076	23.8
69.17013	3.1
69.17446	5.1
71.08640	6.6
79.02718	0.8
79.05490	2.1
81.07071	4.1
83.08621	18.7
85.10192	1.8
85.42415	0.8
93.07047	3.3
95.08636	2.5
97.06556	2.8
97.10172	12.3
98.20753	1.2
98.98464	9.1
107.08587	2.3
109.10168	1.6
111.08058	1.6
111.11725	3.6
121.10172	3.1
123.11749	1.0
125.09663	1.2
125.13229	0.8
135.11697	2.5
149.13271	1.0
155.01068	5.1
176.07700	0.9
222.70670	0.8
237.22125	1.9
239.98665	0.8
311.25827	100.0
312.26196	1.1
435.09079	0.9
447.24948	3.3
483.34875	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60025	0.6
53.03940	2.0
55.01878	1.8
55.05515	4.3
57.03434	4.3
59.05009	0.9
61.02929	7.6
67.05514	3.1
68.99808	0.7
69.03081	1.0
69.03432	12.3
69.07072	25.4
69.36104	4.9
71.01357	1.2
71.04981	2.1
71.53032	0.6
73.02922	5.7
79.05493	1.6
81.03412	5.1
81.07070	2.1
83.01336	0.6
83.04993	0.8
85.02908	100.0
85.06544	0.7
86.09704	1.5
87.04474	2.1
91.03951	5.7
91.05466	0.8
93.07061	2.0
95.01334	22.8
95.05033	0.9
95.08623	1.0
97.02896	28.6
97.03529	1.4
99.00817	2.0
99.04444	3.3
101.02403	1.2
103.03924	3.6
105.07037	0.8
107.08605	0.9
109.02881	6.3
109.10165	2.3
111.11730	10.9
113.02374	4.4
115.04000	0.7
119.08596	1.5
121.10153	0.9
123.00858	1.2
125.00002	1.2
127.03919	29.4
131.03436	3.0
131.08546	0.6
135.11716	2.4
135.86023	0.6
141.01831	79.7
145.04965	65.3
145.10173	1.6
159.02913	16.2
163.06026	34.3
163.11145	3.6
177.03960	3.7
177.05339	0.7
184.07414	4.7
192.48970	0.6
229.14392	1.8
237.14922	2.1
239.21689	0.7
243.05135	0.6
249.34860	0.8
255.15932	7.2
285.06006	1.5
287.14868	1.0
303.07135	1.2
321.08127	5.3
339.09341	0.8
343.74249	0.6
435.66260	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1505
Annotation	(+)-4'-Methylgallocatechin 3'-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
56.48737	1.2
61.02907	1.3
67.05508	5.2
69.03435	2.8
71.31229	1.2
71.53941	1.8
85.02908	10.5
92.32423	1.4
95.04982	1.4
97.02896	4.1
100.96881	1.2
107.04981	2.1
109.10163	3.4
110.03681	2.6
111.04459	4.1
112.18561	1.5
118.06529	2.5
119.04967	4.5
123.04465	2.0
127.03920	2.4
127.11189	2.9
133.02873	3.5
135.04442	6.3
137.05949	1.5
138.03133	6.5
139.03920	79.3
141.01869	3.4
145.04993	3.6
146.06058	5.4
147.04428	12.6
151.03886	2.7
153.05484	100.0
163.03871	7.3
167.07053	2.0
177.05501	3.5
181.04898	1.8
183.06560	6.4
188.07079	7.9
195.06537	3.2
205.09747	3.9
208.84006	1.4
209.08115	2.1
303.08603	7.8
314.06317	1.4
321.09714	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	483.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01873	3.2
55.05514	2.3
57.03430	3.7
61.02926	7.7
65.03938	3.1
67.05510	84.0
69.03439	12.0
70.06571	1.7
70.12324	5.4
71.05016	2.5
73.02917	3.6
79.05518	1.8
81.03420	4.8
81.07072	6.2
83.08646	8.5
85.02912	89.4
85.06548	26.0
86.27422	1.7
91.03944	5.7
95.01334	22.0
97.02909	23.5
97.06995	1.7
98.86371	1.7
99.04447	4.8
103.03925	3.9
109.02901	5.3
109.10167	100.0
113.02363	3.1
114.18320	1.6
115.03875	1.7
119.04940	4.8
127.03916	20.1
127.11198	47.0
137.05991	2.3
139.03975	2.0
141.01839	62.7
145.04971	52.0
147.04431	22.9
159.02919	14.2
163.06029	25.7
177.03926	2.7
226.42651	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	483.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.6
58.23962	0.4
67.05501	0.9
69.03424	0.6
69.07085	0.6
69.53893	2.4
75.42986	0.4
79.05487	0.4
81.07067	0.9
85.02915	0.7
85.06535	0.4
91.05472	0.5
93.07059	0.6
95.08595	1.0
105.07040	0.6
107.08611	0.5
119.04969	0.5
119.08564	0.4
121.10150	0.4
131.24493	0.4
133.10129	0.7
135.11662	0.5
139.03922	0.4
145.10175	0.4
149.09589	0.5
156.13882	1.0
161.09645	0.5
184.13353	0.4
192.07864	0.5
203.05363	0.8
208.98840	0.4
217.15892	0.9
235.16957	1.2
259.07874	1.0
321.16614	2.0
379.49426	0.4
410.29880	0.4
410.98627	0.4
438.33813	0.3
439.22940	0.6
483.22049	100.0
484.22372	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.12
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02782	1.5
56.96555	1.8
69.03434	4.3
81.03410	2.6
82.99863	3.8
85.02901	4.6
91.05453	2.5
97.02898	4.5
98.97590	4.4
101.00884	18.9
104.26558	1.4
109.02838	2.3
113.00852	8.1
115.02421	3.7
116.98620	1.4
119.01918	20.1
119.04977	3.4
127.02426	4.5
127.03915	3.8
128.07074	1.5
131.01921	13.8
133.03513	7.0
139.02394	3.7
139.03815	1.4
143.01898	24.6
143.02942	2.8
145.03511	12.5
147.04366	12.7
148.04666	1.8
149.03040	1.7
150.52162	1.6
155.01889	26.9
157.03482	11.0
158.99673	1.9
159.01393	2.3
159.05121	1.6
161.02962	18.5
167.01923	14.6
169.03513	4.9
171.05052	2.5
171.39743	1.6
173.02975	32.8
175.04610	7.6
175.46277	1.3
177.02463	3.8
179.01918	5.7
181.03513	1.6
183.01421	4.3
183.04971	3.0
185.02966	39.4
187.04558	5.4
189.06082	2.0
191.03967	2.4
196.04716	1.7
197.02962	15.9
201.00850	2.1
201.02461	55.1
201.06084	5.9
203.04022	12.6
209.02893	2.0
209.63181	1.5
211.00784	1.4
213.02438	12.0
215.03972	10.0
215.07495	1.6
217.05676	2.5
219.03514	64.1
221.05089	4.5
227.04068	13.5
231.03539	5.7
231.07115	2.2
235.06638	4.5
237.02521	2.8
243.03464	3.0
245.05084	100.0
246.05350	2.3
247.02715	1.9
249.04564	5.4
253.07729	4.6
255.03526	4.8
257.05157	4.6
261.02649	1.4
261.04660	13.6
263.06021	9.8
275.03360	2.2
275.06067	11.8
277.07629	8.0
279.05618	4.8
281.07178	1.9
291.09369	3.7
293.07254	4.4
295.08795	7.0
303.05704	27.8
303.09006	3.1
305.07236	10.3
307.08664	2.1
321.06741	39.9
321.10269	3.7
331.05124	2.0
335.08188	6.1
347.08206	1.9
349.05975	3.1
363.07718	5.5
365.09348	18.4
381.08783	4.3
393.08670	1.9
409.07932	1.9
423.09668	3.2
483.11868	32.0
487.89252	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	483.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	8.0
57.03446	2.2
60.04493	2.1
61.02901	2.3
61.06697	1.6
69.03436	8.9
73.02903	2.5
77.80901	2.0
81.03414	3.5
82.99866	2.4
83.08342	1.6
84.08129	2.1
85.02908	16.7
85.59234	1.5
91.05490	6.8
97.02889	10.2
98.97597	32.6
99.04449	2.1
101.00889	15.2
102.00943	1.8
103.02497	2.1
103.89456	1.7
106.05033	3.0
109.02881	3.2
110.97575	5.2
112.99149	1.6
113.00874	5.2
115.02419	2.1
116.98629	11.5
119.01927	18.2
119.04957	12.1
123.04494	2.4
126.85405	1.7
127.02438	4.1
127.03921	8.5
128.04260	1.8
128.98630	4.4
131.00150	2.1
131.01906	14.1
133.03485	2.9
136.06192	2.6
139.02429	3.2
139.03899	7.7
143.00220	2.7
143.01907	25.4
145.01659	3.8
145.03448	12.2
145.04961	2.7
147.01488	1.9
147.04401	39.8
148.04744	3.0
149.02940	2.4
153.05376	2.3
155.01913	25.7
157.01642	1.7
157.03482	7.9
158.99648	13.5
161.02962	23.7
167.01892	13.9
167.06859	1.8
169.03462	7.8
170.99631	2.7
171.05025	3.3
173.01436	2.4
173.02980	34.0
174.99184	2.0
175.02814	2.0
175.04478	3.3
177.00726	9.9
177.02519	4.6
177.05481	4.6
179.01924	4.5
183.01437	4.4
183.05032	3.2
184.04617	2.5
185.02959	41.6
187.02957	2.3
187.04520	10.0
189.04358	3.1
191.02232	2.2
191.04057	1.8
197.02991	15.7
197.27434	1.6
199.04492	2.1
201.00810	3.7
201.02466	52.0
201.06094	7.4
203.04012	15.9
205.03714	2.4
208.41864	1.9
209.02922	4.4
213.02429	9.6
215.04034	10.7
219.01772	7.3
219.03546	73.5
221.05183	7.8
221.07190	1.9
223.04796	3.3
227.04085	9.3
229.05307	2.2
231.03511	9.6
237.02654	12.4
237.04376	1.5
239.04308	1.8
242.05074	2.1
243.03546	3.1
243.07315	1.8
245.05101	100.0
249.04552	4.6
255.03566	7.2
257.04950	6.6
261.04691	12.9
263.06207	12.7
275.06104	12.7
276.06900	2.5
277.07709	2.7
279.05719	3.4
285.04605	2.6
291.07343	3.9
293.07248	3.1
295.08554	1.8
303.05725	26.3
303.08997	3.5
305.07373	10.6
305.10358	2.4
309.08563	16.9
321.06689	42.1
321.10098	2.2
335.08102	5.2
343.31689	2.0
365.09189	10.8
377.06009	1.9
465.13434	2.7
483.11832	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	482.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43380	0.7
53.03939	1.3
55.01862	2.6
55.05519	3.5
57.03430	3.7
61.02916	2.5
65.03930	0.8
67.05508	9.7
69.03422	5.1
69.07080	3.8
71.04988	2.2
71.54378	1.1
73.02908	0.9
79.05498	14.0
81.03416	3.0
81.07059	23.5
81.37946	0.7
83.04971	3.0
83.08626	2.5
85.02905	16.4
85.06534	1.6
89.03931	1.4
91.05489	7.8
93.07040	4.4
95.04980	3.0
95.08612	5.3
97.02894	6.6
97.06535	2.4
99.04459	2.8
99.08096	1.4
102.93290	0.7
103.03941	1.1
105.07041	15.4
107.04961	24.5
107.08613	5.0
109.02874	2.7
109.06510	1.3
109.10156	1.6
111.08099	1.2
117.03394	5.2
119.08585	8.5
121.06543	2.0
121.10141	9.0
121.32898	1.0
123.04435	100.0
123.11725	9.7
124.05273	3.9
125.06008	1.6
127.03929	4.5
127.07539	1.2
133.06529	4.8
133.10139	2.0
135.04385	0.9
137.05989	3.7
137.13258	0.9
139.07565	0.8
141.09055	1.0
145.02852	15.5
145.04929	2.1
147.04398	1.4
147.11693	27.9
149.05998	9.4
152.04678	1.8
153.05400	0.9
157.10129	1.1
161.05986	8.0
165.05443	1.1
165.12755	13.0
167.07050	91.0
168.07396	0.8
175.11232	1.5
177.05478	32.9
180.08719	2.6
181.08626	2.8
183.13875	1.7
184.27115	0.8
193.08649	3.6
193.12259	1.2
229.14310	4.9
235.80104	0.8
267.15930	22.1
267.18906	1.1
285.16971	78.3
286.17276	1.2
303.12286	23.1
321.09900	1.1
339.10986	1.1
416.93030	0.7
435.52316	0.8
438.21747	1.3
482.20859	7.9
482.27451	1.1
483.14960	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08362	0.6
55.05515	2.5
57.03428	3.2
61.02916	1.8
66.97611	0.6
67.05500	8.8
69.03417	1.0
69.07076	4.9
69.80185	3.3
70.06564	0.6
70.93465	0.5
71.04983	1.9
73.02911	0.8
79.05491	4.8
81.03448	0.6
81.07061	26.8
83.04980	1.8
83.08620	2.8
85.02907	3.1
85.06535	2.1
87.68876	0.6
91.03960	1.3
91.05488	8.6
93.07044	4.2
95.04974	0.8
95.08606	5.9
97.02882	1.2
97.06524	1.9
99.08097	1.9
101.05988	0.7
105.07030	12.8
107.08591	5.5
109.06493	2.8
109.79693	0.6
111.08065	0.7
119.08590	11.2
121.10149	9.8
123.04454	5.3
123.08074	1.8
123.11720	12.9
127.03896	0.7
127.07583	1.4
129.06937	0.8
131.08566	1.0
133.10019	1.1
137.05980	7.4
137.13298	1.5
138.03110	1.1
145.04915	0.7
147.11694	31.8
153.05484	6.7
157.10115	1.2
163.07574	1.7
165.12756	15.0
167.07021	6.1
175.11232	1.8
179.07082	0.9
182.61507	0.7
183.13853	1.7
193.12231	1.4
203.15906	0.6
211.13278	1.4
229.14346	6.2
267.15912	39.5
268.16113	1.0
270.50122	0.7
285.16971	100.0
286.17325	2.0
286.72739	0.7
303.12415	3.4
303.18027	0.7
482.20853	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.01866	3.6
55.05518	8.6
57.03434	4.6
57.07075	10.2
59.04985	2.4
59.75670	1.5
61.02927	4.0
68.68655	1.7
69.03437	16.5
69.07076	47.5
69.60100	1.4
70.10931	4.2
70.11276	2.6
71.04998	7.1
71.08643	8.4
73.02927	4.2
73.06557	9.5
79.70358	1.5
81.03419	12.6
83.08618	2.5
83.92493	1.4
85.02913	46.4
85.10183	3.5
87.00838	23.0
89.06044	22.1
91.05505	1.5
97.02901	27.2
99.04466	7.5
104.59536	1.5
105.01880	33.9
109.02890	14.2
111.11729	74.5
117.01877	3.1
127.03928	34.8
127.04821	3.0
129.01817	2.0
129.12766	100.0
145.04974	22.8
159.02924	8.6
169.18147	1.6
199.16913	18.3
217.17995	20.4
231.05014	13.5
237.14841	1.5
249.06113	4.5
359.17126	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	480.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	7.4
55.34863	3.3
57.03435	3.2
67.05515	26.1
69.07073	5.9
70.49045	7.7
79.05496	18.2
81.07059	27.1
83.08622	4.4
91.05492	20.7
92.05814	3.4
93.07023	15.8
95.08600	13.0
105.07037	16.7
107.08600	9.2
109.10152	6.5
117.07060	6.1
119.08595	16.8
121.10161	6.7
129.07010	9.5
131.08542	16.2
133.10136	9.4
143.08554	8.6
145.10109	6.7
155.08595	3.9
157.10144	8.8
157.62042	3.8
159.11682	6.0
161.13130	3.8
232.59735	3.6
308.29639	6.0
353.24811	5.0
371.25961	8.4
389.26776	11.3
418.28012	4.2
445.29565	100.0
462.28723	3.9
463.30557	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	480.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
55.01873	5.0
55.05499	9.4
57.03432	5.3
57.07076	6.5
57.88932	1.9
58.74274	1.8
59.31755	2.4
60.04521	2.3
61.02914	5.3
66.13098	2.0
67.05513	19.0
69.03436	40.7
69.07063	11.6
71.04980	7.5
71.54443	3.4
73.02910	5.2
79.05493	5.8
80.05028	2.1
81.03424	24.5
81.07067	36.1
82.99023	2.2
83.08642	14.2
85.02911	100.0
85.06544	2.7
87.00838	47.0
91.05470	8.3
93.07042	9.0
95.04943	3.7
95.08613	56.4
97.02906	31.8
97.06503	2.7
97.10168	12.5
99.04472	12.5
99.08080	4.9
105.01871	90.0
105.07011	3.5
107.04956	3.3
107.08561	4.2
109.02882	28.8
109.06519	3.7
109.10162	54.5
111.38967	2.3
115.11237	4.2
117.01814	2.3
117.07008	2.5
119.08579	4.8
120.08099	5.0
121.08444	2.5
121.10132	5.9
123.04419	2.5
123.08070	2.8
123.11717	59.2
125.05928	2.5
127.03925	80.6
129.01859	4.4
133.10170	5.0
135.08061	3.1
135.11681	4.0
137.05965	7.7
137.13263	21.5
139.14836	2.8
145.04970	32.5
145.10042	3.8
151.07661	2.1
153.05379	2.4
159.02899	10.5
162.16248	2.1
166.35767	2.0
167.07074	9.3
168.07391	6.7
177.16466	4.0
179.14363	5.2
179.17975	60.6
189.03891	2.7
191.06880	2.4
195.13724	2.7
197.15306	9.2
197.19014	69.8
199.80209	2.3
206.39415	2.2
213.03978	6.7
214.18616	2.3
215.16415	6.0
231.05014	39.3
249.06078	33.7
252.11395	2.6
269.12329	4.7
270.12595	6.0
277.23575	2.0
317.06384	2.5
318.06735	5.3
318.10309	7.2
427.23184	3.8
436.20493	3.3
445.24280	2.1
480.19006	9.6
480.29474	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	480.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.9
55.01857	7.6
55.05512	16.1
57.03430	6.5
57.07063	5.8
61.02920	6.4
65.03946	2.0
65.96593	2.2
67.05510	27.6
69.03428	21.9
69.07062	9.4
69.99118	10.2
69.99487	4.5
73.02915	4.3
77.97816	2.6
79.05482	4.4
81.03419	17.7
81.07058	53.3
83.08618	15.8
85.02907	81.0
86.09749	2.5
87.00835	40.1
91.05419	3.6
93.07026	4.2
95.04951	3.4
95.08070	3.4
95.08612	62.0
97.02891	24.6
97.10178	16.8
99.04446	7.8
105.01191	4.9
105.01867	79.7
105.80383	2.5
107.08642	3.9
109.02881	19.5
109.10158	80.4
115.11185	3.6
119.08576	5.6
121.10144	3.5
123.10822	5.3
123.11705	100.0
127.03918	55.0
132.91885	2.5
137.05962	4.3
137.13255	37.0
145.04959	30.2
147.08229	2.5
159.02884	8.0
161.13239	5.8
166.08578	2.5
179.14307	4.7
179.17952	75.0
187.18900	2.2
197.15375	10.5
197.19006	75.1
215.16455	4.6
231.05034	22.4
249.06094	31.6
300.05862	3.6
301.06348	3.1
302.06290	2.8
316.09122	3.5
317.09155	7.4
318.09439	9.9
374.56989	2.6
480.19464	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	480.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37661	1.1
53.03943	5.1
55.01864	6.0
55.05517	9.5
55.80594	1.2
57.03434	7.6
57.07069	6.7
58.96751	1.2
61.02916	5.2
67.05510	15.6
68.99793	1.8
69.03431	33.8
69.07071	8.4
69.32940	3.1
69.33369	7.6
70.06586	2.6
71.04986	4.6
73.02930	4.2
75.34933	1.4
79.05492	3.6
81.03416	19.1
81.07057	43.2
83.04955	1.7
83.08624	12.4
85.02906	100.0
87.00830	46.7
87.09453	1.2
91.03941	1.5
91.88859	1.3
93.07063	4.0
95.04969	2.0
95.08608	54.6
97.02281	2.3
97.02890	30.7
97.10171	16.4
98.20782	2.6
99.04446	12.9
99.08114	1.5
101.02372	1.4
105.01870	92.8
105.06993	2.0
107.08580	5.7
108.04478	4.4
109.02878	25.4
109.10156	63.7
115.11207	2.5
117.01861	1.8
121.10143	3.4
123.11706	67.7
127.03919	73.3
129.01801	2.8
133.10088	1.6
135.11696	3.5
137.13248	27.6
139.14867	2.0
144.44246	1.4
145.04956	36.0
145.10127	2.0
147.02867	2.3
159.02910	9.4
163.11195	8.1
177.16423	1.8
179.16380	2.9
179.17950	55.9
181.12222	2.6
189.03967	2.4
193.76175	1.3
197.15376	1.7
197.19003	49.8
213.04018	5.9
220.78806	1.3
227.12799	12.0
231.04997	33.6
249.06085	24.7
274.04578	1.4
275.04990	2.6
283.15433	24.9
302.04141	2.9
303.04602	5.6
317.06564	7.1
318.06943	18.7
318.12677	1.5
391.20999	1.6
445.24524	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	480.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	5.5
58.06609	1.8
60.05662	4.8
60.05924	1.0
68.05029	1.1
70.06596	16.4
74.06085	4.8
76.05138	1.2
80.65279	0.9
84.04507	2.5
85.02905	2.7
86.03573	2.8
96.05661	1.1
97.02911	1.1
97.07664	8.9
103.05485	0.9
105.03402	2.3
107.04926	1.0
111.09214	3.1
116.07121	1.6
117.05601	1.6
119.04952	1.3
120.04480	6.1
120.08138	1.0
127.03922	1.6
129.10254	46.4
131.04936	1.3
131.39957	1.0
132.04442	5.0
132.08127	2.1
133.02837	1.4
134.06042	1.2
137.05994	1.4
145.05022	0.9
146.06030	2.1
147.04445	2.6
155.06992	1.7
155.08165	13.2
158.06044	8.6
161.05989	3.2
165.05554	1.2
167.07043	2.2
177.05411	1.7
189.10246	2.2
214.12918	1.2
227.09164	0.8
230.12898	100.0
231.11351	8.1
248.13960	99.1
248.16656	1.4
269.99762	1.1
274.11951	5.3
302.15039	1.6
318.06924	1.6
331.17542	1.1
333.19684	2.2
377.18207	42.5
378.16757	2.1
395.19305	30.7
462.26602	2.8
480.21384	2.4
480.27545	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	479.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.3
55.01876	1.1
55.05515	5.1
57.03449	3.5
61.02940	1.7
67.05514	10.3
68.32274	0.9
69.03436	2.6
69.07094	2.3
71.05015	1.8
71.07610	2.1
75.04523	1.0
77.60307	0.9
78.97935	1.0
79.05502	11.3
81.03425	100.0
81.07060	10.6
83.04980	4.5
83.08625	23.1
85.02940	4.1
86.09750	1.7
90.09310	0.9
91.05492	14.5
93.07036	6.5
93.88136	0.9
94.97672	0.9
95.04977	29.9
95.05564	1.9
95.08640	2.6
97.02936	3.3
97.06532	1.7
97.10185	1.6
100.48013	0.8
105.07050	9.5
107.04971	8.9
107.08631	3.5
109.02915	1.5
109.06523	2.4
111.04485	2.2
111.08092	9.7
119.04995	1.2
119.08604	11.1
120.08150	1.5
121.06537	2.4
121.10162	5.2
123.04491	2.0
123.08121	1.2
125.09727	1.1
129.07007	9.1
131.08603	7.9
133.06535	3.7
133.10150	5.0
136.44060	0.9
137.06052	1.4
137.09608	1.0
137.23993	1.1
142.07802	1.6
143.08586	0.9
145.10115	1.1
146.67354	1.0
147.08067	4.1
147.11700	9.2
149.06020	1.3
149.09627	5.3
157.10130	10.5
157.11148	1.0
163.33147	1.0
165.12790	2.4
175.11220	14.3
177.16554	1.0
193.12263	85.4
211.13312	7.1
235.13388	3.3
259.13327	1.8
265.42563	1.1
267.15933	58.9
273.14938	1.7
274.04807	2.0
285.16995	55.5
299.18652	1.5
301.14169	1.7
302.04254	10.1
306.87119	1.1
309.16992	11.3
317.06595	39.5
363.18192	2.2
375.18121	3.6
393.19348	2.2
418.89865	1.0
429.21198	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	479.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
55.01857	2.6
55.05507	6.3
57.03444	7.3
61.02922	3.0
65.03936	1.1
66.63600	1.0
67.05503	9.6
69.03422	4.9
69.07066	2.8
70.06584	1.5
70.16697	4.2
71.04996	2.6
72.08173	1.2
73.02915	1.0
79.05500	10.1
81.03424	100.0
81.07062	11.8
83.04980	4.5
83.08623	22.3
85.02907	8.5
85.06535	2.8
86.09670	1.5
91.05486	16.7
92.93355	1.2
93.07050	7.2
94.06709	1.1
94.07368	1.0
95.04980	26.5
95.08599	5.4
97.02905	5.8
97.06548	1.3
97.10185	2.1
99.04498	1.1
99.08111	1.3
101.09897	1.2
105.07043	8.6
107.03136	1.0
107.04960	8.3
107.08614	5.4
109.02898	1.4
109.06521	3.1
109.10143	3.5
111.04482	2.2
111.08100	14.5
115.05428	1.2
116.76729	1.0
117.07010	3.0
119.08585	10.1
121.06532	1.6
121.10140	6.4
123.04437	3.6
123.08061	1.3
123.11716	1.4
125.09578	1.6
127.03942	3.3
129.07005	6.8
131.08557	7.9
133.06467	2.3
133.10120	5.6
137.06029	2.4
137.09666	1.5
142.07805	2.1
145.10124	1.8
147.08037	2.2
147.11691	7.9
149.09615	5.5
150.03246	1.3
151.78127	1.1
153.01852	4.0
157.10152	12.5
165.12674	2.1
166.49075	1.3
167.07076	1.6
175.11209	13.7
193.12262	90.3
196.27655	1.2
211.13295	7.8
235.13264	3.8
246.15414	1.3
257.04303	1.5
259.13129	2.5
267.15936	60.2
268.07413	2.1
273.14941	1.6
274.04794	5.3
285.16971	54.8
299.09207	3.9
301.14395	2.7
302.04248	18.6
307.92966	1.1
309.16977	11.3
317.06586	74.7
317.09900	3.7
363.18057	1.7
375.18097	2.6
411.20020	1.9
429.21292	4.0
461.23798	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	479.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87866	0.2
51.48656	0.2
55.01866	0.4
56.18934	0.2
57.03421	0.7
61.02930	6.6
65.01254	0.2
65.03937	0.4
67.05522	0.4
69.03428	1.2
69.55688	0.5
69.56087	1.4
72.89779	0.2
73.02923	1.5
79.07916	0.3
81.03423	3.2
81.07075	0.5
83.08595	0.7
85.02431	0.4
85.02908	6.1
85.70770	0.2
86.00178	0.2
91.03956	3.6
91.05462	0.3
92.02614	0.9
93.03397	0.7
93.07043	0.2
95.04970	0.9
97.02892	3.5
99.04442	0.3
109.02856	0.5
111.08114	0.3
121.02867	0.9
121.10104	0.3
127.03922	0.8
139.03922	0.6
144.81876	0.2
145.04996	0.7
146.63565	0.3
147.11752	0.3
151.03911	0.4
153.01833	6.4
153.03015	0.5
157.10127	0.4
165.01813	0.5
175.11244	0.4
177.05457	0.3
193.12292	2.9
201.05504	0.6
203.03400	0.5
217.04875	0.6
218.05815	0.7
219.30515	0.2
228.04187	1.2
229.05000	3.5
231.02766	0.4
245.04524	1.3
246.05202	1.3
257.04453	2.2
261.07623	0.3
267.15857	1.9
273.03906	1.4
274.04715	4.1
284.03146	0.4
285.03940	3.7
285.16943	1.6
302.04218	12.2
309.16977	0.3
317.06564	100.0
318.06790	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	479.1187
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03943	0.4
53.60894	0.2
55.01870	0.4
57.03416	0.5
61.02939	2.1
65.82005	0.3
69.03437	2.6
69.91257	0.6
69.91653	0.5
71.04980	0.7
73.02919	0.7
77.38322	0.2
81.03421	1.1
85.02912	9.2
85.03440	0.4
87.04475	0.6
91.03957	0.9
92.02628	0.7
93.03419	0.6
97.02889	3.4
99.04465	0.7
109.02879	1.0
112.33508	0.2
121.02876	0.9
127.03910	1.7
132.08809	0.3
139.03900	1.0
145.04964	1.9
151.03845	0.5
153.01831	6.6
165.01846	0.7
201.05493	0.9
203.03398	0.3
217.04971	0.7
218.05803	0.6
228.04160	0.8
229.04950	2.4
231.02809	0.4
232.03499	0.3
245.04448	1.1
246.05252	1.5
256.03757	0.3
257.04510	2.5
273.03882	1.3
274.04727	4.1
284.03259	0.3
285.03915	4.0
302.04236	10.8
317.06564	100.0
318.07050	0.5
333.05780	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2114
Annotation	Rhodamine B
Peak:m/z	Relative Intensity
53.03945	0.6
55.01861	1.8
55.05512	5.3
57.03437	4.9
57.07062	0.5
65.03934	0.5
66.83419	0.4
67.05510	15.9
69.03427	1.0
69.06728	0.6
69.07076	8.7
71.01357	0.5
71.04994	2.1
71.53833	0.7
73.02931	1.0
74.08594	0.4
77.03964	0.4
77.17778	0.4
79.05495	8.1
81.03418	0.7
81.07060	48.2
82.07397	0.8
83.04980	4.3
83.08621	6.0
85.02914	3.0
85.06549	2.9
87.89758	0.5
91.05487	14.1
93.07051	7.5
95.01310	1.8
95.04971	1.9
95.08608	11.0
97.06536	4.6
97.10191	0.6
99.04495	0.7
99.08104	3.4
101.06010	0.7
103.03957	0.6
105.07038	22.3
107.08599	7.6
109.06535	4.4
109.10130	1.3
111.08057	0.8
113.02378	1.3
113.06000	1.7
116.03481	0.5
119.08587	17.6
121.10147	14.8
123.08107	2.9
123.11716	19.2
125.09668	0.7
127.07569	2.2
129.07004	1.1
131.08575	1.6
133.10150	3.8
135.11751	0.5
137.13249	2.1
141.01836	3.8
141.09093	1.2
145.10133	1.0
147.11697	50.5
149.09575	0.7
149.13223	0.7
157.10155	2.2
165.12761	21.8
175.11171	3.3
183.13834	3.5
193.12259	2.6
211.13257	1.2
229.14357	10.4
267.15927	53.9
268.16306	0.5
285.16974	100.0
286.17285	1.4
317.06436	0.7
425.18045	1.0
443.19434	2.6
461.20209	4.0
461.27359	0.8
479.18689	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2929
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
52.87608	0.2
53.03935	0.3
55.01860	0.7
55.05517	3.8
56.40416	0.2
57.07072	0.4
62.06097	1.0
63.64530	0.2
65.03928	0.4
67.05175	0.4
67.05510	5.4
67.05862	0.2
69.07072	5.0
71.08606	0.2
71.19120	0.4
72.04523	0.4
79.05500	1.5
81.06589	0.3
81.07059	5.2
83.08623	1.7
84.08148	0.3
85.05292	1.3
86.06062	0.9
91.05476	0.8
93.07039	1.2
95.08612	3.6
96.08105	0.4
97.10176	0.6
98.06060	8.9
98.98460	0.5
105.07026	0.3
107.08576	0.6
109.10165	1.2
110.09673	0.4
112.07608	1.1
119.08585	0.5
121.10126	0.6
123.11718	0.5
124.11243	0.3
126.09129	0.4
133.10010	0.4
138.09120	0.4
140.10692	0.6
147.11769	0.2
149.02332	0.2
152.10733	0.4
154.12225	0.6
168.13863	0.4
180.13747	0.2
182.15401	0.4
194.15442	0.3
196.16951	0.5
198.41661	0.2
208.17012	0.8
222.18552	0.5
236.20074	0.4
250.21548	0.2
306.27914	100.0
307.28134	1.2
324.29086	0.8
326.86398	0.2
397.38235	0.2
478.28583	0.5
478.35202	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.7
57.03416	2.4
57.07072	1.8
62.06088	20.6
65.03926	0.9
66.83466	0.7
67.05505	20.9
69.06731	1.1
69.07066	11.0
69.87360	2.3
79.05487	6.7
81.07056	23.0
83.04964	0.9
83.08605	5.3
85.05273	1.1
91.05463	3.3
93.07041	6.0
95.04932	0.8
95.08611	13.1
97.06538	1.1
97.10149	2.0
98.06058	8.7
98.98464	4.6
105.07021	3.2
107.08588	4.2
109.10155	5.5
111.08028	0.8
112.07585	1.3
115.01741	0.7
119.08588	2.1
121.10149	3.7
123.11675	2.1
133.10092	1.9
135.11702	1.5
137.13280	1.2
145.72014	0.7
147.11690	1.3
154.12230	0.7
155.01035	4.1
161.13326	1.2
175.14864	0.8
196.16891	0.8
198.05188	1.2
216.06320	2.0
245.22586	1.1
263.23755	3.6
306.27908	100.0
307.28168	1.4
314.34244	0.7
324.28934	1.4
337.27362	64.8
386.24036	1.3
404.24823	0.9
412.45248	0.7
417.23898	0.8
460.28162	5.1
478.29132	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	479.1187
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
50.96036	0.2
56.38059	0.2
67.91998	0.2
69.03451	0.4
69.63091	0.3
69.63432	1.5
72.72104	0.2
79.05526	0.3
81.07105	0.3
85.02953	0.5
86.49694	0.3
87.00848	0.3
98.20154	0.2
107.24371	0.2
112.79836	0.2
127.03976	0.5
137.24228	0.2
153.01910	0.5
177.16397	0.5
203.03432	0.4
274.04733	13.9
302.04230	30.7
304.01706	0.2
317.06570	100.0
318.06982	0.7
346.05466	0.2
449.42444	0.3
479.11407	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.293
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03936	0.6
55.01869	0.8
55.05515	9.8
57.03188	0.5
57.03445	6.4
57.03712	0.8
57.07091	1.9
61.02915	0.5
65.03946	0.6
67.05509	23.0
69.03404	0.3
69.07076	14.1
71.04984	0.6
71.08627	0.5
79.05067	0.5
79.05499	7.3
81.07063	23.7
83.04985	1.3
83.08157	0.4
83.08627	7.8
85.06549	0.7
91.05486	4.1
93.07047	7.3
95.04961	0.8
95.08617	18.5
97.06534	2.1
97.10175	3.5
98.06065	0.8
98.20716	0.9
99.08099	0.7
105.07051	3.3
107.08604	4.3
109.10162	6.4
111.08089	1.1
111.11739	0.5
113.09592	0.5
119.08585	2.6
121.10156	3.2
123.11732	2.5
124.01632	0.5
125.09631	0.6
131.08612	0.4
133.10143	2.7
135.11694	2.1
135.74339	0.4
137.09631	0.5
137.13237	1.0
145.10130	0.4
147.11676	1.3
149.13278	1.0
151.11169	0.6
153.12784	0.4
161.13290	1.0
175.14929	0.4
198.05386	0.6
216.06229	0.7
219.26720	0.3
227.71245	0.3
228.13037	0.4
229.13589	0.4
242.34923	0.4
252.53920	0.4
263.23761	1.2
306.27975	8.4
337.27386	100.0
338.27664	1.5
478.28955	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01868	2.9
55.05508	11.4
57.03432	3.9
61.02914	3.6
67.05514	19.8
69.03436	8.6
69.07058	6.0
70.77928	2.8
70.78243	2.5
71.05001	23.0
73.02903	1.6
79.05080	1.7
79.05502	22.2
81.03400	6.8
81.07067	17.0
82.07378	1.7
83.04966	5.9
83.08631	3.8
84.32993	1.6
84.92070	1.7
85.02920	23.8
85.06515	2.2
87.00825	8.8
91.05484	11.9
93.07050	20.1
95.04954	6.5
95.08617	8.1
97.02887	5.6
97.06518	2.0
97.10160	3.5
99.04443	2.0
105.01873	18.4
105.07034	9.4
107.04997	3.6
107.08577	8.3
109.02845	5.8
109.06483	2.4
109.10166	6.6
113.09647	9.5
117.06977	4.0
119.08596	8.1
121.06555	1.8
121.10140	3.3
123.08022	2.4
123.11668	2.4
125.09666	2.9
127.03926	14.0
129.06978	3.7
133.10109	6.2
135.08075	1.9
135.11717	1.6
143.08504	4.5
145.04956	7.1
145.10043	2.0
146.96771	1.4
147.11682	9.5
159.02948	1.9
161.09586	1.7
161.13246	3.7
169.52071	2.0
171.11678	5.8
181.68471	1.6
195.17464	34.0
207.13824	5.5
213.18510	11.2
231.04962	6.8
249.05954	3.2
267.15738	1.6
281.17496	100.0
368.22968	2.5
386.24103	6.0
404.24884	2.5
442.26288	2.0
443.22787	3.2
460.27682	5.6
478.29086	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	478.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01873	2.1
55.05516	8.0
57.03435	4.1
65.03944	1.1
67.05507	16.5
69.03432	1.4
69.07077	5.8
69.72063	1.7
69.72468	3.7
71.01353	1.4
71.05000	6.6
73.02923	2.1
79.05497	11.7
80.05836	1.5
81.03431	4.4
81.07059	34.7
82.03743	1.0
82.07413	2.1
83.04984	3.9
83.08625	5.5
85.02900	7.8
85.06519	1.8
91.05487	14.4
92.05836	1.3
93.07054	9.7
94.07389	1.3
95.01355	2.2
95.04956	4.1
95.08607	10.0
97.02921	1.3
97.06558	3.4
97.10188	3.2
98.10564	0.9
98.20817	1.2
99.08134	2.1
101.02375	0.9
105.07040	15.2
106.07394	1.8
107.04985	2.3
107.08587	8.5
108.05370	1.1
109.06551	2.7
109.10188	1.7
111.04491	0.9
113.02383	1.9
117.07025	2.2
119.08588	12.4
120.08903	1.0
121.06527	2.4
121.10155	8.8
122.06943	0.8
122.10484	0.9
123.08085	2.3
123.11721	10.7
125.09668	2.9
129.07048	2.0
129.68889	0.8
130.07327	0.9
131.03482	1.1
131.08588	2.3
132.08939	1.7
133.06561	1.2
133.10188	3.3
134.10522	1.0
135.11711	1.1
135.53822	0.7
135.66977	0.9
136.06233	3.6
137.09671	0.8
137.13322	0.9
141.01855	3.6
145.06490	1.2
145.10143	2.2
147.11697	26.9
148.12010	1.2
149.13242	1.7
157.10168	3.1
158.10567	0.8
159.02919	1.3
163.11211	1.0
165.12759	10.6
173.09624	1.2
175.11205	2.0
193.12308	3.0
194.12653	1.0
195.17473	4.5
206.19797	1.0
213.18486	1.1
227.12741	1.1
229.07422	0.8
229.14400	2.4
234.13522	1.9
234.15648	1.4
266.25262	0.9
267.15930	100.0
268.16296	2.1
285.16974	29.4
316.19202	1.2
350.21982	1.0
368.23154	3.4
386.24075	6.1
401.16397	1.0
404.25113	1.4
434.26538	1.1
436.52496	0.8
460.27722	8.9
478.28870	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	477.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.0
55.01883	10.8
55.05515	55.9
55.05783	2.7
57.03448	11.2
65.03951	1.9
67.05182	3.5
67.05511	49.1
68.89178	1.6
69.03418	8.3
69.07066	13.6
69.28728	7.9
69.29153	7.0
71.04974	3.8
79.05499	52.0
81.03421	27.3
81.07061	44.2
83.04991	8.8
83.08617	27.3
85.02919	1.9
85.06530	3.4
87.04477	1.8
91.05482	38.8
93.07057	27.5
95.04973	21.5
95.08610	17.9
97.06541	6.1
97.10174	48.4
98.21451	3.1
105.03436	1.8
105.07029	29.4
107.04967	31.6
107.08595	30.2
109.06521	8.9
109.10161	15.0
111.04446	3.8
111.08096	4.2
115.05434	4.0
117.07029	15.7
119.04935	2.4
119.08581	20.1
121.06523	26.9
121.10133	10.8
123.04456	2.3
123.08049	8.7
123.11746	2.6
125.05971	3.9
125.09631	37.3
129.07018	16.6
131.04958	4.2
131.08586	18.0
133.06491	10.6
133.10133	10.4
135.08072	14.0
135.11714	4.7
137.09637	6.5
139.07535	2.2
141.07018	4.9
143.08585	10.5
145.06487	21.9
145.10141	9.6
147.04405	3.0
147.08020	9.4
147.11641	8.6
149.06067	1.9
149.09622	6.4
153.09132	10.7
153.12766	3.2
155.08566	6.3
157.06502	4.9
157.10150	9.2
159.08067	7.5
159.11708	4.9
160.97404	2.0
161.06020	2.2
161.09590	4.4
163.11195	3.7
165.12747	2.9
167.08592	2.4
168.41321	1.8
169.10162	5.3
171.08066	6.9
171.10170	5.7
171.11732	8.3
173.09625	6.4
173.13322	2.8
175.11230	5.9
177.12691	1.9
181.10182	4.1
182.91228	1.8
183.11734	2.2
185.09671	3.0
185.13412	2.4
187.11172	4.8
187.14830	3.3
189.09441	2.2
189.11237	17.8
189.12781	6.8
193.12274	17.3
195.08101	2.5
195.11818	4.6
197.09686	2.6
197.13310	4.8
199.11176	5.2
201.12755	3.1
205.12288	4.5
211.11317	3.4
211.13283	3.4
213.12816	4.3
215.14261	7.9
217.12273	5.5
219.11807	2.0
219.13841	2.9
223.11322	2.2
223.13312	3.5
225.12828	2.9
227.12621	10.2
231.13837	4.8
233.15364	14.7
235.13280	3.9
237.12741	2.9
241.14362	6.6
245.15460	2.2
249.14905	4.2
255.13895	5.9
257.15332	2.3
267.15915	27.5
271.16925	4.2
272.06750	2.1
273.14908	17.8
285.07590	9.8
290.51181	1.8
291.16052	3.6
300.06378	9.8
315.08606	25.2
323.20035	2.0
331.20615	1.8
339.23273	8.4
341.21313	3.9
349.21606	17.4
357.24362	10.7
367.22675	51.1
369.24640	1.8
385.23746	94.7
386.23837	2.0
403.24738	26.5
415.24683	2.2
433.25601	12.9
441.26230	7.1
459.27408	100.0
477.28494	61.5
477.35352	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	477.2849
Annotation	Hongdoushan B
Peak:m/z	Relative Intensity
53.03943	6.5
55.01875	9.7
55.05512	45.6
56.88340	2.1
57.03440	10.8
59.91792	2.1
67.05510	46.6
67.32580	1.7
67.86291	2.0
69.03426	6.1
69.07069	10.8
71.04974	4.7
77.92886	1.7
79.05496	50.6
81.03418	29.9
81.07058	38.0
83.04977	8.1
83.08630	25.6
85.06563	2.2
91.05482	31.9
93.07049	24.7
95.04969	21.6
95.08613	19.2
97.06525	6.3
97.10178	40.9
102.29506	2.1
105.07031	23.6
107.04959	25.6
107.08600	23.9
109.05849	2.2
109.06487	10.0
109.10146	11.7
111.04460	2.6
111.08100	5.8
115.05495	2.3
117.07020	14.3
119.04951	2.6
119.08595	18.3
121.06519	26.4
121.10159	8.6
123.04413	2.7
123.08073	5.4
125.09621	30.8
129.07004	12.8
131.04932	4.5
131.08600	15.8
133.06528	7.3
133.10139	8.9
135.08061	9.7
135.11708	4.8
141.07011	3.3
143.08557	7.5
145.06470	17.4
145.10155	8.9
147.08057	9.1
147.11710	8.0
149.06023	2.7
149.09665	6.1
153.09099	7.1
153.12720	2.1
155.08556	2.8
157.06496	4.6
157.10161	8.1
159.08081	3.3
159.11743	3.3
161.05954	2.7
161.09518	3.5
163.11188	6.7
167.08640	3.8
169.10147	4.4
171.08075	5.6
171.10271	3.5
171.11725	5.4
173.09651	4.5
173.13474	2.7
175.11147	5.5
177.12892	2.4
181.10121	3.7
183.11740	3.9
185.13326	4.1
187.11211	3.5
187.14925	2.9
189.11243	12.9
189.12698	4.2
193.12268	22.7
197.13345	5.4
199.11194	5.6
199.14856	2.2
201.12811	3.1
203.14386	2.9
205.12241	3.1
211.13326	3.0
213.12775	3.6
215.14365	5.4
217.12247	3.4
219.13744	3.4
223.13252	2.5
227.12621	10.4
229.39053	1.9
231.13887	2.8
233.15326	11.2
241.14406	2.5
243.13959	2.6
245.15698	2.3
249.14992	2.7
255.13861	5.0
256.87512	2.2
267.15906	29.1
271.16885	3.2
273.14966	14.9
275.16440	2.5
287.16290	2.3
339.23230	8.9
341.21014	4.5
349.21579	13.9
357.24277	9.0
367.22668	38.0
385.23764	76.9
403.24774	25.8
415.25217	3.3
433.25833	18.2
441.26367	8.5
459.27426	100.0
477.28546	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	477.1393
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
55.01884	0.4
55.05518	1.3
57.03432	0.3
59.04984	0.8
65.03930	0.4
67.05496	1.7
68.02659	0.3
69.03423	1.0
69.07061	0.7
70.06608	0.3
71.04984	0.9
72.08147	0.3
74.06081	0.3
79.05486	0.7
81.03409	0.7
81.07054	1.4
83.04979	0.3
83.08615	0.6
85.02916	2.0
85.06555	0.9
86.09718	0.5
87.04448	0.5
88.87232	0.2
91.05479	0.8
93.03380	0.4
93.07053	1.6
95.04956	0.8
95.08618	1.8
97.02898	0.6
97.10194	0.5
99.04441	0.6
99.08102	1.6
105.01861	0.3
105.07043	1.0
107.04955	0.7
107.08594	1.1
109.02908	0.6
109.06520	0.3
109.10151	2.1
111.04449	0.5
111.08018	0.3
119.04932	0.7
119.08609	1.7
121.06500	0.7
121.10185	1.2
123.04424	0.3
123.11681	0.7
124.01555	0.3
125.09633	0.9
127.03902	1.1
129.09074	0.4
131.08607	0.4
133.02870	1.5
133.10156	1.5
134.10460	0.3
135.11696	0.9
137.06007	0.5
139.03886	0.4
145.04912	0.3
145.10123	0.3
148.05200	10.4
149.05994	0.4
149.13251	0.7
151.03955	0.4
152.01050	6.1
160.86403	0.2
163.03922	0.8
163.14929	0.3
166.02708	0.3
167.03413	5.3
167.14339	0.9
170.02104	1.5
175.03915	2.0
175.14816	0.6
177.05489	0.3
177.16420	0.3
181.04985	0.4
193.12166	0.4
193.15868	1.2
199.07542	0.4
209.15392	0.8
210.15720	0.3
211.17018	3.8
211.75639	0.3
213.05486	0.7
226.06200	0.3
227.06920	0.6
227.16266	0.3
229.05040	0.4
229.08630	0.3
229.14430	0.6
229.17828	0.3
239.03300	0.3
240.04205	2.5
241.08646	0.3
243.06502	0.8
244.07335	0.3
255.06502	3.4
256.07202	0.4
257.04443	1.0
259.09793	1.9
272.06845	1.9
282.05270	1.0
283.05847	0.4
285.03955	0.4
287.05527	2.1
287.08951	0.6
299.05411	0.4
300.06305	22.3
315.08624	100.0
316.08899	0.9
477.13593	0.6
477.19284	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1395
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
55.01865	0.6
55.05504	0.9
55.30457	0.4
57.03429	0.7
59.04988	0.9
66.42871	0.3
67.05502	2.2
69.03426	0.8
69.07056	0.5
70.77853	0.7
71.04981	0.8
74.06093	0.4
79.05495	0.7
81.03422	0.9
81.07046	1.4
83.08620	0.4
83.54588	0.3
85.02926	2.1
85.06547	0.9
87.04444	0.5
91.05478	0.8
92.85094	0.4
93.07037	1.1
95.04938	0.6
95.08612	0.8
95.52406	0.3
97.02881	0.6
97.06548	0.4
99.04445	1.0
99.08083	0.9
105.07040	0.9
107.04945	0.8
107.08586	1.2
109.02863	0.5
109.06536	0.4
109.10159	1.3
115.03954	0.4
119.04922	0.4
119.08574	1.2
120.08077	0.5
121.06523	0.4
121.10117	0.8
123.11684	0.5
124.01564	0.6
125.09620	0.9
127.03918	0.5
131.08565	0.6
133.02852	1.0
133.10132	1.2
135.04428	0.6
135.11679	0.7
137.09650	0.6
139.03870	0.5
145.06523	0.5
145.10078	0.5
148.05199	9.5
149.05894	0.4
149.13293	0.8
151.03885	0.4
152.01067	6.2
155.10605	0.4
163.03879	0.8
167.03409	5.0
167.14337	0.5
170.02075	1.1
173.13226	0.6
175.03897	1.9
175.14857	0.5
181.04953	0.5
191.14302	0.4
193.15938	0.6
209.15384	0.9
210.15717	0.7
211.16960	3.2
212.04744	0.3
213.05482	1.2
226.06244	0.4
227.07094	0.9
227.16458	0.5
228.16780	0.4
229.04950	1.0
229.14394	0.8
240.04163	2.4
243.06546	0.7
244.07347	0.4
253.04605	0.4
254.05716	0.4
255.06483	2.3
257.04471	0.9
259.09622	1.6
271.06052	0.4
271.09753	0.4
272.06854	1.9
282.05319	1.3
283.05780	0.4
285.04172	0.5
287.05609	1.5
287.08679	0.4
299.05591	0.6
300.06290	23.6
315.08624	100.0
316.08920	1.2
323.12469	0.3
381.62784	0.4
385.05698	0.3
397.36957	0.4
425.02295	0.4
477.13617	0.8
477.19415	0.8
477.29590	0.7
491.16321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.05516	6.8
57.03440	7.2
57.07052	0.7
64.33302	0.5
65.03927	1.3
67.05508	28.4
69.07067	6.1
69.78745	3.0
72.43793	0.5
77.03919	0.7
79.05069	0.9
79.05496	15.5
80.63036	0.6
81.07058	25.8
83.04985	0.8
83.08628	2.5
85.05316	0.6
85.06508	0.6
91.05481	6.3
93.06478	1.1
93.07046	15.5
93.07635	0.9
94.14624	0.6
95.04988	1.1
95.08612	19.2
97.06528	0.7
97.10169	0.6
97.59232	0.6
98.06060	3.5
98.98489	0.6
105.07038	4.3
107.08607	6.8
109.06535	0.9
109.10163	7.2
117.07008	1.7
119.08607	3.2
121.10147	5.2
123.08122	0.9
123.11684	1.4
131.08588	2.8
133.10118	2.3
135.11717	3.1
136.97485	0.6
145.10121	1.4
146.88374	0.6
147.11642	1.3
149.13263	1.6
159.11684	0.7
161.13277	0.7
194.11789	1.1
216.06290	0.7
228.69220	0.6
261.22058	0.9
304.26358	28.1
318.44666	0.6
335.25809	100.0
336.26230	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1395
Annotation	Irisolidone 7-O-beta-D-glucoside
Peak:m/z	Relative Intensity
60.37066	0.1
61.89637	0.1
67.05492	0.3
69.07055	0.2
69.23955	0.4
69.24366	0.8
79.05502	0.2
81.03426	0.2
81.07040	0.6
85.02895	0.2
93.07037	0.2
95.08605	0.2
109.10163	0.2
119.08614	0.2
137.13202	0.2
149.40503	0.1
153.01833	0.3
153.79063	0.1
156.92123	0.1
159.09636	0.1
178.02626	0.3
242.05745	0.8
253.04970	0.4
254.05719	1.4
257.04578	0.3
270.05334	0.8
271.06021	8.1
282.05176	0.4
283.06024	0.3
285.03989	1.2
286.04724	2.5
297.03909	0.2
299.05505	31.0
300.06271	5.4
315.08618	100.0
316.08987	0.7
320.35593	0.1
367.22623	0.2
385.23297	0.2
394.28336	0.1
459.27405	0.4
477.13928	0.9
477.29083	0.2
477.36014	0.1
495.08215	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	476.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.01873	3.9
55.05511	3.8
57.03444	5.8
58.06606	1.5
61.02921	2.1
67.05520	0.9
68.05030	26.8
69.03423	3.4
69.07069	1.4
70.06594	4.8
71.01358	1.6
71.53288	1.0
72.08161	19.3
73.02920	3.7
74.06090	1.6
81.03417	0.9
81.07070	0.8
84.04501	0.8
84.08139	1.6
85.02914	6.7
86.06072	100.0
86.09714	9.8
87.04490	0.9
88.03989	0.8
91.05488	1.1
96.04517	1.6
97.02908	2.9
97.06541	0.9
100.07632	3.0
100.11296	0.9
103.03947	1.3
105.07002	0.9
108.08136	0.7
109.06510	0.7
110.06012	1.0
111.04462	0.6
113.07154	0.7
114.05539	0.8
114.09155	1.5
115.03947	2.4
116.07077	6.0
121.01125	2.5
123.04426	1.0
123.08064	0.9
127.03894	1.3
128.07080	11.4
128.07967	1.1
132.06615	0.7
132.10234	2.2
133.04987	1.6
136.06166	6.9
136.07639	1.3
138.05511	2.1
147.04437	4.2
147.56088	0.7
149.00572	5.9
164.07098	1.1
165.00076	1.1
165.05553	1.1
173.06010	1.1
181.03230	1.0
181.13405	2.0
185.12868	15.1
185.15382	0.7
187.14468	2.7
192.99568	2.2
194.00349	1.2
197.06009	0.9
199.14456	5.3
209.02675	9.7
213.12326	4.3
215.13943	1.5
218.10249	1.0
219.06641	1.2
223.07742	0.9
225.02153	1.8
227.13907	2.2
228.12361	0.9
229.15567	1.1
231.13559	1.4
245.14989	65.5
249.15781	2.4
250.13057	9.6
250.15703	1.3
261.07556	0.9
261.11279	1.5
279.08551	1.2
287.16049	4.3
314.06818	4.5
317.17090	2.0
341.17200	1.9
344.21811	16.2
345.16617	10.0
363.18042	0.9
377.19223	57.3
386.22879	4.1
476.16068	1.5
476.26151	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	476.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
55.05510	4.0
57.03454	0.6
57.07085	0.7
59.05009	0.6
67.05512	5.7
69.03420	0.9
69.07063	2.3
69.43337	3.1
71.04998	1.3
79.05505	3.3
81.03412	1.1
81.07069	4.3
83.04976	1.0
83.08615	0.8
85.02902	1.8
85.06548	7.1
87.00842	0.7
91.05490	1.7
93.07054	6.4
95.04990	1.1
95.08617	4.1
97.02906	0.9
97.06522	0.8
97.10194	1.1
98.21475	0.6
99.08100	71.4
104.07622	0.4
105.01885	1.0
105.07017	2.2
107.08598	5.4
109.02885	0.5
109.06510	0.8
109.10172	11.3
111.08069	0.8
119.08590	3.6
121.06474	0.5
121.10143	2.6
121.37423	0.4
123.08064	1.6
123.11723	1.8
125.09623	0.8
127.03932	1.3
131.08611	0.5
133.10141	13.1
135.07991	0.5
135.11700	9.3
137.09621	3.8
145.05008	0.4
145.06447	0.6
151.11220	1.9
151.14723	0.6
165.09183	0.4
165.16374	0.9
170.11938	0.5
175.14828	5.2
177.16374	0.5
185.84071	0.4
193.15892	100.0
211.16858	2.1
251.79980	0.4
261.16907	0.4
315.08685	1.1
367.22488	0.7
371.29294	0.4
384.22375	1.0
385.23602	1.5
458.26218	0.9
459.27322	1.5
476.27222	2.4
477.28607	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01632	1.2
52.80796	1.2
53.03953	1.8
53.81418	1.1
55.01875	1.5
55.05496	2.2
57.03436	1.4
57.07051	1.7
64.80621	1.3
67.05505	7.1
67.97939	1.2
69.03447	2.7
69.07062	6.5
70.06587	4.7
71.04973	1.8
71.54020	2.0
72.21339	1.1
76.39934	1.2
79.05486	1.4
81.03419	2.2
81.07066	7.3
83.08607	2.4
84.04478	1.5
85.02908	4.6
85.06547	2.8
86.03228	1.6
86.09709	1.7
87.00849	2.1
91.05473	4.7
93.07050	5.1
95.04971	2.7
95.08602	16.5
97.02881	2.1
97.06527	2.1
99.04449	4.8
105.01851	2.3
105.07041	9.8
107.08633	8.1
109.02887	1.4
109.06515	3.4
109.10163	22.0
117.07049	1.2
119.08585	36.5
121.10128	3.7
122.10528	1.4
123.08070	2.5
125.09698	1.2
127.03897	3.3
131.08603	2.6
133.10135	45.7
134.10403	1.7
135.11711	8.7
137.05952	1.4
137.09648	8.7
145.10118	3.5
147.11719	11.4
148.12033	3.2
149.13246	3.7
151.14854	3.7
155.70010	1.2
166.12839	1.4
174.13539	2.5
175.14835	100.0
191.14226	2.5
192.14674	3.0
193.15881	34.1
209.15375	5.5
210.15742	5.8
227.16483	4.1
228.16751	4.8
239.78444	1.5
315.08640	2.4
352.49713	1.4
408.09561	1.2
444.23370	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30083	0.5
52.47663	0.5
53.03941	1.7
53.23017	0.6
53.43405	0.5
55.01886	1.4
55.05519	2.1
56.05027	0.5
57.03440	1.0
57.07077	0.9
61.02927	1.3
67.05511	1.7
69.03432	5.1
69.07071	2.9
71.04999	1.9
71.53107	0.6
74.06087	1.4
75.05627	0.6
79.05503	1.9
81.03436	4.0
81.07059	8.0
83.08607	1.1
84.08148	0.7
85.02906	14.6
86.06052	0.6
87.00837	5.8
87.08105	1.3
88.07617	1.0
91.05492	4.1
93.07040	5.6
95.08612	10.8
97.02909	6.1
99.04464	2.2
99.08109	4.3
105.01901	5.9
105.07029	8.4
107.08601	8.6
109.02882	4.6
109.10172	2.1
113.09653	1.7
117.07063	0.7
119.08588	48.5
120.04481	0.7
121.10176	1.2
123.11696	3.4
127.03928	9.5
131.07678	0.6
131.08601	1.2
133.10138	90.6
134.10468	1.4
135.11703	17.5
137.05998	1.3
137.09647	0.7
145.04950	5.2
145.10153	0.9
147.11707	2.5
152.34735	0.6
159.02898	3.1
173.13249	0.7
175.14835	100.0
176.15192	1.1
193.15906	28.1
211.16943	26.6
212.17316	0.7
231.04950	2.6
266.21741	0.6
291.68857	0.6
299.05536	2.6
300.06128	0.9
315.08646	12.4
315.12320	0.8
331.74484	0.7
426.32300	2.8
444.32846	0.8
458.25931	0.8
458.34610	2.3
476.26938	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25660	0.3
54.48134	0.3
56.96567	1.2
59.52658	0.3
67.74378	0.4
68.22581	0.3
69.03426	0.9
69.18747	3.1
69.21048	0.3
70.06590	0.6
71.05022	0.6
72.08199	0.3
74.06088	0.6
79.05497	0.9
81.03409	0.4
84.04512	0.6
84.08167	0.6
85.02893	1.6
86.09718	0.8
89.06044	0.9
91.05477	0.8
93.07048	1.1
97.02897	0.8
97.48049	0.3
98.06069	0.8
98.97597	3.1
99.04446	0.4
103.05464	5.7
107.04957	1.9
110.97549	0.5
116.07107	0.3
116.98615	1.0
119.04958	0.8
120.08114	100.0
121.08459	0.7
122.06033	0.7
127.03925	0.7
128.98586	0.5
129.10457	0.3
130.63152	0.3
131.04935	2.7
136.06216	0.4
137.05942	0.4
138.05518	0.4
140.07060	2.6
145.02895	0.5
146.01248	0.6
147.04425	3.2
149.06024	2.6
149.08134	1.0
150.06744	0.3
158.99593	0.6
162.06750	0.5
164.02292	0.4
166.08652	57.0
175.04497	0.4
177.00755	0.5
177.05489	0.4
190.45706	0.3
216.11331	0.9
219.01804	1.7
219.07083	0.3
235.02791	0.4
237.02887	2.0
238.03157	1.0
258.06506	0.5
276.07565	0.9
325.08859	0.4
416.09518	1.5
434.10339	0.6
469.34207	0.4
476.11557	0.7
476.18146	0.5
477.17682	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70341	0.7
53.03944	0.9
55.05502	2.4
57.07059	1.3
60.04536	1.2
67.05486	1.9
69.03414	1.1
69.07056	2.6
69.17281	7.9
71.04988	2.3
76.11649	0.7
79.05486	1.9
81.07051	5.5
81.76099	0.7
83.08620	1.5
85.02902	2.4
87.00851	1.3
87.08108	2.3
91.05462	2.9
93.07053	6.5
95.04951	0.7
95.08618	8.9
97.02910	1.2
99.04410	0.8
99.08099	0.8
105.01830	1.0
105.07033	8.0
107.08604	10.7
109.10154	3.6
113.09634	1.7
117.07023	1.2
119.08585	23.3
121.10143	1.3
123.08016	1.1
123.11723	3.8
127.03923	1.6
131.08562	1.5
133.10135	100.0
135.11694	30.4
135.12726	1.5
137.09604	1.5
145.10063	1.1
147.11670	3.5
162.44875	0.8
175.14833	85.0
193.15889	69.7
194.16248	1.1
210.15755	1.3
211.16931	7.3
285.07571	1.1
286.07947	1.6
424.43277	0.8
436.18246	0.9
444.33231	2.2
476.26971	1.2
476.35684	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	475.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01863	2.3
55.05513	10.7
57.03187	1.6
57.03439	16.2
57.07081	40.5
61.02929	50.5
62.17238	1.1
67.05183	1.3
67.05509	18.4
68.41258	1.1
69.03082	1.6
69.03432	22.3
69.07071	13.8
70.05669	4.7
71.01360	1.7
71.04993	4.8
71.08638	32.5
73.02568	1.4
73.02927	20.9
75.04478	1.1
76.06588	1.0
79.05507	10.0
81.02985	1.4
81.03422	15.7
81.07058	25.0
83.01319	1.7
83.04976	3.8
83.08626	15.8
85.02911	48.8
85.06525	1.3
85.10184	17.9
87.04453	2.7
91.03419	1.7
91.03957	25.4
91.05484	7.9
93.07053	9.9
95.04991	1.4
95.08611	31.2
97.02897	42.7
97.06519	1.7
97.10175	8.3
99.04465	8.6
99.11712	1.1
101.02385	10.8
103.03957	8.0
105.07028	4.7
107.04932	1.2
107.08617	5.2
109.02881	8.6
109.06523	1.6
109.10143	12.8
111.04417	1.3
111.11713	2.3
115.03911	3.7
117.05486	3.9
117.07023	1.5
119.08574	3.6
121.10136	2.8
123.11729	7.7
125.13240	2.4
127.03915	18.2
129.05463	3.3
129.06978	1.5
131.08551	2.0
133.10138	2.2
137.13248	2.5
145.04977	8.2
147.11688	5.1
149.02385	1.3
149.09396	1.1
149.13205	1.3
151.14824	1.4
155.08636	1.2
159.06541	2.1
159.11722	2.2
161.13368	2.3
171.11650	2.7
183.06523	6.8
201.07571	4.8
207.13867	2.8
221.22612	1.9
239.23701	28.3
248.07062	1.1
257.24677	4.3
308.56561	1.1
310.00546	1.2
313.27374	100.0
341.26904	3.9
348.49438	1.4
355.28574	3.1
385.29428	1.7
457.31586	8.7
464.37344	1.2
474.17175	1.1
475.32639	24.7
496.18219	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	2.0
53.03708	1.1
53.03947	9.6
55.01857	3.9
55.05271	1.7
55.05512	25.9
57.03423	3.8
57.07059	2.2
65.03913	4.3
67.05507	72.1
69.07075	20.9
71.04974	4.4
71.54371	1.8
73.02909	1.6
77.03905	2.4
79.05495	75.1
81.03416	10.5
81.07060	79.7
83.04999	11.4
83.08224	1.4
83.08622	14.1
85.06531	3.6
89.60004	1.3
91.05485	55.2
91.20705	1.2
93.07046	68.7
93.07635	3.4
95.04971	15.2
95.08609	34.0
97.06535	11.4
97.10189	2.6
99.08076	2.2
105.04533	2.6
105.07028	35.1
107.04939	6.4
107.08598	29.6
109.06538	6.8
109.10160	6.9
111.08069	5.2
115.05457	1.9
117.07018	13.4
119.08583	21.3
121.06497	5.0
121.10143	15.2
123.08069	4.2
123.11686	2.6
128.06227	2.7
129.07007	10.9
131.08592	13.7
133.06451	2.1
133.10138	12.8
135.08081	2.1
135.11691	8.1
143.08575	9.6
145.06442	1.9
145.10123	10.4
147.07997	1.6
147.11693	27.8
149.13260	19.3
155.08495	2.0
159.11681	9.5
161.09598	3.8
161.13223	10.8
171.11690	23.0
177.12730	3.6
189.12781	10.2
195.12071	1.9
195.13728	7.3
207.13821	29.4
225.14874	2.6
269.17368	1.7
305.37991	1.5
338.83191	1.5
353.20285	1.4
365.24753	3.7
383.25696	3.8
401.26877	2.3
457.29385	6.7
475.30432	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.9
55.01871	4.4
55.05514	23.6
55.45760	1.1
55.69569	1.2
57.03432	4.7
57.07069	2.5
59.04997	1.2
65.03950	5.2
67.05511	73.4
69.03442	1.2
69.07069	21.1
69.19263	9.8
71.01363	1.5
71.04996	4.2
73.06528	1.1
77.03923	1.6
77.67569	0.9
79.05500	79.0
81.03418	9.3
81.07062	85.2
83.04986	11.5
83.08630	11.0
85.02912	1.2
85.06552	2.8
91.04911	2.5
91.05488	53.8
93.07051	90.9
95.04984	16.9
95.08611	29.8
97.06541	9.7
97.10191	3.1
99.08096	2.7
105.04552	2.1
105.06528	0.6
105.07037	33.7
107.04944	5.6
107.08607	34.7
108.42265	1.1
109.06525	6.4
109.10177	4.8
111.08070	6.7
113.05934	1.0
115.05466	1.4
117.07023	12.5
119.08597	19.0
121.06553	3.1
121.10151	15.5
123.08101	3.7
123.11742	2.1
125.09661	2.1
127.07587	1.9
128.06252	2.8
129.07016	12.3
131.08569	10.5
133.10141	14.0
135.08063	1.7
135.11705	8.3
137.06035	1.2
141.07051	1.3
143.08562	6.9
145.10141	8.1
147.08118	3.2
147.11691	25.9
149.09602	1.7
149.13269	22.7
149.14380	1.8
151.11137	1.5
157.10138	1.6
159.11699	8.3
161.09660	3.8
161.13248	10.6
171.11720	21.7
177.05528	1.2
177.12775	3.8
189.12775	9.4
195.13811	7.5
207.13814	30.9
207.15729	1.9
213.14917	1.2
225.15001	3.2
227.12856	1.8
263.16705	1.4
285.13211	1.1
289.64014	1.1
293.27313	1.2
333.79214	1.1
457.29639	3.5
475.30750	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.8
51.02385	0.9
53.03951	7.1
55.01863	3.0
55.05511	19.5
57.03440	4.8
57.07070	1.0
65.03946	4.0
67.05507	71.2
69.03428	1.6
69.06725	1.1
69.07071	17.9
71.04994	4.1
77.03907	1.0
79.05495	72.7
81.03423	7.6
81.07058	74.1
83.04985	12.7
83.08224	0.9
83.08630	12.6
83.91100	0.7
85.06532	3.0
91.05483	51.7
93.07047	75.0
95.04973	18.2
95.08611	28.5
97.02891	1.5
97.06541	9.4
97.10160	2.7
99.08083	1.3
103.05480	0.9
105.04527	1.9
105.07034	32.5
107.04967	5.0
107.08596	30.9
109.06544	6.4
109.10162	5.1
111.08067	5.3
111.11693	0.8
113.09630	1.5
115.05441	1.6
117.07030	10.8
119.08577	18.0
121.06509	3.3
121.10145	11.8
122.16006	0.8
123.08054	4.7
123.11710	1.7
127.07577	1.4
128.06212	2.6
129.07001	12.3
131.08569	7.7
133.06496	1.1
133.09235	1.3
133.10144	12.6
135.08067	1.7
135.11688	6.5
139.07591	0.7
139.11133	1.1
141.09125	1.3
143.08554	6.6
145.10133	7.6
147.08063	1.3
147.11690	28.5
149.13258	19.4
151.11180	1.5
155.08546	1.1
156.09395	0.9
157.10078	0.8
159.11694	8.5
161.09676	3.6
161.13272	8.2
163.11194	1.1
169.10117	1.2
171.11693	21.8
177.12721	4.9
179.14218	0.9
181.10054	0.8
183.11685	1.0
189.12735	9.0
195.12068	1.2
195.13792	7.2
207.13814	30.3
211.17935	0.7
213.14874	1.1
225.14836	4.6
229.90358	0.8
263.16348	1.4
269.10269	0.8
269.17490	2.0
281.17584	1.5
365.24536	1.4
383.25537	1.4
401.27225	1.0
457.29306	3.2
475.30536	100.0
476.31079	2.5
490.63211	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.3
53.03948	7.5
55.01862	3.8
55.05515	20.9
57.03433	5.6
57.07069	2.5
64.49388	0.9
65.03934	3.8
67.05508	78.7
69.06725	1.5
69.07073	20.4
71.04991	5.1
71.05347	1.1
71.53446	1.6
73.02919	1.4
73.06543	1.8
73.13165	0.9
77.03918	1.4
79.05499	76.1
81.03428	10.2
81.07062	82.0
83.04988	13.9
83.08622	13.8
85.02917	1.2
85.06543	4.3
91.05487	57.4
93.07051	75.6
95.04981	17.6
95.08614	31.1
95.09052	0.6
97.02921	1.3
97.06539	9.4
97.10162	2.9
99.08087	2.0
105.04508	2.5
105.07034	36.2
107.04972	6.6
107.07873	1.8
107.08600	35.0
109.06544	6.3
109.10169	5.5
111.08064	5.3
117.07021	12.8
119.08591	17.0
121.06505	3.9
121.10152	13.7
123.08087	4.8
123.11643	1.1
125.09623	1.1
127.07554	2.3
128.06218	1.8
129.07014	11.3
131.08595	8.4
133.10139	11.1
135.08109	1.5
135.11707	5.5
143.08583	7.6
145.10158	7.5
147.08043	2.1
147.10535	1.8
147.11694	31.3
149.13269	19.6
156.09372	1.1
157.10133	1.0
159.11716	9.6
161.09683	4.4
161.13269	13.3
163.11171	2.0
171.11679	20.8
171.14064	0.8
177.12759	4.8
179.14397	1.2
182.76648	0.9
185.13397	1.1
186.91074	0.9
189.12799	9.8
195.13884	7.5
201.04240	0.9
207.13814	33.7
225.14908	3.9
251.16437	1.2
268.03021	0.9
269.17453	1.9
281.17398	1.9
324.18375	1.0
381.20041	1.0
383.25906	1.5
391.00082	1.0
457.29620	3.6
458.43561	1.1
475.30563	100.0
476.30698	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.1
53.03950	8.0
55.01865	3.6
55.05512	22.6
57.03442	4.6
57.07076	1.3
63.87966	1.1
64.10721	0.9
65.03954	4.3
66.00441	1.0
67.05508	74.4
69.03442	2.1
69.06724	1.8
69.07075	20.3
70.97354	1.5
70.97695	1.0
71.05011	4.7
73.06557	1.4
77.03905	1.1
79.05498	71.2
81.03428	10.7
81.07062	75.2
82.07399	0.9
83.04989	15.6
83.08621	13.3
85.06560	3.9
86.46209	0.9
87.04493	1.0
87.33778	0.8
91.05487	54.2
93.07047	74.6
95.04976	18.0
95.08611	30.3
97.06541	11.1
97.10181	2.4
99.08115	1.6
99.31220	0.9
103.05502	1.3
105.04549	3.3
105.07035	35.4
107.04979	5.7
107.08598	32.8
109.06527	7.1
109.10175	6.3
111.08094	5.9
117.07047	12.2
119.08575	19.1
119.09354	1.2
121.06499	2.3
121.10149	12.6
123.08070	4.1
123.11730	3.0
125.09650	1.4
127.07524	1.2
128.06245	2.3
129.07004	11.6
131.08577	8.5
133.06488	1.8
133.10143	11.9
135.08063	2.8
135.11707	6.2
139.11238	1.2
143.08586	7.2
145.10115	8.5
147.08067	3.3
147.11697	26.3
149.13266	22.1
157.10173	1.0
159.11702	7.9
161.09613	4.6
161.13258	8.8
163.11211	1.6
171.11687	23.4
171.13161	1.3
173.13338	1.0
175.11266	0.8
177.12756	4.1
179.14325	0.9
181.12196	1.0
189.12756	8.8
195.13844	7.2
207.13802	28.5
211.13307	1.0
213.14835	1.4
225.14851	4.7
227.12833	2.6
269.17447	1.2
281.17825	1.4
324.78387	1.0
355.26428	0.9
365.25070	1.9
380.10971	1.0
383.26126	1.7
401.27136	1.7
457.29886	4.2
475.30737	100.0
476.31342	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.8
53.03949	7.0
55.01876	3.9
55.05519	23.3
57.03447	5.4
57.07084	1.9
65.03944	3.4
67.05511	74.6
69.03432	1.4
69.07074	21.4
69.95192	3.8
71.05003	4.3
74.25139	0.8
77.03908	1.3
79.05499	82.2
81.03426	15.1
81.07063	81.9
83.04987	15.3
83.05463	1.4
83.08628	15.5
85.06564	3.8
91.05488	58.7
93.07050	80.5
95.04974	17.0
95.08614	31.0
95.09242	1.0
95.25924	1.0
97.02898	1.2
97.06532	9.9
97.10191	4.8
99.08101	1.8
103.05441	1.1
105.04555	2.2
105.07043	36.5
107.04950	7.0
107.08601	30.8
107.09296	1.8
109.06517	6.5
109.10132	5.5
111.00556	0.9
111.04456	0.9
111.08103	6.2
113.09651	1.2
115.05469	1.0
116.91124	0.9
117.07019	13.2
119.06064	0.9
119.08586	20.4
120.45695	0.9
121.06535	3.6
121.10150	14.5
123.08036	5.1
123.11770	1.3
125.09705	1.5
127.07583	2.0
128.06221	2.0
129.07014	13.0
131.08571	13.4
133.06502	1.2
133.10133	12.2
133.10959	1.1
135.08058	2.0
135.11705	7.1
139.11224	1.1
143.08554	6.4
145.10114	8.3
146.89049	0.9
147.08109	3.3
147.11703	23.6
149.13269	23.5
149.14359	1.2
151.11205	1.2
153.12704	1.9
156.09422	1.3
157.10156	2.1
159.11700	11.0
161.09671	3.8
161.13290	9.5
163.11295	2.1
167.14404	1.0
169.10185	0.9
171.11687	18.4
175.11227	1.0
177.12781	5.5
189.12753	10.9
193.12230	1.2
195.13795	6.1
207.13814	31.2
207.15712	1.9
213.14954	1.0
225.14957	2.6
227.12939	2.0
251.16701	1.0
263.16522	1.0
269.17538	1.3
281.17654	1.1
304.26578	1.2
355.26288	1.1
383.22134	1.1
457.29770	1.5
475.30807	100.0
476.31140	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	475.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
55.01873	5.5
55.05510	14.3
55.61946	1.0
57.03442	5.1
59.04982	1.1
65.03940	2.3
67.05506	28.7
69.03432	4.7
69.07066	7.6
71.04983	2.6
71.18819	1.9
71.97836	1.0
77.03960	1.3
79.05497	23.6
81.03425	43.7
81.07058	23.7
83.04986	11.0
83.08624	12.2
85.02914	3.5
85.06536	1.6
91.05486	22.0
93.07048	25.5
95.04970	17.3
95.08614	16.5
97.02894	5.3
97.06542	7.2
97.10163	7.0
99.04491	2.2
103.05447	1.9
104.31859	1.1
105.07030	14.7
107.04959	15.8
107.08602	16.2
109.02924	2.7
109.06521	4.1
109.10155	11.5
111.04465	5.5
111.08091	4.5
115.05469	2.4
117.06999	7.9
119.04971	3.0
119.08584	13.2
121.02888	6.0
121.06513	8.8
121.10137	11.7
123.04485	1.2
123.08081	3.1
123.11734	1.9
125.02424	1.4
125.05991	1.1
125.09662	3.7
127.03888	1.9
128.06244	1.3
129.07004	8.7
131.04909	2.3
131.08574	11.7
133.06523	5.4
133.10126	7.7
135.04395	4.9
135.08064	2.8
135.11687	15.1
137.06013	3.5
137.09612	2.7
141.07008	1.5
142.07793	1.9
143.08591	3.0
145.06512	3.6
145.10124	10.7
147.04428	1.7
147.08078	5.9
147.11699	4.7
149.06000	2.9
149.09644	4.8
153.09164	1.4
153.12762	11.7
155.08611	4.2
157.06517	1.2
157.10133	6.2
159.04463	1.4
159.08075	2.3
159.11668	2.1
161.06007	3.5
161.09656	1.4
163.11186	16.3
165.09171	3.0
165.12738	1.6
169.10190	2.9
171.08138	2.1
171.11636	1.8
173.05925	1.0
173.09647	3.4
173.11760	1.2
173.13271	1.7
175.11174	5.8
181.10168	1.5
181.12236	5.4
183.08176	1.7
183.11694	3.5
185.09505	1.2
185.13214	1.8
187.11124	1.3
189.09149	1.2
189.11247	3.1
191.10631	2.0
193.12253	15.2
201.12775	2.4
203.14317	1.0
209.09869	1.7
209.11760	4.5
209.13509	1.5
211.11275	2.3
213.12743	1.5
219.13828	4.2
227.10542	1.7
227.12779	33.2
227.14893	1.7
229.12248	1.8
231.13806	1.7
236.63467	1.0
247.13269	19.6
249.14886	3.6
265.14471	4.5
267.16000	1.7
269.15503	1.6
271.13443	2.2
271.16299	1.0
285.07700	1.7
289.14392	3.0
295.22638	1.1
355.22650	2.2
365.21188	3.9
373.23706	1.7
383.22153	15.2
401.23337	6.5
419.24472	1.8
431.24185	2.1
457.25870	11.8
475.26965	100.0
476.27609	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38190	1.6
53.03924	1.7
55.01875	3.7
55.05511	2.0
59.05017	1.9
59.30394	1.5
67.05499	5.1
69.03425	9.6
69.07074	3.7
69.58708	6.1
69.59109	3.2
71.04985	8.7
73.02940	2.2
79.05504	2.7
81.03407	6.6
81.07053	5.9
83.08593	2.1
85.02898	20.2
85.06547	10.7
87.00837	8.7
91.05475	4.6
93.07037	13.0
95.04970	73.9
95.08609	7.7
97.02899	7.1
97.06544	5.6
99.04456	26.7
99.08093	9.4
103.76492	1.6
103.78526	1.7
105.01863	5.6
105.07027	10.1
107.08585	11.3
109.02887	9.8
109.06516	4.4
109.10147	25.0
115.07568	3.7
117.01900	1.6
119.08576	4.9
121.10156	5.3
123.08050	2.1
123.11700	15.0
127.03921	13.6
127.07576	4.7
131.08569	7.5
133.10132	68.4
135.08083	6.1
139.11171	3.8
145.04913	3.5
145.10152	5.0
147.11697	3.2
149.09621	1.8
149.13271	7.2
151.11188	14.2
153.09109	32.8
158.11014	1.8
159.02872	2.8
169.12221	11.8
173.13251	24.4
191.14316	55.6
191.16078	2.8
201.96770	1.6
209.15364	100.0
217.68025	1.9
227.16396	13.7
231.05002	3.5
257.14197	1.5
274.44882	1.9
286.49930	1.6
300.11975	1.5
455.02997	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	475.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.01874	5.9
55.05515	14.3
55.15567	1.3
56.29765	1.3
56.96712	1.7
57.03442	17.7
57.07080	1.7
57.90321	1.5
59.05011	7.6
60.06525	1.5
61.02934	1.8
61.10602	1.2
65.03923	1.6
66.98251	1.5
67.05509	36.7
69.03432	16.6
69.07076	18.3
69.33742	10.1
71.01364	20.1
71.05002	19.8
73.02921	5.1
75.04491	7.2
79.05056	2.4
79.05497	26.6
81.03435	9.2
81.07063	100.0
83.01354	2.0
83.05000	11.2
83.08631	9.4
85.02911	49.6
85.06538	6.6
87.04484	12.2
91.05482	34.5
93.07048	21.3
94.82670	1.4
95.01356	3.1
95.04986	8.7
95.08609	23.8
97.02894	22.8
97.06532	14.4
97.10166	2.5
98.20734	2.0
99.00834	10.6
99.04459	18.6
99.08133	3.9
101.02377	2.1
101.06041	1.5
103.03919	9.3
105.07037	46.7
107.04955	6.1
107.08601	20.5
109.02901	2.2
109.06538	9.5
109.10156	6.7
111.04439	6.2
111.08134	3.1
112.96433	1.6
113.02377	12.4
113.06028	3.1
114.85506	1.7
117.05530	1.9
117.07017	3.8
119.08579	35.5
119.09363	2.8
121.02870	2.7
121.06498	3.6
121.10143	28.5
123.00829	2.1
123.04453	1.8
123.08041	7.2
123.11705	33.3
125.09621	3.9
127.03924	6.3
127.07602	4.1
129.07034	3.4
131.03445	7.0
131.04951	2.3
131.08597	4.8
133.10143	6.5
135.11708	3.8
137.05986	5.8
137.13248	2.7
141.01831	6.5
141.05327	1.8
141.09085	1.5
145.04973	3.6
145.10135	5.2
147.11699	97.1
149.09662	2.1
151.03918	1.5
151.07568	5.7
155.03387	1.6
155.07019	2.0
157.10139	6.3
159.70355	1.4
161.06145	1.8
161.09633	2.1
163.07669	1.6
163.11230	2.4
165.09102	2.5
165.12766	53.8
167.07149	2.0
169.05009	4.8
171.06586	2.5
172.08624	1.5
173.04482	2.6
173.08145	1.8
175.11198	6.7
183.13826	10.7
187.06012	2.4
193.12296	14.1
197.04469	3.3
201.07664	2.0
211.13367	3.2
215.05510	4.9
219.13893	1.6
227.12785	2.9
229.14354	22.0
247.08249	1.8
247.13367	3.6
249.00757	1.8
267.15945	49.7
285.07523	2.1
285.16989	43.0
289.14340	2.9
295.15332	2.3
309.16992	14.6
313.07062	2.5
313.16547	6.1
327.18005	4.7
361.16492	1.7
379.17603	3.6
382.19888	2.8
383.21686	8.3
397.18442	1.8
401.23065	2.9
411.20081	2.7
425.18167	7.8
439.19568	3.3
457.20554	13.7
457.26044	5.0
475.21295	5.6
475.26965	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	475.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97896	0.2
53.03943	1.1
54.41441	0.2
55.01882	0.4
57.03423	0.4
57.73543	0.2
59.04992	0.2
61.02916	0.3
64.89167	0.2
69.03429	3.8
70.06612	0.3
71.01350	0.2
71.05000	1.3
71.52110	0.3
81.03426	5.0
83.04977	0.3
84.08144	0.2
85.02911	9.6
86.09718	0.2
87.04470	0.8
91.05494	0.3
93.07050	0.3
95.04976	0.7
95.08605	0.3
97.02899	13.3
97.06532	0.3
99.04465	7.2
103.03951	7.4
105.07034	0.3
107.08572	0.2
109.02887	5.4
109.10212	0.3
115.03989	0.2
119.08630	0.2
120.08124	0.3
121.10158	0.2
125.09599	0.2
127.03925	100.0
128.04225	0.5
131.08632	0.2
133.10165	0.5
145.04968	8.1
149.09647	0.4
163.06027	0.5
169.04994	0.3
169.12291	0.2
169.70633	0.2
187.06026	5.8
191.14374	0.4
192.28224	0.2
205.07095	4.1
209.15366	1.1
227.16399	0.3
229.07065	0.4
253.07118	0.2
271.08252	0.6
301.81711	0.2
313.09097	0.4
319.70135	0.2
415.21808	0.3
450.52515	0.2
475.16080	0.3
475.25018	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
55.01865	1.8
55.05510	1.5
57.03421	1.5
57.07067	1.7
61.02901	1.1
67.05501	2.2
68.59587	0.8
69.03436	37.9
69.07067	3.0
70.03785	0.7
71.04997	2.0
71.53935	1.1
73.02913	1.5
79.05494	1.8
81.03413	3.3
81.07070	3.9
83.04987	2.7
83.08620	1.1
85.02907	12.6
85.06544	1.7
87.00841	4.4
87.04468	0.9
91.05480	2.5
93.07043	3.0
95.08611	6.5
97.02887	4.3
97.06534	2.1
99.04473	1.6
105.01895	5.4
105.07039	2.9
107.08603	9.7
109.02913	3.7
109.06541	4.7
109.10159	2.2
111.08076	2.2
119.08589	3.2
121.06509	1.7
121.10150	7.8
123.08080	1.4
123.11715	4.2
124.07472	0.7
125.09644	15.3
127.03941	7.4
131.08574	5.8
133.10143	4.1
135.08072	7.9
135.11694	4.2
145.04991	2.5
145.10118	3.3
147.11696	3.2
149.09624	5.9
149.13271	2.2
151.11137	1.3
153.09134	5.6
158.10909	2.8
159.02922	2.5
163.11261	2.1
163.14832	3.8
165.12770	1.8
173.13290	17.8
176.12015	1.0
184.52705	0.8
191.14322	66.2
193.01913	0.7
209.15384	100.0
231.04939	1.8
486.28619	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2899
Annotation	Paeonenoide A
Peak:m/z	Relative Intensity
50.01580	1.0
51.02374	1.4
51.85191	0.8
53.03950	7.9
55.01863	4.0
55.05271	1.1
55.05518	16.8
57.03421	3.1
57.07072	0.9
65.03934	3.4
67.05508	46.4
69.03419	2.9
69.07075	9.2
71.04984	3.0
71.53852	1.1
77.03913	1.1
79.05496	58.2
81.03422	89.6
81.07059	37.2
83.04987	11.3
83.08623	17.5
85.02888	0.9
85.06548	1.8
91.05484	52.7
93.07048	42.9
95.04974	33.3
95.08614	20.3
97.02905	1.8
97.06544	4.2
97.10163	4.1
103.05471	2.4
103.57867	0.8
105.04543	2.0
105.07039	38.2
107.04968	7.7
107.08602	11.8
109.06518	5.5
109.10172	5.2
109.81577	0.9
111.08060	5.3
115.05460	3.0
117.07033	8.7
119.04935	2.0
119.08587	25.9
121.06529	4.3
121.10123	7.4
123.08070	5.1
123.11692	1.3
125.09611	2.8
128.06194	2.3
129.07011	20.7
130.07790	1.1
131.08569	11.3
133.06502	5.7
133.10143	9.9
135.11678	1.6
137.09636	2.4
141.07013	1.9
141.09047	1.1
142.07794	3.7
143.08571	7.9
145.06502	1.8
145.10121	8.5
147.08058	4.2
147.11702	27.7
149.09628	3.3
155.06027	0.9
155.08568	1.7
156.09267	1.1
157.06525	1.4
157.10138	8.8
159.08087	1.4
159.11656	1.6
161.09613	3.3
161.13287	6.7
163.11143	1.4
165.12816	1.5
169.10104	1.2
171.08165	0.9
171.11694	18.5
175.11208	6.3
185.13313	1.1
189.11273	1.4
189.12773	7.2
193.12253	21.8
207.13831	18.9
212.25365	1.1
225.14923	2.3
229.15926	1.8
231.13979	1.5
249.14899	4.9
273.14981	1.4
281.17456	1.3
301.18237	0.9
363.23431	1.8
381.24255	4.0
399.25308	1.9
408.07196	0.8
455.28143	3.6
473.29037	100.0
474.29471	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.2
56.05040	5.5
57.03435	0.7
57.89607	0.6
60.08165	2.2
60.86491	0.5
61.02923	1.2
62.32531	0.6
65.03938	1.2
65.40619	0.6
69.03442	3.9
70.06586	1.6
71.06111	0.6
71.52421	0.8
71.77693	0.7
73.02937	0.7
74.06078	1.0
81.03404	1.7
84.04505	1.0
85.02911	9.4
89.38850	0.7
91.05486	40.0
93.80103	0.6
95.04968	7.9
97.02894	2.6
102.05562	1.8
103.05453	0.7
105.07024	1.3
108.05769	0.8
109.02865	1.0
115.05474	1.6
117.05763	2.5
119.04948	30.6
120.06598	1.1
122.03654	1.4
123.08012	1.1
124.07643	0.9
127.03905	2.4
132.08116	7.4
136.05202	5.6
136.07520	0.7
137.05983	38.7
138.03651	0.8
144.06543	0.8
145.05075	1.5
147.04439	0.8
147.08040	0.8
151.07552	100.0
158.08131	2.2
158.97356	0.7
160.07594	29.0
164.07091	4.2
175.07455	0.7
176.07056	0.7
177.07869	7.6
177.09196	0.8
178.08649	1.2
179.03474	3.1
184.04311	2.7
184.09793	0.8
192.10213	26.0
193.10913	0.9
210.05585	1.1
210.11160	1.0
228.06573	1.6
228.08714	1.8
294.13281	3.2
311.16022	90.5
312.51236	0.7
344.12677	1.4
414.11835	0.9
473.08997	1.8
473.21445	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	473.29
Annotation	Paeonenoide A
Peak:m/z	Relative Intensity
51.02388	1.6
53.03946	7.5
55.01871	4.4
55.05512	17.3
57.03426	2.8
62.88611	0.6
65.03925	2.6
67.05508	44.0
69.03429	2.2
69.07069	8.9
70.03233	2.9
71.04989	3.1
72.34916	0.6
73.06551	1.1
77.03923	1.1
79.05493	55.4
81.03420	83.0
81.07058	33.1
81.07454	0.6
83.04978	12.3
83.08620	18.9
85.02882	1.2
85.06534	2.5
91.05485	52.9
93.07048	42.3
95.04974	30.9
95.08610	18.1
97.02895	2.4
97.06550	3.6
97.10175	4.5
99.08064	0.9
103.05478	1.8
105.04527	1.9
105.07030	35.9
107.04951	9.1
107.08600	13.3
109.06523	5.5
109.10159	4.7
109.10806	0.8
111.04462	1.7
111.08067	6.8
115.05454	2.0
116.06228	0.7
117.07027	8.6
119.04939	0.8
119.08582	24.5
121.06509	4.8
121.10151	6.4
123.08089	5.2
123.11718	0.7
125.09655	1.6
126.66888	0.6
128.06241	2.7
129.07011	19.7
131.08568	12.3
133.06512	4.2
133.10127	9.0
135.08052	1.8
135.11688	1.7
137.09622	1.6
139.07526	0.9
141.06990	1.5
142.07751	2.6
143.08569	7.1
145.06491	1.5
145.10130	7.9
147.08051	6.0
147.11694	25.5
149.02362	0.8
149.09637	3.5
150.62126	0.5
153.09099	0.7
155.08571	1.0
157.06467	1.0
157.10141	8.4
159.08076	1.1
159.11708	1.3
161.09596	3.8
161.13239	7.4
163.11230	1.2
165.12746	1.5
167.08549	0.8
169.10141	1.3
171.08015	1.5
171.11690	18.9
175.11182	8.4
185.13451	0.7
189.12749	8.4
191.10451	0.8
193.12239	25.9
195.11580	1.0
198.49692	0.6
207.13805	21.4
207.15759	1.2
209.13211	0.7
213.12762	0.7
225.14915	2.5
228.67741	0.6
231.13698	0.9
249.14868	5.0
257.15448	0.7
263.16446	0.8
267.15933	1.5
273.14734	0.8
281.17477	1.3
363.23175	1.3
381.24344	2.6
399.25256	2.0
417.26419	1.0
444.54514	0.8
455.28033	3.2
473.29019	100.0
474.29492	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01863	3.1
55.05515	1.1
57.03434	1.9
59.05003	0.8
61.02919	1.9
65.97861	0.6
67.05515	1.9
68.99773	1.3
69.03430	8.9
69.07058	1.4
69.16021	7.7
69.57171	0.7
70.06615	1.0
71.04991	1.7
72.97273	0.7
73.02905	2.2
75.83849	0.7
79.05496	1.8
81.03429	8.6
81.07072	3.9
83.04975	5.1
85.02912	20.5
85.06545	2.1
87.00838	6.8
91.05479	1.9
93.07041	3.0
95.08611	11.2
97.02898	8.9
97.06529	2.4
98.20792	1.5
99.04448	4.2
105.01861	6.8
105.07046	10.0
107.04962	1.2
107.08601	7.8
109.02876	6.8
109.06523	3.5
109.10166	1.2
117.01910	1.4
119.04922	1.5
119.08612	5.6
121.06518	1.6
121.10153	5.0
123.08079	23.8
123.11730	3.6
127.03924	12.8
127.07544	1.1
129.07109	0.9
131.08594	2.3
133.06479	3.2
133.10114	4.4
135.11656	1.0
137.05956	2.6
137.09641	2.1
143.08546	2.3
143.28923	0.7
145.04964	6.1
145.10109	2.9
147.08055	2.8
147.11694	4.1
149.09630	19.6
151.07547	14.5
156.09343	2.8
159.02875	4.7
159.08099	1.0
160.08907	0.7
161.09666	1.6
161.13287	11.0
163.11313	0.9
165.12756	7.1
165.44572	0.7
171.11679	5.7
174.10413	3.7
179.14346	3.5
189.12761	47.3
207.13818	100.0
208.14108	1.4
225.14874	24.5
231.04941	3.3
247.85332	0.7
408.80722	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1705
Annotation	6-O-(4-Hydroxybenzoyl)-ajugol
Peak:m/z	Relative Intensity
50.71379	0.6
53.03940	1.4
55.01870	2.1
55.05532	0.7
57.03428	2.3
57.20868	0.6
61.02928	1.9
65.03940	1.0
67.05504	2.4
68.99816	3.7
69.03436	5.7
69.07072	1.3
70.06570	0.9
71.05004	1.7
71.52829	0.8
73.02925	1.1
79.05489	2.0
81.03423	3.3
81.07073	1.7
83.04993	2.1
85.02903	13.2
85.06543	1.1
87.04462	0.6
88.04020	0.6
91.04005	0.8
91.05492	3.1
93.03406	0.6
93.07046	2.9
95.04964	3.7
95.08584	0.8
97.02900	5.8
97.06535	3.8
99.04491	3.5
103.05475	2.0
105.07014	1.0
107.04976	7.9
109.02879	2.3
109.06451	0.6
109.10186	1.0
109.35477	0.7
111.04449	4.3
111.08078	1.2
119.04952	10.5
120.08106	0.7
121.06515	7.7
122.06075	0.7
123.04436	84.7
124.07631	0.9
125.06005	14.5
127.03931	6.9
131.04912	1.9
133.02872	4.1
136.07655	0.8
137.05989	2.9
138.09155	2.7
138.97537	0.7
139.03897	0.8
139.07559	5.4
140.56688	0.6
145.04936	1.4
147.03239	1.3
147.04416	27.0
149.05986	17.9
153.05478	28.3
162.03172	0.8
164.07095	0.7
165.05492	3.7
166.08716	1.2
167.07050	100.0
177.05472	12.0
178.08638	2.1
179.05550	1.3
179.07062	4.6
203.07088	0.8
206.04512	1.0
207.04790	0.7
247.10756	2.0
271.14566	1.2
271.53900	0.7
289.10706	7.7
289.15503	1.2
307.11771	66.7
349.13531	0.8
433.15652	1.7
451.16754	2.6
458.08884	0.7
469.17450	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	472.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56887	0.4
52.89301	0.3
55.05501	0.6
56.96560	1.1
59.04990	0.5
65.03959	0.4
66.54230	0.4
69.03426	0.5
69.38526	3.0
70.06578	0.9
71.04990	1.0
73.02929	0.5
79.05506	0.5
81.03387	0.5
81.07078	0.5
83.08620	1.1
84.08170	0.7
85.02901	4.8
85.06544	4.3
86.09689	0.5
91.05482	1.5
93.07037	1.4
97.02891	1.0
97.65022	0.3
98.21532	0.7
98.97588	1.7
101.06050	0.5
103.03952	12.3
103.05466	6.2
107.04988	2.1
109.02892	0.7
110.97552	0.5
116.98631	0.6
119.04945	1.0
120.08113	100.0
121.02885	1.2
121.08415	0.7
123.89028	0.4
123.93195	0.4
127.03907	1.2
127.07568	4.5
129.05504	0.8
131.04944	3.0
136.06183	1.6
138.43286	0.4
145.04947	0.6
145.08609	24.6
147.04434	3.8
148.04781	0.7
149.05960	2.6
153.40302	0.5
158.99716	0.7
161.35960	0.5
166.08649	47.3
177.05513	0.5
184.09778	0.5
185.77878	0.5
216.97903	0.5
219.01755	0.8
237.02797	1.2
265.06165	0.7
276.07483	0.7
303.09225	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.01843	2.8
55.05510	4.3
55.36857	1.7
57.03434	2.5
57.05774	2.1
61.02948	1.9
61.14756	2.0
67.05496	6.4
69.03429	4.0
69.06702	1.8
69.07073	6.4
69.28709	1.7
70.06592	3.8
70.28323	7.7
71.04995	4.8
73.02916	2.0
79.05484	9.4
81.03414	2.3
81.07057	20.7
83.04981	7.7
83.08606	4.8
84.08137	2.1
85.02894	9.0
85.06544	3.8
86.09712	2.6
91.05496	5.0
93.07053	27.4
95.04962	6.4
95.08614	10.7
97.02901	3.7
97.06544	15.0
99.04458	5.4
100.07572	2.4
101.06012	2.4
105.07038	13.2
107.04973	3.6
107.08597	21.2
109.02887	2.5
109.06512	18.3
109.10163	5.4
111.08102	9.1
119.08584	9.3
121.06506	41.6
121.10132	4.9
123.04468	3.0
123.08092	3.6
123.11717	3.7
125.06001	4.4
127.03918	7.2
127.07595	6.7
128.04272	2.7
129.07022	2.7
131.08594	2.7
133.10153	9.8
134.10411	1.8
135.08076	6.8
135.11702	1.9
137.05998	5.6
139.07608	11.7
139.08505	1.8
143.07013	3.3
143.08623	2.3
145.10086	3.8
147.11699	28.3
149.09763	2.4
149.13225	2.5
151.11189	1.8
153.12737	2.0
157.08618	8.2
157.10149	11.4
161.13281	5.5
165.12814	11.6
169.12210	3.0
171.11697	6.5
173.09714	2.5
173.13206	2.0
175.07524	1.9
175.11174	15.7
177.08946	2.1
181.10104	2.9
182.35956	1.9
185.15440	2.2
189.12814	10.9
193.12262	18.4
199.11191	16.2
207.13837	8.1
211.13292	14.1
217.12253	48.8
219.10216	3.9
223.13335	7.3
229.14439	3.8
233.94728	1.9
235.13300	71.4
253.14371	100.0
270.49432	2.2
271.15433	15.1
289.16464	16.5
304.05170	2.3
342.20023	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.8
57.03445	1.5
57.07080	27.4
59.05000	4.1
65.03951	1.9
67.05508	81.5
68.92963	0.5
69.07072	7.2
69.50287	2.9
69.50694	0.9
71.05002	2.4
71.08636	21.3
73.02901	0.6
79.05484	2.7
79.88004	0.5
81.07060	23.8
83.08620	12.5
85.06548	2.0
85.09666	0.8
85.10183	10.4
91.05480	4.5
93.07047	2.4
95.08607	19.5
97.10191	4.8
99.08118	1.0
102.11796	0.6
107.08615	1.9
109.10163	64.4
111.08111	1.7
111.11761	0.8
119.08596	3.9
123.11732	3.1
125.13328	0.7
133.08621	0.7
137.09590	3.2
137.13266	1.8
155.10703	3.5
165.16350	0.6
173.10254	1.1
173.11749	19.8
174.12102	0.8
218.64635	0.6
221.22781	0.7
224.08383	0.5
239.23718	7.8
467.37347	100.0
468.37836	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	468.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
56.91808	0.3
64.97643	0.3
66.73447	0.3
69.69244	1.9
70.06593	0.4
71.43024	0.4
79.05486	3.3
86.00637	0.3
95.04970	0.5
103.05473	2.2
105.07031	100.0
106.07394	0.5
119.04974	0.5
122.09669	52.8
123.04442	0.4
145.02811	0.5
147.04404	1.0
167.07057	0.4
192.91327	0.4
278.85867	0.4
303.55103	0.4
306.06976	0.4
322.81149	0.4
330.43536	0.3
396.55792	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	10.9
57.03434	2.7
57.07077	34.4
59.04995	3.1
61.91167	0.8
65.03944	3.0
67.05507	91.4
69.07068	8.4
71.04990	2.6
71.08633	23.9
71.53439	0.9
73.02939	0.8
79.05492	2.7
81.07059	25.3
83.08622	13.7
84.76469	0.7
85.06538	3.0
85.10186	14.1
87.65570	0.7
91.05486	4.9
91.15470	0.8
93.07049	3.4
95.08607	23.3
97.10172	5.1
98.98479	3.3
107.08575	1.9
109.10159	66.4
111.08105	2.6
111.11728	1.2
113.00045	1.2
119.08582	4.3
123.11697	3.3
133.10147	2.0
134.58580	0.9
137.09654	2.3
137.13254	2.5
155.01077	3.2
155.10658	5.6
173.11739	20.6
228.20409	1.2
239.23714	6.5
297.27972	0.9
313.27420	8.7
393.23761	0.8
467.37363	100.0
468.37674	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	467.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77594	1.1
53.03925	1.7
55.01866	1.6
55.05507	3.7
57.03427	2.2
57.07086	1.4
61.98186	1.1
63.59034	1.2
67.05505	6.7
69.03441	6.3
69.07071	4.8
70.06618	1.2
71.04978	1.8
71.18671	2.8
73.02903	1.4
79.05494	3.7
81.03423	4.9
81.07064	12.1
82.07410	1.9
83.08614	2.3
85.02905	8.8
85.06535	2.4
86.09707	3.8
87.00815	2.1
91.05477	5.0
93.07048	7.1
95.04980	2.6
95.08620	8.1
97.02894	3.5
97.06549	1.2
97.10161	1.3
97.15691	1.4
98.97611	1.5
99.04484	2.2
105.01884	1.5
105.07044	4.6
107.08606	7.4
109.02892	2.3
109.06532	2.9
109.09469	1.4
109.10146	6.5
111.08115	1.9
119.08587	4.8
121.10168	4.3
123.04443	3.0
123.08038	1.4
123.11731	2.7
125.09623	1.3
127.00086	1.2
127.03942	6.6
131.05000	1.5
131.08568	4.0
133.10152	2.8
135.08037	1.5
135.11696	2.6
137.05995	5.7
145.04990	2.0
145.10161	3.9
147.11707	2.6
149.13275	2.4
153.05412	1.4
159.02893	2.5
159.11717	7.2
160.11995	1.5
161.13272	1.8
165.12796	1.4
167.07002	1.4
171.11746	1.5
173.13312	1.8
175.07590	1.3
175.14803	1.4
177.12823	1.6
179.14279	1.3
189.05258	1.8
191.14319	2.0
201.09177	3.6
201.12637	1.8
201.16412	6.1
203.06851	1.9
203.17982	2.8
207.13799	1.7
218.09180	10.8
219.10023	6.6
219.13766	2.3
219.17462	3.2
269.17572	1.7
270.17862	4.9
271.04276	1.4
287.20108	2.8
295.09052	1.6
381.15170	3.5
423.16238	20.1
467.15295	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18824	0.7
52.73397	0.6
54.89398	0.7
55.05514	9.7
57.03424	2.3
57.07080	27.3
59.04993	2.4
65.03936	2.5
67.05508	76.1
69.07076	6.4
70.11864	2.4
71.04976	2.1
71.08636	19.0
79.05497	2.8
81.07066	20.5
83.08625	10.8
85.06549	2.7
85.10184	9.2
91.05482	5.0
93.07024	3.6
95.08615	19.6
97.10178	4.9
98.21532	0.7
107.08641	1.6
107.52971	0.7
109.10163	57.7
111.08083	3.1
111.11720	1.0
119.08575	3.9
123.11715	3.3
125.13261	1.3
137.09627	2.5
137.13287	1.8
155.10690	3.5
160.44092	0.7
173.11757	19.3
180.99614	0.7
221.22685	0.9
239.23689	7.7
254.06470	0.7
275.93277	0.7
294.45789	0.9
323.31436	0.8
357.64987	0.8
467.37387	100.0
468.37546	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1189
Annotation	Taxifolin 4'-glucoside
Peak:m/z	Relative Intensity
55.01852	1.9
57.03430	2.3
61.02924	1.8
67.01874	1.6
67.05510	2.7
67.16669	1.6
68.99776	3.3
69.03428	3.4
69.54761	1.4
69.55129	8.8
72.08115	1.7
84.08163	1.8
85.02911	8.6
86.06069	4.2
91.05482	3.4
97.02886	3.8
98.21501	1.9
101.15200	1.3
109.02856	2.1
111.04430	5.9
120.08081	1.6
121.02868	7.8
123.04441	52.3
127.03920	7.0
133.02835	3.2
135.04388	3.1
136.07599	2.5
137.02338	2.6
137.06010	12.3
139.03897	25.9
145.04912	2.4
147.04460	9.3
149.02353	73.1
150.03125	2.3
151.03900	4.9
153.01840	100.0
157.06461	3.7
161.02321	4.6
163.03954	2.1
165.01939	1.6
167.03448	11.8
171.02872	2.5
175.03912	3.3
175.07567	2.0
179.03387	4.8
179.07080	1.7
183.02885	1.9
185.05998	7.9
195.02901	25.8
203.03397	3.2
213.05441	11.5
219.03032	1.7
231.06541	55.4
241.05020	5.2
259.06036	64.2
275.13806	1.5
287.02631	2.7
287.05518	33.3
305.06589	98.5
305.09973	6.0
317.06708	1.9
323.92493	1.5
347.07669	2.4
371.07620	1.6
387.17230	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.6
55.07023	2.6
57.03427	6.8
57.07080	4.6
66.99581	2.1
67.05505	20.2
69.07082	13.1
70.49061	2.3
71.08616	3.2
74.09743	3.1
79.05497	6.5
81.07065	26.2
83.08623	8.2
84.57302	2.2
91.05496	3.9
91.71070	2.1
93.07056	7.0
95.08613	21.6
97.06509	2.6
97.10178	4.0
97.21853	1.9
105.07014	3.0
107.08595	5.3
109.10166	7.3
113.00018	26.2
119.08602	3.6
121.10162	2.3
123.11685	2.5
126.08823	2.2
133.10132	4.4
169.02649	24.0
187.03693	3.8
201.31064	2.1
245.22731	2.4
263.23676	3.2
313.27261	3.5
337.27405	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01859	1.0
55.05515	3.6
57.03435	4.5
57.07068	1.1
61.02916	1.7
67.05508	20.7
69.03414	1.7
69.07076	7.9
69.26552	5.8
69.56133	0.5
71.04975	1.6
73.02895	1.9
79.05498	11.8
81.03425	3.2
81.07061	29.7
83.04983	2.9
83.08623	6.0
85.02911	4.5
85.06546	1.9
86.92236	0.6
91.03957	1.0
91.05479	7.1
93.07047	22.1
95.04980	1.8
95.08618	8.3
97.02879	2.3
97.06536	5.0
97.10152	0.9
99.08083	1.5
105.04579	0.6
105.07024	2.9
107.04945	0.9
107.08601	12.2
109.02879	1.3
109.06493	1.3
109.10149	2.8
111.04379	0.6
111.08090	3.8
113.09669	0.7
115.03915	0.7
117.07045	3.5
119.08560	1.4
121.06560	1.1
121.10140	7.7
123.04422	0.8
123.11693	1.8
127.03941	2.8
131.08563	3.9
132.05318	0.6
133.10141	4.0
134.89568	0.5
135.08081	0.9
135.11739	3.3
137.05991	2.2
137.13237	0.8
139.07605	0.6
139.11180	1.1
147.11700	1.6
149.09691	0.9
149.13272	18.2
159.11700	7.9
165.08995	0.5
165.16434	0.7
177.12767	4.1
183.13928	0.5
195.13811	9.1
196.47548	0.6
213.14879	1.5
269.17490	100.0
270.17899	0.9
285.20435	0.6
287.18518	0.8
303.05099	0.9
304.05450	1.0
304.08926	0.9
311.05478	0.8
312.05933	1.3
339.18048	3.3
357.19177	1.4
466.12024	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	465.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43265	1.5
53.03955	1.5
53.94440	1.2
55.05516	8.1
57.03438	2.3
57.07077	2.3
63.47948	1.1
65.03957	1.1
67.05508	13.3
69.07075	11.5
70.14383	3.4
79.05500	9.2
81.03423	1.3
81.07062	16.4
83.04981	3.0
83.08625	7.6
85.06553	2.5
89.03922	5.1
91.05508	8.0
93.07042	10.8
95.04977	3.0
95.08605	9.2
97.02890	1.8
97.06532	1.8
97.10168	6.7
98.21396	2.5
99.02686	1.4
105.07035	5.6
107.04921	1.2
107.08624	8.3
109.10168	6.8
111.11703	4.1
117.03381	15.1
117.07088	1.6
119.08585	4.0
121.10155	5.9
123.08044	1.5
123.11732	2.7
133.10123	8.9
134.03600	1.4
135.11708	7.6
145.02850	45.7
147.04430	1.6
147.11661	3.2
149.06010	7.4
149.13264	2.4
151.11203	3.3
157.10188	1.4
161.13316	2.8
163.03903	2.1
165.12839	2.1
175.11278	1.6
175.14816	1.2
177.05479	100.0
179.14270	2.4
186.05505	2.1
191.07014	2.1
195.06549	21.0
205.36583	1.3
217.19473	9.0
235.20586	9.7
253.14279	3.0
253.21675	6.5
256.26361	1.5
268.31137	1.5
303.04938	9.5
399.37384	1.1
409.06244	2.0
465.12189	1.6
465.28400	11.6
465.34579	1.7
466.31705	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	465.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32933	1.0
55.05516	10.1
57.03440	8.5
57.07063	1.2
67.05508	21.5
69.03421	1.8
69.07074	11.1
69.31531	9.3
71.04994	10.7
75.04478	1.1
79.05496	15.0
81.07062	52.3
83.04978	4.8
83.08615	9.5
84.14223	1.0
85.02891	4.0
85.06552	6.5
91.05486	16.1
93.05508	2.3
93.07050	16.3
95.01323	3.8
95.04991	2.8
95.08611	66.3
97.02885	1.7
97.06541	10.5
97.10174	3.8
99.08091	2.9
105.07026	17.1
107.08603	7.5
109.10140	7.3
111.08082	2.9
111.27396	1.1
117.07040	1.3
119.07819	0.9
119.08589	22.3
121.10136	6.7
123.08064	3.6
123.11742	1.6
127.04034	1.0
133.10127	16.7
135.11685	7.9
137.13272	4.0
141.01857	5.8
145.06403	1.3
147.11678	1.9
149.13274	1.2
159.11797	1.3
161.13268	42.5
173.71309	1.1
179.14319	61.7
197.15410	9.5
253.18002	9.5
259.19131	1.2
267.15936	1.6
271.19046	100.0
285.17023	2.2
289.12604	1.0
303.04794	1.6
380.30051	1.0
420.79160	1.0
446.88361	1.1
447.22052	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	465.2334
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
51.93740	0.8
53.03954	0.8
55.01878	1.4
55.05513	5.0
56.19301	0.8
57.03440	5.6
57.07054	0.9
57.69232	0.8
61.02929	1.6
67.05509	11.9
69.03439	1.1
69.07072	6.5
69.78463	4.4
71.04994	2.5
72.69743	0.8
73.02921	1.1
79.05499	5.1
81.03428	1.5
81.07063	40.1
83.04983	3.1
83.08634	5.2
85.02911	3.5
85.06537	2.1
86.63968	0.8
90.93445	0.7
91.05487	9.8
92.82399	0.8
92.88889	0.8
93.07040	5.8
95.04961	0.9
95.08621	7.5
97.02882	1.0
97.06565	4.2
97.08416	0.8
98.31345	0.8
99.08122	1.5
101.06017	1.0
105.06389	1.5
105.07040	18.2
107.08607	6.9
109.06525	2.8
109.10133	1.0
112.56336	0.9
113.06004	1.5
119.08580	14.4
121.10155	12.7
123.08079	1.8
123.11716	17.8
127.03970	0.9
127.07536	1.8
133.10167	2.1
137.13316	1.1
141.09134	0.9
145.10158	0.9
147.11700	45.0
148.12025	0.9
157.10165	1.1
165.12772	20.3
175.11197	2.1
183.13843	1.8
193.12300	1.4
216.07620	3.2
217.08369	2.1
229.14369	8.5
267.15930	32.7
285.16983	100.0
286.17157	2.0
301.07056	2.4
302.07477	2.1
303.07971	7.0
371.70148	0.9
411.20514	1.5
421.14685	7.9
447.22412	3.9
465.13672	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	465.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11238	1.9
52.61103	2.0
55.01876	2.3
55.05505	6.5
57.03429	5.7
61.02909	2.3
64.85321	2.6
67.05507	17.1
69.03419	5.0
69.07054	8.6
69.31335	20.0
71.04987	2.6
76.00763	2.4
79.05471	9.4
81.03410	2.9
81.07063	52.5
83.04977	6.2
83.08621	5.2
83.35271	2.0
85.02888	9.4
85.06564	3.7
87.04429	2.4
91.05479	12.1
93.07048	6.6
95.08621	14.2
97.02870	5.5
97.06522	3.9
105.07049	17.6
107.08584	9.1
119.08602	13.8
121.10142	12.8
123.04440	2.8
123.11710	17.6
127.03916	2.5
133.10126	4.7
137.05966	2.6
138.05516	2.7
145.10168	2.1
147.11693	46.6
156.08914	2.4
157.10150	3.4
165.12770	16.7
193.12247	3.1
195.02850	3.3
229.14381	7.8
245.32045	2.4
267.15991	31.1
267.19150	3.4
285.16974	100.0
285.20203	4.1
286.04688	3.1
288.05127	5.4
301.07050	12.9
302.07391	8.0
303.04706	24.9
303.08179	15.6
303.13336	12.3
334.42987	2.7
465.12231	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	465.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58277	1.3
57.03432	1.6
66.16903	1.8
66.37584	1.5
69.03434	4.4
71.04992	1.3
71.52390	2.1
81.03436	5.0
85.02927	10.3
91.05479	4.6
93.07063	2.4
97.02268	1.4
97.02885	4.9
105.07031	3.2
107.04947	4.5
107.08600	3.4
109.02905	4.5
119.04980	2.2
123.04453	6.5
127.03934	3.6
131.04958	1.6
132.95865	4.6
135.04437	6.1
135.11714	2.2
137.05988	12.8
141.05486	5.0
144.95853	3.1
145.04941	1.9
147.04448	8.6
150.03119	2.3
153.05545	3.5
153.12747	1.8
158.97408	5.4
163.03926	3.5
165.04158	2.9
165.05496	41.0
169.05011	12.6
169.06334	2.5
174.96912	3.0
176.98427	2.0
177.05487	2.4
178.02684	1.8
186.96825	1.6
193.04987	100.0
197.06032	3.4
215.07057	1.8
216.97975	5.4
217.93440	1.6
225.05653	2.5
234.99016	30.3
243.06506	1.4
253.00026	2.6
253.04823	1.9
258.81125	1.6
267.06775	3.4
270.05319	3.6
271.06219	1.9
275.09106	4.3
285.07684	14.7
297.07483	1.8
303.05017	8.6
303.08621	10.7
327.08731	2.1
351.08969	3.3
369.09949	6.3
387.11011	16.0
405.12125	15.8
447.17117	1.9
465.15906	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	465.1184
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
53.02095	0.2
55.05502	0.7
57.03418	0.3
60.84047	0.3
65.03939	0.3
67.01829	0.3
67.05514	1.6
68.99794	0.4
69.07059	0.4
70.17765	1.1
79.05472	1.2
79.71576	0.2
80.80336	0.2
81.03392	0.7
81.07076	1.3
83.05002	0.3
83.08629	0.2
85.02910	0.5
90.71355	0.2
91.05501	2.5
93.07043	1.6
95.04959	0.9
95.08598	0.9
97.06499	0.5
102.04658	0.9
105.07020	1.1
107.04950	0.6
107.08605	1.0
109.10161	0.8
110.03658	0.7
115.05398	0.3
117.03425	0.4
118.04152	0.4
119.04948	1.4
119.08558	0.6
121.06492	0.3
121.10131	0.5
123.04382	0.9
125.05991	0.3
130.04170	1.3
131.04895	0.5
131.08565	0.3
133.06502	0.3
133.10095	0.4
135.04442	0.7
135.11687	0.7
136.05165	1.1
137.02351	0.5
137.05984	1.4
145.10138	0.4
146.03610	2.6
147.04443	2.7
147.11707	0.4
148.05205	3.6
151.03917	0.3
153.01839	4.3
157.10153	0.4
161.05980	2.8
161.09666	0.3
162.06711	0.6
163.03894	1.2
167.07025	0.3
193.12254	0.6
201.05479	0.4
203.03383	3.6
211.13203	0.3
223.18428	0.2
229.04997	4.7
230.13307	0.3
241.04985	1.1
242.05745	10.1
242.33479	0.3
253.04965	3.2
255.06567	0.7
257.04471	45.1
258.05255	16.4
259.06024	0.4
269.04431	1.4
270.05307	1.5
271.05997	1.0
283.06064	0.8
285.03983	7.1
286.04739	30.8
287.05518	13.5
295.06006	0.9
297.03937	4.9
297.07132	0.5
299.05713	1.4
303.04980	2.4
310.04633	0.4
311.05759	0.5
323.05588	0.4
327.05084	2.0
341.06454	1.4
361.06924	0.4
373.07169	0.5
375.08414	0.7
387.08582	0.7
389.06570	0.5
391.08234	0.6
403.08310	1.5
414.07037	0.3
415.08240	0.6
419.07199	0.5
431.07684	0.3
432.08585	2.3
435.10696	4.8
435.16013	0.4
447.10739	13.8
447.27737	0.5
465.11841	100.0
466.12207	2.6
468.57300	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1031
Annotation	Isoquercitrin
Peak:m/z	Relative Intensity
67.01852	0.4
67.05491	0.2
68.99799	0.3
69.03413	0.1
70.45795	0.4
71.04974	0.2
72.08154	0.2
74.55328	0.1
79.05505	0.1
79.29234	0.1
81.03410	0.2
81.07051	0.2
85.02874	0.2
91.05479	0.2
93.07037	0.2
95.04950	0.1
95.08590	0.2
97.02911	0.1
105.03397	0.2
105.07034	0.1
107.08588	0.1
109.02901	0.1
119.08522	0.2
127.03925	0.3
131.08589	0.1
133.02837	0.4
151.03912	1.5
153.01837	4.9
167.07080	0.2
171.02882	0.3
173.02324	0.1
177.01834	0.4
181.08577	0.1
183.04343	0.1
193.12230	0.1
195.02853	0.1
201.05463	0.2
203.03433	0.4
229.04968	0.5
257.04437	1.2
285.03970	0.8
285.20609	0.1
303.04996	100.0
304.05402	0.9
335.13220	0.1
418.74374	0.1
465.10297	1.0
465.18005	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	465.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30277	0.3
51.81544	0.2
53.61264	0.2
55.01865	0.3
55.05498	0.4
57.03436	0.3
61.02938	0.3
64.48255	0.2
67.05511	1.2
69.07059	0.6
69.38662	1.3
69.39072	0.4
79.05501	1.1
81.03411	0.5
81.07061	1.1
83.04962	0.4
85.02891	0.4
85.54227	0.3
89.03905	0.2
91.05484	2.9
93.07024	1.1
95.04956	1.0
95.08601	0.6
97.06535	0.3
98.21524	0.5
102.04662	1.0
103.05457	0.5
105.07050	1.3
107.04938	0.5
107.08584	0.7
109.10148	0.4
110.03659	0.7
115.05445	0.3
118.04176	0.6
119.04962	1.1
119.08551	0.2
121.06452	0.3
121.10158	0.6
123.04428	0.8
123.11699	0.3
124.05183	0.4
125.05955	0.4
130.04150	1.8
131.04906	0.4
133.06482	0.5
133.10162	0.3
135.04387	0.8
135.11737	0.5
136.05202	1.3
137.06006	1.4
145.02831	0.5
146.03647	2.7
147.04428	2.8
148.05229	4.1
149.06036	0.3
151.03862	0.3
153.01845	4.2
157.10133	0.4
161.05988	3.0
162.06764	0.7
163.03902	0.9
203.03403	4.3
211.13049	0.3
213.05508	0.7
229.04987	5.0
241.04996	1.1
242.05748	12.4
253.05014	3.6
255.06544	0.6
257.04471	48.4
258.05258	17.5
269.04428	1.8
270.05255	1.9
271.06082	1.4
283.06046	1.0
285.03976	8.2
286.04742	32.5
287.05518	16.1
295.06067	0.6
297.03958	5.2
299.05542	2.0
303.04999	2.4
323.05475	0.3
327.04944	1.8
341.06720	1.5
359.09213	0.3
360.20999	0.2
361.07001	0.3
373.07275	0.8
374.07779	0.2
375.08789	0.5
375.59497	0.3
387.08627	0.8
389.06525	0.7
391.08322	0.5
403.08157	1.4
404.08801	0.4
415.08246	0.7
420.08563	0.4
431.07925	0.4
432.08563	2.8
435.10812	4.5
447.10754	15.7
448.11151	0.3
465.11868	100.0
466.12112	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1028
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03942	0.5
57.03429	0.9
61.02922	4.0
68.99812	0.3
69.03437	2.1
70.15421	0.7
70.15813	0.6
71.04988	0.5
73.02911	1.1
81.03421	0.8
85.02912	6.8
91.03957	1.9
93.65726	0.3
95.05011	0.6
97.02901	3.4
101.18967	0.3
101.83263	0.3
107.04935	0.3
109.02892	1.0
111.00807	0.9
121.02863	0.9
123.04498	0.4
127.03942	1.1
137.02357	3.4
145.04956	1.3
149.02353	0.5
153.01828	4.2
159.04572	0.3
161.05920	0.4
163.03983	0.5
165.01863	2.0
173.06056	0.6
183.02957	0.6
183.04424	0.6
187.03848	0.5
195.02882	0.4
197.17155	0.3
201.05469	2.0
229.05005	4.7
232.03761	0.3
237.03841	0.3
247.06224	0.9
257.04471	2.8
274.04745	0.9
285.04034	1.6
303.05002	100.0
304.05402	1.2
465.14224	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1028
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03947	0.4
55.01867	0.6
57.03426	0.9
61.02692	0.2
61.02933	2.2
68.99795	0.7
69.03143	0.2
69.03434	3.0
71.05000	0.4
71.07752	0.5
73.02894	0.5
78.00517	0.2
81.03002	0.2
81.03403	1.4
85.02904	8.9
87.04472	0.4
91.03952	1.1
93.03416	0.3
95.04993	0.2
97.02895	3.0
97.92746	0.2
99.04423	0.3
109.02880	1.3
111.00828	1.1
115.87691	0.2
121.02863	0.9
127.03928	1.4
137.02336	2.9
145.04953	1.2
149.02350	0.5
150.55864	0.2
153.01831	3.9
161.05984	0.2
163.03967	0.5
165.01854	2.4
166.02678	0.4
173.06036	0.5
183.02893	0.8
183.04358	0.4
187.03871	0.2
201.05429	1.9
219.06517	0.4
228.03879	0.3
229.04988	3.6
247.06044	0.7
248.69432	0.2
257.04477	2.9
274.04697	1.1
285.04196	1.2
303.04996	100.0
304.05374	1.0
328.99896	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.7
55.01876	3.6
55.05518	6.8
57.03441	7.8
61.02925	6.2
67.05508	11.8
69.03426	6.7
69.07061	4.3
70.06577	3.1
71.05019	3.7
71.53677	2.6
71.54070	2.6
72.08138	2.2
78.91795	2.1
79.05505	14.2
81.03425	100.0
81.07063	14.7
83.04974	5.4
83.08626	25.6
85.02898	8.3
87.01981	2.2
91.03948	3.3
91.05481	16.1
93.07039	9.8
95.04972	27.5
95.06041	2.6
95.08602	4.6
97.02913	6.5
97.10184	2.8
105.07012	12.2
107.04978	7.2
107.08613	6.9
109.06499	2.5
110.33933	2.1
111.04455	2.7
111.08110	12.1
119.08591	13.4
121.06453	2.5
121.10172	10.5
125.09634	3.4
129.07008	6.8
131.08562	6.4
133.06541	3.2
133.10135	5.2
142.07790	2.9
145.10110	3.1
147.11676	10.7
149.09624	6.0
157.10172	12.5
163.11179	3.7
175.11223	15.0
177.16382	5.5
193.12250	85.3
211.13217	11.8
216.13937	3.7
218.44206	2.0
252.07657	2.7
260.12857	3.0
267.15942	74.1
285.16974	64.3
301.07062	7.6
301.14557	2.5
302.07477	18.2
303.04892	8.5
309.17081	14.6
375.18051	3.2
390.15485	3.0
429.21051	3.4
464.18622	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	464.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19799	0.2
53.03939	0.3
61.02915	0.5
67.05497	0.5
67.54365	0.2
69.03436	0.5
69.20821	1.8
70.06570	0.5
71.04980	0.2
78.04700	0.3
79.05493	0.5
81.03415	0.5
81.07063	0.3
85.02908	2.2
86.09695	0.4
87.00771	0.2
91.05479	1.3
93.07024	0.5
95.04960	0.5
95.08607	0.3
97.02887	0.7
102.50547	0.2
107.04941	1.2
109.02876	0.3
109.06506	0.7
119.08588	0.3
120.08114	0.3
121.02888	0.3
121.06500	0.3
121.10150	0.4
123.04425	0.8
127.03906	0.7
130.05045	0.3
131.04962	0.3
133.09964	0.2
135.04460	0.2
136.05273	0.5
137.05995	2.8
138.06773	1.3
145.04948	0.6
148.05186	10.2
149.05978	0.3
151.03912	0.7
153.01849	0.5
163.06017	0.3
165.01826	0.3
165.05457	0.5
166.06264	0.4
181.08597	100.0
182.08928	0.5
229.05090	0.3
243.57904	0.2
257.04605	0.3
260.61380	0.2
267.15912	0.4
285.17029	0.3
287.05420	0.3
301.07135	0.4
302.07321	0.7
303.04987	8.2
307.72232	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	464.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90456	1.6
53.03942	2.2
55.01867	5.2
55.05516	9.5
57.03439	4.3
60.13787	1.6
61.02922	5.4
66.75366	2.0
67.05502	11.9
69.03432	3.7
69.50954	5.6
69.51380	6.8
79.05502	11.4
81.03423	100.0
81.07087	9.3
83.04978	4.8
83.08628	23.9
85.02898	7.8
91.04001	2.3
91.05492	17.0
93.07073	8.0
95.04974	29.6
95.08585	3.1
97.02892	5.7
97.06515	3.1
98.21439	3.3
105.07047	13.7
105.14427	1.9
107.04953	6.3
107.08620	4.1
109.06522	2.1
111.04416	2.4
111.08097	11.4
119.08586	9.8
121.06489	3.6
121.10141	5.7
121.67305	1.6
123.04408	2.4
123.08064	2.0
125.09661	1.7
129.06999	8.8
131.08582	8.5
133.06483	3.6
133.10158	4.2
137.09587	2.0
147.08069	2.7
147.11693	7.1
149.09589	6.3
157.10127	13.4
175.11192	14.8
181.10159	3.8
193.12262	93.1
197.61038	1.9
200.81915	2.0
211.13243	7.9
235.13295	3.4
246.78322	1.7
267.15924	64.2
273.14990	2.2
285.16974	66.6
302.07211	4.1
303.04950	2.2
309.17050	15.4
351.17877	1.6
363.18008	2.6
429.21161	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	464.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.5
54.71299	1.8
55.01885	10.4
57.03433	4.7
61.02920	5.7
68.99789	3.1
69.03438	32.2
70.06591	4.5
70.92047	4.0
71.01352	2.1
71.04982	7.4
73.02904	5.0
81.02986	2.3
81.03428	27.5
85.02916	91.8
87.00834	38.3
89.80948	2.1
91.05483	4.6
91.07365	1.7
93.07049	3.1
95.04955	2.2
97.02901	27.1
99.04451	10.8
103.03962	2.2
103.05465	4.4
105.01873	40.8
105.07006	3.2
107.05035	2.3
109.02904	22.9
111.04437	7.8
112.08585	1.9
115.05460	3.0
117.07018	4.6
119.04964	2.7
121.06528	4.4
122.03676	3.4
122.80941	1.8
123.04421	2.6
127.03929	46.9
128.07121	9.1
129.01837	2.0
131.04924	7.6
131.85130	2.0
133.06523	2.1
135.04459	2.6
135.08047	3.1
137.05983	100.0
138.09146	2.0
145.04967	16.8
145.06490	7.4
147.04437	4.4
149.05978	2.6
151.07562	26.0
159.02867	7.9
160.05202	4.3
161.05952	4.7
163.07552	13.4
165.09142	1.9
175.07561	32.5
177.05481	2.4
177.09117	7.2
179.07039	15.2
181.08612	22.1
187.07585	11.2
189.03899	5.4
189.09023	1.9
191.07054	19.3
193.08583	4.3
199.07703	2.6
199.09651	8.0
201.09018	6.4
203.07025	7.9
205.08586	10.8
209.08058	7.7
211.07564	3.9
217.08641	5.6
221.08075	3.7
223.09631	25.7
229.08620	14.7
231.04964	9.5
233.08090	2.5
241.08482	2.7
243.10173	5.5
245.08032	4.4
247.09683	7.4
249.06068	2.9
259.09589	7.4
261.11469	2.2
265.10782	13.6
271.09674	7.7
289.10715	33.8
307.11798	23.9
368.64288	2.0
375.10358	2.5
393.11816	6.4
411.12869	9.6
439.33112	2.5
463.66620	2.2
464.16632	3.0
464.23462	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3784
Annotation	CHEBI:70526
Peak:m/z	Relative Intensity
55.05493	16.3
57.07066	30.5
67.05493	22.3
69.07088	61.8
71.08620	38.6
71.53368	14.8
75.65811	8.4
79.05470	16.6
81.07080	82.1
83.04954	10.2
83.08588	16.0
85.10219	22.8
91.05484	18.7
93.07018	47.1
95.08616	81.7
97.10156	23.1
97.65481	9.2
101.05946	10.3
104.58545	9.8
105.07021	37.7
107.08603	56.2
109.10137	46.8
111.06480	8.9
111.11725	17.2
119.08611	49.4
121.10129	31.8
123.11700	28.1
131.08553	23.2
133.10129	40.2
135.07974	9.3
135.11632	16.4
137.13264	13.3
138.46333	9.7
143.08545	12.1
145.10089	38.7
147.11635	29.3
149.13258	24.9
157.72955	9.2
159.11649	30.6
173.13240	27.1
175.14868	12.8
180.35422	9.6
185.13284	14.7
187.14658	12.0
188.44620	10.1
189.16365	11.8
191.10539	17.3
198.94839	9.4
201.16473	9.9
233.22685	12.4
272.19269	10.0
287.20096	17.1
355.17126	10.6
358.67404	10.1
384.38330	10.3
385.34546	13.3
427.35938	52.1
428.35983	14.5
445.36813	100.0
446.37051	24.0
463.23355	38.8
463.29745	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79248	0.9
53.03954	1.8
55.01875	6.7
55.05521	1.4
57.03431	3.3
58.52068	1.3
60.44465	0.8
61.02920	3.2
62.35206	0.9
65.25274	0.9
67.05494	2.9
68.99801	1.5
69.03438	10.6
69.07072	1.5
70.06582	1.6
71.04981	1.3
71.53782	0.9
72.08163	1.2
73.02914	1.9
79.05499	2.3
80.40568	1.1
81.03415	5.4
81.07053	3.4
82.03780	0.9
83.01363	1.0
83.04951	1.0
85.02911	23.8
87.04483	1.3
87.76179	0.9
91.03960	1.4
91.05461	2.3
93.07053	2.4
95.04972	1.4
95.08615	1.6
97.02911	7.3
98.03198	1.1
98.06068	2.5
99.04458	2.3
103.05450	1.0
105.07037	2.4
106.06593	4.8
107.04967	2.2
107.08612	1.3
108.75957	1.1
109.02885	3.2
109.06485	1.1
109.10164	2.0
111.11683	0.8
118.06555	1.5
119.04918	1.2
119.08590	1.1
120.04458	6.5
120.08112	1.5
121.06541	1.9
121.10137	1.0
123.04414	1.5
127.03945	4.6
129.06960	1.0
130.06537	43.3
133.10088	1.3
137.06012	2.8
139.03931	1.1
140.10747	1.1
143.03378	2.4
144.08121	2.4
145.04987	1.9
147.04401	1.7
148.07584	97.2
149.02260	1.5
153.01840	15.5
153.05478	3.3
158.06033	8.8
158.11775	6.6
161.02382	1.1
162.02742	1.1
163.03931	7.2
167.03423	11.3
168.03735	4.9
172.07602	4.5
176.07077	100.0
179.03484	1.2
181.04974	17.3
181.15971	1.0
182.06082	1.5
184.07469	2.2
186.05563	1.3
190.08562	1.1
191.03568	2.1
193.04956	1.0
193.12250	2.0
196.07600	2.7
198.09297	1.2
200.07079	5.2
203.07019	1.4
204.07413	3.7
209.04460	82.5
210.09186	1.2
212.07054	2.0
218.08090	5.1
226.08537	1.3
228.07373	1.2
231.06563	9.2
232.06909	11.6
238.08711	2.3
245.08189	1.9
246.08429	2.8
254.08131	1.4
256.16806	1.1
259.05981	2.1
260.06335	1.4
266.08081	1.7
267.08923	1.1
267.15958	1.8
270.17978	1.5
274.08038	1.3
284.06345	1.4
284.09177	2.4
285.10251	1.4
286.04791	1.8
286.07806	1.0
287.05017	3.7
301.07098	33.5
302.07394	86.0
302.10324	11.1
303.07910	1.3
307.63232	1.1
320.11307	1.9
324.11539	1.5
336.01236	1.1
446.27545	5.5
464.31030	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	463.3784
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
50.20809	2.4
54.58413	2.5
55.05510	17.1
57.07079	34.9
67.05490	8.1
69.07078	29.7
69.27332	21.3
71.08636	29.6
79.05484	4.1
81.07058	22.4
83.08633	18.1
85.10183	15.9
91.05464	6.1
91.67798	2.5
93.07037	8.5
95.08608	19.3
97.10148	8.7
99.04465	4.0
105.07030	7.3
107.08597	6.1
109.06516	15.3
109.10142	8.0
111.08042	3.1
111.11713	7.9
119.08549	6.9
121.10150	6.0
123.08061	14.3
123.11710	4.0
125.06003	14.1
125.09658	2.9
127.07569	45.1
130.04349	3.2
133.10130	4.0
135.08049	4.1
137.05989	8.0
137.09659	2.9
139.07545	100.0
147.11696	3.1
149.05963	5.3
149.09634	4.1
151.07581	12.4
167.07066	5.9
177.09117	14.3
179.10490	3.2
189.12744	2.8
207.13881	2.8
247.17104	3.2
301.28839	5.9
313.87683	2.7
318.77808	3.2
319.29874	9.8
345.30930	3.4
347.33093	13.4
385.34259	3.9
403.35498	3.5
417.37265	18.5
420.76718	2.6
427.35443	6.4
445.36792	62.8
463.37909	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3783
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
54.39795	2.4
55.05499	10.7
57.07080	34.0
62.73472	2.4
67.05504	3.6
69.07069	26.6
69.16639	11.9
69.17072	14.1
71.08639	23.4
71.11167	2.3
79.05495	6.2
81.07059	17.5
83.08611	16.0
85.10187	17.3
91.05481	4.0
91.50257	2.5
93.07047	8.0
95.08598	15.8
95.52624	2.9
97.06504	3.2
97.10158	9.9
99.04478	3.6
105.07035	3.9
107.08601	4.7
109.06520	16.4
109.10168	8.3
111.11699	5.3
112.99983	2.7
113.83013	3.0
121.10136	5.5
123.08057	9.7
123.11695	5.2
125.05994	11.1
125.13255	3.1
127.07565	46.8
128.38147	2.7
133.10147	4.2
135.08107	3.6
137.05991	7.0
137.09637	3.2
137.79884	2.5
139.07545	100.0
147.11624	4.3
149.05960	4.6
151.07549	7.2
161.00250	3.0
163.07549	3.7
165.09221	2.8
167.07047	6.4
173.60625	2.4
177.09132	17.9
179.10683	2.6
246.69540	2.4
319.29916	10.8
347.33014	13.8
362.74609	2.5
373.31091	5.9
383.74963	2.4
396.16077	2.4
399.35846	4.0
417.37277	19.3
427.35648	6.6
445.36865	54.1
463.31674	4.4
463.37903	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	463.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12481	2.6
52.86776	2.5
53.03934	6.5
55.01875	4.8
55.05518	24.4
55.56050	3.1
57.03419	6.3
65.03934	5.6
65.65415	2.6
67.05511	77.4
69.07077	30.8
71.04993	5.1
71.53709	5.3
79.05067	5.5
79.05498	60.8
81.07065	85.2
83.04974	9.6
83.08635	15.1
85.06528	5.4
89.06042	2.6
89.93942	2.7
91.05486	71.0
92.69110	2.5
93.06487	4.0
93.07053	69.4
95.04955	12.3
95.08617	44.1
97.06529	9.8
97.10145	6.0
102.41029	2.9
105.07040	62.0
106.91030	2.8
107.04952	7.0
107.08605	36.6
109.06529	8.6
109.10144	12.9
111.08089	3.5
115.05531	2.8
117.07024	34.1
118.70219	3.2
119.04908	3.7
119.08602	36.5
121.06520	9.1
121.10150	23.2
123.04417	6.3
123.08067	4.0
123.11679	4.7
128.06227	5.1
129.07045	19.0
131.08578	49.0
133.10132	28.1
135.08076	7.7
135.11702	9.1
137.09653	3.3
141.06963	15.1
143.08595	14.5
145.10138	28.9
147.08081	5.8
147.11697	7.5
149.09627	6.3
149.13283	16.9
150.09021	3.1
155.08575	12.7
157.10121	15.0
159.11714	17.9
161.13272	3.9
163.07608	4.7
164.07776	3.1
169.10149	9.4
171.11700	10.5
173.13246	4.7
177.12730	6.2
185.13313	8.2
187.14807	5.7
191.14369	3.5
194.11790	11.7
195.12022	12.5
195.13861	7.2
197.13210	5.7
199.14711	3.2
201.12724	3.5
201.16461	3.1
209.08138	8.3
209.13312	4.6
211.14838	3.0
217.16029	4.0
225.16510	3.2
240.12344	18.8
241.12619	13.4
261.18497	5.2
286.04639	5.8
292.23355	2.9
301.07150	9.7
325.25342	5.9
335.23715	9.2
343.26334	10.6
353.24722	32.4
371.25818	33.6
389.26810	38.9
394.97269	3.4
427.27997	3.9
445.29565	100.0
463.30606	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3057
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03936	4.0
55.01865	3.8
55.05518	19.2
57.03427	5.9
57.07067	3.1
59.32854	1.2
65.03934	3.2
67.05510	73.4
68.59824	1.2
69.03412	1.7
69.07074	22.5
71.04995	6.3
73.02896	1.6
79.05499	48.5
81.03416	3.6
81.07061	89.6
83.04980	7.6
83.08626	17.1
85.02920	2.0
85.06541	4.0
91.05487	21.6
93.07052	68.0
95.04977	7.1
95.08611	26.6
97.06531	13.4
97.10188	2.5
99.08099	3.2
105.04557	1.7
105.07039	12.3
107.08600	38.0
107.31450	1.6
109.06528	2.6
109.10173	8.3
111.08093	9.2
117.07024	8.9
119.08578	4.8
121.06535	2.1
121.10149	20.5
123.11697	2.8
123.66279	1.5
131.08586	15.1
133.10114	10.2
135.08058	2.1
135.11693	9.9
139.07532	1.6
143.08568	1.7
145.10161	2.3
147.11684	2.4
148.08273	1.4
149.13264	44.8
157.10147	2.2
159.11699	15.3
177.12758	10.4
190.43439	1.6
191.56882	1.5
195.13824	18.0
213.14850	3.7
251.16568	1.8
286.04672	1.6
294.15427	1.6
296.10403	1.6
300.63794	1.4
322.51669	1.5
353.24585	2.5
371.26041	1.7
388.00815	1.9
389.26865	1.9
397.20911	1.5
445.29498	7.2
463.30585	100.0
464.31226	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	463.3056
Annotation	Verbacine
Peak:m/z	Relative Intensity
50.50383	1.0
53.03941	4.5
55.01870	4.0
55.05515	20.3
56.96568	1.5
57.03440	7.4
57.07063	2.3
59.58158	1.1
65.03933	5.0
66.02389	1.0
67.05508	76.4
69.03424	1.8
69.07071	27.2
70.98452	1.9
70.98808	1.3
71.04990	6.9
77.03911	1.3
79.05498	52.3
81.03411	3.5
81.07062	100.0
83.04974	7.0
83.08624	18.4
85.02889	1.9
85.06554	5.8
91.03972	1.7
91.05485	41.9
93.07049	73.7
95.04984	6.4
95.08614	28.5
95.09106	0.7
97.06534	13.2
97.10167	3.3
97.97971	1.1
99.08103	3.0
105.04543	1.9
105.07036	26.9
107.04961	2.5
107.07880	1.8
107.08604	38.0
109.06509	5.4
109.10176	7.8
111.08085	6.6
117.07011	18.7
119.08594	13.5
121.06492	2.7
121.10147	22.6
123.08060	2.2
123.11718	4.2
124.17038	1.0
125.09636	1.7
128.06169	2.4
129.07008	8.3
131.08582	25.4
133.06490	1.4
133.10139	15.3
133.11079	1.5
133.39694	1.1
135.08110	2.5
135.11684	11.3
135.28288	1.1
139.11224	1.7
141.07014	3.0
142.07822	1.2
143.08568	7.4
145.10126	11.1
147.08141	1.8
147.11705	4.5
149.13264	34.5
151.11217	2.2
155.08556	3.8
157.10165	4.5
159.11702	21.8
166.83955	1.2
167.08496	1.3
167.14380	1.9
169.10115	3.3
171.11714	4.0
173.13246	2.6
177.12796	7.2
181.10123	2.7
183.11653	2.6
185.13303	2.1
195.11922	2.5
195.13794	19.4
197.13281	2.9
200.75569	1.3
211.14839	2.0
213.08154	1.2
213.14861	2.6
223.15105	1.2
233.15436	1.7
251.16348	2.1
261.18515	1.7
267.91199	1.3
269.10651	2.6
301.07159	1.7
302.06070	1.2
316.11783	1.7
316.22641	1.1
325.25314	2.1
335.23672	1.9
343.26437	4.1
353.24719	10.6
371.25858	14.2
389.26791	10.1
427.28177	1.3
436.47971	1.2
445.29520	36.2
463.30594	99.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.6
55.01871	5.8
55.05520	24.4
57.03449	12.8
57.07080	2.9
59.05044	2.6
65.03949	3.9
67.05511	71.0
67.28247	1.4
69.03448	2.4
69.07079	21.7
70.07957	5.3
71.05002	6.6
72.08195	1.5
77.03962	1.9
79.05085	1.1
79.05498	62.2
81.03440	5.4
81.07063	69.0
83.05009	6.3
83.08627	13.5
85.02917	1.7
85.06554	4.0
86.25436	1.6
89.09440	1.7
91.05487	73.1
93.07050	56.6
93.07631	2.2
94.07411	2.1
95.04977	13.4
95.08617	42.0
97.02918	2.2
97.06556	6.5
97.10198	4.9
99.08125	2.1
103.05499	4.1
105.07040	62.7
107.04999	7.2
107.08607	31.5
109.06561	5.7
109.10168	17.9
111.08111	4.5
115.05508	4.5
117.07024	32.9
119.08588	44.2
121.06542	8.8
121.10149	17.0
123.04460	1.8
123.08086	3.3
123.11755	4.9
125.09669	4.7
128.06259	4.7
129.07022	18.8
129.07913	1.9
130.07870	2.4
131.08578	55.8
133.06532	4.6
133.10152	27.9
133.11099	2.1
135.08115	5.8
135.11702	12.4
137.09682	3.2
139.85185	1.5
141.07028	8.7
142.07813	2.4
143.08574	21.0
145.06526	3.9
145.10139	31.9
145.11142	2.5
147.08121	6.4
147.11691	7.7
149.09647	7.9
149.13362	5.8
151.11253	3.5
154.07806	1.9
155.08559	11.4
157.10135	15.2
159.08124	3.4
159.11700	15.4
161.09695	4.0
161.13324	3.3
163.11211	4.0
164.00421	2.0
167.08632	2.5
169.10147	11.2
171.08092	1.7
171.11678	9.6
173.09705	2.7
173.13275	7.7
175.11256	3.0
177.12755	3.9
177.61374	1.6
179.76804	2.0
181.10213	3.3
183.11786	6.6
185.11797	1.8
185.13193	8.2
187.11244	3.7
187.14873	4.8
193.12340	1.8
195.11864	5.1
195.13852	2.8
197.13356	6.8
199.11241	2.7
199.14877	2.8
201.12889	2.2
201.16368	2.4
203.14394	3.0
209.13339	4.3
211.14917	5.0
213.16512	3.5
215.14357	2.8
219.14037	2.3
223.14934	3.4
227.14641	1.9
233.15443	3.6
235.16983	1.9
244.06364	2.0
245.15454	2.5
247.17039	3.9
258.05380	2.8
259.17038	2.5
261.18683	4.4
273.18677	4.8
286.04919	6.6
289.18045	2.0
301.07065	19.0
307.23975	1.7
325.25494	7.4
335.23624	8.8
343.26328	12.7
351.25412	2.2
353.24762	31.3
371.25867	47.2
389.26892	44.4
427.28830	4.9
445.29541	100.0
463.30798	74.2
464.31174	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3056
Annotation	Verbacine
Peak:m/z	Relative Intensity
51.02390	1.1
53.03955	3.4
53.63413	0.7
55.01881	3.4
55.05265	1.0
55.05515	14.3
57.03198	0.9
57.03435	5.3
57.07084	3.3
65.03934	3.4
67.05507	67.6
68.05814	0.7
69.03428	1.8
69.07071	25.1
70.12891	2.0
71.05007	5.8
77.03942	1.0
79.05499	45.8
79.45898	0.7
81.03430	7.4
81.07061	93.3
82.07433	0.7
83.04987	7.5
83.08621	16.3
85.02885	1.2
85.06548	4.9
91.05485	28.8
93.07047	61.9
93.49805	0.7
95.04965	6.1
95.08614	23.6
97.06541	11.6
97.10175	2.1
98.20898	0.8
99.04496	1.1
99.08110	1.9
105.04543	1.8
105.07039	15.1
107.04989	2.3
107.08601	36.3
109.06541	3.7
109.10151	8.7
111.08090	6.5
113.06006	0.8
117.07015	10.0
119.08582	6.6
121.06535	2.5
121.10152	17.1
123.08088	1.7
123.11696	4.3
125.09663	1.1
129.07042	3.3
131.08580	12.3
133.10139	16.5
135.08078	2.0
135.11696	11.2
137.06056	1.1
139.11230	1.2
143.08617	1.8
145.10153	2.6
147.11742	2.5
149.09653	0.9
149.13274	34.7
150.13722	0.9
151.11185	4.4
153.09164	0.8
155.08615	1.1
157.10138	1.7
159.11707	17.3
167.14406	1.0
173.13364	1.1
177.12730	7.5
179.10768	0.9
182.83603	0.7
193.12270	1.6
195.13806	20.9
208.61577	0.7
213.14909	3.2
227.12776	1.2
233.15428	1.0
239.44724	0.7
251.16365	0.8
253.14355	4.6
286.04797	1.4
301.07089	7.4
353.24893	2.7
371.26074	3.5
389.26929	2.9
445.29929	6.9
463.30713	100.0
464.31174	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	463.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.9
53.03942	5.3
55.01874	5.5
55.05512	32.0
57.03436	9.1
57.07055	2.7
65.03952	5.1
67.05510	87.8
69.03433	2.8
69.07072	28.1
71.04993	4.6
71.93777	1.3
79.05499	64.5
81.03416	4.6
81.07061	78.2
83.04984	6.5
83.08629	17.7
85.06554	4.6
89.03957	1.9
91.05489	82.4
93.07053	66.4
94.98666	1.8
95.04971	9.6
95.08616	50.1
97.06531	9.6
97.10183	5.6
99.08125	2.1
103.05499	2.4
105.04522	2.0
105.07041	67.9
106.21899	1.4
107.04951	7.6
107.08604	34.4
107.09309	2.9
107.23073	1.5
109.06517	9.6
109.10167	18.2
111.08100	5.6
115.05468	4.8
116.06287	1.9
117.03398	5.5
117.07026	31.4
119.08591	42.9
121.06510	8.2
121.10165	21.7
123.08054	8.0
123.11732	4.5
125.09655	2.3
128.06258	4.4
129.07018	23.5
130.07805	2.4
131.08583	56.5
133.06502	4.1
133.10152	27.7
135.08105	7.0
135.11713	13.9
137.09625	4.3
139.11253	1.6
141.07005	6.6
143.08571	23.1
144.09360	1.9
145.02869	16.7
145.06546	5.0
145.10132	34.1
147.08080	5.6
147.11731	8.7
149.06017	4.0
149.09639	6.6
149.13275	14.8
151.11186	4.8
155.08568	10.9
157.06494	2.1
157.10143	12.9
159.08095	3.5
159.10425	2.6
159.11681	20.3
161.09668	4.4
161.13277	5.2
163.04074	2.0
163.11243	1.8
167.08623	5.0
169.10132	10.8
171.08043	2.9
171.11765	10.8
173.13322	6.5
175.11215	1.5
177.05493	31.8
177.12791	2.9
181.10184	5.3
183.11708	8.5
185.09668	1.6
185.13324	5.9
186.05565	2.1
187.11238	1.7
187.14867	3.6
191.10815	2.0
195.06541	10.6
195.11986	7.2
195.13739	8.0
197.13284	8.7
199.11147	2.2
199.14839	5.2
201.12772	2.0
201.16414	1.9
205.15851	2.4
209.13330	6.6
211.14903	4.6
215.14372	2.6
215.18027	2.5
219.13853	1.7
219.17441	1.9
223.14894	4.1
225.16310	3.1
229.16077	2.6
233.15413	3.8
237.16568	2.3
241.15981	2.7
245.15396	2.0
247.17050	5.6
251.20152	3.7
255.17418	3.4
259.17035	4.6
261.18619	4.5
271.17020	2.2
273.18613	2.5
286.04797	3.8
301.07065	14.5
325.25201	6.9
335.23621	9.4
343.26382	12.5
353.24741	37.0
371.25842	50.4
378.28918	1.6
389.26880	47.2
389.31693	2.7
427.28519	5.4
445.29544	100.0
463.30695	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	463.1236
Annotation	Luteorin 5-methyl ether 3'-glucoside
Peak:m/z	Relative Intensity
55.01878	0.6
55.05528	0.6
57.03427	1.9
59.80663	0.4
63.30535	0.5
67.05478	0.7
69.03423	0.8
71.08192	0.8
79.05497	0.5
81.03402	0.8
81.07064	1.0
84.04483	1.1
85.02880	1.8
86.09725	0.5
93.07053	0.8
95.08619	0.8
97.02884	0.9
109.10161	0.5
111.04375	0.6
112.47038	0.5
112.55270	0.5
119.08527	0.6
121.02721	0.5
121.10149	0.5
131.03439	0.4
137.02347	8.2
137.05945	0.8
138.03748	0.8
139.03934	1.0
141.06956	0.5
145.02853	0.7
145.06387	0.4
147.04427	0.5
150.03123	1.1
157.06454	1.6
161.06039	0.6
166.03275	1.1
167.03563	1.0
169.06474	0.9
171.04561	0.6
175.03941	0.8
177.05487	1.3
178.05789	1.5
185.05963	1.0
187.03935	0.6
188.04643	0.6
189.05505	1.9
191.03401	0.8
194.02414	0.5
195.02982	0.5
197.06029	4.3
198.05763	0.5
211.05435	0.7
211.07433	0.8
212.04726	0.6
213.05492	12.4
215.03346	0.7
225.05432	1.4
227.06984	1.8
241.04965	12.2
245.08069	0.6
255.06311	2.1
268.03702	1.4
269.04456	13.1
273.07492	0.6
283.05923	1.2
284.07837	1.6
286.04691	4.8
298.09576	0.6
301.07077	100.0
302.07504	1.5
315.10071	1.1
316.10406	3.1
375.47150	0.6
463.21027	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	463.1238
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
53.03944	0.3
55.01863	0.6
55.05499	0.5
56.57097	0.1
57.03423	0.6
59.04982	0.2
61.02930	0.7
67.01867	0.3
67.05494	1.1
67.59387	0.1
68.99787	0.5
69.03139	0.2
69.03436	1.8
69.07054	0.5
70.06579	0.2
71.04994	0.4
73.02907	0.4
79.05484	0.6
81.03432	1.3
81.07058	1.3
83.04958	0.4
83.08607	0.3
85.02908	4.3
85.06538	0.3
87.00783	0.2
87.04456	0.2
91.03949	0.4
91.05488	0.7
93.07013	0.8
95.04989	0.3
95.08600	0.5
97.02892	1.9
97.06515	0.1
97.10146	0.2
99.04445	0.5
105.03350	0.8
105.07035	0.9
107.04951	0.8
107.08591	0.4
109.02869	0.5
109.10169	0.4
111.04430	0.3
115.05455	0.2
117.07001	0.2
119.04969	0.2
119.08601	0.3
120.08128	0.2
121.10130	0.2
123.04427	0.7
123.11688	0.2
127.03902	1.1
128.06175	0.2
129.07013	0.3
130.06548	0.4
131.04984	0.2
131.08492	0.2
133.10138	0.4
135.04422	0.4
135.11647	0.2
137.02364	0.3
137.06007	0.3
145.04959	0.5
147.04427	0.3
147.08109	0.3
148.07594	0.8
149.02370	0.4
149.13277	0.2
153.01788	0.4
157.10112	0.2
159.11752	0.3
161.02353	2.2
161.05989	0.6
163.03899	1.1
163.11006	0.1
167.03409	8.8
171.04355	0.5
174.06786	0.2
175.03934	0.6
175.07570	0.9
176.07069	0.6
177.05417	0.2
177.12720	0.4
179.03438	0.2
179.14381	0.2
185.05931	0.4
188.04677	0.4
199.07747	0.2
202.06253	0.2
203.07030	4.3
205.04953	0.2
209.04456	0.6
209.56531	0.1
212.04703	0.2
214.06389	0.1
216.04262	0.8
217.05000	0.2
217.08684	0.8
219.06506	0.2
226.21193	0.1
227.07088	0.6
230.05780	0.5
231.06531	15.2
233.08057	0.4
240.04256	0.3
240.07597	0.2
242.05814	0.2
243.15909	0.5
245.08096	3.7
245.10425	0.3
255.06567	0.7
258.05258	1.0
259.06061	1.7
267.09070	0.5
269.17453	1.3
273.07486	1.3
283.06046	1.4
285.07538	1.4
285.10220	0.6
286.04770	3.1
301.07065	100.0
302.07300	1.1
317.12857	0.2
324.11395	0.3
325.07266	0.2
331.08203	0.3
343.08038	0.4
419.17502	0.2
429.17627	0.3
445.19724	0.2
445.25522	0.3
463.12329	0.5
463.26974	0.3
463.30414	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1238
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
61.02950	0.1
62.13071	0.1
69.22667	0.9
81.07075	0.1
93.07085	0.1
95.08656	0.1
97.02934	0.1
98.20792	0.2
130.59856	0.1
135.11676	0.1
153.01843	0.7
167.14029	0.1
229.04881	0.2
241.04955	0.2
254.22626	0.1
257.04477	0.1
258.05270	14.6
269.04300	0.2
281.07965	0.1
283.15387	0.2
285.04004	0.1
286.04739	37.9
287.05118	0.5
301.07080	100.0
302.07407	1.3
412.22964	0.1
463.12384	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1238
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
50.80989	0.2
51.93374	0.2
53.03934	0.3
55.01869	0.3
57.03421	0.9
61.02935	1.2
67.77393	0.3
69.03140	0.2
69.03438	2.5
69.98866	1.0
73.02901	0.4
81.03395	1.1
81.07049	0.4
83.01394	0.2
85.02914	6.7
87.04461	0.5
90.37637	0.2
91.03944	0.5
95.80649	0.2
97.02906	2.4
99.04469	0.5
109.02884	0.8
121.40726	0.2
127.03912	1.4
133.10223	0.2
135.04449	1.6
137.02339	0.4
139.03900	2.9
145.04955	1.1
147.60669	0.2
153.01831	3.2
161.05975	0.2
165.01833	1.2
183.02919	0.4
229.04916	1.3
230.05717	3.2
241.05028	0.3
242.05803	0.2
245.08020	0.4
257.04489	0.5
258.05267	4.5
269.04520	0.4
269.17490	0.3
272.06793	0.7
286.04712	5.0
301.07086	100.0
302.07452	1.0
327.31183	0.2
379.68924	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18317	1.2
53.03949	8.0
55.01875	8.9
55.05513	1.7
56.05019	3.1
57.03432	5.5
58.99575	1.3
60.04512	2.4
60.94917	1.2
61.02923	6.8
66.05790	1.2
67.05515	2.0
68.99794	2.5
69.03432	34.4
69.74664	7.2
70.06590	9.6
71.05000	7.0
72.08166	1.8
73.02923	9.4
76.02219	5.9
77.97549	1.6
79.05488	1.8
81.03426	37.7
81.07062	3.1
83.01333	1.5
84.04513	7.3
84.08154	3.0
85.02910	100.0
86.09741	3.6
87.00837	41.8
90.05508	1.3
91.03956	2.1
91.05496	4.7
96.08160	1.7
97.02897	37.0
98.06065	1.2
98.09721	2.2
99.04453	17.7
103.03957	2.4
105.01875	46.6
105.07047	2.3
106.05052	2.2
107.08596	1.3
108.04501	4.1
109.02135	1.8
109.02887	32.8
111.04436	2.5
114.05528	2.1
117.01886	3.3
119.08609	3.7
122.03569	1.6
126.05522	2.3
127.03924	68.7
129.01845	4.9
129.07062	1.4
130.05017	11.5
131.04991	1.7
133.10149	1.8
137.05986	85.4
138.06412	1.6
139.03856	3.2
145.04970	40.6
145.06236	2.0
147.02888	3.7
147.08057	9.6
151.07576	6.2
156.08456	6.2
157.06755	4.3
158.02711	1.7
158.48907	1.3
159.02899	23.4
161.06000	8.6
161.09566	1.4
163.07599	3.9
169.06396	1.3
171.08061	2.6
174.06812	2.6
174.09508	8.0
175.07520	4.4
176.14334	5.1
177.05537	2.6
177.09131	2.7
179.07051	12.7
179.10680	19.3
187.07484	1.5
189.03957	1.5
189.09178	4.4
191.10703	2.7
197.11624	9.0
201.09180	2.6
203.07062	6.2
203.10687	16.6
205.08629	1.6
207.10173	13.6
213.03923	4.1
215.10648	1.5
217.08521	2.2
221.11732	19.5
227.10701	2.9
229.08534	6.2
231.05032	17.2
239.12804	6.5
243.13493	1.5
245.08118	4.1
245.11710	6.1
247.09604	2.7
248.07690	2.0
249.06113	3.5
263.12875	7.0
265.14450	1.4
269.11801	2.6
273.12650	4.2
275.06979	5.2
287.12805	44.8
296.71408	1.3
301.07047	5.6
301.16464	1.6
302.26251	1.6
305.13864	9.7
327.13693	1.6
346.24991	3.8
373.13782	1.9
390.27731	2.0
391.13702	2.0
418.27127	8.4
426.23865	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1238
Annotation	Ombuin 3-arabinofuranoside
Peak:m/z	Relative Intensity
53.03918	0.2
55.46359	0.2
57.03420	0.2
61.02931	2.4
64.02289	0.2
67.05485	0.4
69.03403	0.5
70.02103	0.4
70.02505	0.7
71.04970	0.3
73.02883	0.8
81.03395	0.6
81.07008	0.6
85.02917	2.2
91.03987	1.2
91.05455	0.3
93.06990	0.4
95.08553	0.3
95.65641	0.2
97.02901	1.3
98.20724	0.2
127.15723	0.2
129.05464	0.2
135.04393	0.7
135.07645	0.3
136.01526	0.2
137.05881	0.2
137.36826	0.2
139.03885	1.2
145.04968	0.3
153.01831	1.8
161.05898	0.3
165.01799	0.6
178.02544	0.4
213.05516	0.3
221.09239	0.4
229.04901	0.4
230.05756	1.2
242.03462	0.3
242.05629	1.4
243.15849	0.3
245.08096	0.3
257.04471	0.4
258.05261	4.9
269.04474	0.7
269.17447	0.5
270.05246	8.2
272.06842	0.3
273.04004	1.2
285.07623	0.6
286.04742	6.3
287.05530	3.5
299.05530	0.5
301.07077	50.6
302.04190	1.8
302.07434	0.6
313.03473	0.6
315.04999	30.6
316.05737	3.7
317.06436	0.6
331.08136	100.0
332.08517	1.2
463.12491	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.2
55.01875	5.2
55.05514	1.4
56.96558	0.9
57.03428	3.6
61.02933	5.4
63.86057	0.8
67.05505	1.9
68.99780	2.2
69.03432	21.5
69.21979	0.8
70.06593	1.5
70.16924	1.0
70.17259	3.5
71.04987	3.6
73.02927	6.5
79.05509	2.0
79.92130	0.8
81.03420	20.8
81.07056	2.1
82.07409	0.9
85.02909	58.8
87.00837	21.6
91.03951	2.0
91.05492	1.7
93.07062	1.7
95.04974	10.7
95.08619	1.5
97.02901	21.7
98.06059	0.9
99.04457	10.3
99.08043	0.9
105.01872	21.2
105.07049	4.3
108.04479	6.1
109.02880	22.9
109.10164	1.6
117.01862	3.5
121.10193	0.8
126.05526	3.1
127.03925	40.6
129.01842	3.3
129.85085	0.9
133.06499	2.6
137.05969	4.5
137.09552	1.7
140.04663	3.0
145.04961	19.6
147.02908	2.5
153.05466	1.5
155.07010	2.5
159.02905	12.2
165.09111	32.0
182.09427	2.0
189.04019	1.1
197.11743	100.0
209.11731	1.7
209.22055	0.9
213.03954	3.1
223.09631	2.4
230.06566	2.5
231.05019	8.5
248.07707	4.6
249.06157	1.7
266.08826	1.4
286.04562	1.0
300.09332	1.3
301.07166	1.5
305.13922	1.4
462.28760	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.9
55.01874	8.3
55.05519	1.8
56.59376	1.1
57.03435	4.2
61.02938	6.4
68.99795	2.6
69.03439	33.6
69.07073	1.4
70.06603	2.2
70.85030	3.0
70.85399	1.5
71.04994	5.0
71.83746	1.4
73.02918	4.0
73.63648	1.1
79.05518	1.3
81.03425	21.1
81.07069	2.2
85.02913	82.2
87.00843	37.1
90.09841	1.3
91.03992	2.5
91.05480	4.2
94.04142	1.4
95.04991	1.3
97.02904	26.4
97.06541	1.8
99.04465	11.4
100.11228	1.3
101.02382	1.4
105.01878	46.6
105.02583	2.5
107.04976	3.4
108.04514	2.3
109.02901	24.0
109.72496	1.3
111.04476	2.2
115.03949	1.7
117.01874	3.1
117.07063	1.3
119.08605	5.7
121.10065	1.3
122.03644	4.4
125.06005	1.6
126.05569	1.5
127.03932	52.4
129.01857	3.3
129.07085	1.6
131.04944	2.8
132.41946	1.3
137.05994	100.0
145.03922	2.1
145.04977	19.4
147.02888	1.9
147.08057	13.3
151.07590	6.9
159.02905	10.8
161.06006	5.3
161.09621	1.4
163.07628	2.1
175.07567	4.5
177.09135	1.6
179.07080	10.1
179.10695	20.7
187.07613	3.1
189.04042	2.8
189.09120	3.0
191.10704	2.1
201.09117	2.4
203.06990	3.2
203.10684	13.0
205.08716	1.7
207.10182	8.5
213.03899	1.8
221.11757	15.5
227.10904	1.6
229.08667	4.6
231.05064	14.8
239.12749	6.7
245.08076	3.6
245.11794	3.2
248.93053	1.5
249.06096	4.4
255.10265	1.4
259.13229	1.7
263.12796	3.8
287.12778	29.9
301.06985	2.3
305.13870	8.5
313.06937	2.4
400.97415	1.2
462.14465	1.7
462.21338	1.4
470.72321	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2901
Annotation	Hyperielliptone HA
Peak:m/z	Relative Intensity
53.03938	3.0
55.01866	3.7
55.05516	15.9
57.03423	3.7
57.07072	1.4
65.03934	2.5
67.05511	36.0
69.03424	3.4
69.07076	10.1
70.64358	1.1
70.64684	1.6
71.04988	3.5
78.04340	1.0
79.05072	1.7
79.05505	28.2
81.03424	30.4
81.07066	34.5
83.04998	5.3
83.08630	12.3
85.06533	2.4
86.33959	0.9
87.40509	1.0
91.05489	24.7
93.06474	1.5
93.07051	25.9
95.04977	16.6
95.08617	13.3
97.02895	2.1
97.06557	4.1
97.10164	6.5
99.08070	1.7
105.07037	20.2
107.04970	8.0
107.08608	16.0
109.06532	4.9
109.10143	5.3
111.08067	4.6
115.05468	2.4
117.07016	11.4
119.04929	1.4
119.08584	12.3
121.06531	7.1
121.10169	9.9
123.04430	1.1
123.08066	3.3
123.11735	1.9
125.09635	5.8
128.06233	2.0
129.07005	9.6
131.04924	1.9
131.08585	13.3
133.06517	5.4
133.10138	9.0
135.08066	3.5
135.11702	4.1
137.06029	1.1
137.09651	1.4
139.11186	1.2
141.06953	2.4
142.07813	1.3
143.08577	6.1
145.06482	6.4
145.10118	5.3
147.08072	5.7
147.11679	4.5
148.78218	0.9
149.09654	5.0
149.13293	8.8
155.08574	4.8
157.10120	6.6
159.08058	2.4
159.11694	5.8
161.06061	1.0
161.09642	2.2
163.11192	1.1
167.08546	1.5
169.10126	3.4
171.08052	2.2
171.11705	3.2
172.61057	0.9
173.09608	1.2
173.13322	2.7
175.11205	5.6
177.12782	2.4
181.10133	2.1
183.11647	2.1
185.13297	2.0
187.11272	1.6
189.11240	2.6
193.12257	12.4
195.11772	1.2
195.13754	2.1
197.13313	2.7
199.14854	2.0
201.12741	1.2
203.14371	1.6
209.13345	1.8
213.12814	1.3
217.15929	3.9
225.60690	0.9
227.12628	1.5
231.13750	1.3
233.15640	0.9
239.14395	1.9
241.16051	0.9
243.13936	1.0
249.14928	2.8
257.15433	1.8
273.18576	1.6
275.16431	1.3
275.20062	1.1
333.21927	1.9
341.24643	2.4
343.22736	3.1
349.23776	3.0
351.23322	6.0
357.18225	1.0
361.23788	1.1
369.24277	14.5
387.25348	9.0
405.26538	2.1
407.25845	1.1
407.76028	0.8
417.26389	3.7
425.26978	1.5
443.27975	16.4
461.29028	100.0
462.29437	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	462.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63341	0.9
55.01874	14.4
55.09527	1.0
56.05034	2.7
57.03444	6.0
58.99590	1.3
60.04517	3.1
70.36865	2.0
70.37234	1.9
72.04515	2.7
72.48709	0.9
73.40570	0.9
79.05492	1.1
80.05016	2.7
82.06590	1.2
82.99580	2.1
83.06097	5.3
83.20731	1.1
84.04510	24.7
85.01093	1.1
90.05562	4.0
93.05769	1.1
96.08112	1.3
97.01114	3.5
98.02420	1.6
100.02207	2.4
104.05016	1.2
105.05785	2.1
106.05032	2.0
106.06572	2.1
107.06100	1.1
107.07331	3.3
109.07629	5.1
110.06081	1.3
111.02679	5.3
112.02215	1.7
113.04211	1.1
116.01656	1.5
117.00124	2.0
117.03385	2.4
121.67567	1.1
123.02648	4.6
124.02170	3.9
125.00608	1.7
126.03821	1.2
126.05553	1.4
129.06613	3.5
130.05025	5.2
133.05229	1.9
135.05540	1.4
136.03993	1.7
137.05940	1.0
138.03748	15.9
138.98503	1.6
139.02168	5.5
140.05286	13.2
141.00076	2.4
141.03746	1.1
141.06606	1.5
142.03221	3.8
142.05048	1.3
144.99541	1.3
145.02863	6.1
150.03725	3.3
151.02255	1.1
151.03835	1.3
153.06633	3.1
155.08182	1.9
156.04790	1.7
157.03221	5.4
159.07765	1.5
165.06601	1.5
166.03238	57.8
167.01617	12.0
168.04796	20.2
173.02719	4.6
177.05470	12.2
181.06100	4.0
182.06390	8.6
184.04253	12.2
187.05380	2.2
193.04367	1.4
194.02747	11.7
196.04309	1.2
198.05847	9.9
199.04027	6.4
199.07150	2.0
201.34790	1.2
208.04301	1.5
211.05379	18.0
212.03860	3.0
216.06876	7.3
219.07785	2.1
223.05374	26.5
224.03789	1.4
237.08797	1.8
241.06505	3.9
250.05322	6.8
255.08104	3.1
259.07510	1.5
265.06406	14.5
269.04465	1.3
277.47565	1.1
278.04785	1.4
283.07486	58.1
290.59579	1.1
295.07465	1.5
297.09058	25.7
301.08090	4.6
315.10101	100.0
327.10028	1.7
333.10818	1.4
341.08044	2.5
355.09247	1.5
367.09567	1.5
373.10672	21.5
430.12857	1.5
444.14716	1.3
462.15579	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	461.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.8
55.01870	3.3
55.05516	17.5
57.03440	3.8
57.07065	1.2
65.03934	1.7
67.05508	34.7
69.07070	10.1
70.98378	2.4
71.04991	2.9
77.03968	1.1
79.05498	28.9
81.02985	2.1
81.03425	34.6
81.07061	35.1
83.04986	6.4
83.08620	13.5
85.06534	1.4
91.05489	25.8
91.06020	2.1
93.07050	26.9
95.04980	19.4
95.08608	13.9
96.01839	1.1
97.02914	1.4
97.06522	4.1
97.10165	7.2
103.05479	1.5
105.07037	19.8
107.04974	7.0
107.08604	16.2
109.06525	5.1
109.10158	5.5
111.08088	4.3
115.05446	2.0
115.60203	1.0
117.07034	8.3
119.04982	1.2
119.08595	11.2
121.06532	8.1
121.10172	10.1
123.08110	3.1
123.11738	2.1
125.09616	5.2
128.06224	2.5
129.07018	9.4
131.08580	15.2
133.06500	7.6
133.10170	6.3
135.08054	4.1
135.11700	3.8
137.09671	1.1
141.07014	1.6
143.08556	6.6
145.06461	6.3
145.10138	4.9
147.08067	5.1
147.11725	3.5
149.09654	3.7
149.13219	10.1
153.09079	1.6
155.08574	2.1
157.10152	6.7
159.08110	3.7
159.11710	7.0
163.11191	2.5
169.10196	3.3
171.08070	1.4
171.11740	3.6
175.11223	4.9
177.12827	3.1
181.10118	1.7
183.11739	1.4
185.09683	1.6
185.13278	1.7
187.11244	1.4
189.11296	3.3
193.12234	9.7
195.11758	1.2
195.13882	3.3
197.13310	2.9
199.14854	2.7
201.12804	2.4
205.12132	1.3
211.97067	1.2
213.12791	1.5
217.15924	3.7
225.12752	2.0
227.12695	1.7
233.15538	1.6
238.98088	1.1
247.35597	1.2
249.14909	3.1
259.17072	1.5
261.18887	1.2
271.16977	1.6
275.16339	1.2
307.86392	1.1
341.24811	1.5
343.22815	4.6
351.23212	8.3
361.23639	1.5
369.24265	14.5
379.75250	1.1
387.25299	8.9
407.25467	1.3
417.26236	6.6
443.28012	17.0
461.29019	100.0
462.29468	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	461.29
Annotation	Hyperielliptone HB
Peak:m/z	Relative Intensity
53.03940	3.7
55.01860	6.3
55.05518	26.4
57.03436	8.1
57.07079	2.0
58.86707	1.3
61.33992	1.4
63.18118	1.3
65.03929	3.6
67.05512	55.6
67.05874	3.2
69.03439	2.0
69.07076	19.3
69.36359	9.6
71.04991	3.4
79.05499	52.7
81.03419	6.5
81.07064	52.3
83.04990	5.9
83.08619	14.5
85.06539	3.5
91.05487	60.5
93.07055	46.6
95.04977	14.5
95.08621	27.7
97.06562	7.2
97.10166	9.0
98.21468	2.5
99.08092	1.9
103.05473	4.8
105.07040	44.3
107.04987	8.7
107.08598	21.8
109.06539	5.8
109.10160	13.3
111.08101	4.6
115.05455	6.5
117.07024	31.1
119.04924	2.4
119.08596	27.3
121.06553	11.2
121.10129	10.5
123.08064	6.9
125.09621	7.3
128.06224	7.8
129.07014	35.0
130.07793	2.2
131.04951	4.3
131.08580	41.2
133.06508	9.3
133.10164	15.3
135.08084	7.5
135.11691	5.5
137.09627	3.8
139.11194	2.3
141.07002	13.1
142.07797	3.6
143.08580	26.4
145.06514	11.8
145.10126	19.3
147.08064	7.3
147.11690	5.9
149.09659	6.6
149.13275	3.3
151.11240	2.6
153.06958	1.8
153.09108	2.3
155.08557	23.6
157.06517	4.4
157.10155	17.8
159.08076	5.1
159.11714	10.0
161.09613	4.5
161.13336	2.6
161.48706	1.5
163.11212	4.5
163.99751	1.8
166.07826	2.1
167.08603	9.4
168.09312	2.5
169.10161	15.0
170.94225	1.6
171.08090	4.6
171.11693	11.4
173.09683	4.3
173.13274	4.1
175.11243	5.7
175.14893	2.1
177.12811	2.9
179.08543	4.2
180.09375	2.3
181.10158	11.9
183.08034	2.5
183.11671	7.9
185.09676	3.4
185.13249	7.7
187.11172	1.9
189.11244	4.0
189.12856	4.0
189.16385	1.9
193.10120	4.4
193.12317	3.1
195.11700	10.2
197.09697	2.2
197.13315	8.3
199.11284	3.3
199.13159	1.5
199.14864	4.1
201.12776	4.3
203.14320	1.7
207.11810	3.5
207.13708	3.5
209.13246	7.8
211.11301	1.9
211.14850	4.5
213.12801	3.6
213.16487	2.4
215.14348	6.9
217.15910	4.1
221.13327	7.2
223.14836	5.7
225.12794	3.6
225.16487	2.4
233.15456	2.1
235.14835	4.4
239.14304	4.3
245.15393	2.0
249.16365	2.2
253.15889	4.1
257.15378	4.6
259.17065	2.2
271.17029	5.6
285.18527	1.6
303.19727	1.9
323.23639	7.4
333.22052	9.4
341.25031	7.2
351.23190	35.7
359.25778	2.4
369.24268	43.0
387.25320	20.9
407.25797	2.2
415.28574	2.1
417.26022	1.9
425.27008	3.9
443.27975	72.5
461.29028	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.5
52.46845	1.3
53.03936	2.9
55.01848	1.3
55.05499	5.8
57.03437	5.0
57.04315	1.4
67.05507	17.9
69.07054	3.4
69.47758	8.4
79.05071	1.8
79.05497	25.2
81.03400	4.7
81.07055	15.8
83.04988	7.6
83.08632	3.2
85.02885	1.6
85.17000	1.3
90.37064	1.2
91.05482	19.5
93.07053	20.8
95.04964	6.0
95.08634	9.2
97.06506	3.2
97.10171	1.3
105.07030	14.2
107.04953	2.7
107.08609	8.0
109.06509	2.6
109.10142	2.0
117.07014	3.1
119.08577	9.7
119.76726	1.3
123.00965	1.3
129.06995	6.0
133.10117	4.9
143.08560	2.7
145.10114	3.3
147.11678	14.1
161.09567	1.6
161.13231	3.7
171.11740	8.6
189.12708	3.5
201.17542	1.5
207.13818	8.0
214.03845	1.8
220.48302	1.3
281.17493	100.0
301.73355	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.7
55.01872	3.1
55.05518	11.9
57.03434	4.8
60.93912	1.1
63.01981	1.3
65.03921	1.8
67.05507	16.6
69.03429	7.7
69.07077	18.4
70.68748	2.5
70.69079	2.8
71.04996	3.8
71.08640	1.5
79.05500	18.4
81.03439	9.9
81.07061	31.2
83.04998	3.6
83.08637	9.9
85.02911	12.5
85.06542	4.9
87.00849	6.4
91.05489	15.5
93.07047	19.7
95.04974	5.5
95.08611	30.0
97.02905	6.3
97.06529	3.8
97.10175	8.7
99.04494	1.5
99.08096	16.6
105.01904	6.4
105.07037	15.1
107.04967	3.4
107.08604	35.1
109.02894	3.6
109.06503	2.8
109.10164	10.0
111.08096	6.5
117.07005	5.9
119.08593	8.2
121.06528	4.9
121.10150	46.9
123.11726	3.3
125.09645	10.7
127.03930	7.6
129.07010	5.9
131.08556	7.0
133.06529	1.6
133.10120	5.8
135.08102	2.3
135.11731	11.6
137.09656	1.6
137.13269	4.9
139.11186	1.6
141.07022	2.6
143.08600	4.2
145.04982	3.6
145.06490	3.1
145.10155	4.0
147.08107	3.2
147.11751	4.7
149.09593	1.5
149.13278	4.9
151.11230	1.9
153.85164	1.4
155.08598	2.1
157.10185	3.8
159.02876	1.7
159.08073	1.7
159.11732	1.7
161.09686	1.8
163.11108	2.1
165.09114	1.9
167.07205	1.3
169.10135	1.6
171.11662	1.8
172.74754	1.3
177.16403	100.0
189.11276	1.6
192.04166	1.3
193.12260	2.4
195.17467	27.7
197.13297	1.4
211.15007	1.3
213.18509	29.9
213.20450	2.4
217.15973	1.4
219.13812	1.4
231.04933	2.2
257.15326	1.4
283.06262	1.5
284.06665	1.5
292.82043	1.1
299.05838	1.5
299.09183	4.2
341.24670	1.7
351.23102	4.8
369.24075	8.4
387.24905	7.4
405.26358	2.5
443.27936	10.1
461.28909	49.9
481.34296	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	461.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01859	2.5
55.05511	6.7
57.03437	2.6
61.02915	1.3
67.05511	4.6
69.03427	10.2
69.07066	11.1
69.60703	4.4
71.04991	4.3
79.05495	6.2
81.03426	6.9
81.07063	13.5
82.03750	1.6
83.08624	7.6
85.02901	23.6
85.06532	4.1
86.03204	1.6
86.09708	2.3
86.62310	1.0
87.00834	12.4
91.05468	4.4
92.23006	1.0
93.07054	11.9
95.04986	1.4
95.08611	24.6
97.02882	7.8
97.10190	5.0
99.04458	3.1
99.08098	16.0
105.01865	14.8
105.07007	2.7
107.08598	26.1
109.02865	6.8
109.10157	7.9
110.03211	1.1
111.08115	5.6
113.09605	2.2
119.08600	1.7
121.10149	46.9
123.08075	1.0
123.11680	1.8
125.09654	6.6
127.03920	14.3
128.04242	1.4
131.08551	1.2
133.10126	2.5
135.11710	9.1
137.05994	6.9
137.13287	5.7
138.06288	4.4
139.11151	2.0
145.04939	7.1
147.02922	1.1
149.13248	3.3
159.02878	4.3
177.16389	100.0
178.16728	1.0
195.13803	1.1
195.17470	27.0
197.11694	1.7
213.03896	1.2
213.18498	22.6
220.10439	1.1
231.04982	3.6
249.05904	1.2
307.29477	1.0
311.74576	1.0
411.79532	0.9
461.20197	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	461.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32566	0.7
53.03941	1.7
55.01859	1.8
55.05519	4.5
57.07085	1.7
57.07519	0.9
67.05505	2.3
69.03432	6.0
69.07070	11.5
70.54507	2.0
71.04993	1.9
73.63889	0.8
79.05492	3.6
81.03412	3.1
81.07068	10.2
83.08624	5.9
85.02914	11.5
85.06522	2.0
87.00824	4.9
91.05441	2.3
93.06535	1.4
93.07043	10.6
94.18340	0.9
95.08617	24.9
97.02908	5.2
97.10178	4.5
99.08097	13.6
105.01875	8.3
105.07028	2.7
107.08604	26.5
109.02888	2.5
109.10166	6.5
111.08082	7.4
113.09648	1.1
119.08603	1.0
121.10152	48.9
123.11710	1.8
125.09627	6.6
127.03916	7.1
134.67783	0.9
135.11694	9.9
137.13304	4.0
145.04941	3.1
149.13278	3.0
159.02899	1.7
177.16399	100.0
180.04190	2.0
195.06599	2.0
195.17462	22.6
213.07597	6.5
213.13702	0.7
213.18495	25.2
213.20453	1.8
219.34444	0.9
409.93286	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1442
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.38880	0.2
53.03930	0.5
55.01845	0.8
55.05493	0.8
57.03411	0.9
57.07051	0.3
59.00702	0.2
61.02923	1.2
67.05514	1.3
69.03433	3.9
69.07073	1.0
71.04969	0.9
71.53896	0.4
73.02888	0.6
78.08317	0.2
78.74220	0.2
79.05464	0.8
81.03423	2.1
81.07058	2.4
83.04933	0.6
83.08592	0.6
84.08115	0.8
85.02907	7.9
85.06519	0.9
87.00838	1.1
87.04435	0.2
91.05493	3.2
92.05814	1.1
93.07014	0.9
95.04965	0.5
95.08620	2.6
97.02406	0.2
97.02894	2.6
97.06517	0.6
97.10135	0.4
99.04453	1.0
99.08056	0.9
101.02374	0.2
103.03933	0.2
103.05447	0.3
105.01849	0.6
105.07026	0.5
107.04940	0.9
107.08605	1.3
107.09181	0.2
109.02891	1.4
109.06555	0.4
109.10162	2.3
111.08048	0.8
119.08556	0.8
121.10133	1.9
123.08044	0.4
123.11713	0.4
125.09573	0.7
127.03926	2.7
131.08553	0.3
133.06506	0.3
133.10097	0.5
135.04442	0.2
135.11661	1.0
136.12016	0.4
137.02284	0.3
137.05949	0.6
137.09595	0.5
137.13283	0.4
139.11176	0.5
145.04912	0.9
145.06471	0.2
145.10153	0.4
147.07916	0.2
147.11650	0.2
148.05234	1.1
149.13176	0.3
151.03900	0.2
159.02884	0.4
159.11647	0.3
161.05896	0.3
167.10634	0.3
175.14714	0.4
177.09164	0.2
177.16385	2.9
179.10579	0.3
181.06503	0.2
190.02559	0.3
193.15862	0.4
195.10158	0.4
195.13844	0.4
195.17450	1.9
196.10432	0.2
199.07559	0.9
200.00598	0.2
211.07626	0.3
211.16989	1.0
212.08290	0.4
212.17268	0.6
213.05437	0.2
213.14969	0.4
213.18602	2.6
213.70070	0.2
225.05415	0.3
226.06232	0.5
227.06960	0.4
237.05565	0.3
238.06200	1.2
239.06815	0.3
240.07800	0.7
243.10130	1.9
254.05687	0.4
255.06516	10.0
256.07367	1.9
267.06503	2.2
269.04361	0.6
270.05231	4.6
271.09793	0.4
273.93555	0.2
281.04251	0.3
281.08124	0.2
283.06021	7.3
284.06784	15.5
297.07593	0.7
298.08057	0.4
299.09131	100.0
300.09491	1.4
315.08710	0.2
323.09003	0.4
325.06824	0.2
326.07779	0.3
341.10153	3.0
365.10147	0.4
421.01694	0.2
461.14410	9.2
461.35693	0.3
462.14697	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1446
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.58234	0.2
53.03951	0.3
55.01853	0.3
55.05501	0.6
57.03436	0.4
62.40929	0.2
62.42863	0.2
67.05493	0.6
68.41003	0.2
69.03423	0.8
69.07063	0.8
69.42142	1.6
71.04984	0.4
73.02914	0.5
73.34444	0.2
79.05479	0.6
81.03408	0.5
81.07061	2.5
83.08619	0.4
83.72923	0.2
85.02903	1.7
85.06551	0.2
91.05476	0.9
93.07048	0.7
95.04991	0.3
95.08607	1.8
97.02878	0.6
98.20796	0.4
99.08099	0.3
103.03946	0.3
105.01868	0.2
105.06997	1.0
107.04961	0.4
107.08604	1.5
109.02868	0.5
109.10139	0.7
113.02364	0.3
119.08583	0.5
121.10150	2.1
123.11713	0.7
125.09621	1.0
127.03918	0.5
131.04926	0.3
132.05710	0.4
133.06548	0.4
135.11725	0.7
137.05968	0.4
137.13252	0.8
147.11707	1.7
149.13211	0.3
163.03918	0.3
165.12793	0.8
166.02631	0.6
167.03455	0.4
167.06964	0.3
168.05759	0.4
169.06442	0.3
177.16397	3.6
182.07246	0.4
183.08057	1.3
184.03658	1.4
193.12352	0.3
195.17458	1.4
196.05275	0.7
197.06061	0.2
199.55356	0.2
204.14305	0.2
210.06770	0.3
211.07480	1.4
213.05359	0.5
213.18636	1.1
227.06964	1.3
228.07820	1.0
229.14413	0.5
233.06737	0.2
239.07048	2.9
241.05014	0.7
243.10179	3.4
252.04138	0.3
254.05696	0.2
255.06596	0.7
256.07333	6.1
267.06567	0.8
267.15942	0.3
269.04572	0.3
283.05997	1.3
284.06808	16.7
285.07214	0.2
285.17059	0.5
299.09152	100.0
300.09561	1.2
461.14398	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1444
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03952	1.6
55.01876	1.4
55.05509	1.9
57.03437	1.4
58.60490	0.7
67.05518	3.3
69.03434	3.7
69.07074	1.4
69.58311	4.2
70.06596	1.0
71.04992	2.3
79.05496	2.6
81.03417	6.0
81.07055	4.0
83.04997	0.9
83.08619	1.1
84.08147	1.2
85.02905	9.2
85.06563	1.9
87.00829	2.1
91.05470	2.3
93.07034	3.6
95.04973	1.9
95.08608	2.9
97.02899	4.3
97.06513	0.9
97.10161	1.0
99.04508	0.8
99.08088	1.4
103.03942	1.1
103.05443	0.9
105.01894	1.3
105.07008	1.9
107.04961	100.0
107.08597	2.1
108.05302	1.1
109.02876	3.4
109.10178	3.1
111.08074	1.8
113.02350	0.8
117.06956	0.8
119.08572	2.0
121.10159	2.3
125.05979	0.7
127.03938	4.6
129.44530	0.7
131.04910	1.4
131.08600	1.1
133.10146	3.5
135.11671	1.8
137.06029	1.4
141.01961	0.9
145.05005	1.1
147.11693	3.9
149.09618	1.1
159.02861	0.8
159.11679	0.9
165.01817	1.4
171.11726	0.7
171.67732	0.7
175.11215	2.6
175.14813	1.0
177.16357	2.0
189.03925	1.2
189.05490	2.6
193.05031	1.3
195.13940	1.1
195.17424	3.1
203.07083	2.1
205.04956	17.7
206.05696	1.1
208.91931	0.7
210.69800	0.7
211.13132	0.8
213.03854	0.8
213.14870	2.9
213.18494	3.2
217.05028	3.5
227.07034	1.1
229.04958	0.9
230.05742	1.0
231.06548	5.4
235.06029	14.5
237.05525	1.1
238.06277	1.1
243.06578	1.2
244.07234	0.8
245.08162	2.8
255.06529	4.7
259.05927	3.4
266.05917	1.5
267.15936	2.0
269.04474	0.9
271.05978	4.1
282.05121	0.8
283.06039	14.4
284.06879	2.7
299.05551	8.1
299.09100	62.0
300.06345	0.9
300.09528	1.2
301.07071	1.6
311.09140	39.8
323.09320	1.6
325.10577	0.8
337.10632	3.7
341.10202	34.8
351.12210	4.4
365.10220	24.7
366.10776	1.0
377.10208	4.6
379.12021	0.9
389.10062	6.1
395.11264	14.5
407.11246	9.5
425.12363	12.5
443.13275	8.4
461.13852	4.8
461.19711	0.9
461.27655	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1443
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.53332	0.6
53.03949	0.8
55.05516	0.6
60.25306	0.5
61.02940	0.6
67.05487	0.6
69.03432	2.2
69.07062	0.7
70.63870	0.9
70.64190	0.8
71.04996	0.7
79.05501	1.2
81.03416	1.8
81.07066	1.1
85.02905	5.0
87.00862	0.6
95.05012	0.6
95.08582	1.2
97.02893	2.1
99.08106	0.7
103.05464	0.6
105.01883	0.6
107.04959	82.3
107.08596	0.7
109.02899	1.1
109.10173	0.8
121.10114	1.1
125.09677	0.6
127.03899	1.8
131.04956	2.1
145.04933	0.8
147.59351	0.5
177.16377	2.3
192.04202	1.3
193.04980	36.1
195.17421	1.2
213.18504	2.0
226.40157	0.5
283.04160	0.5
299.09149	100.0
300.09290	1.2
372.49902	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1443
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.80014	0.3
52.01816	0.3
55.01869	0.5
55.05500	1.0
57.03421	1.0
63.36016	0.2
66.74249	0.3
67.05502	1.9
69.03429	0.6
69.07065	0.8
71.53812	0.3
73.02905	0.8
75.06926	0.3
79.05508	2.1
81.03417	1.0
81.07065	3.8
83.04985	0.6
85.02908	2.2
91.05496	2.4
91.06044	0.4
93.07056	2.7
95.04946	0.6
95.08632	1.6
97.02868	0.8
97.06542	0.4
105.07032	2.5
107.04977	0.4
107.08570	1.1
109.06509	0.4
109.10194	0.4
111.08086	0.3
113.02389	0.7
117.07018	0.4
119.08585	1.7
121.10143	1.4
123.08070	0.5
123.11703	0.6
124.01609	0.7
127.03919	0.3
129.06995	0.5
132.05713	0.4
133.06444	0.8
133.10179	0.5
135.04442	0.8
141.01775	0.6
145.10068	0.4
147.11713	3.5
151.03917	0.5
152.01057	0.7
159.04346	0.4
165.12781	1.5
171.11732	0.8
184.08759	0.3
189.12718	0.3
199.07571	0.4
207.13899	0.5
211.07542	0.5
213.14587	0.3
227.06981	0.9
228.07765	0.4
229.14366	0.8
239.07027	0.9
241.05011	0.3
241.13957	0.4
243.10274	0.4
243.13695	0.3
255.06583	0.4
256.07324	6.3
267.06558	0.9
269.04428	0.5
273.58670	0.3
281.17517	7.5
284.06805	31.1
285.07336	0.6
285.17075	1.6
299.09152	100.0
300.09393	1.6
329.10333	0.4
341.09952	0.3
357.18472	0.3
375.19846	0.7
417.20993	2.4
461.14322	7.2
461.20087	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	461.1081
Annotation	Oroxylin A glucoronide
Peak:m/z	Relative Intensity
52.79664	0.1
55.05500	0.4
57.03432	0.1
57.24565	0.1
58.79354	0.1
61.02945	0.1
65.25291	0.1
67.05515	0.6
69.03440	0.2
69.07066	0.4
69.80364	0.6
72.08154	0.1
73.02917	0.1
79.05484	0.4
81.03420	0.2
81.07073	0.7
83.04980	0.2
83.08612	0.3
85.02900	0.3
91.05479	0.6
93.07043	0.6
95.04978	0.1
95.08608	0.4
97.02872	0.1
97.10181	0.2
100.11230	0.1
103.05466	0.1
105.07056	0.6
107.04971	0.1
107.08607	0.4
109.10162	0.2
117.07025	0.2
119.08564	0.3
121.10146	0.3
125.09662	0.2
127.03906	0.1
129.06956	0.2
131.08604	0.3
133.06497	1.1
133.10161	0.3
135.04422	0.2
135.08072	0.1
135.11670	0.2
142.72150	0.1
143.08517	0.1
145.06561	0.1
145.10103	0.2
147.08054	0.1
147.11708	0.2
149.13216	0.1
153.01845	0.9
157.10175	0.1
159.04370	0.2
165.12808	0.2
167.08540	0.1
177.05423	0.1
185.13287	0.1
199.11348	0.1
199.14801	0.1
210.22183	0.1
239.07195	0.1
239.72519	0.1
242.05751	11.7
243.06235	0.2
256.07361	0.3
270.05252	10.4
284.06802	1.0
285.07584	100.0
286.07980	1.2
299.09146	3.9
317.06549	0.1
351.23267	0.2
369.24252	0.3
387.24948	0.2
405.26376	0.1
405.53397	0.1
443.27942	0.5
461.10498	3.5
461.29047	1.8
483.23572	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	460.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.4
54.44599	0.8
55.01869	7.5
57.03439	5.6
60.04520	2.9
61.02935	5.3
68.99782	2.8
69.03431	28.0
70.06591	20.3
71.04985	3.6
71.53381	1.4
73.02920	6.1
79.05507	0.9
81.03422	25.7
81.07033	1.7
85.02907	75.9
86.09697	1.7
87.00308	1.5
87.00833	31.0
87.04455	1.0
89.70884	1.0
91.03951	2.6
91.05473	2.5
93.07020	1.3
94.04194	1.7
95.04989	1.3
95.08585	1.6
97.02293	1.7
97.02898	28.8
97.06512	1.3
98.06011	1.1
99.04461	12.6
105.01868	36.7
107.04973	1.1
108.04482	2.5
108.08054	0.8
109.02882	30.3
115.03919	2.2
117.01859	4.7
118.06517	2.8
119.04919	1.2
120.08130	1.2
122.03651	1.5
123.04446	2.3
126.05554	2.1
127.03920	56.4
129.01810	3.3
130.08615	1.1
131.04924	1.6
131.08510	1.1
133.10110	1.3
136.07558	3.9
137.05981	100.0
145.04961	25.7
146.06018	7.6
147.02856	1.6
151.07571	1.7
157.09715	3.2
159.02890	18.4
159.08110	2.0
161.05969	3.7
165.05351	1.1
167.32486	0.9
175.07486	1.2
175.14857	1.3
177.09091	1.2
177.16379	1.2
179.07036	9.1
182.08163	2.8
185.09306	1.7
189.03972	1.6
189.09100	2.7
191.07060	1.0
191.10677	5.3
195.10176	9.2
203.07040	4.8
205.08629	1.3
213.04021	2.4
219.10175	10.3
227.07060	1.7
231.05020	14.3
237.11238	6.1
240.10143	1.3
245.08066	3.1
248.07491	1.3
249.06050	4.2
261.08713	2.0
261.11200	3.9
266.08707	1.3
285.11163	4.2
286.10815	2.3
303.12128	5.2
375.08588	0.9
460.18869	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01883	4.6
55.05517	20.1
57.03436	5.0
57.07076	0.8
59.04997	1.0
60.19963	0.7
65.03954	1.1
67.05509	21.8
69.03440	4.2
69.07070	6.8
71.04988	2.5
71.53680	0.8
72.94347	0.7
79.05498	23.5
79.32919	0.6
81.03424	14.9
81.07062	18.2
82.26547	0.8
83.04976	2.8
83.08623	9.4
85.02899	2.7
85.06545	1.3
87.00807	1.5
91.05481	17.5
93.07048	13.3
95.04973	9.3
95.08616	8.8
97.02870	1.3
97.06544	4.0
97.10176	13.9
99.04464	0.7
99.08104	0.9
103.05478	0.9
105.07040	13.9
107.04967	12.9
107.08598	13.2
109.06542	4.7
109.10172	7.8
111.04529	0.9
111.08082	2.9
112.68351	0.7
113.06021	0.7
115.05441	1.5
117.07011	7.8
119.04955	1.1
119.08588	9.7
119.09370	0.9
120.56972	0.7
121.06512	9.5
121.10153	3.7
122.67662	0.6
123.04475	1.4
123.08083	5.2
123.11699	1.1
125.06002	1.0
125.09639	10.6
127.03894	0.9
128.06265	1.6
129.07011	9.6
131.04956	4.5
131.08575	9.4
133.06487	5.2
133.10143	9.1
135.08081	4.8
135.11714	3.2
137.05986	1.1
137.09607	2.6
141.07008	3.8
143.08568	6.1
143.28801	0.7
144.05713	1.6
145.06490	22.3
145.10112	5.2
147.04405	1.9
147.08023	4.4
147.11728	4.4
149.06007	1.2
149.09631	2.2
149.13277	2.3
151.07495	1.3
151.11203	1.0
153.09091	3.4
153.12701	1.0
155.08543	4.6
156.09381	0.8
157.06525	4.3
157.10129	4.2
159.08072	5.1
159.11746	2.1
161.06006	3.6
161.09605	2.5
163.11206	2.4
165.07002	0.8
165.09183	1.7
165.12724	1.0
167.08597	1.8
169.06494	2.0
169.10141	2.7
171.08043	5.8
171.10454	0.7
171.11676	3.1
173.09633	2.5
173.13202	0.8
175.11226	2.5
175.14830	4.7
177.09068	0.7
177.12796	0.8
179.08572	0.8
181.06497	0.7
181.10150	2.3
183.08089	2.4
183.11661	1.6
185.09669	2.6
185.13295	1.9
187.11143	1.4
187.14838	1.1
189.09464	1.0
189.11241	5.6
189.12802	1.9
191.10698	1.2
193.10542	1.3
193.12265	8.7
193.15918	4.7
195.08078	1.8
195.11728	3.1
197.09660	1.5
197.13298	2.1
199.11249	3.0
201.12723	1.6
205.12280	1.8
205.15759	1.5
207.11748	1.0
209.09648	1.0
209.13274	0.9
211.11264	1.6
211.13165	0.9
211.16925	5.4
213.12805	1.9
215.14403	3.3
217.12161	1.4
217.15636	0.8
223.11334	1.4
225.12817	1.7
227.14351	2.9
231.13809	1.6
233.15323	3.1
237.12738	3.4
239.14301	1.3
243.13914	1.8
245.15297	1.0
249.14862	0.9
255.13780	4.1
257.15363	0.9
259.13388	1.4
269.15475	1.0
271.16977	1.9
273.14856	14.7
281.15411	1.0
283.17056	1.8
287.16391	2.3
289.18069	1.6
299.16519	1.5
311.16354	0.9
321.22198	0.8
331.20599	1.2
339.23242	5.6
349.21631	14.6
357.24380	4.3
367.22705	36.5
385.23755	33.4
403.24814	7.1
405.24066	3.5
423.25552	1.6
438.75601	0.8
441.26276	8.5
459.27448	100.0
460.27972	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	459.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.4
55.01878	7.9
55.05516	47.5
57.03420	4.1
57.07073	1.2
62.69588	0.9
65.03937	1.9
67.05509	42.3
69.03422	4.6
69.07073	12.9
75.12673	0.9
77.03899	1.0
79.05499	41.1
80.09567	1.0
81.03429	7.0
81.07067	33.2
83.04993	6.0
83.08628	25.6
85.06533	2.7
87.40422	1.0
91.05487	38.8
93.07057	18.3
95.04954	7.1
95.08610	12.9
97.06522	3.4
97.10177	40.7
99.08083	2.0
103.05476	19.1
105.03389	2.9
105.07041	28.7
107.04949	7.8
107.08595	19.7
109.06503	3.7
109.10155	9.8
111.08077	3.2
115.05447	10.3
117.07024	51.0
119.04919	1.8
119.08587	15.9
121.06501	3.1
121.10140	4.8
123.08092	3.1
123.11700	1.2
125.09641	35.1
128.06219	5.2
129.07014	22.7
131.04921	3.9
131.08580	34.6
133.06500	10.4
133.10107	7.1
135.08054	9.3
137.09613	1.3
141.07024	11.3
141.30255	1.1
142.07813	2.4
143.04936	2.1
143.08571	15.1
143.10678	1.7
145.06491	14.7
145.10127	14.2
146.32153	1.3
147.08044	4.0
149.09642	6.0
153.06992	3.2
153.09053	5.3
154.07745	2.0
155.08568	15.0
157.06529	6.1
157.10173	6.5
159.08058	6.3
159.11723	5.5
161.09689	1.3
161.13240	1.2
163.11224	1.3
165.06976	1.9
165.09175	1.2
167.08524	4.7
168.09354	2.2
169.10129	10.6
171.08054	4.7
171.10172	3.9
171.11713	7.4
173.09637	3.6
173.13243	3.3
175.11110	1.3
179.08607	2.2
181.10144	5.0
183.08043	2.1
183.11763	3.6
184.90305	1.0
185.09605	2.0
185.13306	4.3
187.11130	1.2
187.14841	14.1
189.11256	23.8
193.12254	1.8
195.08325	1.0
195.11671	5.8
197.09647	2.4
197.13283	14.9
199.11322	2.2
207.11629	1.7
209.13286	3.0
211.11169	2.0
213.12791	5.5
215.14328	78.1
219.11835	1.2
221.13263	1.8
223.11264	2.2
223.14804	2.2
225.12703	1.7
227.12758	30.9
233.15396	3.2
235.14987	1.1
237.12845	2.9
239.14426	1.6
241.12267	4.2
245.13799	2.4
251.14442	1.2
253.21823	1.4
255.13837	2.0
259.13309	2.2
269.15430	2.6
271.17001	5.9
273.14944	2.7
285.14536	1.0
287.16074	1.1
289.17953	2.6
301.17828	1.1
321.22015	2.6
331.20410	1.2
339.23022	6.2
349.21674	13.2
357.24164	2.5
367.22687	33.3
385.23743	23.9
391.06363	1.1
403.24887	6.3
423.25287	2.2
435.27521	1.1
441.26385	67.3
442.26657	1.8
459.27417	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79187	0.7
53.03946	3.1
55.01876	5.5
55.05513	20.5
57.03437	4.1
57.07084	0.6
65.03950	1.0
67.05509	22.2
67.80141	0.6
69.03436	3.7
69.07071	6.7
69.26085	2.6
69.26511	2.5
71.04984	1.6
79.05499	25.0
81.03425	17.8
81.07061	18.9
83.04974	3.4
83.08628	12.0
85.02905	1.6
85.06574	1.4
87.00851	0.7
91.05486	17.5
93.06480	0.9
93.07047	14.6
95.04971	9.8
95.08614	10.6
97.02923	0.9
97.06543	3.3
97.10170	14.8
99.04459	0.6
103.05478	1.4
105.07038	14.8
107.04966	11.2
107.08593	12.4
107.57018	0.6
109.06503	3.7
109.10159	7.2
111.04459	0.7
111.08084	3.4
113.06024	0.7
115.05473	2.6
117.07018	6.7
119.04962	1.1
119.08591	9.6
121.06519	9.7
121.10154	3.4
123.04430	1.7
123.08089	3.7
123.11719	1.2
125.06036	0.7
125.09635	11.6
128.06245	1.8
129.07013	9.0
131.04926	4.2
131.08565	9.5
133.06509	6.0
133.10130	7.2
135.08047	4.5
135.11676	3.0
137.05988	1.8
137.09644	1.7
141.06981	3.4
142.07776	1.2
143.08556	6.2
143.10614	0.7
144.05717	1.8
145.06496	23.1
145.07658	1.1
145.10120	4.9
147.04460	1.4
147.08038	5.8
147.11705	5.6
149.06024	0.7
149.09619	2.5
149.13297	2.4
151.07593	0.7
151.11188	1.2
153.06970	0.7
153.09149	2.9
153.12743	1.7
155.08559	3.9
157.06509	4.8
157.10120	5.0
159.08067	5.4
159.11722	1.9
161.05974	2.7
161.09654	2.8
163.07468	0.8
163.11188	1.7
165.07007	1.0
165.09132	1.6
165.12791	1.8
167.08594	2.3
169.06474	2.4
169.10153	2.6
171.08043	5.8
171.10271	1.2
171.11699	2.7
173.09625	1.9
173.13274	1.3
175.07530	1.3
175.11237	3.9
175.14845	3.5
177.12590	0.7
179.08595	0.9
181.06506	1.0
181.10110	1.9
183.08150	1.2
183.11736	1.8
185.09648	3.2
185.13310	2.3
187.11209	1.9
187.14868	1.6
189.09239	1.1
189.11237	6.1
189.12791	2.1
191.08643	0.8
193.12242	12.3
193.13971	1.0
193.14317	0.8
193.15884	7.1
195.08043	2.2
195.11743	3.2
196.08896	0.8
197.09659	1.4
197.13274	2.3
199.11147	3.0
202.37332	0.6
202.55446	0.6
205.10199	1.1
205.12244	1.1
209.09616	1.4
209.13354	1.2
211.11172	1.3
211.16866	0.9
211.32262	0.6
213.12726	2.9
215.10779	0.9
215.14326	2.7
217.12152	0.7
219.11748	1.2
219.13762	0.8
221.13269	0.7
223.11160	2.1
225.12744	2.5
227.14363	2.1
231.13873	1.3
233.15312	4.3
235.11200	0.9
237.12787	2.6
239.14455	1.2
241.14227	0.8
243.13799	1.6
245.15343	1.1
249.14929	1.2
253.15735	0.8
255.13866	4.7
257.15442	0.9
259.13242	1.2
265.15878	0.8
271.16989	1.5
273.14859	14.7
275.16531	1.0
281.15640	1.1
283.17075	1.0
287.16315	1.6
289.18069	1.5
299.16495	0.9
307.16867	0.8
311.16428	1.2
321.22195	1.6
331.20615	1.6
339.23105	4.5
349.21649	12.7
357.24222	3.6
367.22693	38.4
379.22711	0.9
385.23749	31.9
403.24756	7.0
405.24319	2.2
423.25323	2.6
441.26462	8.2
459.27426	100.0
460.27936	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01884	7.1
55.05516	42.8
57.03430	4.3
59.04992	2.1
65.03958	2.2
67.05508	37.1
69.03420	3.6
69.07072	9.8
70.92427	2.2
70.92740	1.2
72.23318	1.0
79.05070	2.3
79.05499	33.2
81.03415	5.3
81.07059	24.4
81.48218	1.3
83.04987	4.5
83.08624	20.1
85.06532	1.9
88.29125	1.3
91.05486	30.5
93.07050	15.5
95.04980	5.2
95.08627	11.1
97.06538	3.2
97.10178	33.0
97.65276	1.3
103.05472	14.4
105.03383	2.2
105.07041	21.9
107.04961	5.7
107.08604	19.3
109.06529	2.8
109.10178	11.9
111.08084	1.5
111.46526	1.3
115.05450	5.5
116.06270	1.7
117.07029	42.6
119.04969	2.8
119.08586	15.7
121.06501	3.4
121.10135	5.1
123.08045	3.0
125.09637	26.7
128.06236	6.1
129.07007	20.9
131.04951	4.7
131.08585	30.0
133.06485	6.6
133.10143	3.2
135.08084	9.2
135.11674	1.7
137.09596	2.0
141.07018	7.9
142.07796	1.8
143.04936	1.6
143.08594	10.6
145.06474	11.4
145.10124	10.7
147.08076	3.6
147.11674	2.1
149.05986	1.6
149.09637	3.9
153.07022	2.1
153.09137	2.6
154.07727	1.6
155.08566	9.9
156.09415	2.0
157.06531	4.0
157.10164	4.5
159.08109	4.9
159.11668	4.5
161.05949	2.9
167.08565	4.1
169.10143	9.3
171.08084	4.0
171.10333	3.0
171.11737	5.7
173.09677	1.8
173.13286	2.5
175.11198	2.2
179.08534	1.7
181.10103	2.1
183.11714	3.0
185.09636	1.6
185.13284	5.4
187.11166	1.9
187.14828	13.3
189.11246	19.7
189.12851	1.0
193.10233	1.5
193.12207	2.7
195.11720	5.3
197.09612	1.5
197.13292	14.3
199.11162	2.3
206.25914	1.2
209.13326	2.4
213.12769	6.1
215.14334	67.9
223.11342	2.5
223.14967	1.9
225.12732	1.8
227.12764	25.3
231.13867	2.6
233.15404	2.5
237.12805	1.7
241.12247	3.6
243.13853	1.7
245.13896	2.3
251.14452	2.1
253.16141	1.8
253.43245	1.2
255.13826	1.6
259.13300	1.4
263.14182	1.2
269.15405	2.4
271.16956	4.1
273.14963	2.5
287.16547	1.8
289.18100	1.4
339.23224	3.9
349.21616	12.8
354.04739	1.4
367.22729	29.2
385.23770	19.7
403.24765	5.1
423.25467	2.6
441.26404	57.3
448.42142	1.7
459.27441	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94760	1.1
53.03940	4.1
55.01877	6.0
55.05314	1.0
55.05520	11.5
55.12609	1.0
57.03452	4.6
57.07069	1.6
59.05008	2.0
59.15040	0.9
61.02915	1.5
65.03933	1.3
67.05511	15.9
68.99799	1.6
69.03433	15.7
69.07070	12.3
70.42113	1.0
70.42468	3.0
71.04992	10.4
71.17727	0.9
73.02931	1.5
75.68039	0.9
77.03910	1.0
79.05499	16.4
81.03426	20.2
81.07067	28.2
83.04989	4.9
83.08617	8.4
85.02913	32.9
85.06572	2.2
87.00838	13.7
87.04465	1.1
87.90153	0.9
91.05488	21.0
93.07062	21.2
95.04984	12.1
95.08613	21.9
97.02909	11.3
97.06543	14.1
97.10186	5.3
97.95742	0.9
99.04462	5.4
99.08086	3.7
103.05453	1.6
105.01875	15.5
105.07040	16.5
107.04983	5.7
107.08612	18.8
109.02888	11.4
109.06528	10.8
109.10175	14.8
111.04433	2.4
111.08080	3.3
111.11719	3.7
112.62168	1.0
115.03925	1.1
115.05467	1.4
115.07565	2.4
117.01891	1.2
117.07051	5.4
119.04956	1.0
119.08598	19.8
121.06518	4.0
121.10157	12.3
123.04433	1.6
123.08092	8.3
123.10841	1.4
123.11727	26.9
125.06050	1.2
125.09638	5.4
127.03928	16.6
129.01828	1.6
129.07050	5.3
131.08577	7.4
133.06479	3.3
133.10149	31.8
135.08063	4.2
135.11703	26.4
137.06029	3.6
137.09630	5.6
137.13242	2.2
139.07631	1.3
139.37498	0.8
141.06981	1.9
141.12730	2.3
142.07751	1.0
143.08578	3.6
145.04961	5.4
145.06503	5.6
145.10127	4.7
147.04416	1.1
147.08105	2.5
147.11690	5.9
149.09627	3.2
149.12173	1.8
149.13275	18.3
151.07608	1.9
151.11198	8.6
153.09093	1.6
153.12810	2.5
155.08554	2.1
155.10706	1.5
157.06485	1.6
157.10086	2.2
159.02919	5.0
159.08084	2.5
159.11705	3.0
161.06000	2.6
161.09657	2.7
161.13240	1.6
163.11229	1.6
165.09167	4.2
165.12788	2.7
169.10112	1.3
171.08087	1.2
171.11743	1.9
173.09631	2.4
173.13295	2.2
175.11215	3.2
175.14848	30.5
177.05542	1.0
177.12654	1.1
179.07120	1.4
181.10161	1.8
183.11600	1.0
185.09601	1.0
185.13268	1.7
187.11203	1.1
189.03899	1.2
189.11201	2.3
191.14273	1.7
193.10619	1.1
193.12231	4.9
193.15897	35.4
195.11758	1.2
197.13332	2.0
199.11110	1.7
207.13762	2.0
209.15424	2.4
211.16956	100.0
212.17313	1.1
213.03860	1.5
213.12825	1.4
215.14441	1.7
219.13734	1.4
221.15489	1.3
231.04959	2.6
233.15408	4.1
243.13820	1.1
245.15285	1.8
249.14838	1.2
257.15509	1.5
269.15179	1.0
271.05804	1.0
273.14893	2.9
279.23254	1.2
287.16513	2.3
294.11511	1.1
301.18121	1.2
319.19360	1.5
321.22296	1.3
339.23312	2.1
349.21588	3.1
356.61877	1.0
357.24277	2.2
367.22717	11.0
385.23798	16.4
403.24915	1.8
405.19104	2.4
423.20212	2.0
441.26572	2.7
459.22156	2.4
459.27487	48.5
460.28104	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	459.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04215	0.8
51.48881	1.0
51.51081	1.0
53.03947	3.6
55.01873	7.7
55.05518	15.9
57.03441	6.2
57.07070	2.7
59.04990	3.1
61.02923	3.5
65.03954	1.9
65.08228	0.9
67.05509	19.3
69.03081	1.3
69.03433	17.6
69.06724	1.3
69.07072	14.6
69.87527	1.0
70.68851	3.0
70.86949	0.9
71.04996	8.5
73.02919	1.6
77.08897	1.0
79.05076	1.5
79.05504	20.4
81.03427	19.6
81.06584	1.6
81.07064	29.3
83.04980	6.7
83.06693	1.0
83.08627	12.7
85.02911	29.7
85.06543	3.9
87.00845	13.2
87.04490	1.1
91.05492	23.9
93.07051	21.9
95.04981	17.3
95.08604	23.7
95.09164	1.7
97.02892	11.5
97.06543	14.0
97.10178	10.5
99.04457	7.0
99.08092	2.6
103.05502	1.4
105.01868	13.8
105.07047	20.7
107.04975	8.6
107.08606	22.2
109.02901	9.4
109.06527	12.9
109.10160	14.9
111.04435	2.7
111.08094	3.0
111.11719	2.0
113.09711	1.3
115.03913	1.5
115.05491	2.1
115.07545	1.6
117.01836	1.0
117.06993	6.6
119.04945	2.0
119.08588	22.5
121.06501	7.1
121.10156	12.6
123.04439	2.9
123.08086	11.1
123.11715	25.5
125.06010	2.2
125.09628	7.0
127.03928	15.0
127.07510	1.2
128.06212	2.3
129.01859	1.9
129.06993	6.0
131.04912	2.0
131.08577	8.0
133.06549	5.3
133.10136	31.1
135.04469	1.4
135.08083	3.7
135.11699	25.9
137.05980	3.7
137.09627	7.8
137.13277	2.1
139.11139	1.3
141.07013	2.8
142.07755	1.3
143.08563	4.2
145.05008	6.0
145.06516	8.3
145.10121	5.0
147.08078	3.2
147.11681	7.1
149.06015	1.7
149.09621	4.2
149.13260	14.3
151.07635	2.4
151.11203	8.6
151.78804	1.0
153.09129	3.5
153.12784	3.5
155.08594	3.0
155.10689	1.6
157.06500	2.8
157.10147	4.7
159.02904	3.4
159.08063	4.4
159.11720	4.7
161.05943	2.0
161.09648	2.2
161.13329	1.5
163.11224	3.1
165.09157	4.8
165.12744	2.4
167.08527	1.6
167.14293	1.5
169.10172	2.5
171.08098	2.5
171.11678	2.7
173.09662	2.5
173.13297	2.7
175.11224	4.1
175.14838	33.2
177.12753	1.9
177.16374	1.5
179.07089	1.5
181.10144	1.6
183.11719	1.8
185.09625	1.6
185.13280	2.2
189.03975	1.5
189.11258	2.5
191.14325	2.5
193.12279	5.2
193.15900	39.3
195.08057	3.0
195.11714	2.4
199.11249	2.2
203.14381	1.6
205.12199	1.6
207.13736	1.5
209.15359	1.7
211.16946	100.0
212.17308	1.6
213.12700	1.7
215.14343	2.7
219.13835	1.8
227.14520	1.7
231.05054	3.0
231.13725	1.3
233.15320	6.3
245.15445	2.2
249.14861	2.0
251.16508	1.6
255.13847	1.4
257.15356	1.0
259.13599	1.0
273.14987	2.7
275.16467	1.2
287.16696	1.2
301.18076	1.5
339.23151	2.7
349.21515	5.5
357.24313	3.6
362.23563	1.0
367.22702	17.1
385.23755	18.5
403.24927	3.5
405.19113	2.5
405.24011	1.2
423.20151	2.3
423.25562	1.7
441.26462	2.9
459.27457	70.4
460.27698	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.3
55.01857	4.7
55.05523	8.8
57.03428	3.4
60.04524	2.1
61.02923	2.6
67.05509	18.4
69.03443	12.1
69.07046	5.9
70.06599	10.8
70.81744	3.4
71.04982	4.8
72.08157	8.8
73.02905	3.4
73.54956	1.2
79.05476	5.3
81.03419	12.5
81.07058	13.0
83.04991	17.0
83.08601	2.0
84.08156	1.7
85.02427	2.1
85.02908	27.7
85.06529	5.6
86.03226	1.3
86.09717	9.9
86.75690	1.4
87.00843	9.8
87.04477	3.2
89.06035	18.7
91.03931	1.6
91.05475	6.5
93.07057	13.0
95.04971	23.6
95.08607	14.5
97.02899	11.9
97.06509	4.0
99.04453	8.1
99.07508	2.4
99.08102	35.2
105.01877	7.4
105.07045	7.8
107.04954	2.6
107.08602	10.2
109.02890	10.9
109.06492	6.0
109.10162	56.7
111.08070	2.7
112.80776	1.4
113.02339	1.5
117.07015	1.4
119.08586	9.9
120.08083	2.6
121.06484	1.8
121.10125	8.0
123.04422	1.9
123.08025	3.4
123.11707	8.4
127.03918	20.5
129.06979	1.3
131.08551	2.4
133.08630	11.1
133.10135	13.9
135.08037	4.2
135.11714	13.0
136.07594	2.2
137.06007	7.7
137.09622	50.4
141.01752	1.7
145.04993	10.0
145.05952	1.7
145.10120	2.7
146.06018	2.2
147.04359	1.6
147.11653	2.8
149.09627	2.5
149.13187	2.0
151.03755	1.4
151.07510	2.1
155.10698	7.9
157.09904	2.2
158.29485	1.4
159.02930	7.1
161.05983	1.5
161.09598	1.4
163.07495	2.2
165.16418	3.5
167.07077	2.0
173.13141	2.5
175.14856	11.0
177.05431	4.6
177.11183	1.9
177.16353	2.0
179.10683	2.2
193.15892	100.0
197.11700	5.1
211.13062	5.2
211.16943	22.0
217.15936	2.6
221.11810	1.6
231.04977	2.3
231.17003	1.4
233.14966	1.6
235.16873	2.6
298.41354	1.7
373.18234	11.3
405.18704	1.6
415.19434	20.9
459.18152	54.6
459.31876	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	459.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05346	0.5
53.03947	0.9
55.01871	1.4
55.05511	1.5
57.03424	0.7
61.02931	0.7
67.05497	1.0
68.99774	0.6
69.03448	2.8
69.07060	2.5
69.44845	3.2
69.45252	1.2
71.05007	1.2
72.08139	0.8
73.02914	0.8
79.05487	1.8
81.03413	2.3
81.07071	9.5
83.08626	0.7
85.02916	9.1
87.00838	3.4
91.05482	3.9
93.07052	5.7
95.08624	11.5
97.02917	2.9
99.04457	0.8
99.08100	2.4
105.01898	3.7
105.06392	1.0
105.07040	11.1
107.08599	8.1
109.02885	2.5
109.10154	1.7
113.09631	1.2
119.08594	40.3
121.10146	1.3
123.11711	2.0
127.03934	4.7
131.08591	0.8
133.10147	53.1
134.10513	0.8
135.11714	11.0
137.06009	0.7
137.09616	0.6
137.76646	0.5
145.04977	2.7
147.11696	3.0
149.72795	0.6
159.02879	2.0
160.12494	0.7
175.14844	100.0
176.15143	1.1
193.15903	10.9
195.64485	0.5
211.16924	4.9
289.14398	0.6
374.13174	0.5
424.95575	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.2
55.01874	4.6
55.05510	5.5
57.03433	2.3
57.07088	0.9
59.05011	1.1
61.02924	1.7
67.05516	8.4
68.99786	1.8
69.03436	15.8
69.07087	3.3
69.98406	2.9
70.06587	2.0
71.05013	4.6
73.02933	4.1
79.05495	4.6
81.02982	1.3
81.03431	15.7
81.03902	0.4
81.07063	9.1
83.04997	3.2
83.08633	2.3
84.08176	0.7
85.02912	31.3
85.06557	6.4
86.09713	1.0
87.00844	13.4
89.86654	0.7
91.03929	1.6
91.05492	3.9
93.07053	16.8
95.04979	5.9
95.08612	15.2
95.39643	0.8
97.02902	13.3
97.06552	1.4
99.04462	10.5
99.08103	100.0
101.06000	0.9
105.01883	10.6
105.07048	5.4
107.08600	12.8
109.02891	17.1
109.06517	2.2
109.09458	1.5
109.10165	20.7
111.08098	2.9
113.09681	0.9
117.01884	2.2
119.08591	9.4
119.09370	1.0
121.10163	4.0
121.85268	0.7
123.08084	2.4
123.11710	3.9
125.09652	4.6
127.03930	29.5
129.01849	1.7
132.95850	1.5
133.10135	9.4
135.11705	22.5
137.06009	5.7
137.09633	8.2
145.04962	11.6
147.02887	1.6
147.11723	1.2
149.13272	1.0
151.11212	2.4
155.10704	16.1
159.02902	10.0
163.14915	0.8
165.09193	0.7
165.16342	1.3
166.55359	0.7
174.96896	1.1
175.14827	9.0
177.16367	1.6
193.15897	33.8
195.17487	1.3
211.16954	36.0
213.03960	2.0
231.05026	8.7
249.05983	1.7
259.86450	0.7
297.07828	1.7
328.42172	0.6
337.00070	0.7
339.08951	5.2
357.10187	1.4
403.16214	0.9
459.12924	3.1
459.17084	0.8
459.23172	4.1
459.31430	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	0.4
55.00836	0.4
56.96564	0.4
58.68122	0.3
61.02901	0.3
69.03452	0.6
69.07070	0.7
70.06588	0.7
71.53444	0.7
72.08100	0.5
76.02216	0.4
79.05476	0.9
84.08166	0.4
85.02902	1.7
85.06566	0.4
88.03944	0.3
91.05491	1.0
93.07053	1.3
95.04937	0.5
96.04501	0.8
98.97589	1.5
103.05468	6.3
107.04966	1.4
110.06060	0.9
112.07607	0.7
113.06033	0.7
113.07928	0.4
115.01272	0.3
120.08112	100.0
121.08438	0.8
122.06049	2.7
124.07559	0.5
127.03918	0.8
128.98593	0.5
130.08640	1.9
131.04973	2.4
131.07065	1.7
132.01233	0.6
136.06142	0.5
136.06575	0.5
136.07603	4.2
137.06015	0.4
137.07109	0.9
138.05533	1.5
140.01662	1.5
140.07109	0.8
140.12645	0.4
142.03215	0.7
145.04887	0.6
146.02719	0.7
147.04451	1.3
149.06036	1.9
158.99701	0.5
164.07082	3.8
166.08649	57.2
174.29526	0.3
177.00761	0.5
177.15016	0.4
182.08165	1.9
184.00616	0.6
195.05870	1.2
210.30316	0.3
219.01796	1.3
222.04341	0.3
228.75056	0.4
229.06459	0.8
237.02914	0.6
241.06435	3.0
255.11433	0.6
256.09641	0.8
259.07532	5.1
273.08966	0.7
301.11813	1.4
302.10312	1.7
319.12958	1.8
320.11224	0.5
404.37506	0.4
422.13971	0.4
440.14932	1.8
458.16028	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3677
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
55.02353	1.8
55.05510	5.5
67.05493	7.7
69.07072	9.5
79.05493	8.1
81.07059	23.3
83.08609	5.6
91.05483	6.4
93.07047	19.0
95.08613	48.8
97.01286	1.8
97.10206	2.9
105.07038	12.0
107.08599	35.3
109.10175	27.2
113.03603	2.1
119.08580	18.7
121.10151	29.2
123.11692	8.6
131.08566	3.0
133.10159	16.1
135.11705	16.8
137.09631	2.9
137.13248	3.6
145.10127	3.7
147.11717	12.0
149.13254	10.7
159.11661	4.5
161.13254	9.0
163.14821	27.2
164.89438	2.1
165.12840	2.9
173.13188	2.4
175.14827	8.7
177.16321	11.7
179.14270	3.6
187.14851	7.0
189.16360	16.6
191.18024	14.0
201.16345	3.1
203.17976	24.6
205.19550	7.0
207.17435	5.0
215.17931	3.7
217.19568	6.7
229.19403	3.8
231.21068	7.6
235.16910	3.0
247.17113	3.2
286.89285	2.1
297.25778	5.3
298.03793	2.2
315.26736	3.3
386.79712	2.0
390.36105	2.1
393.35193	5.9
411.36258	100.0
412.36530	3.0
439.36072	9.7
457.36038	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	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.4
55.01860	4.0
55.05494	5.4
57.03436	2.8
57.07078	1.9
59.04996	1.4
61.02914	2.3
65.03922	1.7
67.05489	5.0
69.03439	13.4
69.07063	6.2
71.04973	4.2
71.26313	2.9
73.02906	3.4
79.05499	23.4
80.92280	1.5
81.03421	13.1
81.07062	60.5
83.04967	6.8
83.08636	7.2
85.02908	22.0
85.06516	2.6
87.00837	8.9
91.05473	6.7
93.07064	10.8
95.04993	7.6
95.08599	8.0
97.02904	8.4
97.06519	6.6
99.04454	3.9
105.01874	7.4
105.07064	11.5
107.04987	1.6
107.08601	13.4
109.02872	10.4
109.06522	100.0
109.10173	9.2
109.19408	1.5
111.08073	5.2
117.06985	2.3
119.06088	1.6
119.08570	6.4
121.06522	1.9
121.10157	11.8
123.08082	6.0
123.11696	4.5
125.05959	1.4
125.09637	2.5
127.03088	2.2
127.03941	20.5
129.01817	1.8
131.08582	13.1
133.10141	46.9
135.08078	13.5
135.11687	2.9
137.05998	2.0
137.09662	1.8
139.07507	1.8
139.11180	3.0
143.08592	2.2
145.04955	4.1
145.10139	5.0
147.08043	1.9
147.11691	3.9
149.09622	8.7
149.13251	5.6
151.11209	2.1
153.09067	6.9
153.44397	1.5
158.10857	3.0
159.02885	3.9
163.14803	2.3
165.09087	1.9
167.14346	5.8
173.13281	25.7
179.19724	1.2
191.14317	62.5
209.11497	1.7
209.15378	38.0
231.04918	2.4
296.62009	1.4
337.06863	2.1
371.16629	2.7
377.62268	1.9
413.17816	6.4
457.10794	6.9
457.16733	25.8
457.24908	1.7
473.77722	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01871	1.8
55.05514	1.9
57.03434	0.9
57.07098	0.7
61.02928	1.6
62.19857	0.7
62.40657	0.7
67.05514	3.9
69.03432	8.6
69.07069	2.2
70.65040	2.1
71.04991	1.4
73.02914	1.5
77.03978	0.8
79.05503	5.0
81.03427	6.7
81.07061	6.6
83.04976	1.9
83.08646	1.0
85.02909	13.8
85.53870	0.7
86.09726	1.4
87.00844	4.7
91.05489	6.6
93.07066	4.8
95.04986	1.4
95.08603	9.2
97.02895	5.7
97.06524	1.0
99.04455	2.1
103.05492	0.8
105.01863	4.2
105.07021	9.9
107.04950	2.6
107.07879	1.4
107.08603	17.3
109.02882	5.0
109.06518	2.5
109.10186	5.9
115.05466	1.2
117.07010	1.5
119.08564	5.3
121.06499	1.6
121.10155	10.2
122.07285	3.1
123.08044	1.6
123.11732	1.2
127.03932	9.7
131.08585	5.1
133.10143	100.0
134.10521	0.7
135.08066	8.2
135.11714	1.4
137.09630	46.3
143.08563	0.9
145.04962	3.7
145.10126	2.2
147.11638	3.7
148.69943	0.7
149.09616	3.5
149.13251	10.0
151.11205	2.1
154.53284	0.7
158.10921	2.4
159.02899	2.7
161.13350	0.9
163.14861	3.4
165.12784	0.9
173.13272	15.6
175.14853	0.9
181.79619	0.7
189.12706	0.9
191.14325	55.9
196.71295	0.8
209.15379	9.5
231.05077	1.9
457.15146	2.7
457.24390	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.7
57.07078	14.3
58.06585	1.2
67.05511	2.4
69.07076	2.4
70.06597	13.2
71.08639	8.0
71.09019	0.2
72.08176	0.4
73.02915	1.2
79.05472	0.3
81.07056	2.2
83.08618	2.2
85.10187	3.4
87.04468	0.7
88.07638	17.7
93.07040	0.5
95.08616	3.1
97.10157	1.0
102.09189	12.4
106.08648	0.5
109.10143	1.1
123.11725	0.4
144.73833	0.3
149.09708	0.3
156.17470	0.6
174.18466	0.3
188.03520	0.2
200.20102	46.0
201.20367	0.6
218.21165	4.2
227.20088	1.3
228.23219	0.7
229.16367	0.3
255.23174	0.9
256.26337	1.1
271.28357	0.3
278.90063	0.3
283.26331	48.8
287.89420	0.3
456.44135	100.0
457.44305	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
56.05033	0.8
57.03423	0.9
61.02903	0.7
67.05499	2.0
69.03410	2.7
69.07064	3.4
70.06582	1.0
70.49060	2.3
73.02931	1.1
79.05466	1.0
81.03427	1.2
84.08138	0.9
85.02905	14.0
86.09226	1.0
86.09709	14.2
91.03962	1.2
91.05487	2.3
95.01331	2.7
97.02890	3.7
102.45114	0.6
103.03957	1.0
106.06544	1.0
107.79185	0.7
109.10152	3.1
118.06548	5.9
119.04949	2.9
119.07332	68.2
120.05699	0.9
120.08107	3.1
122.06013	1.8
123.04410	0.7
127.03924	4.5
127.11189	2.3
130.06525	3.6
131.07288	0.8
132.08051	0.8
134.06032	14.8
135.04472	1.3
135.06804	9.8
141.01819	8.7
144.08150	0.7
145.04977	7.7
146.26109	0.7
150.05516	4.7
159.02919	1.6
163.06050	4.5
176.07100	3.9
178.31837	0.7
179.50194	0.7
207.08022	1.0
208.04407	0.8
209.09698	0.9
210.06783	1.4
211.07541	0.7
217.06499	0.9
219.08148	0.8
223.07603	0.9
225.09145	1.9
235.07593	2.0
237.09196	2.2
240.10127	1.4
241.08624	1.3
252.10208	12.5
254.09279	1.3
254.11794	18.1
256.09677	5.9
265.08392	0.7
269.12863	36.1
270.11218	2.9
280.09714	2.5
298.10730	9.1
315.13388	100.0
316.13718	1.0
321.08182	0.9
322.18161	2.2
337.19028	2.0
338.17648	1.9
382.21246	2.6
383.19489	4.8
393.18118	2.5
411.18988	3.7
428.21844	26.2
439.18723	9.6
456.15897	0.9
456.21381	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	454.293
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
52.67516	0.6
55.05513	1.8
57.03436	3.4
57.07077	18.8
62.06093	23.0
67.05506	4.2
69.07059	3.3
71.08630	13.4
81.07056	7.1
81.31606	0.7
83.08614	4.3
85.10195	6.7
89.06039	0.7
95.08604	7.8
97.10178	1.6
98.20621	1.4
98.98481	3.3
109.10169	3.2
123.11777	1.3
124.01572	1.2
142.02649	0.9
155.01079	5.0
155.83685	0.7
159.45027	0.7
174.96109	0.6
198.05252	1.4
216.06367	2.9
229.41203	1.0
239.23727	1.2
282.27936	12.4
313.27371	100.0
314.27707	0.8
393.24030	8.3
393.83835	0.7
428.39877	0.7
436.28192	4.0
454.29297	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	455.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.87025	0.4
63.11878	0.4
67.34945	0.4
71.05547	0.9
79.73445	0.5
98.97548	0.6
101.30629	0.6
101.92727	0.5
102.58006	0.4
106.38628	0.5
112.89630	3.9
122.01326	0.5
158.99599	0.5
245.05095	0.6
269.05304	0.7
311.06949	0.5
395.08829	0.7
400.61691	0.5
413.09854	1.1
454.67990	0.6
455.11646	100.0
456.11923	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	Krukovine A
Peak:m/z	Relative Intensity
51.12628	0.9
55.05499	3.8
57.07070	1.9
67.05495	2.7
69.03444	0.8
69.07064	4.0
71.08627	0.9
71.53766	1.5
79.05489	3.6
81.07047	9.8
83.08614	2.7
85.06551	1.4
89.99069	0.9
91.05492	2.9
93.07056	9.5
95.08617	13.0
97.06550	1.9
97.10158	2.2
99.08089	1.4
102.14520	0.9
105.07027	7.2
107.08600	13.8
109.06508	1.9
109.10156	10.4
111.08111	1.5
117.07003	1.1
119.08586	17.1
121.06493	1.7
121.10151	10.0
123.11708	3.3
125.06012	6.9
125.09611	1.0
129.07080	0.8
131.08548	1.9
133.10144	15.6
135.08072	3.4
135.11696	17.7
137.09578	1.9
137.13324	1.2
139.07547	3.3
143.08565	2.0
145.10118	7.7
147.11670	10.5
148.84425	0.8
149.09702	1.0
149.13268	2.9
151.11177	2.1
157.10149	2.1
159.08073	1.9
159.11676	4.1
161.09679	2.5
161.13268	2.3
163.14801	5.1
169.10146	1.6
171.11716	2.0
173.09648	5.3
173.13239	2.0
175.11180	5.0
177.09166	3.6
182.10994	0.8
187.11157	7.1
187.14842	7.1
189.16389	36.4
191.10724	3.7
197.13281	3.8
199.11288	1.0
199.14766	1.6
201.12721	1.4
203.18034	1.4
205.15924	3.8
205.19525	1.2
207.17439	74.3
211.14864	2.7
213.16391	1.9
215.14339	15.8
217.15895	1.4
229.15886	67.1
230.16386	1.3
231.17424	7.3
233.15376	22.3
243.17403	4.1
247.16960	18.7
249.18677	1.1
257.19012	2.0
269.19186	1.5
283.20758	3.3
297.22116	1.0
315.23013	1.1
419.33163	3.2
437.34201	27.4
455.35248	100.0
456.35507	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	454.171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52869	0.4
55.01870	0.6
56.88417	0.5
56.96569	1.1
60.41707	0.5
61.52668	0.4
69.03423	0.6
69.50536	3.3
70.06580	0.4
82.01366	0.5
82.06567	1.6
84.04492	1.3
84.08136	1.1
85.02905	2.4
86.09675	0.5
91.05496	0.7
93.07040	0.8
98.97581	1.7
100.07587	0.6
103.05483	2.8
106.05102	0.6
107.04979	0.7
109.02883	1.2
119.04937	0.6
120.08108	39.6
127.03921	100.0
128.07086	11.6
128.07806	0.3
131.04932	0.9
139.03935	0.6
146.01219	0.6
147.04385	2.5
149.05997	0.8
157.06174	0.6
166.08647	17.8
175.07162	1.4
177.05522	0.6
206.04443	1.2
229.99591	0.5
237.02719	0.6
240.75688	0.4
265.05688	0.4
266.06284	0.7
276.07501	1.5
337.56860	0.5
436.11365	1.2
454.12805	0.6
454.19669	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73993	0.7
52.25775	0.6
53.03944	0.7
55.05500	2.5
57.03461	0.8
59.04992	1.6
63.63179	0.7
67.05514	1.5
67.84369	0.6
69.03410	1.6
69.07070	3.8
69.72650	0.7
70.06613	0.9
71.04999	13.8
71.44990	1.2
73.06553	3.6
73.27879	0.6
79.05508	4.3
80.32004	0.6
81.07063	21.3
85.02896	3.0
85.06496	0.7
87.00817	1.5
87.76579	0.7
91.05487	2.5
93.07056	12.6
95.04981	1.1
95.08601	2.5
97.02892	2.0
97.06546	1.5
99.04475	0.7
99.08096	4.2
105.01876	4.9
105.07018	1.1
107.04951	0.8
107.08604	11.6
109.02954	1.0
109.10173	2.8
111.08040	0.8
113.03027	0.7
119.01757	0.6
127.03928	2.5
130.29881	0.8
130.68716	0.8
135.11697	23.6
145.04977	1.4
152.05653	0.8
153.12753	100.0
171.13802	2.0
189.14870	1.4
215.19971	0.8
221.41354	0.7
226.07959	0.7
231.05037	1.2
249.06076	1.8
359.82095	0.8
362.54321	0.7
454.19086	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
55.01871	1.1
55.05519	1.4
57.03441	1.4
58.25184	0.7
59.05022	0.8
61.02937	1.1
67.05508	2.7
69.03440	4.1
69.07079	2.0
70.61328	1.5
70.61684	1.0
71.04999	11.7
73.02904	0.8
78.66090	0.8
79.05498	17.3
81.03421	2.5
81.07061	96.5
83.04990	7.4
83.08630	0.9
85.02914	8.3
86.09735	1.0
87.00832	2.6
87.04489	1.1
89.06053	1.0
91.05486	1.6
93.07037	3.7
95.04989	2.0
95.08617	2.7
97.02895	3.2
97.06537	1.4
99.04446	1.1
101.61683	0.7
105.01857	3.7
105.07027	2.1
107.08619	4.3
109.02883	2.5
109.06499	2.0
109.10153	4.3
121.10149	2.1
123.11711	8.6
127.03912	6.3
131.08595	0.8
133.10143	2.9
136.07516	0.8
137.05974	1.0
139.11195	2.5
145.04939	2.9
147.04337	1.3
149.09538	1.1
151.11182	12.5
159.02829	1.8
169.12251	100.0
169.22758	0.9
187.13281	7.9
219.13734	1.3
231.05014	1.2
237.14886	0.8
244.16524	0.7
255.15871	2.1
287.05573	0.9
288.05801	1.6
289.06113	2.1
290.06323	2.6
305.09674	0.9
425.55627	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.1
51.02382	0.1
53.00284	0.0
53.03946	0.4
55.01868	0.0
55.05507	0.1
57.03431	0.2
61.59669	0.0
63.02373	0.1
64.01366	0.0
65.03936	0.8
67.01862	0.1
69.03430	1.8
69.68624	0.1
69.69034	0.2
71.01360	0.1
71.04997	0.7
74.51833	0.0
81.03417	2.5
83.04980	0.1
85.02905	3.1
86.35379	0.0
91.05479	7.8
95.04968	0.1
97.02892	4.4
98.21460	0.1
99.04454	3.2
101.02422	0.1
103.03943	3.1
109.02126	0.1
109.02879	2.4
119.04943	20.3
120.05264	0.1
127.03915	4.2
145.04976	0.7
147.04407	100.0
148.04733	0.8
163.05861	0.1
165.05475	1.9
165.06874	0.1
187.06097	0.3
187.07420	0.1
231.06557	0.2
255.06532	0.1
271.08157	0.1
291.08621	5.0
292.09055	0.1
309.09674	1.8
351.10776	0.9
393.12119	0.1
417.11844	0.3
435.13034	0.1
453.13892	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.17
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60560	1.5
55.01872	19.3
55.05882	1.5
56.05028	5.8
57.03418	1.6
58.99590	8.7
61.01166	2.6
61.84018	1.7
62.51221	1.8
68.05018	4.1
69.07074	1.9
69.40347	14.2
70.02956	3.4
72.04527	12.5
73.02911	2.5
74.00661	7.4
76.01849	1.6
76.02225	12.2
77.17637	1.5
80.05004	4.9
81.05817	2.6
83.06108	3.7
84.04508	70.8
85.01144	25.4
85.02882	3.3
86.00655	26.2
86.98540	3.0
86.99059	53.3
87.02710	2.5
89.00603	1.8
90.05568	23.7
95.04995	3.4
96.04487	3.5
97.01102	5.5
97.02807	2.0
97.06541	6.1
98.00597	2.4
98.02434	3.1
98.06053	3.4
100.02216	1.9
102.03761	12.6
104.01666	6.2
109.07650	4.3
110.06071	2.2
112.02209	22.2
112.07594	2.0
113.00577	3.0
113.01730	3.4
114.00114	2.9
114.03759	9.6
116.01690	13.9
116.07075	6.6
119.04943	1.7
120.18708	1.8
126.03732	3.5
126.05499	10.0
127.02179	2.6
127.05020	3.1
129.06584	4.3
130.03250	10.3
130.05028	13.7
131.02759	22.0
137.08360	3.6
139.05026	3.4
140.01634	3.8
142.03223	16.3
143.02753	20.6
144.06575	7.0
155.08141	4.2
156.06534	3.8
157.04356	5.0
157.06067	1.9
158.02747	18.9
168.04813	2.5
169.04303	9.7
170.06375	6.7
173.09308	2.8
176.03818	5.4
181.06084	3.2
185.03819	55.3
188.07411	3.0
191.04950	8.5
193.06465	7.4
196.04335	8.7
199.07112	2.4
202.05359	2.6
203.04869	100.0
206.08461	2.7
211.05418	7.5
219.07938	10.4
224.03813	5.1
229.06427	46.8
231.08014	10.1
241.06430	5.3
247.07556	11.0
259.07358	2.4
269.05994	2.9
271.11136	5.2
287.07034	16.8
287.10321	3.5
305.11707	39.7
313.08600	2.3
323.12708	3.7
345.11026	2.2
354.86230	1.8
359.09125	2.5
376.11731	4.7
434.16028	3.1
452.16779	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	452.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
53.71221	0.3
55.01871	0.9
56.05849	0.3
57.03441	0.6
61.02928	0.6
67.05505	1.5
68.99802	1.0
69.03441	2.0
71.52849	0.5
72.12234	0.3
73.02939	0.5
73.12440	0.3
79.05500	1.6
81.03418	0.7
81.07048	1.3
84.94531	0.3
85.02914	6.5
87.04434	0.3
91.03963	0.4
91.05495	0.7
93.07040	0.7
95.04988	2.2
95.08625	0.9
97.02883	1.6
98.97582	0.7
103.05473	1.8
103.59523	0.4
105.07038	1.7
107.04946	2.1
107.08575	0.4
109.02897	0.5
109.06509	2.9
119.08604	0.5
121.06532	1.2
123.04436	100.0
124.04821	0.5
127.03924	1.0
129.10046	0.3
131.04932	0.6
133.06487	0.4
135.08073	4.0
137.05986	85.1
137.49829	0.3
138.06326	0.5
145.04962	1.2
147.04433	2.2
149.05978	3.8
151.07545	2.7
160.05159	0.4
161.06001	0.7
163.07553	20.7
165.05498	0.9
173.05968	0.5
179.07111	0.4
184.07288	0.6
185.06023	0.3
189.05444	1.3
231.06525	0.6
249.07558	0.4
271.18918	0.6
272.19394	1.0
272.46872	0.4
273.11227	38.8
285.11261	0.4
297.11182	0.6
324.08005	0.3
339.12323	1.0
339.38947	0.3
381.13388	0.7
384.10672	0.4
399.14404	1.0
452.10037	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04162	1.3
53.03952	1.4
53.44774	1.2
55.05513	10.8
57.03441	2.4
57.07054	4.8
58.71075	1.3
67.05515	9.3
69.07069	14.6
71.08618	2.6
71.17838	2.8
77.68161	1.4
79.05482	4.8
79.11135	1.3
81.07066	12.8
83.08629	10.1
85.06555	1.8
85.10183	1.5
92.69951	1.6
93.07032	4.1
95.08610	9.2
97.06521	1.9
97.10172	4.7
107.08586	3.1
107.91778	1.4
109.10139	4.6
113.00030	70.6
121.10125	4.3
133.08661	1.9
135.11688	2.6
150.57916	1.5
169.02626	100.0
187.03621	2.2
234.72354	1.7
249.18762	1.4
265.25421	2.9
288.68402	1.4
336.74393	1.6
339.28958	38.2
413.86032	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.4
55.65674	2.6
57.07085	22.4
58.77462	2.1
66.66973	2.8
67.05499	2.9
69.07062	6.8
71.08636	16.4
71.25978	5.4
81.07050	7.7
83.08608	5.6
85.10194	5.5
89.06055	2.9
91.05454	2.8
95.08618	6.7
97.10167	5.5
98.11782	2.3
102.79224	2.2
105.03400	12.5
109.10149	5.6
111.11752	3.0
129.07028	2.7
131.08575	9.3
133.08632	2.9
143.08566	3.5
151.57092	2.1
153.06940	2.4
156.03207	2.2
157.06529	7.1
159.08090	9.7
167.08601	4.5
171.08040	20.3
181.10051	2.5
185.09677	17.7
187.07550	100.0
194.07285	4.0
195.07936	3.2
196.09015	2.6
197.09615	11.6
198.06818	3.7
199.07466	12.8
209.09647	6.3
211.11208	8.2
213.09132	10.3
223.11200	5.2
225.09225	3.4
225.12790	6.3
227.10704	10.4
237.12762	3.0
241.12244	5.4
255.13882	4.6
338.30832	2.2
385.10629	2.5
432.04611	2.3
433.34445	5.2
451.35748	83.9
468.63159	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	451.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23253	0.8
55.05505	2.4
57.03435	1.8
61.02922	1.3
67.05505	4.6
69.03432	1.5
69.07072	3.1
70.06602	2.1
71.04997	2.1
71.53875	1.0
79.05489	3.3
80.80177	1.0
81.03410	1.3
81.07062	11.0
83.04953	0.8
83.08624	1.1
85.02921	3.3
85.06538	1.4
86.09671	0.8
91.05471	5.7
93.07043	4.4
95.05019	1.7
95.08623	9.3
97.02874	1.1
97.06532	1.4
97.10153	1.0
98.97556	0.9
99.08105	0.9
105.05461	0.8
105.07026	3.5
107.04958	2.5
107.08571	2.5
108.05766	1.1
109.06522	2.0
109.10162	1.9
117.07034	1.0
119.08576	4.0
121.06483	1.9
121.10182	1.4
123.04424	2.0
123.08035	1.4
123.11703	1.1
129.07082	0.8
131.04910	1.1
131.08517	0.9
133.06441	1.1
133.10127	3.8
135.08046	1.1
135.11678	1.9
136.05180	2.6
137.05954	7.8
138.06703	1.3
145.06476	1.3
145.10103	1.2
147.04445	1.3
148.05200	15.8
151.03908	2.9
151.07556	4.0
153.09097	1.2
157.10219	1.0
159.08098	2.1
161.06036	2.4
161.13300	5.3
163.07553	2.3
165.05530	2.6
165.09187	1.6
166.06256	9.2
167.07025	3.4
173.09639	1.9
176.08307	3.1
177.09100	3.8
179.10670	0.9
179.14294	6.6
180.07820	1.9
181.08607	100.0
182.09113	1.4
182.45024	1.1
187.07582	1.3
188.08376	1.0
189.09119	1.2
190.09895	2.0
191.07054	1.5
191.10745	1.8
193.08649	2.9
195.10172	5.0
197.15318	1.3
201.09207	1.5
202.09882	3.0
203.07001	1.3
206.09398	1.1
207.10136	6.9
216.11484	1.8
219.10283	1.6
221.11700	1.6
233.11703	4.6
235.38556	0.9
247.13341	3.1
251.12711	4.3
253.17966	1.6
271.19046	13.2
359.22211	1.9
384.19183	2.6
400.18839	8.3
412.11905	1.0
415.21280	6.0
451.28519	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.05525	0.3
61.02925	0.5
67.05500	0.4
69.03414	1.1
71.08718	0.3
78.67870	0.3
79.05510	0.7
80.05017	0.4
81.03402	0.5
81.07057	0.5
85.02923	2.2
91.05483	1.9
93.07059	0.5
94.06583	0.7
95.04976	0.3
95.08609	0.5
96.08131	1.0
97.02889	1.6
100.11280	0.3
103.05502	0.3
105.07026	0.4
106.06563	2.0
108.08132	0.7
109.02892	0.3
116.04968	0.5
117.05804	0.4
118.06552	2.7
119.07333	1.1
120.08111	12.5
121.02927	0.4
122.09670	0.6
123.11703	0.3
124.07590	7.1
126.09139	0.6
127.03901	0.5
134.06013	5.5
136.07593	2.1
136.66307	0.3
137.05937	0.6
138.05496	0.9
138.09116	0.6
145.04922	0.7
145.08910	0.3
146.05983	5.1
147.06807	2.5
148.07581	10.6
150.09172	1.1
152.07104	0.7
153.01836	1.6
154.12248	0.4
163.03882	0.9
164.07076	53.4
165.07692	0.8
166.08665	2.2
168.66449	0.3
194.12479	0.3
198.09189	0.7
198.12915	0.3
200.10721	0.6
214.10983	0.9
215.15413	1.8
216.10223	1.8
226.12206	0.4
228.10231	0.4
229.13402	1.2
243.14949	8.0
245.16539	3.1
253.13313	1.0
254.11804	1.0
271.14426	25.4
287.05588	1.0
288.05865	0.5
289.07010	2.8
289.15479	100.0
290.15814	1.2
451.11075	0.4
451.20819	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	451.1237
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
53.03958	2.3
53.12255	1.9
54.34977	1.8
57.03436	2.6
61.02941	2.6
69.03431	6.1
69.07075	2.4
70.06596	3.9
71.04998	3.9
71.52735	3.2
78.90150	2.0
79.05493	2.6
81.03413	3.5
81.07034	3.6
85.02914	18.7
86.09718	6.3
86.42858	1.7
91.05500	5.3
91.56264	1.8
97.02888	7.5
107.04969	22.6
109.02923	3.0
121.02889	7.6
125.06018	2.7
126.40051	1.9
127.03940	4.8
131.04942	2.4
136.07597	2.4
137.05998	4.0
149.01163	3.4
149.02348	61.8
153.01836	11.7
153.05499	5.2
154.05910	2.3
165.01842	4.1
167.03426	1.9
169.06480	3.1
177.05476	2.7
185.08127	5.4
186.08447	6.8
195.03082	2.2
197.06032	4.5
215.07050	68.3
239.07179	3.4
243.06541	100.0
255.06471	2.7
271.03070	4.3
271.06036	85.4
285.07645	3.8
289.07034	16.2
313.07169	6.5
322.96188	2.2
387.10883	2.9
477.44510	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	450.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	7.3
55.01877	7.4
55.05505	3.4
57.03432	4.3
57.07076	1.7
61.02921	6.1
61.25079	1.3
67.05509	18.9
69.03436	18.2
69.06742	1.4
69.07069	9.2
70.06564	1.5
71.05006	7.7
71.53869	2.3
73.02916	5.6
79.05495	5.7
81.03423	20.0
81.07063	16.8
83.04991	2.0
83.08617	4.5
84.08139	1.6
85.02911	56.8
85.06536	5.6
86.09695	1.6
87.00838	20.1
87.04468	4.0
91.03982	3.5
91.05492	3.1
93.07052	23.4
95.04978	4.9
95.08625	9.3
97.02892	35.9
98.79964	1.4
99.04468	11.5
105.01874	31.3
105.07034	3.9
106.06558	1.6
107.08595	28.2
109.02878	19.9
109.10173	10.8
117.01840	3.0
118.58349	1.3
121.09330	2.0
121.10154	28.1
123.11689	8.6
127.03926	46.4
129.01854	3.5
144.10248	2.3
145.04973	24.0
147.11658	2.3
149.13272	100.0
151.14833	1.4
153.01868	1.5
159.02884	13.0
159.11784	1.5
165.12776	12.0
167.14325	48.4
168.62456	1.6
185.15416	5.2
213.04128	2.2
231.05014	14.4
249.05951	5.0
271.18918	1.5
272.20102	9.2
286.07919	5.2
287.05472	7.8
287.08148	2.8
288.05817	19.5
288.08536	5.0
290.21188	1.6
364.24622	2.2
376.25049	1.8
450.28546	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	450.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	23.4
57.07077	9.9
67.05511	54.9
69.07075	31.8
69.96003	11.7
69.96381	7.8
70.06581	4.4
71.04994	3.8
71.08644	9.8
79.05514	19.0
81.07060	68.5
82.44736	3.8
83.04982	4.7
83.08633	25.4
87.00845	15.3
87.05804	4.0
88.07678	5.2
91.05474	14.8
93.07063	23.3
94.07389	6.1
95.05000	4.1
95.08611	57.5
97.06541	5.1
97.10199	16.9
98.20868	5.2
102.09196	6.8
103.75883	3.6
105.07024	5.8
107.08620	19.3
109.10172	28.8
111.08113	4.3
119.04960	18.1
119.08613	6.8
121.10160	24.4
123.11736	13.0
124.11192	3.9
125.09570	5.5
133.10104	11.9
135.11703	17.1
137.13268	9.4
147.04430	100.0
149.02359	27.8
149.13281	10.7
153.12856	4.8
155.10648	4.2
159.11737	3.9
163.14864	8.9
165.05461	19.9
193.04933	34.4
215.17961	13.3
219.21060	13.8
233.19057	15.1
237.22191	31.8
251.20107	49.6
255.23392	24.5
284.29553	15.5
287.05536	23.4
288.05862	65.7
323.22180	26.9
341.23212	25.9
359.24084	5.3
415.26935	57.2
450.32349	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	449.3987
Annotation	sitostanetriol
Peak:m/z	Relative Intensity
55.05515	16.9
57.07060	10.0
59.75865	3.1
67.05495	7.3
69.07066	19.1
69.07366	2.9
71.08641	15.7
71.08953	3.2
79.05482	4.3
81.07043	9.4
83.04953	3.7
83.08614	16.9
85.10168	6.1
85.57802	3.3
91.05453	3.8
93.07027	8.4
95.04965	5.8
95.08597	12.7
97.10145	14.0
97.10717	3.9
104.06126	3.4
105.07022	5.0
107.08571	5.0
109.06522	4.2
109.10145	14.1
111.08061	10.3
119.08591	12.4
121.06447	3.5
121.10208	3.3
123.04406	5.8
123.08038	4.7
123.11732	4.6
133.10103	6.6
134.61061	3.0
135.11705	4.8
137.09621	19.1
139.07542	30.1
143.23169	3.3
143.44095	3.3
151.11148	8.7
165.09091	8.1
165.12741	6.7
179.14255	7.3
193.15900	6.6
207.17393	4.6
287.05405	3.8
347.29364	6.0
403.39240	21.6
410.91620	3.2
431.38818	77.0
449.33597	5.0
449.39896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.7
55.05520	2.9
57.03429	1.5
59.08187	0.6
61.02923	1.0
65.03936	0.9
65.36937	0.5
66.34667	0.5
67.05508	9.2
69.03435	3.9
69.07082	3.5
69.28847	4.7
70.06590	0.8
71.04996	4.3
73.02896	0.6
79.05492	4.6
81.03412	2.5
81.07063	13.3
83.04950	0.7
83.08611	2.2
84.08157	0.6
85.02914	10.2
85.06562	2.8
86.09692	1.6
87.00827	3.1
91.05479	6.4
92.06275	1.2
93.07050	8.8
95.04991	0.8
95.08617	11.9
97.02901	5.8
97.06552	3.1
97.10185	1.0
99.04438	1.1
99.08092	1.1
105.01862	2.9
105.07027	3.6
107.04932	1.3
107.08592	6.2
109.02866	2.5
109.06537	1.2
109.10157	6.0
111.08083	1.2
112.82490	0.6
117.07008	1.2
117.55989	0.5
119.04890	0.6
119.08569	4.9
120.04443	0.6
120.05734	1.1
120.08099	0.8
121.06487	1.0
121.10139	5.4
123.04435	0.9
123.08146	0.9
123.11700	2.4
125.09592	0.7
127.03938	5.6
130.58064	0.6
131.08578	5.5
133.10143	6.3
135.04417	1.3
135.08040	1.1
135.11697	4.5
137.02376	0.7
137.05951	2.5
137.09610	2.1
137.13281	1.2
139.03876	1.4
145.04971	4.5
145.10115	3.7
147.11679	2.0
149.06007	0.8
149.09648	1.5
149.13283	3.9
151.03900	0.6
151.11174	2.2
153.01813	4.8
159.02870	1.4
159.08003	0.7
159.11691	3.0
161.13203	0.6
163.11147	0.6
164.07089	0.9
165.12781	1.1
167.07074	0.7
167.10730	0.7
173.13246	1.3
181.04941	2.9
187.14903	0.9
195.13780	0.9
215.17950	7.6
231.05005	1.2
233.19017	8.3
251.20062	13.8
269.21130	26.4
279.06351	0.7
286.07971	1.2
287.05505	100.0
287.22180	4.6
288.05823	2.2
288.12161	2.6
317.06525	1.3
437.39905	0.6
449.14499	2.4
457.00861	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.01868	0.7
55.05510	0.8
57.03437	0.9
61.02931	0.8
65.03923	0.4
66.04710	0.4
67.05503	0.9
68.99782	0.5
69.03439	2.6
69.07073	0.4
69.77734	1.5
71.04975	0.5
73.02897	0.3
79.05495	2.4
81.03419	1.6
81.07066	1.9
85.02913	7.7
85.06566	0.3
87.04436	0.4
91.03962	0.4
91.05476	1.3
93.07053	0.9
94.04202	0.8
95.04985	0.6
95.08595	0.6
97.02909	2.5
99.04446	0.4
103.05481	1.1
105.03407	0.3
105.07045	1.1
106.23143	0.3
107.04955	1.4
107.08585	0.4
109.02888	0.9
109.06522	5.3
109.10178	0.6
117.07001	0.5
119.04948	0.7
119.08598	0.5
121.02876	0.3
121.06503	0.7
123.04433	0.5
123.08111	0.3
123.14689	0.3
127.03935	1.2
131.04916	0.6
133.06453	0.3
135.04420	1.0
135.08070	2.8
135.11719	0.3
137.05988	100.0
138.06349	0.5
145.04993	0.8
145.06441	0.4
145.10074	0.6
147.11722	0.3
148.05180	0.3
149.05997	0.8
151.07565	0.5
153.01855	1.6
159.08099	0.4
161.02328	0.3
161.05986	3.5
163.07559	12.0
165.05476	0.4
169.10129	0.3
175.07558	1.2
179.07037	1.9
187.07614	0.7
191.07068	0.4
194.05482	0.3
203.07018	2.2
227.07077	0.6
241.05139	0.3
245.08122	0.8
263.09171	1.1
269.12955	1.7
285.07758	0.3
286.07886	0.5
287.05527	38.0
287.12650	9.2
288.05865	0.5
299.12796	2.7
311.12732	1.1
315.12305	0.5
315.16101	0.3
323.12701	0.3
353.13791	0.8
413.15982	0.8
431.13950	0.5
449.15808	0.4
449.29224	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16208	0.5
53.03934	0.8
56.05006	0.5
57.03450	0.5
57.84391	0.4
61.02929	1.0
63.75322	0.5
65.01951	0.5
69.03432	5.1
71.01364	1.0
71.04987	1.1
71.49280	0.5
73.02920	1.6
81.03416	5.8
81.07063	0.5
83.04967	0.5
85.02909	15.1
86.09708	0.9
93.22646	0.4
97.02896	34.2
99.04461	10.6
103.03947	10.5
103.04468	0.3
105.07030	0.8
109.02892	6.1
125.02357	93.9
127.03924	21.8
127.04705	0.5
136.66695	0.5
137.05994	1.2
143.03401	100.0
145.04967	10.3
147.04424	0.8
163.06009	2.2
169.04951	0.9
187.06020	1.9
203.07002	0.8
221.08003	0.9
238.65659	0.5
253.07091	0.7
268.99298	0.4
271.08115	1.6
287.05411	5.7
364.63913	0.6
429.29623	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.6
56.05033	1.1
56.96568	15.3
57.03436	2.6
61.02911	2.8
65.03936	1.4
67.57021	0.9
69.03423	7.2
71.04996	1.9
71.52475	1.2
72.08149	1.8
73.02918	2.5
76.14600	0.9
81.03398	3.2
81.07047	1.4
83.97643	5.2
84.04505	2.6
84.08153	1.3
85.02913	19.8
85.06538	1.4
86.09692	2.2
87.04461	1.7
90.54901	1.0
91.05477	3.2
97.02887	11.6
97.99210	1.6
98.97589	24.8
99.04438	1.7
99.97088	1.4
103.03928	1.1
108.01564	1.0
109.02876	2.9
110.97569	3.2
112.07606	2.4
112.99140	2.1
113.03486	1.0
115.03914	1.7
115.08652	1.1
116.98627	5.3
119.01855	1.5
119.04955	3.1
121.06484	1.2
123.04409	1.1
123.22598	0.9
124.99154	1.2
125.02344	5.5
126.05527	3.4
127.03934	7.6
128.00208	22.0
128.02315	1.1
128.07048	1.3
128.98608	4.7
130.08636	2.2
131.00188	1.4
135.04489	1.2
135.54245	0.9
137.05998	2.4
137.98656	2.3
138.05505	1.0
141.10173	1.1
142.01726	1.8
143.00162	3.1
143.01918	1.2
143.03398	6.4
145.04939	3.9
146.01260	43.3
146.99672	1.6
147.03258	1.2
147.04413	15.9
155.04640	6.0
155.99680	9.6
158.99715	7.8
159.00813	1.6
159.03238	1.1
160.02808	2.1
161.01183	1.4
161.03064	1.4
161.04681	2.5
164.02324	37.1
164.05225	1.2
167.06993	1.6
170.04921	2.0
170.99631	1.9
173.01338	1.1
174.00732	8.7
177.00754	6.8
177.05542	1.5
182.03384	8.5
186.04384	7.2
188.05832	1.4
189.00729	2.3
189.04344	1.3
190.03792	2.3
191.05719	1.2
192.01828	3.2
192.91127	1.2
196.02705	6.3
198.84476	1.1
200.04338	1.1
201.00706	2.5
201.04265	1.1
202.00240	4.5
204.05458	22.7
207.05344	1.1
208.04910	1.1
213.05487	7.7
214.03893	18.3
214.05760	2.1
219.01785	9.4
220.01324	4.1
222.06511	6.1
226.03873	3.5
227.06750	6.4
227.08990	1.1
227.56874	1.4
231.06607	7.8
232.04855	5.4
233.06721	3.2
236.07304	8.2
236.57442	1.4
237.02893	10.5
237.05290	1.9
242.07303	3.7
244.04922	33.5
255.06532	8.7
262.05991	100.0
273.07516	3.4
276.07687	1.5
280.07050	8.0
285.07513	2.4
287.05435	4.1
291.07391	2.0
292.09586	1.6
303.07404	2.2
308.59860	1.3
309.08508	2.4
315.08929	1.6
316.60986	1.8
317.09995	3.3
319.07053	1.2
321.08539	2.4
323.10187	1.4
333.09750	9.9
335.10001	1.5
351.09692	1.5
360.09738	1.9
361.04025	1.1
367.08835	1.2
407.15866	1.1
413.12231	2.5
431.13330	20.3
449.14371	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03953	0.6
55.42119	0.3
57.03436	0.9
61.02919	1.4
61.28102	0.3
66.18768	0.3
67.05501	0.3
68.99797	0.8
69.03423	2.4
69.44924	0.3
70.62280	0.8
71.04992	1.4
81.03422	1.6
82.66920	0.3
84.08109	0.3
85.02910	9.2
91.03939	0.6
97.02891	2.7
99.04467	0.4
107.04984	0.5
109.02879	1.1
111.00816	0.8
120.08108	0.4
121.02874	1.9
127.03909	1.9
135.04430	0.3
137.02362	1.0
145.04984	1.3
153.01825	4.4
157.06433	0.5
165.01872	1.3
183.02864	0.7
185.05971	0.7
213.05498	1.3
229.05087	0.4
230.01447	0.3
231.06538	0.4
241.05009	1.0
258.05310	1.0
259.06064	0.3
287.05511	100.0
288.05890	1.4
303.04901	2.4
329.08240	0.3
393.91873	0.3
449.27322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
57.03432	0.3
61.02647	0.3
61.02928	3.6
67.01859	0.3
68.99803	0.4
69.03423	0.5
69.19360	0.9
69.19784	0.7
72.16145	0.2
73.02920	1.0
81.03420	0.4
81.05884	0.2
85.02908	3.1
90.71677	0.2
91.03961	2.2
97.02904	1.9
105.03424	0.2
107.04966	0.3
107.56432	0.2
109.02866	0.2
111.00789	0.5
121.02850	1.7
124.11785	0.2
127.03921	0.6
135.04408	0.7
137.02333	0.7
145.04974	0.4
147.04457	0.3
153.01834	3.8
165.01894	0.9
180.96812	0.2
183.02916	0.5
185.05952	0.4
213.05470	0.9
231.06538	0.4
241.05000	0.7
244.09615	0.4
258.05200	0.7
259.05914	0.3
269.04370	0.4
287.05499	100.0
288.05869	1.6
378.15182	0.2
379.16165	0.3
449.11136	0.3
449.17950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1083
Annotation	5,7,2',6'-Tetrahydroxyflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
56.21661	0.1
57.03419	0.2
61.02905	0.2
61.52388	0.1
63.81778	0.1
65.28584	0.1
67.01839	0.4
67.05478	0.2
68.99777	0.4
69.03402	0.5
69.07032	0.2
70.86543	0.3
73.02912	0.1
81.03411	0.3
85.02880	0.5
85.06541	0.3
91.05444	0.2
93.07043	0.2
95.08581	0.3
97.02872	0.3
117.05428	0.2
121.10113	0.2
127.03893	0.2
135.04437	1.6
137.02312	0.6
147.11687	0.2
153.01837	5.0
161.02338	0.5
171.02899	0.2
179.03294	0.3
203.03346	0.2
205.82384	0.1
241.04924	0.5
245.04436	0.2
269.04486	0.4
286.04947	0.3
287.05505	100.0
288.05811	1.2
302.04105	0.3
303.05002	0.2
317.06543	2.6
449.10818	20.8
450.11176	0.4
464.99548	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	449.1079
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
51.74429	0.1
61.02914	0.2
67.01865	0.4
68.99787	0.3
69.16326	1.4
69.16714	0.4
81.03405	0.1
87.51786	0.1
92.10407	0.1
98.20754	0.2
100.70459	0.1
107.04922	0.1
135.04428	1.5
137.02330	0.4
153.01826	4.9
161.02345	0.5
166.74257	0.2
171.02895	0.2
179.03375	0.2
192.04707	0.1
198.30620	0.1
241.04930	0.4
264.14740	0.2
269.04446	0.4
287.05499	100.0
288.05865	1.2
360.61877	0.2
420.53543	0.1
449.10986	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1081
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
51.12594	0.1
67.01852	0.7
67.05508	0.2
68.99794	0.3
69.28054	1.2
81.07069	0.2
85.02898	0.2
89.03915	0.1
98.20731	0.3
109.02912	0.2
135.04439	1.5
137.02371	0.4
153.01834	4.3
161.02364	0.4
171.02882	0.3
179.03342	0.2
219.06534	0.1
221.09203	0.1
226.19786	0.1
231.06516	0.2
241.04971	0.5
269.04474	0.5
287.05505	100.0
288.05823	1.6
293.20520	0.1
312.52713	0.1
388.99789	0.1
397.52737	0.2
416.72849	0.1
449.10837	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01863	2.4
55.05499	2.2
57.03432	2.5
57.21114	1.9
58.05416	1.6
67.05499	3.9
69.07065	10.3
69.99837	6.8
71.05003	3.3
74.02401	1.9
79.05500	15.9
81.03403	4.1
81.07054	12.6
81.88216	1.8
83.04969	5.3
85.02895	8.1
85.30350	1.8
86.09692	2.1
91.05486	10.9
93.07042	23.2
95.04952	8.0
95.08609	10.4
97.02880	5.3
97.06531	15.9
98.20676	1.9
99.04441	5.7
105.07034	24.7
107.04971	12.8
107.08614	18.2
109.06503	7.8
111.08064	2.1
117.07003	9.7
119.08564	7.4
120.99553	2.9
121.06511	14.4
121.10149	6.1
125.05962	10.3
127.03912	3.6
129.07022	2.4
130.07797	1.8
131.04935	2.1
131.08539	6.6
133.06493	5.0
133.10114	4.3
135.04417	4.5
135.08043	6.2
135.11710	13.3
137.05971	7.5
138.02240	2.0
139.07542	4.8
141.07025	1.8
143.07004	7.1
143.08534	4.7
145.06496	2.6
145.10135	45.7
147.11650	9.5
149.05942	2.4
151.07547	3.4
153.01823	3.4
154.07716	2.1
158.07358	2.6
159.08081	2.4
159.11691	10.8
161.09579	3.3
161.13339	1.8
163.11192	100.0
169.10121	3.4
173.09637	39.9
181.12216	13.9
182.07196	2.0
187.11203	21.2
189.12744	5.4
191.10681	16.4
197.09583	3.7
205.12268	12.3
209.11780	2.4
215.10736	17.3
227.12874	15.1
233.11728	83.6
251.10144	2.1
251.12788	42.5
269.13745	7.2
274.04697	1.9
285.07428	2.4
286.08026	8.9
287.05518	70.0
289.48621	1.6
302.04288	5.7
317.06567	15.1
321.33740	1.7
375.61102	1.8
448.23245	2.4
457.87808	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	447.3835
Annotation	13'-OH-alpha-tocopherol
Peak:m/z	Relative Intensity
55.05516	48.2
57.07077	88.1
67.05501	5.6
68.63441	4.2
69.06731	7.4
69.07075	89.6
69.21568	12.6
69.21993	25.8
69.65113	3.9
69.97369	3.9
71.08640	58.8
81.07055	10.2
83.08620	69.5
85.10184	31.9
95.08598	6.3
97.10174	62.7
99.11729	5.5
101.42626	4.5
107.08612	9.2
109.10181	4.4
111.11710	42.8
119.08601	5.1
120.64214	3.9
121.06529	8.1
125.13258	19.2
135.08052	14.6
137.09618	5.6
139.07585	25.4
139.14824	6.3
149.02356	60.1
149.09615	9.6
151.07529	19.7
153.09111	16.2
161.09648	4.2
165.09122	73.5
167.03436	7.5
169.08620	8.8
177.09200	6.1
179.10652	9.7
181.08600	28.4
191.10612	9.1
205.12228	6.7
285.07529	13.2
429.37286	22.8
430.38379	5.8
447.38306	100.0
448.39240	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.5
55.05505	4.5
55.42591	1.4
58.11753	1.6
61.02934	3.4
65.25398	1.6
67.05486	4.6
69.03425	2.8
69.07066	11.1
70.67933	3.4
70.68269	2.2
71.04969	4.0
73.02893	2.2
79.05505	11.2
81.03458	1.6
81.07059	12.4
83.04984	5.7
85.02915	9.0
85.06537	1.8
91.05486	7.5
93.07051	19.9
95.04978	5.2
95.08613	10.8
97.02888	4.9
97.06544	11.6
99.04444	5.5
105.07038	19.0
107.04967	9.3
107.08595	14.8
109.06541	9.1
109.10155	2.1
111.08102	2.4
117.07031	5.2
119.04984	2.4
119.08578	8.3
121.06504	15.7
121.10155	5.1
125.06001	11.7
129.07001	1.8
131.08566	6.7
133.06467	3.6
133.10202	3.0
135.04358	1.8
135.08040	4.4
135.11693	10.1
137.05975	5.7
137.13274	1.9
139.07541	1.9
143.07028	10.1
143.08548	2.6
145.06516	3.6
145.10133	40.2
147.08006	2.4
147.11697	8.5
151.07530	2.3
153.01852	4.4
153.09094	2.0
155.08444	2.6
157.10143	2.5
159.08092	3.1
159.11665	11.8
161.09666	2.9
161.13254	2.6
163.11186	100.0
164.11534	1.8
169.10121	3.5
173.09639	39.5
175.86418	1.6
181.12259	11.8
185.88939	1.7
187.11171	19.4
189.12759	4.8
191.10695	15.5
197.09689	2.6
205.12256	9.6
209.11787	2.1
215.10674	18.4
227.12776	14.1
233.11731	70.8
251.12804	35.0
269.13931	8.2
285.07565	4.8
286.07953	8.1
287.05515	43.1
287.08420	1.1
302.04199	3.2
317.06528	8.7
448.23889	3.0
449.10648	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	447.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75604	1.0
53.03959	8.3
55.01868	5.4
55.05516	23.4
57.03447	6.8
57.07085	1.8
65.03949	3.4
67.05512	37.2
69.03426	3.2
69.07072	10.8
71.01341	1.9
71.04996	3.5
73.96287	1.0
78.44922	1.3
79.05062	2.3
79.05502	35.0
80.23083	1.1
81.03426	46.0
81.07066	27.5
83.04974	9.0
83.08631	12.4
85.02888	1.5
85.06539	2.5
91.05486	32.1
93.07052	34.1
95.04977	24.6
95.08608	15.8
97.02937	2.5
97.06567	6.2
97.10181	12.2
98.16942	1.1
98.20635	2.5
103.05495	2.2
105.07047	21.0
107.04963	9.8
107.08603	22.6
107.36694	1.3
109.06512	5.7
109.10176	8.6
111.04433	1.7
111.08078	5.5
112.99996	1.9
113.31126	1.2
115.05475	1.6
117.07020	13.6
119.04925	1.8
119.08591	15.0
121.06501	9.6
121.10142	8.8
123.08055	3.3
123.11726	1.5
125.09637	8.5
128.06250	3.0
129.07008	13.2
130.59021	1.1
131.04976	2.7
131.08578	14.9
133.06519	5.6
133.10130	9.0
135.08101	4.9
135.11711	20.8
137.06015	1.8
137.09628	2.3
141.07028	4.0
142.07808	3.3
143.08595	7.9
145.06503	7.3
145.10121	10.1
147.08066	4.9
147.11691	4.9
149.02319	3.3
149.09613	4.7
151.07617	1.3
153.09102	2.4
153.12692	1.8
155.08553	4.2
157.06523	2.3
157.10118	8.6
159.08110	2.5
159.11729	4.5
161.09657	2.1
163.11221	7.2
165.12808	1.6
167.08542	1.7
169.10176	2.8
171.08080	2.8
171.11708	2.8
173.09656	3.0
173.11855	1.4
173.13319	3.1
175.11192	5.2
177.12840	2.0
181.10208	2.5
181.12257	2.6
183.08145	1.2
183.11734	3.3
185.09668	2.3
185.13235	6.3
187.11285	2.8
189.09200	1.6
189.11258	5.5
193.10292	1.7
193.12244	15.5
195.11678	2.6
197.09807	1.3
197.13330	2.2
199.11263	1.6
201.12807	1.5
203.14378	4.4
205.12250	2.3
211.11122	1.9
213.12692	2.1
223.13261	1.6
225.12823	2.2
227.12718	1.9
239.14244	2.1
242.05792	4.6
245.15506	1.9
249.14894	2.2
261.14761	2.1
270.05328	4.0
273.18631	1.5
285.07599	37.8
327.22992	2.2
329.21048	7.3
335.25854	2.3
337.21698	6.7
347.22354	2.5
355.22589	17.4
373.23914	8.3
391.25165	2.1
403.24762	9.6
429.26447	18.8
429.32767	2.1
447.27460	100.0
448.27948	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	447.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.2
55.05515	12.9
57.03444	11.2
57.07078	2.3
65.03943	1.8
67.05511	37.7
69.07074	8.5
69.64896	3.1
69.65309	3.3
70.42540	0.9
79.05496	20.4
81.07065	40.3
83.04963	1.0
83.08616	5.5
91.05482	10.2
93.07053	23.3
93.65661	0.9
95.04993	1.6
95.08613	29.3
97.06517	1.5
97.10162	1.9
98.98441	3.3
99.08089	1.2
105.07041	8.8
107.08609	14.7
109.10157	13.1
113.00024	63.1
117.05462	1.1
117.07012	3.6
119.08575	5.1
121.10154	11.4
123.11714	5.3
129.05455	1.0
131.08606	6.2
133.10107	4.9
135.11710	7.2
136.58412	1.1
136.99951	3.7
137.13261	1.8
145.10153	6.0
147.11667	4.0
149.13263	5.3
155.01048	2.9
159.11719	4.3
161.13231	3.4
163.14786	3.0
169.02621	19.7
173.13232	4.2
175.14798	1.1
187.03656	6.0
187.14851	1.1
232.90961	1.1
243.21037	5.4
261.22162	15.8
277.21664	1.1
285.07547	3.2
292.65375	1.0
311.25891	2.3
317.25009	6.5
335.25818	100.0
336.26154	1.8
439.29150	1.2
447.24969	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	447.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01880	2.1
55.05508	9.5
57.03442	10.7
57.07073	3.3
62.39426	0.9
67.05507	26.3
69.07072	10.7
71.08632	1.6
79.05495	17.5
81.07058	29.1
83.08616	7.0
87.58302	0.9
91.05487	10.5
92.04811	0.9
93.07044	21.4
95.08612	20.5
97.06545	1.1
97.10174	4.5
98.21548	2.3
98.98481	10.3
99.42886	1.1
105.07037	10.2
107.08601	13.3
109.06519	1.4
109.10156	9.7
111.08134	1.7
111.11662	1.1
113.00021	100.0
115.05888	1.1
117.07024	1.9
119.08591	8.5
121.10149	12.4
123.08092	1.1
123.11736	4.0
131.08571	5.6
133.10130	7.4
135.11722	8.2
137.00002	7.5
143.08513	1.3
145.10124	5.5
147.11681	4.2
148.40034	0.9
149.13271	4.9
155.01027	7.6
159.11665	3.6
161.13251	2.1
163.14856	4.7
169.02620	61.7
173.13249	3.0
175.14885	2.3
177.16388	1.2
183.38940	1.0
187.03711	7.4
187.14859	1.4
200.42545	1.1
233.22754	1.3
237.22205	1.1
243.21040	9.8
261.22131	26.5
277.21820	1.2
285.07446	5.1
311.25864	5.9
317.24655	5.0
335.25818	37.0
385.39185	1.1
429.23880	4.3
447.25064	16.4
447.42172	2.0
471.43042	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2226
Annotation	Dendroside G
Peak:m/z	Relative Intensity
53.03942	6.0
55.01860	5.3
55.05513	12.4
57.03439	29.7
57.07070	1.7
59.04997	1.5
61.02928	57.7
61.46812	1.8
62.75574	1.6
65.03933	1.6
67.05499	29.9
69.03430	27.5
69.07070	17.9
71.01332	2.2
71.04990	7.6
71.53786	3.4
73.02921	23.0
75.04477	2.0
79.05495	19.0
81.03420	21.2
81.07059	90.5
83.04990	8.6
83.08636	9.9
85.02907	53.3
85.06523	9.3
87.04461	3.3
91.03956	30.9
91.05479	24.3
93.07038	12.1
95.04954	3.4
95.08612	20.2
97.02301	3.6
97.02892	48.5
97.06527	8.2
99.04440	9.9
99.08076	5.8
101.02395	14.5
101.06017	2.6
103.03912	7.5
105.07037	37.8
107.08595	14.8
109.02863	12.4
109.06495	6.4
109.10165	3.5
111.04419	2.6
113.05970	2.7
115.03928	4.4
119.08583	33.3
121.10143	27.8
123.08065	3.9
123.11710	36.4
125.09659	1.5
127.03934	26.6
127.07546	4.9
129.05489	4.7
133.10210	2.4
134.83287	1.6
135.04402	2.5
137.05966	2.3
137.13249	5.0
141.09048	2.1
145.04959	7.6
147.11691	100.0
152.01024	2.5
157.10095	2.5
159.06569	3.2
165.05513	2.0
165.12759	63.4
167.07077	2.4
173.06090	1.5
175.11208	2.4
181.15796	2.2
183.06613	9.2
183.07997	2.8
183.13821	15.7
193.12228	8.3
199.16986	2.0
201.07634	8.7
211.13200	2.6
229.08633	2.5
229.14363	35.7
242.05727	2.0
267.15924	33.0
270.05215	3.5
285.07574	81.7
285.16956	91.7
286.17432	1.7
297.07504	4.0
298.08350	2.3
309.16989	4.7
313.16422	6.6
327.08597	7.8
327.17941	5.4
355.17438	2.3
393.18918	5.8
411.10709	1.7
411.20093	8.5
429.11826	3.0
429.20987	10.6
441.47122	2.0
447.12558	9.9
447.22281	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	447.2228
Annotation	Dendroside G
Peak:m/z	Relative Intensity
53.03946	7.0
55.01873	6.4
55.05506	9.3
57.03444	18.8
57.07076	2.0
57.79789	1.5
59.05024	2.2
61.02931	18.3
67.05510	26.7
69.03437	58.6
69.07070	13.6
69.89909	8.7
71.05006	12.4
73.02917	11.7
75.33264	1.7
76.65121	1.5
79.05499	17.3
81.03429	33.2
81.07063	80.0
83.01370	1.9
83.05003	8.6
83.08619	10.2
85.02914	88.1
85.06554	7.2
87.04475	9.1
91.03967	4.8
91.05490	26.5
93.07053	12.6
95.04974	3.6
95.08610	16.3
97.02901	39.6
97.06530	7.9
99.04445	13.4
99.08102	4.4
103.03957	4.2
105.07036	36.5
107.04988	7.1
107.08645	11.1
109.02891	19.2
109.06522	7.7
109.10104	1.6
115.03937	2.4
119.08597	29.8
121.10157	24.6
123.04372	1.8
123.08096	4.1
123.11710	34.5
127.03923	32.6
127.07574	3.1
127.11179	3.0
129.06998	1.9
131.08543	2.6
133.10146	2.5
137.05968	2.4
139.04932	1.5
141.09093	3.1
145.04980	11.2
145.10139	2.4
147.11696	94.9
149.02396	2.2
151.03969	3.5
155.10727	2.6
157.10193	2.0
159.06581	3.7
165.12772	67.7
175.11282	2.2
177.05661	1.8
179.55276	1.9
183.06490	4.3
183.13799	14.9
187.07492	2.0
193.12247	6.4
201.07574	3.9
211.13274	3.9
215.07037	6.9
229.08493	3.5
229.14346	36.4
242.05783	2.5
249.18575	2.3
267.15918	30.3
285.07620	77.7
285.16971	100.0
285.20178	4.8
301.07333	2.2
303.04947	2.2
309.17014	4.7
313.16483	4.1
327.17978	3.7
348.81915	1.7
393.18787	4.1
411.20105	3.3
429.21292	5.3
447.15860	7.0
447.22379	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	447.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.2
55.01870	0.4
55.05519	1.5
56.77124	0.3
57.03430	0.4
61.02928	0.5
66.80255	0.4
67.05505	0.6
69.03426	2.2
69.07076	0.4
71.04991	0.6
73.02918	0.5
75.04511	0.4
79.05492	0.6
81.03423	5.0
81.07045	0.7
83.04987	0.4
85.02911	6.1
85.06561	0.9
86.09747	0.3
91.05507	0.4
93.07043	0.7
93.50273	0.3
94.02708	0.3
95.08594	0.5
97.02890	2.4
98.20766	1.2
99.04463	2.4
103.03956	0.7
103.05492	1.0
104.05828	1.2
107.08609	0.7
109.02882	10.9
109.10168	0.6
113.06019	8.2
117.05500	20.8
119.08571	0.5
121.10167	0.5
127.03925	100.0
128.04230	0.5
131.04936	2.8
132.05264	2.4
133.10089	0.3
137.02373	0.8
141.05472	22.5
145.04958	1.6
151.07524	0.5
159.06541	7.7
163.07555	0.7
164.07907	0.9
177.07596	1.9
181.12253	0.5
187.06053	1.0
193.12172	0.7
201.05472	0.4
205.07175	0.7
214.06308	0.6
225.05530	1.1
242.05740	4.7
253.04973	1.3
270.02252	0.5
270.05234	15.7
285.07584	50.4
286.07965	0.4
390.18951	0.4
447.17648	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1289
Annotation	Glycitin
Peak:m/z	Relative Intensity
67.05463	0.2
69.03419	0.3
69.52289	0.3
69.52696	0.9
70.06588	0.1
71.04967	0.2
79.05479	0.2
81.03398	0.5
81.07064	0.2
82.39328	0.1
85.02885	0.5
86.09677	0.2
87.83067	0.1
91.05486	0.3
93.07006	0.2
93.76658	0.1
95.04945	0.2
97.02909	0.2
98.21574	0.2
103.27611	0.1
105.07024	0.3
119.08571	0.2
121.06490	0.2
121.10151	0.2
123.04453	0.2
123.76952	0.2
133.10219	0.2
134.03630	1.9
136.68832	0.1
137.02342	5.8
141.06960	0.6
149.02306	0.2
154.02679	0.2
163.11160	0.3
164.11569	0.4
169.06438	0.7
181.06520	0.4
183.04427	0.5
185.05882	0.2
186.06737	0.6
193.12251	0.2
195.48967	0.2
197.06021	1.8
197.11906	0.2
213.05467	2.7
214.06232	3.1
225.05479	6.7
229.08649	1.2
242.05803	1.8
253.04958	7.1
255.06421	0.2
257.08069	0.3
269.04449	1.8
270.05243	18.8
271.05682	0.3
285.07578	100.0
286.07904	1.1
363.84305	0.2
447.12183	0.2
447.17990	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99039	0.3
51.23492	0.3
57.03410	0.3
57.74432	0.3
61.74683	0.3
65.99935	0.3
67.05496	0.6
69.03422	0.8
71.04980	0.3
71.07276	0.6
71.48566	0.3
79.05496	0.4
81.03413	1.0
81.07048	0.7
85.02882	1.0
91.05483	0.7
93.07035	0.4
95.05003	0.4
97.02892	0.6
105.07042	0.5
107.04969	0.3
107.08619	0.4
109.02846	0.4
119.08570	0.4
121.06520	0.3
121.10146	0.5
123.04316	0.3
127.03907	0.5
133.10150	0.3
134.03629	1.6
137.02348	5.3
141.06970	0.4
145.10095	0.3
146.10527	0.3
149.02248	0.3
150.02818	0.3
163.11261	1.4
164.11533	1.4
169.06538	0.4
181.06454	0.5
183.04485	0.4
186.06784	0.6
190.10831	0.3
193.12256	1.1
197.06032	1.3
197.11743	0.7
198.12029	0.5
199.05974	0.3
199.12263	0.4
213.05537	2.9
214.06261	2.3
225.05476	6.1
229.08569	1.3
242.05760	1.2
245.13223	0.3
253.04964	6.1
257.08212	0.4
267.15805	0.5
269.04489	1.8
270.02234	0.5
270.05243	16.8
285.07581	100.0
286.07947	1.2
303.04794	0.4
447.18256	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1291
Annotation	Sissotrine
Peak:m/z	Relative Intensity
67.00011	0.0
67.01840	0.1
68.99814	0.1
70.08573	0.2
71.62103	0.1
90.60904	0.1
133.06500	1.0
135.04433	0.1
153.01816	1.0
159.04401	0.2
166.25703	0.1
225.05415	0.1
239.07204	0.1
242.05745	11.7
243.06215	0.1
257.08240	0.1
270.05237	11.3
271.05603	0.2
285.07581	100.0
286.04773	0.1
286.07922	1.4
447.12836	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36829	0.1
57.03441	0.1
61.02914	0.2
63.01191	0.1
67.01835	0.1
67.05504	0.2
69.03424	0.5
69.62088	0.6
71.04977	0.1
79.05482	0.2
81.03419	0.3
81.07063	0.3
85.02910	1.2
86.06041	0.1
87.04510	0.1
88.07612	0.1
91.03959	0.1
91.05478	0.2
95.08561	0.1
97.02878	0.4
105.07015	0.2
109.02843	0.2
119.08596	0.1
127.03930	0.2
133.06514	0.9
133.10149	0.2
135.04433	0.2
137.05937	0.1
145.05058	0.2
151.07626	0.1
153.01837	0.9
158.11763	0.2
162.86887	0.1
242.05759	12.1
243.06404	0.1
267.09113	0.1
270.05255	10.5
271.05640	0.2
285.07590	100.0
286.04767	0.3
286.07935	1.1
301.07123	1.1
416.99173	0.1
447.12994	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.129
Annotation	Cytisoside
Peak:m/z	Relative Intensity
53.03935	1.4
55.01875	1.1
55.05502	0.8
57.03437	1.7
57.57613	0.7
61.02927	0.8
65.77783	0.6
67.05524	1.7
69.03416	2.7
70.25948	1.4
70.26312	1.7
73.02908	0.9
78.90398	0.8
79.01849	2.5
79.05482	1.1
81.03410	2.7
81.07061	3.1
83.04961	0.8
85.02919	6.0
86.09698	2.0
91.05479	1.6
93.07034	2.3
95.08612	2.2
95.90060	0.6
96.61707	0.6
97.02882	2.0
97.06539	0.7
103.05464	0.8
105.07029	1.8
107.08580	1.5
109.02848	1.2
109.10115	1.0
113.02395	0.7
117.07043	0.7
119.08550	0.8
121.02873	1.0
121.06519	2.1
127.03928	1.8
130.06583	0.8
133.06490	3.3
134.07333	1.0
135.04417	24.2
135.11650	0.8
137.02341	7.1
138.23201	0.7
141.01814	0.7
147.11699	1.3
149.02342	1.5
151.03926	0.9
159.04445	2.1
161.13228	1.0
163.07591	1.3
165.01886	3.7
165.12892	0.8
175.04013	0.8
183.02924	0.7
187.03877	1.0
189.05537	0.8
193.01270	0.8
197.05890	0.7
199.04057	0.8
199.16873	0.9
205.05077	0.8
205.34317	0.8
211.07619	0.9
214.06412	0.8
217.04950	3.7
219.02864	1.0
225.05566	5.4
225.09129	1.6
227.07059	4.6
229.08592	4.1
234.10396	0.9
239.06982	0.8
241.08617	2.1
242.05772	2.3
242.09384	0.8
243.02942	2.0
252.04121	0.8
255.06616	1.0
256.07294	5.3
257.08145	2.6
261.03918	2.1
266.05896	0.8
267.06573	1.8
268.07324	2.1
269.08090	6.1
270.05298	2.5
270.08920	7.6
279.06906	0.7
280.07181	1.9
282.05267	1.7
282.08807	1.2
284.06747	2.4
285.07593	69.8
293.08090	0.9
294.05536	1.7
294.08878	3.1
296.06802	3.6
297.07574	65.1
298.08356	35.5
299.08984	1.7
303.05063	0.9
308.06918	1.9
309.07590	15.7
311.09171	19.4
312.06277	3.9
313.07007	0.8
319.09225	1.2
322.08395	3.3
323.09134	2.9
324.06299	1.0
325.07172	2.7
327.08630	92.1
328.09045	1.3
335.08994	0.9
336.06314	0.9
337.07037	2.2
337.10696	16.3
339.08670	5.1
341.10205	2.1
351.08636	19.0
357.09668	8.1
363.08716	1.3
365.10284	6.5
369.09644	2.2
376.26132	0.7
381.09683	12.5
393.09750	8.3
411.05270	1.6
411.10782	29.0
429.11829	49.8
447.12878	100.0
448.13232	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	447.1288
Annotation	5,6-Dihydroxy-7-methoxyflavone 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03936	0.2
55.01860	0.6
55.05500	0.6
57.03421	0.8
61.02926	1.9
65.03936	0.3
67.05505	0.9
68.99812	0.4
69.03426	1.0
69.07064	0.4
71.04987	0.3
73.02917	1.1
79.05481	0.7
81.03424	1.2
81.07055	2.9
83.08608	0.3
85.02904	2.5
91.03948	0.9
91.05468	0.9
93.07021	0.6
95.04957	0.4
95.08592	0.7
97.02891	1.8
101.02403	0.3
103.03969	0.4
105.07009	1.1
107.08577	0.6
109.02885	0.5
109.06499	0.3
119.04921	0.2
119.08581	0.7
121.02880	0.5
121.10138	0.7
123.11668	1.3
127.03927	1.1
133.06505	2.9
135.04436	2.3
141.01811	0.3
147.11681	3.1
149.02339	0.6
153.01834	0.8
153.05453	0.4
159.04405	1.0
163.03888	0.6
165.01831	4.8
165.12727	2.2
167.03387	0.6
177.01817	0.5
177.05418	0.3
179.68791	0.2
183.02898	1.1
183.06551	0.3
183.13771	0.5
189.01833	0.3
191.03383	0.3
193.04810	0.3
195.02936	0.6
205.05005	0.3
215.03339	0.4
229.14403	1.1
241.04770	0.2
242.05725	10.2
243.02811	0.5
243.06532	0.7
256.07211	0.4
260.08838	0.2
266.05673	0.5
267.15915	1.2
270.05234	10.4
280.07266	1.7
281.08102	1.7
282.05304	0.3
284.06665	1.1
285.07574	100.0
285.16663	3.1
286.04938	0.4
286.07922	1.2
292.07111	0.3
293.07996	0.6
294.05295	0.4
294.08838	0.7
295.09677	1.7
297.07574	28.7
298.08307	2.4
301.07071	0.8
308.06827	1.2
309.07562	2.2
309.11234	0.7
311.09131	0.7
312.06308	0.5
313.16663	0.3
315.08582	0.4
319.09625	0.6
321.07550	0.8
322.08380	0.9
323.05472	0.8
323.09076	5.8
325.07104	0.4
327.08633	18.3
328.09164	0.3
332.06604	0.3
335.09042	0.8
337.10660	4.6
344.19824	0.3
347.09250	1.2
351.08624	11.2
363.08661	3.0
365.10150	0.9
375.08636	2.0
381.09714	7.1
393.09631	5.9
411.10721	6.8
411.19226	0.3
429.11823	4.3
429.21017	0.3
447.12878	4.4
447.21939	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.129
Annotation	Sissotrine
Peak:m/z	Relative Intensity
53.03933	0.6
55.01873	0.3
56.08488	0.2
57.03446	1.2
58.29473	0.2
58.52730	0.2
61.02936	1.4
63.02433	0.2
69.03098	0.3
69.03439	4.6
71.01352	0.4
71.04987	0.4
73.02905	0.7
73.40139	0.2
81.03410	1.9
85.02911	11.8
87.04451	0.7
91.03938	0.4
91.05488	0.9
93.07066	0.3
94.43173	0.2
97.02892	2.7
98.21525	0.5
99.04446	1.0
101.02322	0.2
103.03980	0.3
109.02856	1.1
109.06529	0.2
109.19761	0.2
115.03934	0.2
119.04939	0.4
123.04405	0.3
127.03925	2.0
131.08640	0.2
133.06496	0.3
135.04431	0.3
141.06897	0.2
145.02846	0.9
145.04945	1.0
151.03883	0.2
153.06990	0.2
159.04420	0.6
163.03920	1.1
167.03424	3.5
168.05772	0.2
169.06458	0.3
179.03455	0.3
183.08078	0.3
186.06694	0.2
201.09081	0.4
211.07588	0.5
214.06261	0.6
215.93840	0.2
224.04568	0.4
226.06113	0.2
226.22499	0.2
229.08612	3.3
239.07066	0.4
242.05760	4.8
242.08235	0.2
252.04582	0.2
257.08133	1.9
267.06497	1.3
268.07278	0.4
269.08090	0.2
270.05219	2.9
283.05972	0.2
285.07587	100.0
286.07941	1.4
309.07599	1.0
327.08649	2.3
351.08652	0.5
447.12866	1.2
447.26874	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	446.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.5
55.01869	0.8
61.02930	0.6
64.45245	0.3
65.03950	0.3
65.65612	0.3
69.03432	1.1
69.07089	0.4
70.06596	0.9
71.53573	0.6
72.08188	0.4
75.05888	0.3
77.03907	0.4
79.05496	0.8
81.03417	1.2
81.07060	0.9
83.06092	0.4
85.02904	3.7
86.09693	1.0
87.00813	0.7
90.05553	0.5
91.05463	0.7
91.70376	0.4
93.07033	0.4
93.43339	0.3
95.04962	0.9
95.08629	0.5
97.02890	1.4
99.04429	0.5
103.05475	35.3
105.01855	1.0
105.07078	0.9
107.04967	1.0
107.08623	0.8
109.02881	1.5
111.04430	0.4
115.23869	0.3
119.04927	0.4
119.08618	0.4
123.04439	1.1
126.97685	0.4
127.03950	3.2
131.04936	100.0
132.05255	0.5
133.06516	1.0
133.10118	0.6
135.02946	0.4
136.07581	0.6
137.05983	1.5
145.04939	1.4
147.76991	0.4
159.02861	0.5
159.06567	0.4
163.07555	38.2
165.09135	0.6
176.56953	0.4
197.11745	1.4
198.12059	1.7
231.05042	0.5
270.05206	0.6
285.07556	3.3
310.17615	0.4
426.41797	0.5
446.20737	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33469	0.0
61.02903	0.0
65.56293	0.0
67.01857	0.1
68.99812	0.1
69.03416	0.0
70.57500	0.1
77.03976	0.0
79.05488	0.0
81.03404	0.0
85.02867	0.1
95.41165	0.0
96.63480	0.0
97.02862	0.0
103.05470	0.0
105.06946	0.0
106.82439	0.0
118.04160	0.0
128.38074	0.0
129.01759	0.0
129.71851	0.0
133.06493	1.1
135.04407	0.2
153.01817	1.1
158.11659	0.0
159.04427	0.2
171.02881	0.1
177.05507	0.1
187.07758	0.0
201.05637	0.0
213.05457	0.0
225.05383	0.0
239.07124	0.1
241.04997	0.1
242.05725	13.8
243.06221	0.2
254.05826	0.0
257.04300	0.0
257.08151	0.1
261.07339	0.0
268.07324	0.0
270.05222	11.8
271.05734	0.1
283.06009	0.0
284.07236	0.0
285.07559	100.0
286.07904	1.4
297.07425	0.0
327.08423	0.0
447.12817	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.368
Annotation	Swinhosterol B
Peak:m/z	Relative Intensity
53.03942	6.2
55.05517	35.7
57.07087	69.0
57.95273	5.5
58.41832	5.3
67.05505	14.8
69.07076	49.8
71.08646	36.9
71.27800	11.8
79.05489	16.2
81.07052	35.0
83.01357	15.1
83.08630	33.0
85.10192	20.4
91.05498	13.0
93.07038	18.3
95.08610	24.1
97.10185	12.0
99.75922	5.6
105.07030	16.1
107.08599	9.0
109.06542	61.9
109.10180	24.3
111.11729	14.2
119.08627	15.9
121.10171	9.7
123.08093	13.2
123.11711	11.1
131.08607	9.1
133.10165	11.9
133.64877	5.8
135.08058	13.4
135.11801	6.1
137.06004	100.0
137.13310	8.7
139.07581	25.5
143.08633	6.0
149.09624	13.4
149.13193	7.1
151.07565	42.9
161.09651	13.2
163.07635	9.3
163.11223	9.0
165.09131	25.9
175.11220	17.1
177.09128	17.5
177.12683	7.2
179.10651	8.1
189.12764	19.1
193.12286	16.9
203.14424	10.3
207.13808	10.1
216.46056	5.6
221.15408	8.0
235.17006	9.3
245.19017	8.3
249.18568	10.2
263.20129	6.7
277.21588	8.3
289.29050	6.3
385.34689	37.9
399.36362	26.1
403.35861	34.0
417.37253	44.8
427.35825	20.2
445.36728	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	445.3678
Annotation	Topsentisterol C4
Peak:m/z	Relative Intensity
53.03939	4.5
55.05520	31.8
57.07085	27.0
67.05512	31.1
68.15105	3.0
69.07076	49.1
71.04998	9.4
71.08645	23.6
71.54031	3.2
73.62355	3.4
79.05499	24.2
81.07061	73.7
83.08627	26.0
85.06561	9.2
85.10178	12.0
91.05479	17.8
93.07055	46.7
95.04948	5.6
95.08614	89.4
97.10172	22.8
104.64306	3.2
105.07026	52.7
107.08602	64.1
109.06516	6.3
109.10167	54.7
111.11736	16.5
113.09650	5.2
117.07040	8.8
117.15321	3.3
119.08585	47.4
121.10150	48.7
123.08066	5.1
123.11703	22.9
125.13294	5.4
128.06097	3.6
129.07028	3.8
131.08574	25.3
133.10141	45.1
135.08067	4.2
135.11714	32.0
137.05994	9.5
137.09621	6.5
137.13242	13.1
139.07544	5.7
143.08563	10.7
145.10144	34.6
147.11700	35.3
149.09631	7.0
149.13295	20.8
151.07687	3.9
151.14825	5.8
155.07053	11.7
157.10170	9.2
159.11694	29.5
161.13268	22.8
163.11165	3.7
163.14810	12.4
165.09131	25.0
171.11708	10.5
173.13246	11.1
175.11230	4.3
175.14816	13.1
177.09088	7.7
177.16370	5.4
179.10707	7.7
185.13322	10.6
187.14856	14.1
189.16365	18.5
191.10684	18.9
191.17982	4.6
193.12405	4.8
193.15941	3.5
199.14801	4.2
201.16464	10.0
203.17990	14.8
205.12222	7.5
207.13805	4.5
207.17534	6.3
213.16335	6.2
219.13864	5.3
227.17902	8.6
231.13966	5.1
231.21170	4.6
233.15425	5.9
245.15318	6.0
245.22658	4.6
247.24226	7.5
258.69690	3.6
261.25790	6.0
273.18530	7.4
279.03494	3.8
287.20084	8.4
341.32001	10.8
343.33636	30.8
361.51779	3.5
385.34686	12.9
387.16040	9.0
409.34546	10.5
415.15601	7.6
417.20804	5.0
427.35687	61.9
430.17841	13.1
445.19986	81.5
445.36844	100.0
446.20877	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	445.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	8.6
55.05271	3.0
55.05518	38.1
57.07084	35.5
60.52224	2.0
61.39150	1.8
64.57095	2.1
64.76269	2.2
65.79112	2.1
67.05520	20.7
69.07074	68.8
69.07467	3.6
70.64494	3.3
70.64851	4.9
71.08643	28.5
74.33272	2.3
79.05508	15.6
81.07065	65.4
83.04990	4.7
83.08627	44.4
85.10197	11.5
91.05478	8.5
93.07043	31.5
95.08612	44.4
97.06555	8.5
97.10180	30.4
105.07047	3.1
107.08598	22.3
109.06537	8.4
109.10162	24.0
111.08120	10.9
111.11726	15.9
119.08581	4.2
121.06536	8.2
121.10125	17.2
123.08071	9.0
123.11694	11.3
124.05196	4.7
125.05984	2.2
125.13271	7.9
133.10114	2.3
135.08043	3.4
135.11700	14.5
137.06029	8.5
137.13264	5.0
139.07545	100.0
139.11154	2.1
142.91937	2.1
147.11737	4.1
149.13274	17.9
151.07532	8.8
151.14877	2.8
161.09665	3.2
163.11220	3.4
163.14819	10.3
165.05513	15.6
165.09149	18.4
165.16455	2.3
167.14355	2.7
167.17924	2.5
170.75867	2.3
175.11247	3.1
177.16417	3.6
181.08646	2.8
189.12807	2.6
193.08658	13.3
203.10611	3.5
204.04095	2.0
205.12228	3.2
217.12225	2.3
219.13855	2.4
221.11790	3.6
233.22720	2.8
289.28925	16.9
307.29971	19.8
313.46466	2.4
399.87051	2.2
417.37201	7.0
427.35696	3.1
445.31384	3.4
445.36914	40.9
447.24722	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	445.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	2.8
55.01895	3.9
55.05514	38.4
55.62990	1.3
57.03444	26.1
57.06827	2.0
57.07083	22.6
67.05511	51.9
69.03446	3.4
69.07072	53.5
71.05006	5.2
71.08636	16.3
71.54553	2.5
75.04496	6.7
79.05498	23.3
81.03433	4.1
81.07061	75.2
83.04996	4.9
83.08626	42.7
85.06561	4.9
85.10196	9.7
91.05471	11.7
93.07047	34.5
95.04982	2.6
95.08612	69.3
97.02946	1.7
97.06549	17.3
97.10172	33.0
99.08130	2.2
101.06007	1.9
105.07059	8.3
107.08603	23.1
109.06616	1.7
109.10165	30.6
111.08101	10.4
111.11743	5.8
113.00053	1.5
113.06025	2.1
115.07559	3.0
117.07079	3.1
119.08581	7.5
121.10144	29.3
123.08086	1.8
123.11723	11.4
125.09651	10.3
125.15759	1.4
129.07002	2.4
129.09088	3.1
131.07095	6.1
131.08621	3.3
133.10201	6.1
135.11697	25.4
135.12674	1.6
137.13252	7.6
139.11172	8.1
143.08627	2.1
143.10698	1.7
145.10187	3.7
147.11752	4.8
149.13272	13.9
151.14838	1.9
153.12752	7.8
157.10194	1.9
157.12242	1.6
159.11723	1.5
161.13344	5.4
163.14857	9.1
165.12672	1.7
167.14439	4.1
169.02663	1.6
171.13841	1.8
173.13264	1.5
177.16437	4.6
179.14366	2.6
181.15976	3.1
191.17978	2.5
194.54350	1.8
195.17491	2.2
233.22632	12.2
251.23714	16.8
261.22281	6.0
279.23264	14.2
297.24518	3.1
315.25317	100.0
353.26947	41.3
359.03116	2.1
371.27985	51.6
371.32532	2.8
427.30676	25.4
445.31686	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	445.3678
Annotation	globosterol
Peak:m/z	Relative Intensity
53.03943	5.9
55.01876	8.5
55.05270	2.5
55.05519	34.1
57.07079	44.5
57.20006	1.9
65.03957	2.3
65.87392	1.9
67.05514	22.8
69.07073	71.5
69.53369	13.5
71.08640	31.8
79.05504	16.9
81.07063	54.4
83.04958	2.8
83.08147	3.3
83.08625	48.5
85.10202	14.8
91.05479	9.0
93.07044	30.5
95.04984	3.2
95.08614	49.3
97.06535	5.1
97.10178	35.7
97.56779	2.0
101.28964	2.4
105.07018	8.3
107.08609	28.8
109.06520	2.4
109.10156	23.4
111.08087	11.3
111.11734	21.7
119.08567	6.4
121.06523	5.2
121.10126	16.3
123.08069	7.1
123.11718	14.2
124.05222	3.9
125.06092	1.9
125.09655	3.0
125.13291	12.0
125.87240	1.9
131.08557	2.8
133.10144	4.9
135.08049	5.8
135.11679	11.9
137.05989	10.1
137.09564	3.1
137.13280	5.9
139.07555	100.0
139.14830	4.2
145.10170	3.9
147.08116	3.5
147.11705	7.0
149.09644	3.8
149.13226	13.3
151.07535	14.3
151.14893	3.1
153.09218	2.3
160.17342	2.0
161.09607	5.2
161.13275	2.8
163.07544	2.7
163.11229	4.4
163.14868	13.5
165.05508	19.1
165.09116	32.6
167.06998	2.6
171.11726	4.7
175.07489	3.9
175.11182	6.4
177.09145	7.5
177.16435	4.5
179.07069	5.0
179.10693	3.3
181.08571	4.9
189.09125	3.8
189.12808	5.7
191.10614	4.9
193.08572	14.0
202.09940	2.6
203.10686	5.0
203.14336	2.1
205.12355	3.5
205.19574	2.5
215.85660	2.1
217.12245	6.4
219.13934	2.5
219.21111	2.5
221.11696	4.3
231.13881	7.5
235.13220	4.0
247.57166	2.1
289.28848	16.8
305.21143	2.3
307.29999	22.4
319.22601	3.6
333.24469	2.2
354.94614	2.1
357.97769	2.4
381.34906	3.5
399.36234	6.8
409.34326	3.4
417.37189	6.8
427.35574	14.3
445.36823	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	445.295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02405	0.7
53.03940	2.8
55.01873	3.4
55.05513	9.5
57.03423	2.0
65.03933	1.9
67.05509	28.4
69.03437	1.4
69.07069	8.3
69.63329	3.7
69.63743	1.5
70.06599	0.7
71.04984	3.0
73.04764	0.8
79.05496	25.8
81.03413	3.1
81.07056	28.1
83.04966	2.1
83.08620	5.3
85.02933	0.7
85.06541	1.6
91.05479	36.3
93.07046	24.3
95.04984	4.2
95.08607	15.7
97.02871	1.6
97.06519	2.8
97.10175	2.3
98.21484	1.5
99.08115	1.2
103.05482	1.7
105.04543	1.1
105.07034	31.7
107.04945	3.2
107.08598	11.5
109.06516	3.3
109.10153	7.3
111.08104	1.6
113.00018	1.0
115.05447	1.9
115.62908	0.8
116.06230	1.2
117.07021	15.3
119.08575	18.0
119.09366	1.4
121.06521	3.3
121.10151	7.0
123.08095	2.2
123.11699	1.2
125.09618	1.6
128.06201	2.8
129.07016	10.8
131.08571	26.8
133.06488	2.6
133.10136	9.6
135.08096	2.1
135.11697	3.1
137.09572	1.6
139.72479	0.8
141.06999	3.8
142.07797	1.7
143.08566	11.8
145.06476	2.7
145.10123	14.8
147.08080	2.3
147.11696	3.6
149.09625	1.9
149.13298	1.3
151.11198	1.4
155.08580	4.6
157.10136	7.7
159.08066	1.1
159.11681	5.9
161.09576	1.4
161.13263	2.3
163.11186	1.5
165.09128	0.9
167.05565	0.9
167.08626	1.3
169.10141	5.1
171.08083	0.8
171.11694	5.3
173.13242	3.4
175.14764	1.0
179.10579	0.9
181.10152	2.6
183.11690	3.9
185.09624	1.0
185.13292	4.3
187.11128	1.1
187.14769	2.3
195.11720	2.3
197.13295	2.7
199.11108	0.7
199.14853	1.1
201.16391	0.8
209.13268	1.8
211.14847	2.6
215.14409	0.8
223.14912	1.6
229.15904	0.8
233.15422	1.4
243.17603	1.1
245.15344	0.8
247.16997	2.6
259.17017	1.5
261.18491	0.9
270.62775	0.7
273.18661	1.0
287.19751	0.9
307.24258	0.9
312.72635	0.7
325.25421	2.2
335.23618	4.5
343.26291	3.0
353.24759	11.9
359.03119	1.1
371.25861	12.7
389.26910	13.9
411.36826	0.8
427.28305	2.1
445.29559	100.0
446.29834	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	445.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
54.53976	0.6
55.01868	2.4
55.05272	0.8
55.05516	10.8
57.03425	2.6
57.07076	1.0
65.03934	2.2
67.05510	26.8
69.03426	1.8
69.07074	7.3
70.11440	2.4
70.18778	0.6
71.04997	1.5
76.37392	0.7
77.03876	0.8
79.05501	22.7
81.03407	2.2
81.06586	1.3
81.07066	26.4
83.04982	1.6
83.08627	4.2
85.06538	1.3
91.05482	37.2
93.07050	21.3
95.04447	0.6
95.04956	3.7
95.08611	17.0
97.06546	3.7
97.10188	1.8
99.08105	1.0
103.05453	1.1
105.03403	13.2
105.04481	1.3
105.07040	29.4
107.04979	2.8
107.08598	10.6
109.06512	4.0
109.10165	6.7
111.08071	1.5
113.00024	8.5
115.05466	1.7
117.07030	18.6
119.08588	21.2
121.06498	2.3
121.10166	7.9
123.08094	2.1
123.11758	1.6
125.09676	0.7
128.06221	2.9
129.07025	10.2
130.07794	0.9
131.08580	24.9
133.06516	2.1
133.10141	9.8
134.09641	1.6
135.08040	2.0
135.10808	0.6
135.11638	3.6
137.09671	1.2
141.06990	3.9
142.07784	1.3
143.08583	10.2
145.06496	2.2
145.10132	13.8
147.08067	2.8
147.11736	6.0
149.09605	1.8
149.13283	1.5
155.08543	4.9
156.09314	0.8
157.10143	7.3
159.08095	1.5
159.11711	6.9
161.09711	1.7
161.13243	3.5
163.11206	1.1
167.08531	2.4
169.02625	2.1
169.10135	4.4
171.11671	5.5
173.09685	1.4
173.13284	2.9
175.11150	1.3
175.14853	1.6
177.09178	1.1
177.12837	1.3
179.10583	0.7
179.59174	0.7
181.10147	2.1
183.11691	3.2
183.78529	0.7
185.09703	1.0
185.13278	3.9
187.03650	1.1
187.11285	1.1
187.14836	1.7
194.11798	4.8
195.11722	1.8
197.13362	3.2
199.14864	2.4
201.12793	1.6
201.16364	1.0
203.14417	0.9
209.13237	1.2
209.66069	0.7
211.14883	1.9
213.12798	0.8
213.16364	1.4
215.14391	0.8
217.16019	1.0
221.15607	0.7
223.14790	2.0
224.10730	2.6
225.16444	1.5
227.14439	0.9
229.15570	0.8
231.17339	0.9
233.15375	1.0
237.16388	1.0
241.15878	1.6
241.19580	2.4
245.15398	1.0
247.17015	2.1
247.99713	0.7
259.16989	1.0
259.20621	2.8
261.18451	1.2
273.18359	1.1
275.20068	0.9
317.23004	0.7
325.25275	1.6
333.24152	3.3
335.23709	3.6
343.26407	3.2
353.24811	11.5
359.02734	0.7
371.25842	10.3
389.26886	12.7
427.22903	0.8
427.28546	2.5
445.29562	100.0
446.29971	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	445.2953
Annotation	Asparacosin A
Peak:m/z	Relative Intensity
51.02378	0.5
53.03942	1.9
55.01866	1.9
55.05515	10.0
57.03429	1.6
57.07076	1.2
59.04995	0.5
65.03938	2.0
67.05511	24.8
69.03430	1.5
69.07072	8.3
71.04992	1.6
71.26711	0.9
77.03920	0.7
79.05499	21.7
81.03426	1.4
81.07064	22.6
83.04987	1.8
83.08619	4.4
83.15196	0.5
85.02908	0.6
85.06555	1.1
91.05486	32.5
91.76292	0.5
93.07050	20.7
95.04958	3.9
95.08614	15.9
97.06522	2.1
97.10175	1.7
99.08122	0.5
103.05488	1.3
105.07037	30.6
107.04967	2.9
107.08596	10.1
109.06528	2.4
109.10173	5.8
111.08158	0.7
115.05470	2.4
116.06229	0.6
117.07029	14.2
119.08591	17.5
121.06510	3.0
121.10141	7.1
123.08047	1.5
123.11736	1.2
125.09630	1.2
128.06238	2.5
129.07027	9.7
130.07773	1.2
131.07596	1.1
131.08578	22.5
131.70230	0.6
133.06503	1.7
133.10143	10.1
135.08040	2.5
135.11705	3.0
137.05975	0.7
137.09615	1.4
141.07007	3.9
142.07813	1.6
143.08583	10.4
145.06509	1.8
145.10135	13.4
147.08028	2.7
147.11691	3.0
149.09622	1.4
149.13274	1.0
154.07721	0.8
155.08551	5.4
157.10138	7.5
159.08067	1.5
159.11688	5.4
161.09711	1.2
161.13260	1.4
163.11224	1.1
165.07022	0.6
167.08624	2.0
169.10188	4.2
171.11664	4.1
173.09613	1.4
173.11937	0.6
173.13213	2.9
175.11188	1.2
177.12801	0.9
181.10158	2.6
183.11720	2.5
185.09695	0.8
185.13249	3.1
187.11179	0.9
187.14848	1.8
195.11708	1.9
197.13272	3.2
199.14821	1.8
201.12825	0.8
201.16397	1.3
207.13823	0.7
209.13303	2.2
211.14850	1.6
213.16452	1.4
223.14774	1.4
233.15392	1.0
237.16411	1.0
239.18105	0.7
241.15956	0.9
245.15417	0.8
247.17001	2.0
255.17560	1.1
259.17004	1.3
261.18585	1.3
271.17490	0.6
273.18494	0.9
281.89066	0.6
325.25443	3.0
335.23758	3.3
343.26343	3.0
353.24744	9.8
371.25818	10.5
389.26865	13.4
427.28571	3.3
445.29529	100.0
446.29898	1.7
468.45621	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.7
53.03937	2.7
55.01864	2.6
55.05276	0.9
55.05518	12.0
57.03440	3.1
57.07072	1.0
61.03548	0.6
65.03931	2.1
66.40450	0.6
67.05511	30.4
69.03426	1.2
69.07078	10.7
71.04987	2.6
71.53361	0.9
71.53829	0.8
79.05499	23.6
81.03408	1.5
81.07062	29.9
83.04972	2.3
83.08627	6.9
85.06544	1.9
91.05486	37.3
93.06479	1.4
93.07053	23.0
93.07636	1.4
94.16340	0.7
95.04980	3.3
95.08614	19.6
97.06540	3.8
97.10192	3.7
97.10688	0.7
99.08064	1.0
103.05481	1.6
105.04550	0.9
105.07037	33.8
107.05000	3.6
107.08604	12.0
109.06514	4.3
109.10159	9.1
111.08082	1.6
115.05450	2.0
117.07026	17.4
119.04942	6.6
119.08591	20.4
121.06507	2.7
121.10146	7.8
123.08064	1.9
123.11722	1.9
125.09628	1.7
125.54126	0.6
128.06207	3.6
129.07018	12.2
131.08578	24.2
133.06482	1.9
133.10149	10.9
135.08049	2.2
135.11705	2.8
137.09660	0.8
141.07002	4.6
142.07782	1.6
143.08575	12.2
144.09346	0.9
145.06490	1.8
145.10126	15.0
147.04422	35.9
147.08078	2.1
147.11676	4.2
149.09610	1.4
149.13260	1.3
151.11145	1.4
155.08604	5.9
157.10152	8.5
159.08110	1.5
159.11726	5.4
161.09608	2.0
161.13284	1.5
165.05498	7.2
167.08565	2.2
168.09256	0.7
169.10129	5.8
171.11688	5.4
173.13286	3.5
175.11093	0.9
181.10159	3.2
181.12221	0.7
182.10838	0.7
183.11743	3.3
185.09654	0.7
185.13237	3.4
187.11180	1.0
187.14897	1.6
189.11238	0.7
189.16391	2.1
195.11674	2.7
197.13240	4.4
199.11203	0.8
199.14813	2.4
201.12706	0.8
201.16454	0.7
209.13258	1.8
211.14801	2.3
213.16479	1.2
215.14450	0.9
217.15932	1.1
223.14894	2.1
225.16519	1.3
227.14394	0.8
229.15903	1.1
233.15346	1.1
237.16328	1.5
239.18069	1.2
241.15932	1.5
245.15591	0.7
247.17021	2.4
255.17453	0.8
259.16937	1.4
261.18564	1.6
271.16946	0.6
273.18576	1.6
281.21127	4.7
325.25369	2.0
335.23593	4.2
343.26385	4.3
353.24780	12.6
359.02625	1.0
371.25812	12.7
389.26907	13.4
427.28546	2.2
445.29523	100.0
446.30060	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	445.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.0
55.01860	2.5
55.05520	11.1
57.03445	15.5
59.05004	1.7
65.03965	1.9
67.05509	44.9
69.03439	20.1
69.07076	7.7
69.80303	8.0
71.05002	100.0
73.04752	1.5
74.80437	1.6
79.05493	16.2
81.03426	25.3
81.07065	62.2
83.04996	10.2
83.08603	5.3
85.02908	13.4
85.06553	8.9
91.05483	34.0
93.07047	16.9
95.04990	3.7
95.08606	11.6
97.02908	30.0
97.06529	7.2
99.04450	5.6
103.03970	2.5
105.07043	21.5
107.04991	1.8
107.08608	17.4
109.02884	6.2
109.06525	3.6
109.10156	13.2
111.04459	3.0
117.07008	2.8
119.08631	3.7
121.10158	4.4
123.11707	17.7
127.03929	13.8
129.05508	4.1
129.07030	2.0
131.08572	5.4
133.10149	30.3
135.11688	4.5
147.11696	2.6
149.09598	1.7
149.13295	5.4
151.11203	18.6
153.12764	3.7
159.11711	5.8
161.13264	2.3
169.12282	5.7
173.04491	5.6
177.12807	5.5
179.14342	2.7
183.06599	1.9
183.13805	8.7
187.13327	20.7
195.02133	1.4
195.13841	4.8
197.15416	3.6
201.07632	2.4
201.14888	19.0
213.14911	3.0
231.04919	1.5
241.18086	2.2
243.15968	6.0
257.17505	52.7
269.17532	7.9
270.69528	1.5
271.15094	1.5
283.18970	2.1
301.20102	11.8
339.18164	3.0
395.20718	5.1
413.21820	9.0
445.24408	80.3
448.91696	1.5
462.25009	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01866	1.8
55.05513	9.0
57.03441	13.3
65.03932	2.8
67.05509	43.1
69.03432	17.2
69.07070	5.7
70.92928	2.5
71.04998	100.0
78.58678	1.5
79.05492	16.5
79.14397	1.3
81.03423	22.4
81.07060	57.7
83.04981	11.1
83.08615	6.5
83.91676	1.5
85.02911	8.3
85.06547	8.5
86.09712	10.0
87.04476	2.1
91.05486	37.4
93.07053	16.4
95.04984	3.8
95.08588	9.0
95.68714	1.5
97.02283	2.8
97.02891	30.3
97.06539	6.1
99.04449	5.2
99.08119	1.7
103.03940	3.0
105.07044	20.3
107.08596	18.0
109.02872	5.7
109.06538	3.4
109.10164	9.9
111.04439	4.2
111.08106	3.3
112.03973	2.0
113.06018	1.5
117.07074	3.3
119.08598	2.3
121.10162	4.0
123.11715	13.0
127.03896	8.2
129.05489	3.0
131.08595	3.9
131.77553	1.5
133.10138	30.2
135.11736	4.4
146.11769	2.0
147.11635	3.0
149.13264	4.9
151.11174	21.4
159.11703	7.7
169.12241	4.5
173.04446	6.6
177.12753	6.0
183.06593	2.1
183.13844	8.9
187.13309	22.5
193.12183	1.8
195.13805	6.2
197.08121	2.7
201.07468	1.5
201.14848	23.9
203.40178	1.5
213.14876	1.9
239.16328	1.5
243.15894	3.9
257.17490	67.5
269.17508	7.1
283.09720	1.6
283.19034	3.4
297.17065	1.7
301.20154	11.8
339.18466	1.6
346.17599	1.5
395.20596	3.3
413.21848	9.5
445.24365	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.6
55.05523	5.9
57.03442	12.8
57.07067	2.3
58.86198	1.0
58.94426	0.9
63.70592	0.8
67.05507	20.5
69.03438	1.0
69.07072	6.2
69.30556	0.9
69.54163	3.6
69.54580	2.9
71.04995	2.3
73.02912	1.0
79.05056	2.1
79.05496	20.2
81.03433	3.6
81.07061	22.4
83.04984	1.8
83.08625	3.6
85.06543	2.0
86.67799	1.1
91.05476	24.8
93.06473	1.9
93.07043	25.8
95.04953	2.5
95.08611	16.6
97.02882	1.2
97.06537	1.8
97.10194	1.4
98.20781	1.9
99.08072	1.5
103.03918	1.4
105.07033	24.5
107.08603	15.3
109.06530	0.9
109.10164	6.1
111.08069	1.9
113.00021	62.9
117.07011	7.4
119.08583	25.8
121.10135	13.7
123.11677	1.5
129.05484	4.3
129.06987	5.9
131.08571	15.3
133.10141	19.7
135.11690	13.6
143.08553	5.9
145.10126	11.6
147.11690	17.0
149.13297	7.4
155.07014	2.3
157.10153	5.1
159.11693	10.3
161.09668	1.7
161.13266	21.5
163.14854	4.5
169.02602	8.4
171.11723	9.8
173.13287	9.0
175.11118	1.4
175.14832	12.6
177.12839	1.5
177.76263	1.3
185.13249	7.6
187.03719	12.3
187.14795	2.9
189.12735	1.4
189.16359	1.5
191.17848	1.1
199.14853	3.4
213.16364	1.8
215.17957	4.4
217.19554	7.0
231.20998	5.5
241.19527	35.7
242.58398	1.0
243.21124	3.5
254.28406	1.0
259.20584	34.8
275.20126	1.1
277.21658	2.6
289.21814	1.1
315.23172	4.4
324.15369	1.2
333.24231	100.0
334.24466	1.8
371.26114	1.1
427.22220	1.2
445.20255	1.5
445.29916	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	445.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01868	2.3
55.05513	6.6
57.03443	5.5
57.07079	1.9
67.05175	1.2
67.05511	19.2
69.03440	1.8
69.07073	6.1
70.06594	0.9
71.04988	2.5
75.04477	1.1
79.05067	1.3
79.05502	19.7
81.03412	3.3
81.07065	19.8
83.04974	1.3
83.08611	3.1
85.06529	1.6
91.05478	25.0
93.06475	1.4
93.07047	20.8
94.11650	0.8
95.04977	3.0
95.08051	1.2
95.08609	13.5
97.02928	1.2
97.06519	1.8
97.10173	1.2
103.03919	1.2
103.05482	1.1
105.07040	25.5
107.08606	15.6
109.06539	1.8
109.10193	4.9
111.08093	0.9
113.00027	100.0
113.55743	0.8
117.07027	10.0
119.08593	24.1
121.06516	0.9
121.10145	9.7
123.08060	1.7
123.11671	1.2
127.03916	1.1
128.06236	1.5
129.05463	2.3
129.07008	7.6
130.22325	0.9
131.08569	15.6
133.06517	1.0
133.10143	19.8
135.11722	9.1
141.06973	1.5
143.08588	8.2
145.10127	12.5
147.08105	1.7
147.11694	15.7
149.09608	1.1
149.13260	6.2
151.11118	1.2
155.07027	0.9
155.08594	2.0
155.43074	0.9
156.45587	0.9
157.10156	6.4
159.11694	9.7
161.09674	1.0
161.13283	19.8
163.11198	1.8
163.14804	2.5
167.05685	1.3
169.02640	21.7
169.10144	2.0
171.11699	10.7
173.04456	1.5
173.13277	8.1
175.11182	1.6
175.14850	14.3
177.12740	2.5
181.10085	1.3
183.11691	1.9
185.13277	6.2
187.03706	15.4
187.14856	3.8
189.12808	1.5
192.50052	1.0
199.14896	4.4
209.11697	1.0
213.16417	1.8
215.17960	2.8
217.15845	0.9
217.19531	5.3
223.03658	1.1
227.12685	1.4
231.21112	5.0
241.19537	29.9
243.21004	1.8
259.20596	40.8
275.19986	1.5
315.23230	4.1
333.24258	44.2
335.23825	1.1
353.24789	3.9
371.25854	1.0
427.22656	9.7
427.28159	1.4
445.29675	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	445.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19568	1.4
53.03950	9.2
55.01874	9.6
55.05266	1.5
55.05514	20.3
55.08678	1.4
57.03444	19.1
58.32663	1.7
59.04992	1.8
67.05190	1.5
67.05511	29.9
69.03434	57.0
69.07059	6.6
71.01338	6.8
71.04993	12.3
71.18948	3.1
73.02909	5.3
74.48821	1.5
79.05074	1.5
79.05499	23.5
79.27953	1.4
80.06779	1.4
80.36852	1.4
81.03423	58.4
81.07065	23.9
82.38931	1.7
83.01338	3.2
83.04988	25.4
83.08614	8.5
85.02902	23.2
87.04480	3.3
91.05457	13.2
93.07050	26.7
95.04958	6.8
95.08633	11.8
97.02291	3.0
97.02899	54.9
97.06532	7.9
97.10151	10.4
98.40313	1.5
99.04470	13.3
101.02367	2.9
103.03956	4.8
105.07000	9.2
107.04951	12.3
107.08609	18.8
109.02881	17.9
109.06503	4.0
109.10158	15.4
111.04446	12.8
111.08099	4.7
117.07011	9.4
119.08591	10.4
121.06474	3.0
121.10149	9.2
123.04448	4.2
123.08057	3.8
125.06012	2.2
125.09651	11.9
127.03917	30.4
129.05489	4.3
129.06999	7.3
131.08571	13.3
133.10129	6.9
135.08066	2.1
135.11679	18.4
137.06026	1.4
137.09636	3.1
139.07585	1.7
139.11099	1.6
143.08565	4.6
143.10666	2.4
145.04997	4.5
145.06480	1.6
145.10126	17.2
147.08044	4.9
147.11693	1.7
147.68390	1.7
149.09616	2.9
153.12741	18.3
155.08594	5.0
155.10637	1.7
157.10052	2.9
159.11723	1.6
161.09662	2.5
163.11195	32.3
167.05630	1.7
171.11658	2.0
173.04497	19.3
173.09634	6.3
173.11725	4.3
181.10637	1.7
181.12254	14.3
183.06543	5.5
189.11230	5.5
191.10696	13.2
201.07573	2.7
209.11746	45.8
209.13651	2.8
210.06334	1.6
227.12785	47.0
229.14336	5.3
237.16141	1.8
245.13821	2.8
257.13846	5.5
265.14343	3.1
267.09100	2.5
283.15402	15.1
285.09906	1.8
291.37631	1.4
301.16547	9.6
315.11038	4.5
335.23679	2.4
337.16553	1.9
349.16656	1.8
353.15903	6.3
353.24847	2.5
371.17038	2.0
371.25998	2.5
409.18689	4.0
420.17633	2.9
427.19653	9.3
427.28830	2.3
438.17041	1.6
445.20676	100.0
445.30020	18.7
446.20908	2.9
462.68082	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	445.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01867	2.1
55.05498	0.5
57.03174	0.3
57.03425	1.5
61.02937	1.5
64.71401	0.4
67.05522	0.8
68.99780	0.9
69.03080	0.5
69.03432	7.9
69.07050	0.6
70.06584	0.7
71.04989	1.0
71.53749	0.5
73.02905	1.4
73.04736	0.5
79.05489	1.9
81.03420	7.5
81.07069	1.9
85.02909	16.7
85.06545	4.1
86.09692	1.0
87.00832	6.4
91.03949	0.5
91.05456	2.7
93.07050	4.6
95.04955	0.5
95.08597	1.2
97.02905	5.4
97.06507	0.4
99.04462	2.6
105.01862	4.5
105.07033	5.2
107.04971	0.4
107.08597	23.3
109.02882	8.8
109.06525	0.8
109.10144	1.3
117.01842	0.7
117.07012	0.8
119.04969	0.3
119.08593	3.7
120.54920	0.3
121.02843	0.4
121.06511	0.9
121.10133	3.9
122.04494	0.5
123.08078	0.6
125.09612	0.4
126.23490	0.3
127.03918	11.8
129.01859	1.0
131.08562	0.9
133.10133	13.5
135.08070	0.6
135.11716	2.5
137.05957	1.2
137.09592	0.8
139.07584	1.0
140.58099	0.3
143.08577	0.6
145.04961	3.6
145.10081	0.6
147.02931	0.6
147.04196	0.3
148.08887	0.3
149.09627	2.6
151.07542	0.8
151.11200	5.7
159.02916	3.1
161.09615	4.8
163.11218	1.6
167.10681	9.0
179.07080	0.6
179.10677	19.9
181.12254	0.8
189.03940	0.4
191.10739	0.6
197.11739	100.0
198.12019	0.5
209.11848	0.4
213.03943	0.9
227.12759	1.0
231.05022	3.4
236.57495	0.4
247.17021	1.0
265.18039	1.6
283.15399	0.5
359.02908	0.5
427.15887	0.6
445.17770	2.0
445.24524	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.2
53.97365	1.7
55.05516	2.7
57.03445	18.2
61.02921	4.7
69.69992	10.0
70.06590	5.7
71.04997	5.5
73.04756	5.8
81.03414	3.1
81.07037	2.6
83.04990	2.6
85.02896	8.4
86.09704	5.1
91.05447	4.7
93.07062	3.0
95.04963	3.0
99.04473	14.3
103.03944	11.7
103.05466	5.1
107.04976	3.7
109.02898	13.0
113.09660	3.6
117.03380	2.6
117.05504	46.9
121.06511	12.8
123.04425	4.8
124.07592	6.2
127.03935	11.3
131.04951	6.6
137.06046	9.0
140.04691	2.8
145.02890	2.7
147.04514	2.5
149.05981	17.8
151.03862	3.0
153.04091	34.6
154.02522	3.8
157.08597	2.5
159.04413	4.3
163.03911	2.6
165.05450	3.7
167.07045	100.0
170.24640	1.8
177.05478	46.4
191.07057	2.9
197.08275	4.7
201.07538	13.4
205.08620	2.4
209.08109	29.7
216.07927	3.1
219.08646	7.6
221.08138	2.2
225.07608	6.4
227.09157	72.5
233.08090	5.1
239.09030	1.9
265.10730	10.7
265.18103	1.8
267.01752	1.7
283.14139	15.1
301.12866	17.8
317.18698	2.0
325.12738	9.1
359.02795	4.9
393.04376	1.9
409.14404	2.0
445.18649	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	445.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.2
53.97365	1.7
55.05516	2.7
57.03445	18.2
61.02921	4.7
69.69992	10.0
70.06590	5.7
71.04997	5.5
73.04756	5.8
81.03414	3.1
81.07037	2.6
83.04990	2.6
85.02896	8.4
86.09704	5.1
91.05447	4.7
93.07062	3.0
95.04963	3.0
99.04473	14.3
103.03944	11.7
103.05466	5.1
107.04976	3.7
109.02898	13.0
113.09660	3.6
117.03380	2.6
117.05504	46.9
121.06511	12.8
123.04425	4.8
124.07592	6.2
127.03935	11.3
131.04951	6.6
137.06046	9.0
140.04691	2.8
145.02890	2.7
147.04514	2.5
149.05981	17.8
151.03862	3.0
153.04091	34.6
154.02522	3.8
157.08597	2.5
159.04413	4.3
163.03911	2.6
165.05450	3.7
167.07045	100.0
170.24640	1.8
177.05478	46.4
191.07057	2.9
197.08275	4.7
201.07538	13.4
205.08620	2.4
209.08109	29.7
216.07927	3.1
219.08646	7.6
221.08138	2.2
225.07608	6.4
227.09157	72.5
233.08090	5.1
239.09030	1.9
265.10730	10.7
265.18103	1.8
267.01752	1.7
283.14139	15.1
301.12866	17.8
317.18698	2.0
325.12738	9.1
359.02795	4.9
393.04376	1.9
409.14404	2.0
445.18649	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	445.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55826	0.4
55.05510	0.6
57.20708	0.4
67.05491	0.6
69.03412	1.0
69.07053	1.0
70.06591	4.4
70.95862	1.0
72.08136	0.6
72.93781	1.8
73.02943	0.6
73.04749	1.0
79.05498	0.9
81.03416	0.9
83.04903	0.5
85.02924	2.1
85.06544	0.6
86.09711	4.9
88.21743	0.5
89.03918	5.9
91.05442	1.2
93.07035	1.1
95.01313	1.3
97.02889	1.1
103.05477	0.5
105.07040	1.1
109.06550	0.6
113.02375	0.7
117.03380	16.7
119.08613	0.5
121.02869	1.1
121.06540	0.6
121.10149	0.6
122.58661	0.5
126.98487	0.4
128.07076	0.6
131.04930	1.1
131.08569	0.6
132.95857	1.0
134.03584	1.0
135.04462	1.0
136.38768	0.4
137.05984	0.6
140.96135	0.5
141.01828	1.9
145.02850	47.5
147.04407	0.5
149.05951	6.3
151.11182	1.0
154.97913	1.1
159.11761	0.5
164.99982	0.6
166.97943	0.7
172.99017	0.5
174.96867	0.5
177.05476	100.0
178.05873	0.8
178.97862	0.7
180.99484	0.9
183.14882	1.1
184.74887	0.4
186.05460	0.6
196.98952	0.6
198.07494	0.5
209.11771	0.6
211.14381	0.5
223.04202	4.5
225.04347	0.6
243.13445	0.5
253.05252	0.8
265.05215	3.2
265.14359	1.0
283.06268	6.3
285.69781	0.4
286.17810	0.5
296.68228	0.5
301.07339	5.0
307.06247	0.5
325.07278	3.4
337.07416	0.5
343.08188	2.3
353.08673	2.7
355.08328	1.1
359.02585	0.8
445.11508	5.8
445.16891	0.7
445.20728	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88087	2.8
55.01886	5.1
56.96563	9.3
57.03437	10.6
61.02934	6.7
68.91772	3.1
69.03420	23.9
69.61737	4.9
69.62137	14.8
71.04970	4.7
73.02914	9.7
81.03426	9.1
83.47186	2.8
85.02910	67.1
86.06071	25.7
87.04461	7.1
97.02895	25.5
98.97589	38.5
99.04506	3.9
102.96868	8.3
104.07146	3.8
109.02875	5.3
109.76231	3.5
110.97591	5.4
112.99161	9.9
116.07072	4.5
116.98632	14.8
119.01931	3.9
127.03927	29.7
128.98581	6.9
131.00192	12.5
132.06564	4.0
143.00203	5.7
143.01900	12.6
144.01912	3.6
144.10254	3.5
145.01665	3.9
145.04950	19.7
146.99602	5.0
155.01953	7.5
158.99599	8.1
161.01254	4.4
161.02945	6.3
163.04395	4.4
170.99606	3.3
171.04228	4.5
173.03008	9.7
173.09224	6.4
174.02992	5.6
174.04448	3.7
178.04875	8.1
179.02264	3.9
182.03438	4.0
183.05159	4.0
185.02945	7.2
185.50829	3.3
189.00758	4.7
191.02242	4.4
192.05640	4.7
201.00691	4.3
201.08713	5.4
203.04094	9.0
205.00037	3.9
205.03749	3.9
207.05257	4.0
209.03305	6.0
219.01768	10.0
223.01170	4.8
223.04849	10.3
242.58157	4.7
243.01840	4.1
245.05159	18.0
245.11385	12.3
251.04398	27.9
251.06778	3.6
252.06786	8.9
259.07651	10.6
263.06296	5.5
264.07620	8.1
265.02246	5.7
265.05966	12.0
269.05356	6.8
272.06583	5.1
273.08142	12.9
273.58328	7.5
281.07159	9.2
283.03253	5.5
293.06757	3.4
384.58340	3.4
401.20099	6.2
425.11353	3.8
445.11200	100.0
445.17627	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	443.298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84554	0.3
55.01874	0.4
55.05511	0.7
60.05654	5.7
63.71309	0.3
64.71925	0.3
67.05502	0.7
69.03431	0.7
69.07072	8.0
69.45622	2.0
70.06597	20.2
71.02262	0.3
71.05013	0.6
72.08157	1.5
79.05491	0.8
81.03454	0.5
81.07068	0.9
85.02911	1.2
86.09712	98.5
91.05499	0.7
93.07029	0.4
95.08560	0.6
97.02891	0.4
97.07695	0.5
105.07056	0.7
106.28637	0.3
107.04974	0.5
112.08748	3.2
113.07155	0.5
114.10283	0.4
115.08700	4.1
116.07108	8.5
118.79601	0.3
119.08642	0.5
120.08071	0.4
121.03990	2.6
121.06478	0.4
123.04458	0.4
127.03977	0.5
128.10732	16.9
130.09749	2.4
133.09761	0.8
137.09631	0.4
147.04485	0.5
150.14308	0.4
151.41048	0.4
156.10205	1.2
156.11339	9.1
157.10887	0.6
158.09258	6.7
173.09654	0.5
175.11931	18.0
187.11211	0.3
195.14043	0.4
199.18088	0.5
219.11343	2.8
224.28224	0.4
226.15656	0.5
228.17137	0.6
229.15471	0.5
234.99022	0.9
237.02135	0.5
245.15552	0.4
258.30750	0.4
263.16479	0.7
269.18683	1.0
271.17636	7.1
275.29355	0.3
288.20377	1.1
333.13428	0.4
383.08072	1.0
425.28903	0.8
443.29810	100.0
444.30026	1.6
453.05856	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2794
Annotation	Dysolenticin C
Peak:m/z	Relative Intensity
53.03944	2.3
55.01871	2.4
55.05516	11.0
57.03448	3.4
58.32715	0.7
65.03937	1.6
67.05510	20.7
69.03437	1.3
69.07072	8.6
69.40891	5.3
71.05022	1.4
79.05497	17.7
81.03426	0.9
81.07062	17.3
83.04986	1.5
83.08617	5.4
85.06547	1.2
91.05492	23.7
93.06475	1.3
93.07047	14.6
93.07632	1.1
95.04959	2.3
95.08624	12.6
95.09223	0.5
95.54947	0.8
97.06564	3.4
97.10176	2.0
98.21496	0.9
99.08063	0.9
103.05495	1.8
105.07040	18.1
107.04945	1.9
107.08607	7.5
109.06538	2.8
109.10169	5.2
109.24039	0.6
111.08092	1.2
113.00019	4.8
115.05496	3.8
117.07029	14.6
118.05441	0.6
119.04935	1.0
119.08590	11.1
121.06517	4.0
121.10142	4.8
123.08037	1.6
125.09651	1.6
128.06213	5.8
129.07018	21.3
130.07779	0.9
131.04906	0.9
131.08577	20.0
131.09535	1.4
133.06488	3.2
133.10139	5.8
135.04349	0.7
135.08069	2.4
135.11690	1.9
137.09627	2.0
141.07004	8.3
142.07811	3.3
143.08568	16.0
145.06488	4.3
145.10129	11.0
147.08066	3.0
147.11700	2.7
149.09659	2.6
149.13196	1.1
153.07014	1.5
154.07799	1.5
154.98801	0.6
155.08562	14.2
157.06534	1.8
157.10144	7.8
159.08083	3.1
159.11714	5.4
161.09639	2.6
161.13255	1.7
163.11192	1.4
165.07091	1.4
165.09091	1.5
166.07837	1.2
167.08597	6.2
168.09357	1.3
169.02695	1.1
169.10130	8.2
171.08090	2.4
171.11739	6.2
173.09634	1.8
173.13306	1.8
175.11209	1.4
177.12854	0.8
179.08568	2.2
181.10141	6.4
182.10880	1.1
183.11673	5.3
185.09622	1.8
185.13271	4.3
187.11217	1.5
193.10187	3.0
194.10786	1.0
195.11742	5.0
197.09602	0.9
197.13255	3.4
199.11237	1.7
199.14870	1.6
201.12738	1.7
203.14389	1.0
206.10945	1.1
207.11647	1.9
207.13652	0.7
209.13303	5.5
211.11240	2.1
211.14850	2.8
213.12813	3.8
215.14209	0.7
217.15964	0.8
221.13245	3.8
223.14888	2.4
225.12756	1.7
225.16441	1.2
227.14359	1.9
229.15962	0.9
235.14914	3.7
237.12563	0.8
239.14317	2.3
239.18094	1.0
241.15921	1.3
245.15370	1.3
249.16473	1.5
251.14383	0.9
253.15967	2.1
257.15424	1.3
257.19119	1.3
271.16974	1.8
275.16397	0.7
275.20120	1.3
285.18542	0.9
305.22601	0.8
323.23807	2.8
331.19330	0.7
333.22101	5.8
341.24820	3.6
351.23206	19.1
369.24258	20.9
379.26202	1.2
387.25351	10.2
407.25961	1.2
425.26743	4.7
443.27975	100.0
444.28061	1.9
446.23190	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58101	2.8
53.03939	16.1
55.01871	15.9
55.05522	30.4
56.59127	3.2
57.03436	21.0
59.05024	3.8
61.02934	40.2
65.03939	5.1
67.05510	51.4
68.99788	4.4
69.03438	52.8
69.07071	43.8
69.43893	23.5
71.01334	3.5
71.04991	12.3
73.02918	15.8
73.06559	3.3
79.05502	82.5
79.05962	4.3
81.03426	41.8
81.07065	70.1
83.04979	15.0
83.08614	18.1
84.93958	3.8
85.02911	73.9
85.06545	7.8
87.00851	18.4
87.89488	3.7
91.03951	14.9
91.05492	61.9
93.07052	96.4
95.04974	24.3
95.06097	4.1
95.08614	100.0
97.02909	45.7
97.06525	7.6
97.10175	4.4
98.20817	6.6
99.04448	17.6
99.08105	17.8
101.02364	11.0
103.03915	4.2
105.01862	11.9
105.04543	3.4
105.07040	71.4
107.04962	13.5
107.08604	55.9
109.02863	19.4
109.06516	10.4
109.10164	24.8
111.04471	9.6
111.08086	12.8
111.11731	18.2
113.09642	5.4
115.03931	6.4
115.05459	4.5
117.07031	20.0
119.08595	59.0
121.06542	8.1
121.10143	48.3
123.04431	10.1
123.08052	8.0
123.11693	22.4
125.09589	5.3
127.03933	35.6
127.07555	3.7
128.06209	6.8
129.01811	6.1
129.07028	28.9
131.08597	27.9
133.06480	7.4
133.10124	29.0
135.08055	8.5
135.11685	21.5
137.09648	3.9
137.13269	6.5
141.06982	4.0
143.08553	19.5
144.66481	3.6
145.04939	11.8
145.06479	6.0
145.10126	35.0
146.46371	3.4
147.08072	9.3
147.11700	46.9
149.09637	5.2
149.13255	12.8
151.07591	3.5
155.08488	7.1
157.10178	13.8
159.02907	6.0
159.08064	4.5
159.11693	23.9
161.09619	7.9
161.13261	29.1
163.07587	4.9
163.11186	5.1
163.14821	30.0
165.09161	5.0
169.10175	6.8
171.11685	38.7
173.09631	9.2
173.13286	19.6
175.14861	27.5
177.16394	59.4
181.10201	5.6
181.15904	4.2
183.11720	4.9
185.13173	5.2
187.14854	14.7
189.03996	4.3
189.12750	20.2
189.16347	7.2
195.17424	6.0
197.13277	5.7
199.14859	8.1
201.16379	16.4
205.15918	3.8
207.13779	40.7
209.13322	8.2
213.16441	8.6
217.15811	4.3
219.17439	12.5
227.14423	10.1
231.17479	5.2
241.15854	5.2
243.17494	7.4
249.16353	4.8
261.18521	7.2
267.17465	11.2
281.17484	63.7
285.18533	21.3
287.16489	5.6
303.19644	9.1
309.17090	5.6
311.95535	3.5
361.20041	4.7
371.18304	5.5
377.19449	4.0
389.19620	13.6
398.17310	3.5
407.20694	20.9
425.21555	16.9
443.22607	17.5
443.27750	4.9
444.17505	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	443.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
55.01860	0.8
56.05036	4.8
57.03397	0.5
58.06603	0.5
58.59951	0.4
69.03419	1.3
70.06580	1.4
71.11093	0.8
72.08146	1.0
74.02434	0.6
74.06076	1.6
77.03931	0.6
81.03419	0.8
84.04484	0.4
84.08153	0.8
85.02905	4.0
87.04443	0.8
91.05479	7.4
93.07042	11.8
95.04960	1.9
97.02887	2.0
102.05540	1.5
103.05462	6.9
105.04500	1.1
107.04957	17.3
109.02871	1.0
119.07313	0.5
120.06593	1.6
121.06505	100.0
122.06837	0.8
126.31723	0.5
133.05237	0.7
134.06001	7.5
134.09688	0.8
147.04420	1.3
148.07555	0.6
158.08061	0.6
162.09146	18.2
163.09840	0.5
164.10704	0.8
165.45848	0.4
180.10219	1.1
191.95029	0.5
199.14491	0.5
219.11151	0.9
264.12354	2.0
281.14954	52.0
282.15182	0.7
315.13525	0.5
316.13837	1.1
323.16266	0.5
351.42328	0.5
410.32455	0.5
426.17398	1.3
443.11642	1.1
443.20248	12.1
443.25995	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69057	2.6
53.03959	13.6
55.01868	7.1
55.05519	16.9
57.03448	18.6
61.02929	41.2
67.05509	47.1
69.03432	34.0
69.07072	11.3
69.39165	7.8
69.39580	14.1
71.01357	3.8
71.04979	6.0
73.02924	19.9
77.03944	3.8
79.05068	4.1
79.05499	67.4
81.03428	28.6
81.07065	43.9
83.04983	14.4
83.08623	7.2
85.02912	38.8
85.06535	3.6
91.03961	24.1
91.05484	51.6
93.07052	72.9
95.04978	20.0
95.08615	27.2
97.02890	33.0
97.06544	7.0
99.04456	7.4
101.02392	9.7
103.03922	3.6
105.07034	45.0
107.04954	6.0
107.08613	20.0
109.02888	13.5
109.06518	9.7
109.10181	4.5
111.04416	3.3
115.03921	3.2
117.07011	13.5
119.08607	22.0
121.06518	4.3
121.10161	3.3
123.08104	5.9
127.03928	28.2
127.07545	3.4
129.05507	3.5
129.07040	19.9
131.08571	6.7
133.06511	3.8
133.10182	12.6
135.08138	3.0
143.08563	15.7
145.04951	7.0
145.10138	12.6
147.08031	6.3
147.11714	48.6
159.11687	3.5
161.09657	6.6
161.13263	17.6
171.08119	3.0
171.11696	39.5
183.06563	3.3
189.12778	16.1
207.13843	56.1
233.15346	3.4
235.94495	2.8
269.15344	3.5
281.17496	100.0
287.16443	5.9
323.18637	6.7
377.26755	2.7
425.21631	6.3
443.22696	12.1
456.29468	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	443.189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
55.05505	0.9
55.67060	0.4
57.03440	0.6
61.02921	0.4
67.05493	1.6
69.03427	1.1
69.07069	0.9
71.04989	0.4
71.53811	0.6
72.13656	0.4
72.59333	0.4
79.05492	1.2
81.03416	1.6
81.07049	2.0
82.26178	0.4
83.04961	0.6
83.08630	0.4
84.08073	0.4
85.02914	1.9
85.06551	0.5
86.09695	0.8
91.05484	1.5
93.07043	1.8
95.08620	1.3
97.02903	0.7
97.06532	0.4
98.33628	0.4
99.04512	0.6
104.26287	0.3
105.01844	0.8
105.07043	1.5
105.55556	0.3
107.04965	0.4
107.08612	1.0
109.02875	1.1
109.06548	0.4
109.10155	0.8
117.07002	0.5
119.08595	1.1
121.10160	1.0
127.00056	0.4
127.03920	1.7
129.07024	0.7
131.08600	0.6
133.10144	0.7
135.11679	0.5
137.06004	0.4
137.09576	0.5
143.08530	0.8
145.05016	0.5
145.10229	0.6
147.11716	0.7
149.09604	0.5
151.07500	0.4
157.10159	0.6
159.08159	0.4
159.11810	0.4
161.13326	0.5
163.11218	0.5
165.09132	0.7
167.07031	0.6
171.11650	0.5
189.12791	0.5
195.13515	2.2
223.13156	1.0
227.05208	0.6
263.16516	0.4
271.04123	0.4
281.17523	0.9
297.07553	0.9
302.88287	0.5
339.12448	0.7
357.18872	8.2
381.18707	1.0
399.19934	30.0
425.26340	0.5
443.18900	100.0
444.19272	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94303	1.3
57.61218	0.8
69.03419	1.1
70.06593	2.9
70.95856	2.0
71.53693	1.1
71.93006	0.8
72.08154	1.3
72.93782	8.4
77.41280	0.8
81.01252	0.8
81.03412	3.2
81.07060	2.3
82.95832	1.0
85.02899	2.5
86.09696	2.2
90.94818	4.0
91.05490	2.9
95.04955	1.7
97.02888	1.3
105.07033	1.6
107.08594	2.5
116.96398	1.0
119.04952	0.9
121.04014	4.2
121.06583	0.9
126.98407	1.0
128.96364	2.1
131.08574	0.9
132.95810	1.1
137.06012	1.2
138.05525	1.0
138.98351	1.0
142.97998	1.3
143.67050	0.8
144.95830	2.0
147.04489	1.0
147.11684	1.2
149.09601	1.1
152.99966	1.0
154.97910	100.0
158.97380	1.3
162.96832	0.9
166.97903	3.1
168.99464	1.5
170.97435	1.0
171.01010	1.4
172.98978	57.8
178.97873	1.0
180.99521	3.0
182.97423	2.7
183.01059	1.0
184.98985	5.0
192.99527	1.0
195.01042	1.8
196.00575	3.6
196.98978	11.6
199.00496	1.0
203.01660	0.8
208.98981	1.4
209.02594	9.0
211.00562	7.5
212.98433	1.8
213.02144	1.8
215.00026	22.2
219.01018	6.5
219.11343	2.8
221.02608	10.7
223.00487	1.9
223.04158	1.3
226.99995	1.4
227.03775	1.5
233.01033	14.8
237.02147	0.8
238.01556	1.3
239.03685	11.8
241.01624	2.5
250.60957	0.8
251.03682	5.9
253.01665	1.4
263.03745	5.1
265.05200	1.1
269.04791	4.9
271.02719	1.3
281.04721	38.1
281.07944	1.4
283.02713	1.2
287.05789	1.0
299.05789	86.2
300.05984	1.4
322.07413	5.5
323.05789	4.9
323.09262	1.5
335.09399	0.9
341.06934	4.6
351.14331	1.0
353.06946	0.9
377.06775	1.9
383.07498	1.4
413.09042	1.4
443.10031	44.6
443.19534	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	441.373
Annotation	Mollugogenol B
Peak:m/z	Relative Intensity
53.03928	1.6
55.05513	12.5
57.07067	4.0
63.43904	1.3
65.03940	2.9
67.05180	1.7
67.05511	29.6
69.07071	15.7
69.53580	11.1
71.04991	2.3
77.03928	2.0
79.05492	15.3
81.03446	2.0
81.07065	50.1
83.08631	11.4
86.09724	1.4
89.28300	1.3
91.05481	14.5
93.07047	41.2
95.04958	2.9
95.08614	100.0
97.06535	2.0
97.10179	3.8
99.08077	2.0
105.07040	30.9
107.08607	54.8
109.06468	2.8
109.10165	53.7
111.08086	23.9
113.09637	1.8
116.05478	1.4
117.07035	2.4
119.07800	2.7
119.08598	40.7
121.06488	1.5
121.10157	42.3
123.08080	2.7
123.11723	21.3
125.09621	3.9
129.07010	2.5
131.08588	11.8
133.10138	36.4
135.11688	33.7
137.09592	2.6
137.13225	9.6
139.11186	11.1
140.17892	1.6
143.08507	4.0
144.09331	1.9
145.06482	5.7
145.10150	17.2
147.11707	23.4
147.63435	1.6
149.09602	1.6
149.13266	22.5
151.11186	3.5
151.14841	2.1
153.12701	2.1
157.10126	5.8
159.11705	18.4
161.13272	26.6
163.14850	22.1
163.16138	2.8
164.09654	1.5
165.09109	3.0
165.12750	4.4
169.10040	2.1
171.11644	6.0
173.13297	13.1
175.14841	22.2
177.16417	15.7
183.68613	1.5
185.13297	3.5
187.14857	12.5
189.16380	15.1
191.18028	8.3
193.15891	4.9
195.11543	1.9
195.17424	10.2
199.14801	5.1
201.16412	17.4
203.17981	25.9
205.15735	3.1
205.19646	1.9
207.17433	7.5
213.16341	4.7
215.17949	16.4
217.19525	14.5
219.17459	10.8
221.19080	8.7
227.17969	5.8
229.19542	16.7
231.17471	2.1
233.19070	8.3
241.19431	2.5
243.21103	3.6
245.18921	3.0
247.20560	11.6
255.13760	1.7
255.21075	4.9
257.22723	6.6
259.20477	2.2
261.22238	3.3
269.22665	6.2
271.24072	1.9
273.14871	3.0
273.22189	4.2
275.23688	5.0
283.24170	3.2
287.23706	4.5
301.25085	2.5
349.21680	4.3
364.85205	1.6
365.32117	2.8
367.22897	3.5
383.32901	4.5
405.35037	5.1
411.35980	3.6
423.36209	43.5
441.26532	16.4
441.37296	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	441.3728
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05501	1.6
57.07071	0.8
60.97215	0.3
65.03938	0.4
67.05517	2.6
69.03422	0.9
69.07068	4.9
69.53825	2.2
79.05470	1.1
81.07059	5.4
83.04987	0.9
83.08611	1.5
85.06541	0.5
87.60863	0.3
91.05465	1.1
93.07057	4.3
95.04954	1.0
95.08609	12.5
97.06512	0.7
97.10159	0.9
98.20753	0.6
98.80058	0.4
102.55020	0.3
105.07023	3.4
107.08595	8.4
109.06527	0.9
109.10163	7.7
111.08081	0.6
111.11739	0.6
117.78082	0.4
119.08588	4.4
121.06505	1.2
121.10144	7.9
123.08086	1.5
123.11726	5.1
125.09586	0.5
125.13267	1.0
128.86815	0.4
131.08578	1.1
133.10147	4.6
135.08060	4.4
135.11688	7.4
137.09634	1.0
137.13284	3.5
139.11113	0.4
145.10112	1.9
147.11691	3.4
149.09627	10.1
149.13286	3.0
151.11119	0.5
157.10118	0.7
159.11696	2.6
161.09604	0.8
161.13240	2.7
163.11166	1.8
163.14818	1.2
163.83395	0.4
171.11726	1.0
173.13181	1.8
175.11166	0.7
175.14825	2.3
177.12747	0.8
177.16394	3.0
179.14250	0.6
185.13197	0.6
186.44395	0.4
187.14824	2.5
189.12814	0.8
189.16373	4.7
191.14250	0.4
191.18033	0.8
199.14792	0.6
201.16432	0.6
203.14322	1.0
203.17924	0.6
205.15971	0.5
205.19482	0.6
211.14880	0.5
213.16344	0.7
215.17955	1.4
217.15866	0.7
217.19455	0.5
227.17999	0.5
229.19514	0.6
231.17352	0.5
233.19008	2.2
235.16968	3.7
241.19475	0.8
243.21074	1.0
245.18919	0.5
247.20540	0.7
255.21074	0.5
257.22552	0.4
259.20691	0.5
261.22009	0.7
269.22601	0.7
283.24332	0.5
285.22110	0.7
287.23700	4.7
301.25293	0.4
303.23199	0.8
346.35040	0.4
405.35181	0.5
423.36292	2.0
441.37292	100.0
442.37500	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.5
57.03429	1.9
57.07082	4.2
58.14958	0.9
67.05511	13.8
69.06724	1.5
69.07076	18.3
71.04977	2.3
71.08636	9.4
71.54606	1.3
75.04476	0.9
79.05494	6.0
79.92564	0.9
81.07065	17.1
83.04990	1.8
83.08628	7.8
85.06551	1.5
91.05489	5.6
93.07054	8.9
95.04949	1.4
95.08612	19.0
97.06528	3.3
97.10178	2.2
99.08093	6.1
105.07047	6.1
107.08610	12.5
109.06533	7.1
109.10165	9.6
111.04444	1.1
111.08082	3.0
119.08589	9.2
121.06535	2.2
121.10134	7.7
122.07246	1.5
123.07200	1.6
123.08075	27.2
123.11701	4.2
125.05953	2.0
125.09623	1.6
131.08562	2.3
133.10144	7.7
135.08047	6.1
135.11707	4.6
136.08833	0.9
137.09637	2.9
137.13261	2.6
139.11137	0.8
145.10109	2.5
147.11665	3.4
149.09624	2.4
149.13235	3.3
152.33772	1.0
153.12744	4.0
159.11678	2.9
161.09595	0.8
161.13271	1.3
163.11130	1.4
163.14841	2.6
165.12772	2.5
167.14276	1.3
173.13290	1.6
175.14809	1.9
177.12813	1.5
179.14319	40.3
181.15842	1.0
187.14871	1.0
189.16438	1.8
191.14323	1.4
193.15852	1.9
194.46735	0.8
212.46283	0.9
251.20090	7.3
261.18359	1.0
275.19989	1.3
278.63953	1.1
293.21182	7.5
293.28305	2.7
303.26828	13.0
321.27890	2.7
327.25092	1.0
331.26331	36.1
349.27399	40.0
350.27368	1.3
405.29962	5.6
423.31073	100.0
424.31125	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	441.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52140	3.5
53.56548	3.7
55.05512	28.5
57.03436	10.9
57.07080	34.6
67.05514	25.0
69.06734	4.1
69.07074	55.6
70.76785	9.0
70.85481	3.3
71.08643	19.5
79.05515	4.8
81.07057	35.7
82.98927	3.6
83.08633	35.0
85.06495	3.7
85.10188	12.4
87.04472	5.6
91.05491	5.3
92.36367	3.3
93.07031	13.5
95.08611	63.8
97.06551	8.7
97.10176	19.9
99.08014	4.4
105.07032	5.7
107.08612	27.7
109.10171	39.5
111.11716	9.8
119.08571	14.9
121.10145	30.8
123.08089	4.0
123.11714	16.0
129.09126	6.7
133.10144	12.5
135.11719	20.6
137.13281	13.8
139.11177	4.2
145.10124	10.4
147.11697	9.9
149.13190	17.5
153.12781	4.8
159.11639	8.7
163.11198	4.6
163.14833	9.3
171.11789	3.8
173.13252	10.6
175.14848	11.6
177.16327	6.6
187.14815	7.1
189.16444	10.3
191.17967	14.0
199.14818	6.5
201.06201	4.2
205.19553	6.6
217.15877	4.7
217.19257	4.0
219.17517	4.0
219.21162	4.9
220.05450	4.4
229.19516	4.4
231.21040	6.3
235.17000	7.1
245.22618	6.3
319.77594	4.3
349.23535	4.0
349.34595	8.8
405.35327	23.6
423.36520	21.5
441.39386	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.8
55.05509	18.0
57.03435	7.1
57.07068	10.7
67.05496	8.6
69.07063	29.3
71.08627	6.2
71.53567	2.7
71.53960	3.1
72.61938	2.9
79.05489	5.2
81.07045	12.5
83.08615	17.8
90.58238	3.3
92.67487	2.9
93.06997	7.1
95.08614	17.3
97.10155	13.1
105.07021	7.2
105.15258	2.7
107.08588	7.0
108.08945	4.1
109.10165	4.4
111.08078	8.7
113.00018	30.4
119.08572	5.2
121.10149	8.0
123.11752	5.2
133.08580	3.4
133.10150	3.3
135.11681	5.4
145.10066	3.3
147.11720	3.6
149.13245	7.9
161.13245	4.5
169.02654	31.9
173.41801	2.7
187.03723	4.5
232.70187	3.1
311.25827	100.0
422.35062	6.2
440.36264	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	441.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70365	0.4
58.36668	0.4
69.03435	0.6
70.06587	0.8
71.17034	0.8
85.02889	0.8
85.70460	0.4
91.05538	0.6
108.08108	0.9
119.04942	0.4
127.00038	0.5
147.04417	2.0
150.05562	0.6
175.47354	0.5
177.01657	1.4
177.05518	0.7
185.04256	0.7
192.03943	14.8
192.05623	0.9
193.04712	5.9
206.75925	0.4
214.03293	0.9
227.05293	1.4
243.11314	1.0
261.12576	0.7
271.04221	2.1
279.13312	0.6
355.10046	4.2
397.11053	25.7
441.10065	100.0
442.10333	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1733
Annotation	Lys-Trp-OH
Peak:m/z	Relative Intensity
51.07739	0.4
51.34398	0.4
55.05514	0.5
69.03438	0.4
71.04966	0.9
71.46229	0.4
71.53925	0.6
72.08154	0.8
79.05500	1.0
81.07054	1.2
85.02903	0.6
91.05478	0.4
93.07011	1.2
95.08598	1.0
99.04441	0.4
106.45747	0.4
107.08601	1.2
108.28773	0.4
109.10162	0.7
109.91053	0.3
119.08582	0.7
121.10175	0.7
133.10150	0.6
135.11670	0.8
144.03369	0.4
147.11629	0.4
163.53186	0.3
175.10956	0.5
175.14880	0.6
185.04211	0.5
193.12062	2.5
199.11188	0.5
203.05310	0.4
215.10686	0.4
227.05273	0.7
230.52446	0.4
245.06374	3.2
277.56903	0.4
289.05380	3.0
337.16064	0.5
349.94507	0.4
355.17255	11.7
379.17105	0.6
397.18341	27.9
398.18546	0.5
431.16873	0.4
441.17346	100.0
442.17664	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78221	1.0
53.03939	2.2
55.01870	8.7
55.05515	11.6
57.03444	16.8
57.07067	2.2
59.05003	1.8
61.02932	18.0
63.59946	1.0
67.05485	2.6
67.74527	1.0
69.03436	38.2
69.07073	59.2
69.92819	4.8
71.01358	4.7
71.04992	3.9
73.02923	83.5
79.05499	2.1
81.03439	9.3
81.07062	4.5
83.04992	1.4
83.08632	3.7
85.02911	100.0
87.00851	3.1
87.04479	5.1
90.35619	1.5
91.03962	2.6
91.05437	2.1
93.07053	2.4
95.04981	2.2
95.08614	3.0
96.04496	1.2
97.02900	65.8
97.10172	2.0
98.20761	2.0
99.04466	4.7
103.03944	4.5
105.01892	2.8
105.07021	2.2
107.08576	1.7
109.02877	10.2
109.10146	1.7
111.04453	2.6
111.11729	30.5
115.03941	29.9
116.70893	1.1
121.10133	2.6
123.11668	2.0
127.03925	36.8
133.04973	34.7
133.10088	1.3
135.11671	1.5
137.06073	1.2
137.13191	1.2
145.04971	49.6
147.11691	1.8
150.07623	3.5
151.03946	1.1
157.15872	1.4
163.06041	22.1
168.12794	1.3
181.04932	1.5
187.06044	1.1
193.04939	2.3
195.13803	1.2
199.06070	1.2
207.13750	1.8
217.07076	2.2
219.14014	1.3
223.06038	7.6
225.14903	2.2
231.05067	1.6
241.07077	8.6
243.15952	5.6
259.08194	13.6
277.09296	3.3
295.10233	5.2
440.29950	3.8
441.17059	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	440.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23740	2.8
56.96563	10.6
57.03443	4.5
57.49944	2.3
57.60092	2.4
60.95860	2.6
61.02919	4.7
69.03432	13.4
70.06584	11.7
72.08169	3.6
73.02923	8.2
81.03431	10.8
84.04479	2.9
84.08142	5.3
84.96035	4.9
85.02908	41.9
87.04481	3.5
90.05566	3.2
91.05494	7.7
97.02914	17.6
98.97586	36.6
103.03945	3.3
105.50418	2.6
109.01592	2.5
109.02858	3.8
110.97567	7.8
112.07562	3.2
112.99105	3.3
116.07099	3.7
116.98617	10.4
117.83725	2.8
119.04951	11.4
125.04182	3.8
127.03938	6.6
128.98691	3.2
130.06538	42.0
132.04431	3.3
136.06186	5.4
137.05992	6.5
143.00145	5.9
143.01807	2.9
143.04196	3.4
144.08102	20.3
145.04970	7.2
145.07622	9.7
147.04433	32.0
148.04756	7.3
154.06488	4.5
157.07619	88.1
158.06038	9.8
158.08148	3.1
158.99658	14.3
159.07764	4.1
159.09158	5.0
164.02394	3.9
168.03644	4.1
169.07626	8.9
170.05905	6.3
170.99690	8.6
171.09201	6.3
172.07536	3.4
175.08704	6.2
175.85986	2.9
177.00716	6.5
181.07640	12.0
182.99706	4.4
183.09187	8.1
184.07710	3.6
185.07129	53.7
188.05855	8.3
189.00754	5.9
191.03819	4.3
197.07117	9.9
198.07872	3.4
199.08673	7.8
200.04552	4.5
200.06985	4.3
201.00688	8.6
203.08061	3.6
209.07083	20.8
211.08676	3.1
212.57115	2.9
213.00694	3.2
217.09787	4.3
219.01808	13.3
221.07147	3.0
227.08211	30.0
237.02766	9.0
239.08144	5.0
243.01773	3.9
244.04942	5.2
245.09322	3.3
249.06435	5.1
250.04074	3.0
251.08209	4.2
254.98247	3.2
260.10321	100.0
261.02853	12.4
262.06055	11.3
269.08493	4.3
274.11917	5.4
276.07648	4.2
278.11237	3.8
279.03860	6.4
281.07062	5.8
285.08804	4.9
301.11853	3.9
302.11411	23.7
309.08426	3.5
320.12430	11.3
321.05014	4.7
329.11346	4.2
356.12396	6.0
386.13550	5.0
396.12506	3.8
404.14539	8.5
405.13004	19.8
422.09866	5.8
422.15543	71.9
440.16583	9.2
441.09579	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	439.3571
Annotation	Lucialdehyde A
Peak:m/z	Relative Intensity
50.21479	1.9
53.03946	4.1
55.05514	15.6
57.03429	4.0
57.07063	5.1
59.05000	3.5
65.03920	6.0
67.05505	69.1
69.03402	3.1
69.07059	17.3
71.04991	5.0
79.05492	28.8
79.59380	2.0
81.03422	17.1
81.06589	3.4
81.07059	66.0
83.04981	5.9
83.08618	16.8
85.02917	11.4
85.06557	2.3
91.05477	33.4
93.07044	57.6
95.04952	13.6
95.08607	100.0
97.02887	2.7
97.06541	5.4
97.10159	6.0
98.21614	3.4
99.04413	2.3
103.05458	2.9
105.07032	65.2
107.08596	74.9
109.06512	6.1
109.10159	77.5
111.08092	23.6
113.06006	2.1
117.06998	8.3
119.08588	72.3
121.06506	4.1
121.10144	54.9
123.08074	4.8
123.11687	20.6
125.09626	7.0
127.03916	2.1
129.07024	7.3
131.08572	27.4
133.06490	3.8
133.10146	45.0
135.08066	2.8
135.11693	25.9
137.09633	5.9
137.13284	5.8
139.11151	3.4
142.07750	5.6
143.08586	12.3
144.09254	2.5
144.55138	1.8
145.10126	42.3
147.11679	40.4
149.09671	3.7
149.13269	25.9
151.11137	7.9
153.12779	2.3
154.59486	2.0
155.08524	2.5
156.09364	3.6
156.75951	2.1
157.10141	20.8
159.11688	38.8
161.13281	31.4
163.11116	3.2
163.14813	23.3
165.09154	3.0
165.12740	4.2
169.10149	6.7
171.11658	13.7
173.09613	2.8
173.11728	6.7
173.13252	26.1
175.11142	7.2
175.14804	22.9
177.12790	5.3
177.16447	12.8
179.14267	5.2
183.11670	6.6
185.09720	2.6
185.13283	15.9
187.14838	17.2
189.12711	2.3
189.16406	15.3
191.14345	4.0
191.17915	8.4
193.12250	10.3
193.15897	7.9
195.11642	2.3
197.13423	4.1
199.14870	14.2
201.16415	24.2
203.14246	5.6
203.17937	16.5
205.15904	14.2
205.19446	5.0
207.17447	10.9
210.13835	2.8
211.13182	9.9
211.14948	3.6
213.16386	8.0
215.17958	23.5
217.15921	10.6
217.19525	6.4
219.17458	26.8
221.18993	9.5
225.16377	4.6
227.17999	5.7
229.14273	6.0
229.19583	4.8
229.93802	3.2
231.17421	8.9
233.18938	19.3
239.18013	2.8
241.19479	5.8
243.17300	4.1
243.21056	4.0
245.19052	9.9
253.19460	4.0
255.21071	6.6
257.19037	3.8
259.20581	5.9
267.15955	6.0
267.21014	8.2
269.22708	2.3
271.20474	5.8
273.22159	7.2
281.22482	4.0
285.22092	5.2
299.23694	4.1
307.24054	2.3
313.25177	3.8
339.26685	2.4
363.30594	4.9
381.31461	7.7
403.33527	7.0
409.34650	11.7
421.18451	4.4
421.25821	7.7
421.34598	45.3
439.26657	26.2
439.35632	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	439.3573
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05502	3.3
57.07069	1.7
58.69171	0.7
59.05008	1.0
59.10946	0.7
67.05506	4.3
69.07066	3.5
70.44317	0.7
71.45898	1.2
71.46257	1.0
79.05478	1.4
81.07070	6.7
83.08612	1.8
89.06033	3.4
91.05482	1.7
93.07037	3.9
95.08617	35.9
97.10152	1.1
105.07023	2.6
107.08602	4.6
109.06488	1.8
109.10162	7.3
111.08068	1.0
118.50911	0.7
119.08608	4.0
121.06498	0.9
121.10139	6.5
123.08096	1.8
123.11705	5.0
131.08592	1.6
133.08585	1.5
133.10150	5.5
134.08923	1.0
135.08084	2.2
135.11705	5.8
137.09642	1.4
137.13272	3.3
137.37628	0.7
143.08563	1.1
145.10132	1.5
147.11760	3.9
147.88611	0.8
149.09604	4.6
149.13246	2.9
152.05305	0.7
157.10164	1.5
159.11682	1.6
161.09575	1.6
161.13275	2.1
163.11249	1.6
163.14729	1.0
171.11760	1.6
173.09644	1.0
173.13239	1.7
175.14743	1.9
177.12749	1.4
179.21591	0.7
185.13184	1.0
187.14761	1.7
189.12785	1.3
189.16403	2.0
191.18015	1.3
197.13293	1.0
199.14735	1.1
201.16348	1.6
207.17424	1.2
213.16386	1.7
215.14328	1.3
215.18015	0.9
217.15973	2.1
219.17279	0.8
231.17455	1.3
233.15344	1.5
239.14908	1.0
243.17404	1.4
283.20609	2.7
301.21524	1.6
313.25204	2.1
327.26770	4.3
381.31580	2.7
393.31274	1.8
403.33749	2.0
415.03085	0.8
421.34680	33.2
439.35730	100.0
440.36093	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	439.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00935	1.2
51.79626	1.3
55.05517	11.5
57.07069	4.6
61.36547	1.2
67.05506	15.0
69.07069	16.9
70.15569	1.5
71.08630	2.0
75.65925	1.3
79.05508	8.9
81.06592	2.4
81.07054	33.0
83.08617	10.7
89.06039	13.7
90.06372	3.3
90.32740	1.3
91.05487	11.9
93.06476	2.5
93.07043	30.1
95.08610	67.4
97.10175	4.8
98.21513	3.6
105.07037	22.7
107.08598	43.6
109.10163	39.1
111.08098	2.1
119.08583	46.4
121.10151	39.9
123.11700	16.6
128.06248	1.5
131.08574	5.1
133.08649	8.0
133.10133	35.3
134.08969	1.7
135.01750	1.3
135.11707	27.0
137.13254	6.0
139.07547	2.0
143.08537	2.0
145.10104	6.7
147.11682	28.5
149.13266	19.9
151.07558	1.9
153.09048	6.6
159.11696	7.7
161.13272	19.2
163.14833	19.9
165.93159	1.5
167.10678	3.4
171.11578	1.4
173.13272	4.4
175.14856	11.3
177.11208	2.0
177.16400	10.8
179.10692	2.5
187.14825	4.4
189.16386	43.2
191.17958	100.0
199.14688	1.9
201.16452	12.2
203.17969	81.7
205.19511	27.1
207.17421	2.3
215.17918	6.2
217.19466	11.8
221.19011	6.2
227.17941	1.5
227.63820	1.4
229.19516	3.0
231.17404	4.0
231.21030	5.8
235.16870	4.0
239.14900	9.3
240.15254	5.9
245.22609	3.6
247.16917	6.9
249.18532	24.8
255.20926	1.9
261.18527	3.7
275.20163	2.1
287.20023	1.7
289.21664	2.3
297.25739	2.2
305.16238	1.4
343.22403	1.4
393.35175	8.7
421.34760	5.6
439.35968	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	439.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.1
53.66407	4.3
55.01871	5.8
55.05518	25.5
56.96545	4.7
57.03441	11.2
59.05011	4.9
65.47884	4.3
67.05509	100.0
68.18904	4.3
69.03433	29.6
69.07069	23.1
69.69941	25.1
71.04987	5.6
71.96803	4.8
79.05499	72.9
81.03430	47.9
81.07065	65.9
83.04996	14.1
83.08611	21.2
85.02919	38.0
91.05487	70.1
93.07051	66.2
95.04978	14.8
95.08626	37.5
97.02917	22.9
97.06525	8.7
97.10165	8.0
99.04479	10.1
99.08059	4.6
105.07044	53.5
107.08586	36.9
109.02878	8.5
109.10168	48.0
110.39727	4.0
111.04475	8.5
111.08089	6.3
115.05559	4.7
117.07036	17.5
119.08578	54.4
121.10134	35.3
123.08108	5.5
123.11683	5.3
125.09660	5.5
127.03922	6.9
129.07007	14.1
131.08592	35.1
133.10139	38.2
135.11717	24.2
137.09627	7.1
143.08546	10.8
145.10143	33.2
147.08064	7.5
147.11705	46.2
149.02307	5.7
149.13264	12.4
155.08595	6.2
157.10156	10.1
159.11687	27.1
161.13304	16.6
165.12808	4.6
169.10068	5.5
171.11734	18.1
173.11766	8.0
173.13153	10.2
175.11259	7.6
183.11728	6.0
185.13260	13.0
187.14856	8.0
190.72633	4.2
193.05005	14.8
193.12306	13.2
194.05328	8.5
197.13281	6.9
199.14810	9.7
202.14738	4.5
211.13283	9.3
231.21078	5.4
241.19557	9.6
257.19064	5.6
259.20602	38.2
267.16092	6.2
271.20636	5.3
275.19974	7.3
277.21625	9.7
301.21643	16.7
325.21716	5.8
349.09842	5.3
349.16653	4.3
349.21567	5.0
367.22748	10.4
385.23599	25.5
403.24841	32.7
421.25763	30.8
439.26889	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	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58103	0.7
51.82922	0.5
53.03944	0.9
55.05514	7.6
57.07080	9.9
58.07384	0.6
65.03951	1.0
67.00165	0.5
67.05510	22.1
69.07072	15.1
69.26891	2.7
69.27315	2.7
71.08637	2.3
78.48567	0.7
79.05491	7.2
81.07063	75.4
82.15851	0.6
83.08626	8.5
85.10171	1.2
89.06033	1.9
91.05478	5.6
91.05963	0.7
93.07050	11.9
94.11177	0.6
95.08613	100.0
97.10178	3.8
105.07037	8.8
107.08599	12.1
109.10165	36.8
111.11732	2.1
117.07034	3.0
119.08588	9.0
121.10155	8.8
123.11718	38.3
125.09730	0.9
125.13304	1.1
131.08575	7.5
133.08630	1.0
133.10162	6.6
135.11694	6.6
137.13266	54.1
143.08548	3.7
145.10132	8.7
147.04913	0.7
147.08070	0.9
147.11690	5.7
149.13264	6.2
151.14822	4.3
151.96750	0.6
153.09177	0.9
156.09491	0.8
157.10136	4.9
159.11691	5.4
161.13235	3.5
163.14853	2.6
169.10179	0.7
171.11703	6.1
173.13292	6.6
175.14830	5.7
177.16426	2.0
179.17975	10.5
185.13286	5.3
187.14827	7.1
189.16452	2.4
191.10674	0.7
191.18019	1.8
193.19576	1.3
199.14830	5.7
201.16382	6.6
203.18063	2.1
205.12148	0.9
205.19612	1.9
213.16414	10.8
215.17975	9.6
217.12355	1.8
217.19611	1.2
219.13879	1.3
227.18022	2.9
229.19466	1.2
231.13943	0.8
233.15433	1.5
239.14987	0.8
239.17924	1.0
240.15300	0.9
240.18860	1.0
241.19527	8.0
243.21106	6.0
245.15430	2.3
255.21074	5.0
257.22784	1.5
259.16962	9.1
261.18628	2.0
269.22693	5.0
283.24326	0.9
287.20013	3.3
289.21735	1.3
301.21756	1.7
315.23245	1.1
334.00763	0.6
393.35172	18.5
422.35660	0.8
439.26773	1.2
439.35843	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	439.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51909	2.0
55.01867	3.4
55.05500	3.2
57.03435	9.0
61.02923	2.9
65.03927	4.7
67.05508	100.0
68.32852	1.8
69.03431	15.2
69.07067	4.0
70.06587	6.6
71.04995	4.3
71.53422	2.9
71.53801	2.8
73.02919	9.5
79.05479	3.4
81.03415	5.4
81.07055	17.2
83.04932	2.8
83.08637	4.2
84.04510	4.9
84.08145	3.5
85.02441	2.9
85.02907	30.3
85.06545	10.9
86.09718	6.5
87.04469	2.9
91.05473	5.0
93.07053	3.7
95.04969	6.4
95.08608	8.1
97.02897	21.9
107.08612	3.3
109.02895	6.2
109.10165	71.9
115.03935	5.7
123.04413	5.8
123.87328	2.2
127.03929	13.0
127.11180	18.6
128.07082	8.5
133.04977	9.8
133.10109	2.8
136.07600	3.3
145.04935	11.2
151.03903	3.0
155.14325	14.4
163.06010	4.5
165.94060	2.3
170.73523	2.1
173.15366	7.0
175.00552	2.5
177.05429	4.0
183.06554	6.4
191.16441	5.1
223.06221	4.5
236.79250	1.9
241.07140	3.4
259.07944	2.4
273.12668	3.0
274.12851	4.5
277.06882	9.0
395.12878	4.0
439.12021	23.5
439.17133	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.1
53.66407	4.3
55.01871	5.8
55.05518	25.5
56.96545	4.7
57.03441	11.2
59.05011	4.9
65.47884	4.3
67.05509	100.0
68.18904	4.3
69.03433	29.6
69.07069	23.1
69.69941	25.1
71.04987	5.6
71.96803	4.8
79.05499	72.9
81.03430	47.9
81.07065	65.9
83.04996	14.1
83.08611	21.2
85.02919	38.0
91.05487	70.1
93.07051	66.2
95.04978	14.8
95.08626	37.5
97.02917	22.9
97.06525	8.7
97.10165	8.0
99.04479	10.1
99.08059	4.6
105.07044	53.5
107.08586	36.9
109.02878	8.5
109.10168	48.0
110.39727	4.0
111.04475	8.5
111.08089	6.3
115.05559	4.7
117.07036	17.5
119.08578	54.4
121.10134	35.3
123.08108	5.5
123.11683	5.3
125.09660	5.5
127.03922	6.9
129.07007	14.1
131.08592	35.1
133.10139	38.2
135.11717	24.2
137.09627	7.1
143.08546	10.8
145.10143	33.2
147.08064	7.5
147.11705	46.2
149.02307	5.7
149.13264	12.4
155.08595	6.2
157.10156	10.1
159.11687	27.1
161.13304	16.6
165.12808	4.6
169.10068	5.5
171.11734	18.1
173.11766	8.0
173.13153	10.2
175.11259	7.6
183.11728	6.0
185.13260	13.0
187.14856	8.0
190.72633	4.2
193.05005	14.8
193.12306	13.2
194.05328	8.5
197.13281	6.9
199.14810	9.7
202.14738	4.5
211.13283	9.3
231.21078	5.4
241.19557	9.6
257.19064	5.6
259.20602	38.2
267.16092	6.2
271.20636	5.3
275.19974	7.3
277.21625	9.7
301.21643	16.7
325.21716	5.8
349.09842	5.3
349.16653	4.3
349.21567	5.0
367.22748	10.4
385.23599	25.5
403.24841	32.7
421.25763	30.8
439.26889	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	437.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23995	3.0
52.63713	3.0
53.03951	11.5
55.01865	8.4
55.05518	25.2
57.03436	10.3
57.07080	3.2
61.20705	2.8
65.03948	7.3
67.05511	98.8
69.03432	6.6
69.07076	28.3
71.05005	7.9
71.53655	4.9
79.05499	88.9
79.27663	2.8
81.03421	12.4
81.07063	100.0
83.05002	7.2
83.08619	14.1
85.02925	6.0
85.06560	5.7
87.59616	2.6
91.05483	70.8
93.07052	91.0
95.04977	10.4
95.08614	44.7
97.02898	4.2
97.06544	10.8
97.10171	4.2
99.04459	3.0
104.54165	2.8
105.04566	3.2
105.07028	45.8
107.04956	5.8
107.08593	44.3
109.02889	4.3
109.06483	5.7
109.10159	29.7
109.21880	2.9
111.08072	4.5
117.07018	14.4
119.08575	28.9
120.28732	2.8
121.10136	44.9
123.08067	3.8
123.11736	6.8
125.09660	4.4
127.03893	4.1
129.07040	7.4
131.08572	20.6
133.10126	32.6
135.08029	4.1
135.11707	28.9
137.09625	3.2
143.08601	7.6
145.06415	3.2
145.10138	19.5
147.04408	6.4
147.11682	14.7
149.09618	10.5
149.13286	12.2
155.54692	3.0
157.10129	9.5
159.11707	12.9
161.09668	4.9
161.13257	8.9
163.11195	9.3
171.11760	4.8
173.11858	3.2
173.13315	5.5
175.11180	3.4
177.12666	4.8
185.13223	4.1
191.07027	3.4
200.17245	2.6
211.31715	2.8
227.12808	8.0
241.19522	3.7
257.19037	4.6
259.20630	12.7
275.20074	20.6
333.24136	7.8
340.11023	3.5
383.22009	3.2
401.23538	3.4
407.33997	3.2
419.24112	4.4
437.19308	14.3
437.25388	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	439.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.8
55.05512	3.7
57.03436	9.2
60.87318	2.3
61.02933	3.3
63.85804	2.1
65.03943	2.4
65.85129	2.1
67.05510	81.9
69.03435	19.2
69.07063	4.0
70.06594	5.1
70.83779	5.0
71.05011	3.3
73.02923	16.6
79.05505	4.8
81.03423	3.2
81.07084	11.2
83.08629	10.6
84.04499	3.7
84.08138	2.7
85.02913	38.6
85.06545	27.3
86.09743	2.0
91.05482	4.5
95.04980	4.5
95.08618	3.2
97.02892	27.9
99.08063	2.3
106.06525	2.2
107.04972	2.6
107.08585	4.0
108.35912	2.3
109.02882	4.3
109.10160	100.0
115.03931	8.7
119.04994	4.0
120.88354	2.4
121.10164	3.3
123.04452	5.0
127.03933	13.2
127.11202	52.8
133.04985	11.6
145.04987	11.0
147.04424	4.7
155.14278	3.6
163.06001	5.1
167.06990	2.3
181.05009	2.2
183.06519	3.2
193.12451	2.1
214.60788	2.0
241.07214	5.8
247.62434	2.0
259.08234	3.0
259.10779	2.5
349.87598	2.3
393.18268	3.6
439.11899	2.9
439.17636	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	436.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
56.82191	0.5
57.07079	5.9
58.06594	1.4
61.27266	0.4
67.05487	1.4
68.05019	0.6
69.07054	0.6
70.06599	13.4
70.11498	0.9
70.11900	1.4
71.08636	2.6
77.68419	0.4
77.84146	0.5
79.05479	1.0
81.07061	0.8
83.08605	0.6
88.07639	18.5
93.07030	0.8
95.08606	0.5
96.24188	0.5
98.21397	0.5
102.09193	13.3
103.01824	2.5
109.10160	0.8
135.04428	3.5
137.45415	0.4
147.04366	0.5
153.05547	0.7
163.03914	65.8
163.05043	3.8
191.07104	1.1
207.06548	73.8
212.23662	0.7
256.26376	46.2
277.93311	0.5
436.30637	100.0
437.30972	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22904	2.5
53.03943	7.8
55.01864	7.0
55.05504	4.6
57.03429	6.5
59.98602	2.4
61.02916	6.7
67.05497	6.1
69.03434	35.6
69.89547	13.0
71.04997	6.8
73.02926	7.1
79.05511	7.1
81.03423	25.1
81.07062	91.4
83.08646	3.1
85.02910	93.4
85.06532	7.0
87.00835	48.3
91.05495	9.0
93.07051	65.9
95.04961	4.3
95.08612	33.0
97.02893	62.8
98.20840	3.1
99.04471	14.4
104.91788	2.4
105.01186	5.4
105.01875	87.3
105.07038	4.6
107.04956	3.8
107.08599	55.8
108.68379	2.5
109.02898	26.3
109.08672	2.3
109.10148	3.5
115.03944	6.7
119.08591	4.4
125.02354	2.7
127.03927	74.0
129.01869	3.8
135.11705	100.0
137.13266	31.0
145.04985	49.3
147.02893	4.6
153.12752	11.1
157.10153	2.7
159.02885	8.1
161.04558	5.0
166.45972	2.5
173.04530	2.7
213.03947	3.4
231.05029	32.0
249.06059	19.0
303.04984	2.8
304.05405	6.5
383.17126	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25784	2.9
51.90173	2.8
53.03944	6.7
55.05520	5.9
57.03419	5.1
61.02921	4.4
67.05502	9.0
69.03446	21.9
69.07050	7.4
70.06598	3.6
71.04991	6.9
79.05482	12.0
81.03413	11.8
81.07048	9.7
85.02916	64.6
85.06507	2.9
86.09691	3.6
87.00854	25.3
91.05485	15.7
93.07047	63.1
95.04977	4.0
95.08630	25.8
97.02906	33.6
97.06521	13.0
98.20728	7.1
99.04443	11.6
105.01879	49.5
105.07034	8.5
107.04943	7.4
107.08603	100.0
107.85847	3.3
109.02862	15.3
109.06483	5.4
109.10141	9.4
119.08565	4.6
121.10160	4.5
122.30351	3.2
127.03929	49.7
128.04210	4.1
135.11700	71.5
137.05971	5.1
145.04958	28.0
147.04440	4.6
153.11690	3.8
153.12766	46.6
159.02884	10.5
171.13808	10.3
173.65244	3.3
177.51938	3.2
193.08583	3.2
193.12337	3.0
231.04953	17.2
238.18816	3.7
249.06111	8.3
272.06277	5.9
274.06979	5.8
346.16681	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	436.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21027	1.0
55.01871	2.8
55.05510	3.3
56.33628	1.4
57.03423	1.2
57.07104	1.1
58.09024	1.1
60.09805	1.1
65.61178	1.1
67.05511	7.0
68.99802	1.3
69.03440	2.7
69.07072	2.8
70.06583	1.6
71.05013	1.8
79.05498	5.3
81.03418	2.7
81.07063	6.3
83.04996	2.2
83.08605	1.5
85.02903	3.0
85.06528	2.1
91.05505	5.7
93.07036	5.2
95.01326	2.6
95.04972	3.8
95.08614	4.4
97.02875	1.7
97.06532	1.6
97.10148	1.2
98.21547	2.0
98.41417	1.2
99.08143	1.2
104.26553	1.1
105.07049	6.0
107.04945	4.0
107.08600	3.1
109.02876	1.8
109.06544	2.0
109.10142	2.7
117.06993	2.8
118.78358	1.3
119.04927	2.3
119.08588	4.0
121.02856	1.6
121.06562	2.6
121.10152	1.8
123.04403	2.1
123.11721	2.0
127.03915	2.6
129.06998	2.5
131.04927	2.1
131.08591	2.4
133.06506	2.2
133.10126	2.3
135.04440	1.2
135.11710	1.4
137.05971	2.9
141.07002	1.5
143.08569	2.1
145.06482	2.1
147.04416	1.7
147.11688	1.5
149.02338	1.2
149.05984	1.5
151.03906	1.4
157.10190	1.3
161.06004	2.6
163.03903	1.9
167.07059	2.9
167.08490	1.3
169.10052	1.6
171.08153	1.2
173.05968	2.4
173.09627	1.8
175.03957	2.3
177.05476	2.2
181.04945	2.6
182.05278	1.4
189.05452	2.8
195.11771	1.8
199.07530	1.3
205.04884	1.3
205.75433	1.1
213.09338	1.4
213.12704	1.9
215.10690	1.7
217.04956	2.8
221.04427	5.7
225.08992	1.3
227.10669	1.4
233.11812	3.6
239.16489	1.4
241.12259	4.1
251.10649	1.4
259.13437	2.6
269.11746	4.3
277.10803	2.1
287.12848	6.8
297.11273	1.7
303.11871	1.5
305.13800	2.8
315.12320	13.8
333.13327	100.0
351.14426	44.5
351.17593	0.8
369.15417	4.7
418.15970	1.3
436.23013	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02227	1.7
53.03941	5.5
53.33358	1.5
55.01880	7.5
55.05503	4.5
57.03427	5.8
57.07076	2.6
58.23107	1.4
61.02927	5.6
67.05491	5.1
68.99789	4.6
69.03434	34.4
69.07074	9.0
71.04993	15.5
71.52782	2.1
72.08134	1.8
73.02914	5.9
79.05497	3.4
81.03427	20.8
81.07060	20.9
83.08626	4.3
84.08133	1.4
85.02911	72.6
85.06528	1.9
86.09707	2.4
87.00836	36.2
87.04465	1.6
90.60316	1.3
91.05478	6.3
93.07047	27.7
95.04974	3.8
95.08620	11.5
97.02895	40.3
97.06529	6.1
99.04472	10.5
103.41395	1.5
105.01878	46.7
105.07034	7.5
107.04954	6.5
107.08598	26.3
109.02888	18.8
109.06476	7.4
109.10161	12.1
111.08102	1.9
115.03938	2.0
117.07069	2.4
119.08585	12.8
121.06486	4.0
121.10129	5.5
123.04421	2.7
123.08039	3.3
123.11721	3.2
125.13258	2.8
127.03934	46.0
127.11217	1.6
129.01793	3.4
129.07021	2.1
131.08578	3.0
133.06488	1.9
133.10124	3.2
135.11700	40.5
137.06029	2.2
137.09613	2.5
137.13246	6.0
143.08531	2.8
144.06630	1.6
145.04965	22.1
145.10138	5.6
147.02852	3.3
147.04370	2.2
147.08034	3.6
147.11720	3.8
149.13225	2.5
151.11180	3.5
153.12753	100.0
154.13112	1.7
159.02899	8.3
159.11705	3.6
159.51678	1.7
161.13281	2.3
163.11261	1.7
165.12750	8.5
167.07048	1.8
171.08087	2.3
171.13828	5.0
173.04469	2.0
173.09587	6.4
173.13206	1.8
175.07507	2.2
175.11195	2.5
177.12776	6.6
179.14296	3.4
189.03941	3.1
191.10725	2.0
195.13861	9.6
205.08536	1.7
207.13774	4.3
215.14311	1.5
219.04953	1.7
219.13910	3.5
231.05002	15.8
233.15363	2.6
237.14870	4.3
243.13858	9.5
249.06088	9.3
260.64505	1.6
261.14825	8.7
274.07941	2.7
279.15735	1.9
297.17053	2.0
302.08527	1.6
347.14951	6.5
365.16052	10.5
373.80872	1.5
383.16934	16.2
401.17899	4.0
411.17010	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80433	0.5
51.91458	0.5
53.03931	0.8
55.05508	1.5
59.05000	0.9
61.02897	0.6
67.05521	0.6
69.03419	2.0
69.07056	2.1
70.98351	1.3
71.04996	11.9
73.02925	0.6
73.06556	2.3
79.05484	2.1
81.03439	0.7
81.07060	13.3
85.02912	4.2
87.00852	2.8
89.67819	0.6
91.05483	1.9
93.07051	10.3
95.08612	2.2
97.02890	1.6
97.06538	1.4
100.90095	0.6
105.01867	2.9
105.07000	0.6
107.08609	7.2
109.02880	1.4
109.06549	0.5
109.10155	1.9
110.66402	0.5
125.76278	0.5
126.62605	0.7
127.03927	2.8
135.11702	16.9
138.54996	0.6
145.05000	1.1
153.12758	100.0
206.09081	0.6
334.68204	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54411	0.7
55.01878	1.9
55.05511	1.5
56.05040	5.4
57.03437	1.6
57.73641	0.6
58.16135	0.7
58.99590	7.7
60.04534	4.5
68.05035	1.6
69.07059	1.1
69.26357	0.6
70.06593	4.2
70.41850	2.1
72.82481	0.6
73.01160	1.2
74.00670	3.1
76.01830	1.2
76.02235	12.9
79.05495	2.5
81.07067	11.1
83.06117	1.4
84.04047	1.1
84.04516	13.7
85.01131	3.0
85.02901	1.3
86.00667	4.6
86.06088	0.8
86.99062	4.3
87.02684	3.5
88.04001	1.6
94.06589	1.1
95.05017	0.7
95.08607	2.6
96.08138	1.0
97.01112	1.5
97.06532	2.1
98.09702	14.3
99.08107	1.9
100.02213	2.2
105.00118	0.9
105.07052	1.5
106.05048	9.3
110.09674	1.4
111.08139	1.1
113.04237	5.6
114.03797	0.8
114.05537	3.3
115.05801	1.5
116.03489	1.4
118.03241	1.7
118.05042	0.7
122.09652	1.6
123.08070	1.0
127.03935	9.3
127.05769	1.6
128.01656	1.2
128.04266	4.6
129.04399	4.5
129.06598	3.3
129.07428	1.1
130.05008	4.4
130.06862	2.3
130.08676	1.2
132.06584	3.5
139.05757	1.2
142.03264	1.3
142.04947	1.3
146.02724	19.4
146.04491	1.0
156.07161	1.0
156.08444	18.8
156.09679	1.5
157.06853	6.6
160.06050	2.5
160.09708	1.4
171.43895	0.8
173.03871	0.9
174.02234	2.8
174.09492	7.9
175.00557	0.8
175.07297	0.9
177.05470	1.0
180.22464	0.7
186.11256	7.7
187.05283	0.7
190.01729	3.1
191.05089	0.9
192.03278	14.8
209.05934	6.1
210.11287	2.3
215.04805	0.7
233.06000	1.7
246.08009	2.6
268.09238	1.6
285.12689	2.3
289.12195	100.0
290.12646	1.1
307.13123	0.9
313.12195	3.4
331.13330	4.8
373.14444	0.7
418.16345	1.9
436.17508	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	436.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.7
55.01872	10.7
57.03423	5.6
61.02925	10.1
65.03952	2.9
68.92802	1.4
68.99786	5.9
69.03094	1.8
69.03436	32.8
70.91553	3.8
71.04993	3.7
73.02934	8.5
76.02219	7.1
78.90061	1.9
79.05471	3.4
81.03420	31.8
83.04953	2.7
84.04501	5.5
85.02907	100.0
87.00828	32.8
90.05543	5.6
91.03954	2.8
93.03381	2.4
97.02900	30.0
97.06542	12.3
99.04469	13.7
103.03972	3.6
105.01872	28.7
107.04951	8.1
108.04482	9.9
109.02885	35.4
111.04437	13.7
117.01844	5.7
117.02666	2.0
125.05975	1.7
126.05499	7.3
127.03922	66.9
129.01826	6.0
135.04451	2.9
139.03906	44.3
141.06546	1.9
144.06528	2.8
145.04970	34.6
147.02882	5.5
158.02716	8.9
159.02899	23.5
159.07683	2.5
163.03917	15.5
171.06528	80.6
176.03737	5.9
177.05492	2.6
181.04945	7.1
189.04019	7.4
191.04851	8.4
193.06445	18.2
195.06538	33.5
207.06572	2.5
213.03903	3.0
213.07565	30.3
230.06601	3.0
231.05022	16.3
233.05975	2.2
233.08054	1.8
237.07576	20.5
248.07635	7.3
249.06027	3.4
261.07602	13.5
266.08630	2.3
279.08618	26.4
322.10608	10.7
335.88995	1.6
365.08713	3.7
383.09573	3.4
394.43692	1.8
410.08234	1.6
417.90717	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	435.2743
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03954	5.6
55.01868	2.6
55.05511	13.1
57.03431	2.9
57.07076	1.7
59.04988	3.7
59.83700	1.0
61.27076	1.0
61.43115	1.0
65.03943	2.6
67.05506	100.0
68.05839	1.7
69.03416	1.4
69.07065	7.8
70.91360	1.2
71.04986	3.2
71.08652	1.2
71.26604	1.8
71.26941	1.6
73.06546	1.3
73.62032	1.1
79.05072	2.2
79.05497	35.9
81.03404	4.3
81.07056	34.1
83.04982	5.8
83.08618	8.3
85.06532	4.5
91.05483	32.5
93.06490	1.6
93.07050	33.4
95.04974	9.3
95.08605	16.9
97.02876	1.7
97.06510	2.2
97.10175	2.7
98.98534	1.5
99.61545	1.1
105.06406	1.4
105.07035	20.2
107.04946	4.6
107.08598	11.2
109.06495	3.8
109.10161	62.7
111.08066	2.7
117.07016	3.3
119.08594	18.6
121.10149	2.5
123.08092	3.0
127.07565	1.2
128.06181	1.7
129.07016	9.4
130.62027	1.1
131.08575	4.1
133.06474	1.6
133.10136	6.9
135.08054	1.7
135.11658	1.8
137.09564	1.9
143.08566	4.6
145.10103	5.2
147.11696	17.9
155.10652	4.7
161.09616	3.1
161.13220	4.3
171.11681	15.6
173.11752	12.2
189.12735	9.1
207.13811	22.0
211.13286	1.8
227.01231	1.4
281.17651	1.2
321.83453	1.1
343.22687	2.1
417.26270	1.6
435.27359	82.7
436.27484	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2744
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
51.50979	0.6
52.11162	0.5
55.05273	0.8
55.05516	12.3
57.03417	0.7
57.07079	3.8
60.98388	0.6
65.03941	1.2
67.05180	1.1
67.05510	14.1
68.72433	0.6
69.07073	17.3
69.86962	3.2
71.04980	1.0
71.08625	0.8
79.05494	7.2
81.03418	1.1
81.07063	16.8
83.04969	1.8
83.08626	11.9
85.06546	1.5
91.05486	16.7
93.07052	7.9
95.04980	1.5
95.08617	12.9
95.09187	1.3
97.02885	0.8
97.06541	2.5
97.10176	13.0
99.08080	1.2
105.07038	5.6
107.04943	1.0
107.08611	5.1
109.06512	1.1
109.10166	8.1
111.08105	1.8
111.11705	5.4
113.09678	0.9
117.07079	0.6
119.04958	21.2
119.08594	5.4
121.10150	7.6
123.04437	0.9
123.08081	1.5
123.11715	2.9
125.09615	1.4
125.13258	2.1
131.08530	0.7
133.10150	7.4
135.11705	6.5
137.09651	2.0
137.13269	2.1
138.23886	0.7
139.11171	2.5
145.10072	1.0
147.04422	100.0
147.11676	4.9
148.04750	1.2
149.13274	1.4
151.11209	1.7
151.14825	1.2
153.12790	0.9
155.10606	1.3
157.12209	0.8
161.13310	3.7
165.05510	5.6
165.12759	2.5
169.12367	0.9
171.11697	1.1
171.13808	1.1
175.14827	2.2
179.14339	2.1
193.19681	1.2
207.13841	1.0
217.19545	12.6
235.20560	13.9
241.28493	0.7
253.21645	11.0
253.24196	1.2
271.22772	2.1
343.22513	1.4
417.26453	1.3
435.27524	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	435.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11483	0.8
53.03928	1.1
53.99969	0.9
55.05268	0.9
55.05513	10.4
57.07070	1.8
65.03922	1.1
66.76678	0.8
67.05511	13.5
69.07070	17.1
70.25307	3.5
71.04980	1.9
71.08630	0.8
71.76102	0.9
79.05501	7.7
81.03399	1.2
81.06594	1.1
81.07060	16.2
83.05007	1.4
83.08623	10.8
85.06526	1.4
91.05481	13.8
93.07047	7.1
95.04977	3.9
95.08046	1.4
95.08607	13.9
97.06506	2.7
97.10172	12.9
99.08087	1.5
105.07043	6.3
107.04940	0.8
107.08601	6.1
109.06461	1.5
109.10175	6.7
111.08057	2.8
111.11727	7.6
113.09620	0.9
117.07011	1.4
119.04115	1.5
119.04953	21.4
119.08578	5.3
121.10137	7.9
123.08099	1.3
123.11703	2.6
125.09661	2.0
125.13264	2.8
131.08607	1.2
133.10124	5.1
135.11673	6.2
137.09610	1.6
137.13235	2.7
139.11185	1.8
145.10100	1.2
147.04417	100.0
147.11707	4.2
148.04704	1.0
149.13252	1.6
151.11185	2.1
151.14781	1.8
153.12721	2.3
155.08636	0.9
159.11728	0.9
161.13257	4.3
165.05481	16.9
165.12738	2.8
169.12170	1.2
171.11729	0.8
171.13707	1.0
175.14771	2.0
176.92812	0.9
179.14319	1.1
193.15826	1.0
193.19536	1.1
197.15462	1.2
217.19530	13.4
223.13223	1.0
235.20561	15.4
253.21616	10.8
271.22626	1.1
343.22681	3.0
361.23428	1.7
388.94241	0.9
417.25998	2.0
423.95377	1.0
435.27490	8.2
435.32681	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.15
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08132	0.8
53.03951	2.4
55.01871	2.0
55.05519	1.1
57.03440	5.6
61.02972	0.9
69.03436	7.7
69.75579	3.4
69.75987	1.5
70.06603	2.3
71.05009	2.8
72.04527	1.1
73.02932	2.4
76.02226	1.2
81.03427	9.3
81.07048	1.2
83.04987	3.1
84.04544	1.1
85.02911	31.6
86.06078	2.0
86.09712	1.6
87.04485	2.2
90.05573	1.9
93.07067	1.0
97.02898	18.9
97.06525	1.4
98.09724	1.0
99.04463	19.8
101.06017	5.3
103.03951	30.0
107.05011	1.0
107.08606	1.3
109.02889	11.5
111.04457	3.2
115.03985	1.0
116.01654	1.2
120.08110	1.4
127.03931	50.3
129.05493	100.0
145.04977	28.2
145.06140	1.0
147.04420	1.5
151.11183	1.0
158.02754	3.5
163.06053	8.6
167.07025	1.7
176.03807	2.1
185.08139	1.4
187.06042	4.2
193.06468	3.0
229.08687	3.4
233.05754	1.3
271.08163	4.3
273.11151	4.5
273.12744	3.7
289.09164	1.5
307.10190	1.5
387.81290	1.0
417.26840	0.9
435.26773	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1289
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
50.04668	1.0
55.01871	1.1
56.79476	0.6
57.03421	1.2
64.46632	0.6
66.31170	0.6
67.01864	0.9
68.99807	1.2
69.03416	2.3
70.77176	1.8
71.05008	0.9
72.13308	0.6
74.21841	0.6
77.19742	0.7
81.03420	1.1
81.07057	1.5
85.02907	7.6
91.05492	4.9
93.07034	0.8
95.04964	1.3
95.58901	0.6
97.02890	3.4
99.04500	1.0
100.11273	1.9
107.04965	2.3
115.03118	0.7
119.04961	10.9
121.02873	1.2
121.06511	0.7
123.04449	4.7
127.03900	4.6
128.07039	0.8
135.11667	0.9
137.05983	2.9
145.04897	1.2
147.04419	37.2
153.01837	76.8
153.12750	3.9
165.01845	1.7
167.07045	1.9
171.02850	1.3
172.05276	0.8
179.03337	0.9
181.04967	3.1
182.15460	1.9
186.06706	0.7
189.05437	1.1
191.03397	0.9
195.02887	3.3
210.14966	1.6
219.02863	1.9
231.02977	1.3
231.06660	0.8
233.08041	1.6
273.07581	100.0
274.07837	1.5
276.14984	0.9
285.07489	1.1
417.15564	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1289
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
55.01856	2.0
55.05519	12.5
57.03435	3.5
61.02932	1.8
65.03972	1.4
67.05518	1.5
69.03433	4.4
69.07049	1.4
69.70879	2.1
69.71277	5.5
75.42200	1.2
79.05447	1.1
81.03420	3.4
81.07032	1.5
82.06563	6.0
83.08613	9.2
84.08146	1.3
85.02903	19.1
91.05490	3.2
95.04983	2.3
97.02904	5.3
100.07639	3.8
100.11266	28.6
100.34765	1.5
101.34068	1.3
107.01498	1.3
107.04968	3.0
109.02850	2.3
110.06041	2.7
111.04430	5.5
111.19566	1.2
112.07584	1.4
115.08640	1.3
119.04983	7.7
121.02872	4.9
123.04430	3.5
127.03922	3.3
127.08627	2.2
128.07121	4.4
135.04359	1.6
139.08621	3.0
147.04416	29.8
149.13264	1.2
153.00577	2.9
153.01833	58.6
160.46597	1.2
163.03847	1.3
165.01833	19.2
167.07077	1.6
169.12189	1.4
171.02910	1.6
177.01834	5.3
181.04942	4.0
182.15393	19.7
183.02902	4.7
187.03899	1.4
189.01974	1.4
191.03387	8.8
195.02879	34.0
205.05003	2.2
209.16541	13.5
210.14894	20.3
219.02901	19.1
226.19202	8.2
228.15927	2.3
231.02873	10.8
233.04362	1.8
233.08014	2.4
243.02888	4.1
249.03871	2.8
261.03900	8.4
273.07574	100.0
279.04965	2.0
285.07614	12.6
287.14029	1.3
297.07504	5.2
315.08557	6.9
336.22760	8.2
339.08698	12.0
343.42163	1.2
351.08749	7.7
363.08612	2.3
369.09512	2.1
381.09756	3.4
391.00693	1.3
399.10727	5.5
417.32321	2.2
435.12451	2.4
435.33255	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1288
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
53.03954	1.6
53.92189	0.8
55.01868	2.4
55.05526	1.0
57.03424	3.6
61.02922	2.9
67.05486	1.3
68.99788	1.4
69.03432	6.5
71.05003	1.8
71.07935	1.0
73.02930	1.2
79.05497	3.8
81.03413	4.3
81.07061	2.2
84.02420	0.9
85.02423	1.6
85.02915	21.1
87.04451	0.8
89.98151	0.9
91.03942	1.0
91.05472	2.9
95.04976	1.5
95.08619	2.1
97.02899	7.1
97.06525	1.7
97.10156	0.9
99.04446	2.1
105.07051	1.9
107.04942	3.7
107.08564	1.2
108.09057	1.1
109.02867	3.1
111.00820	1.4
115.05396	0.9
117.07002	1.1
119.04943	6.7
120.63175	0.9
121.02881	3.1
121.06532	1.2
121.10143	1.4
123.04469	4.4
125.02306	1.4
127.03902	4.6
131.04915	1.0
131.08551	1.0
133.10078	1.2
135.11664	1.4
137.05963	3.3
139.03906	2.6
144.05638	1.0
145.04930	2.8
145.06555	1.4
147.04419	33.7
151.03902	1.2
153.01842	58.5
163.03922	1.2
165.01842	12.3
167.07047	6.6
169.12244	1.0
171.02946	1.8
177.01833	3.3
177.05400	1.0
181.04979	8.6
183.02968	2.8
187.03812	1.3
187.07350	1.1
189.01851	1.2
189.05432	1.2
191.03412	4.8
195.02902	23.9
215.03467	1.1
218.05746	1.5
219.02893	9.1
226.05667	0.9
231.02962	7.7
233.04494	1.1
233.08165	4.8
243.02765	1.4
249.03830	2.5
251.08833	1.0
255.11371	1.0
261.03940	5.8
273.07599	100.0
274.07739	1.8
285.07520	8.9
288.14615	2.0
297.07809	4.4
315.08633	6.2
339.08768	7.2
351.08575	4.7
363.08377	1.2
369.09451	1.2
381.09595	3.0
391.13666	4.5
399.10818	3.7
417.15771	4.5
435.12451	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	433.259
Annotation	Triflorestevione
Peak:m/z	Relative Intensity
51.64599	0.9
53.03939	1.6
55.05507	5.2
65.03942	2.5
67.05511	38.9
69.07073	5.8
71.27654	1.9
79.05494	9.3
81.07063	40.6
83.05018	1.2
83.08636	6.3
85.06557	1.2
89.06028	1.0
91.05492	19.1
93.07046	11.1
95.08617	43.4
95.49917	0.9
97.06521	3.0
97.10172	4.0
98.98473	5.4
105.07032	4.5
105.85575	1.2
107.08582	7.1
109.10166	21.3
111.08080	2.4
117.07069	1.3
119.04956	29.7
119.08602	6.0
121.10151	8.8
123.11716	9.9
127.03969	1.2
131.08583	3.8
133.10149	10.4
135.11714	8.5
137.09601	4.1
137.13240	4.2
145.10127	4.1
147.04424	100.0
147.11688	3.6
149.13280	6.5
151.11223	7.4
153.12564	1.1
155.10693	1.5
159.11725	2.2
165.05510	15.0
169.12236	1.8
181.12122	0.9
184.20453	0.9
195.13803	2.7
215.17993	14.9
233.19012	9.4
251.20105	25.0
271.05945	2.7
342.03369	1.1
363.94345	1.1
433.30402	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	435.1265
Annotation	3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone
Peak:m/z	Relative Intensity
53.03934	0.8
55.01875	0.9
57.03441	0.9
61.02929	1.6
67.05493	1.6
68.99807	0.7
69.03445	3.4
70.50839	0.7
70.51159	2.0
71.04967	0.8
79.05488	1.7
81.03429	1.5
81.07078	1.3
85.02914	10.0
91.05488	1.8
92.04485	0.6
95.05002	1.2
95.08620	1.4
97.02892	3.2
99.04448	0.8
103.03946	1.0
103.05469	2.1
105.07045	2.1
107.04964	2.0
109.02934	0.8
109.06536	3.7
115.05517	0.8
119.04970	1.4
121.06538	1.2
123.04435	35.0
127.03879	1.4
131.04907	1.3
133.06487	1.6
135.04453	5.7
135.08073	2.4
137.05983	73.9
145.05005	2.2
147.04425	11.5
149.05980	2.4
151.07582	2.6
160.05086	1.0
161.06017	2.9
163.07555	10.5
165.05490	6.6
167.03165	0.9
167.07094	1.6
173.05986	1.7
181.04994	1.9
185.06033	1.6
186.06540	1.0
187.07339	1.2
189.05449	6.0
208.11700	0.7
210.64474	0.6
211.01358	0.7
213.05400	0.6
219.06519	1.8
227.05278	1.8
231.06491	3.4
233.08159	1.3
249.07713	3.1
263.09204	1.0
270.30682	0.7
271.04355	2.9
273.11221	7.9
285.11337	4.8
297.11246	2.6
309.11368	1.4
339.12323	2.5
349.12567	3.0
373.12402	1.0
381.13251	1.6
391.13647	34.7
417.15277	0.9
435.12650	100.0
436.12997	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
54.20070	0.6
55.05517	4.8
65.03938	2.0
67.05508	25.0
69.07069	5.6
70.35188	0.6
71.04997	1.0
71.08629	0.7
79.05067	1.0
79.05491	7.5
81.06585	1.5
81.07060	29.8
83.04990	1.0
83.08609	4.8
91.05488	15.3
93.07056	8.1
95.08612	32.4
97.06531	1.6
97.10154	4.1
99.08097	1.5
105.07027	3.4
107.08600	6.8
109.09465	1.1
109.10168	15.1
111.08065	1.2
119.04948	23.5
119.08569	4.8
121.10138	8.0
123.11731	7.3
125.09637	1.0
131.08598	2.4
133.10130	8.1
135.11690	6.9
137.09628	3.3
137.13257	2.9
139.11252	0.9
145.10127	1.7
147.04417	100.0
147.11702	1.6
148.04793	0.8
149.13303	4.0
151.11189	5.6
155.10674	1.4
159.11703	2.2
165.05482	26.5
165.12769	1.4
167.13968	0.7
169.12260	0.9
173.13255	1.4
181.12331	0.7
187.14883	1.0
188.91138	0.7
191.17938	1.0
195.13869	2.5
215.17961	11.5
233.19006	5.7
237.22162	2.0
243.90125	0.6
251.20073	21.1
251.22763	1.0
255.23232	2.3
271.06131	1.4
307.86316	0.7
415.27151	1.5
433.30853	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
55.01880	7.0
55.05515	30.2
56.65633	0.8
56.93220	1.0
57.03440	6.3
59.04992	1.7
61.84134	0.9
65.03936	2.8
67.05508	34.7
69.03432	5.0
69.07075	12.0
71.04996	3.4
71.53735	2.1
79.05496	45.7
81.03417	7.8
81.07062	30.6
83.04510	1.2
83.04955	6.0
83.08621	12.9
85.02882	2.0
85.06550	2.4
87.04447	1.5
91.05485	34.5
93.07048	31.7
95.04980	28.2
95.08038	1.8
95.08604	15.1
97.02894	2.4
97.06522	4.2
97.10183	20.9
99.08101	2.0
101.06009	1.1
103.05489	3.6
105.03399	2.1
105.07034	26.6
107.04968	12.5
107.08598	19.4
109.02847	1.6
109.06509	4.7
109.10156	9.0
111.08073	2.4
115.05456	5.2
117.07027	17.0
119.04938	2.8
119.08581	12.2
121.06506	14.0
121.10139	16.7
123.04450	2.4
123.08074	5.3
123.86658	1.0
125.09633	15.3
125.94895	0.9
127.03918	3.4
128.06229	5.2
129.05486	2.4
129.07008	22.1
131.04927	12.9
131.08578	26.2
133.06503	7.8
133.10133	7.6
135.04414	2.6
135.08041	7.6
135.11707	3.5
137.06010	2.1
137.09590	1.1
141.06976	8.7
142.07814	2.8
143.08569	13.2
145.06491	18.9
145.10136	10.7
147.04375	1.2
147.08060	7.9
147.11707	3.4
149.05893	1.2
149.09641	18.3
151.11208	1.5
153.07095	1.8
153.09108	2.8
154.07802	1.7
155.08549	9.8
157.06516	3.9
157.10121	7.4
159.08052	9.0
159.11725	8.1
161.06085	1.3
161.09657	3.9
161.13277	3.9
163.11234	5.5
165.07071	1.4
166.07774	1.2
167.07193	1.0
167.08589	4.0
168.09363	1.6
169.06474	1.7
169.10138	10.9
171.08040	4.7
171.10274	2.3
171.11691	17.6
173.09573	6.4
173.13237	1.7
175.11200	3.4
177.12816	2.0
179.08519	2.3
181.05121	1.1
181.10118	3.2
183.08070	1.9
183.11682	4.7
185.09563	2.3
185.13324	3.3
186.10487	1.2
187.11229	7.7
189.09158	3.3
189.11221	10.5
189.12791	12.2
193.10159	2.9
193.12251	2.3
195.11737	3.7
197.09544	5.5
197.13278	3.6
199.11168	3.1
201.12776	3.0
203.10667	3.5
203.14291	1.1
205.12239	6.4
207.11752	2.3
209.13280	2.0
211.11201	6.9
211.14796	1.4
213.12758	2.0
215.10756	3.3
215.14439	1.3
217.12355	1.4
219.13911	1.0
221.13425	2.2
223.11345	1.4
223.13136	4.6
225.12749	4.1
227.12831	3.2
229.12167	4.6
231.13876	2.4
235.14873	1.2
239.14291	1.5
243.13985	5.3
245.13780	1.6
247.13368	1.4
249.14835	1.2
257.15356	3.9
261.14905	3.1
267.15924	3.4
271.06006	11.0
273.14951	2.4
275.16562	1.9
279.16031	1.2
295.20569	3.9
297.16898	1.8
299.19888	1.2
301.07138	2.3
305.18982	1.7
313.21634	5.7
317.21118	1.2
321.17227	1.3
323.20105	21.0
335.18503	2.2
341.21121	97.1
342.21466	2.0
359.22250	8.4
377.23035	1.2
379.22742	1.5
397.23792	1.9
415.24808	48.0
433.25870	100.0
434.26074	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	433.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
54.92027	0.3
55.01873	0.3
57.02295	0.3
57.03435	0.3
69.03436	1.7
71.04897	0.6
81.03429	1.7
81.68859	0.3
85.02914	5.9
97.02908	3.2
99.04443	2.5
103.03941	3.8
107.43240	0.2
109.02885	2.0
126.18489	0.3
127.03922	100.0
129.28963	0.3
132.62741	0.3
145.04974	2.9
163.05995	0.7
184.33453	0.3
185.88991	0.3
187.06108	0.6
205.07013	0.5
258.95447	0.3
271.08212	0.8
289.09250	0.4
306.16415	0.3
458.90375	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
57.03435	0.2
69.03436	1.7
69.80175	1.2
71.04976	0.3
73.02914	0.5
78.88538	0.2
81.03426	2.6
82.91084	0.2
85.02911	5.8
87.57745	0.2
97.02892	3.3
99.04459	3.7
103.03946	4.7
108.13605	0.2
109.02882	2.7
127.03922	100.0
128.04279	0.4
145.04967	4.5
163.06049	0.6
187.05998	1.1
262.12482	0.2
271.08182	0.7
296.29587	0.2
371.87433	0.3
433.13120	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.134
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
53.03944	0.7
60.24816	0.2
61.02909	0.3
69.03438	1.7
70.48936	0.7
71.04974	0.4
73.02915	0.5
79.50636	0.2
81.03426	2.3
83.04919	0.2
85.02910	5.8
97.02895	3.8
99.04462	3.4
103.03957	4.5
104.45919	0.2
105.23866	0.2
109.02887	3.1
115.03977	0.2
127.03925	100.0
128.04341	0.3
145.04968	4.2
145.06122	0.2
147.23293	0.2
163.06044	0.7
186.60735	0.3
187.06018	0.8
190.26506	0.2
205.07259	0.3
271.08197	0.6
317.83936	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	433.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.0
55.01873	1.3
57.03436	0.9
58.18012	0.3
61.02941	0.6
65.03933	0.3
67.05505	0.5
68.99794	1.0
69.03439	3.2
69.71279	1.8
70.06605	0.4
71.04990	0.6
73.02912	0.9
73.32104	0.3
75.04488	0.9
75.60993	0.3
81.03414	3.0
82.04205	0.7
85.02906	9.9
87.00834	4.3
89.86507	0.3
93.03413	0.5
93.23662	0.3
95.01331	1.3
95.04971	0.8
97.02894	3.6
97.06568	0.4
98.21444	0.4
99.04444	1.9
103.03987	0.5
105.01856	2.6
107.01311	0.4
109.02883	5.1
109.98273	0.3
110.03664	7.9
111.04449	1.5
117.01824	0.4
123.04415	0.9
125.05997	29.1
127.03918	8.7
129.01849	0.7
139.03912	5.2
142.06253	0.4
145.04959	2.8
147.02892	0.4
152.27902	0.3
153.05469	54.7
154.06255	18.2
155.03403	1.6
155.07045	0.8
159.02904	1.6
167.07025	1.4
170.05733	5.9
178.06242	1.2
181.04904	0.4
181.08575	0.5
185.08096	100.0
186.08479	0.7
189.03978	0.4
194.05711	1.9
209.08099	5.1
221.08102	1.3
227.09200	2.7
231.04918	1.1
236.06750	1.5
245.69859	0.3
247.09712	0.7
251.09221	1.8
271.05908	0.4
275.09079	1.5
289.14124	0.4
293.10284	2.6
433.19858	1.0
433.27808	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1131
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
54.86658	0.2
55.48589	0.2
56.88058	0.2
67.01867	0.5
69.71815	1.0
71.25168	0.2
90.67214	0.2
91.05434	0.3
104.31738	0.2
119.04932	1.6
121.02847	0.5
124.07459	0.2
132.96831	0.2
145.02850	0.5
148.57239	0.2
149.68651	0.2
153.00685	0.2
153.01828	4.3
163.03906	0.4
171.02919	0.3
187.03998	0.3
225.05548	0.2
271.06018	100.0
272.06271	1.2
323.56830	0.3
337.51129	0.2
433.11353	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1132
Annotation	Kaempferide 3-alpha-L-arabinopyranoside
Peak:m/z	Relative Intensity
50.01406	0.2
69.18393	0.5
69.18823	1.3
73.29419	0.2
83.56384	0.2
85.02907	0.3
97.02917	0.2
99.04453	0.2
101.08433	0.2
113.79828	0.2
120.64621	0.2
127.03909	0.4
153.01913	0.3
154.27852	0.2
212.43933	0.2
229.05013	0.2
258.05243	12.0
271.05994	0.7
271.12683	0.2
286.04718	31.5
287.05145	0.4
301.07062	100.0
302.07428	0.9
322.64127	0.2
433.11368	0.9
433.18002	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1131
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
53.03936	0.2
55.01875	0.4
55.05524	0.2
55.16291	0.2
57.03434	0.4
61.02908	0.4
64.94600	0.2
67.01859	0.5
67.05498	0.3
68.99811	0.2
69.03419	1.1
69.07063	0.2
69.34114	1.3
71.04988	0.5
79.05498	0.3
81.03400	0.7
81.07042	0.4
85.02911	3.2
85.06528	0.2
86.09706	0.7
91.05472	0.8
93.07056	0.2
95.08602	0.4
97.02902	1.2
97.06553	0.4
99.04466	0.3
105.01895	0.2
105.06979	0.2
107.08623	0.2
109.02885	0.6
109.10178	0.3
111.00806	0.2
119.04955	2.1
121.02866	0.6
121.06427	0.2
121.10109	0.2
125.09612	0.2
127.03922	1.7
130.06505	0.4
145.02846	0.5
145.04929	0.5
149.09610	0.2
149.13258	0.5
153.01825	4.7
163.03935	0.4
167.14333	0.6
177.73653	0.2
185.11699	0.6
185.15384	0.6
225.05435	0.2
229.04933	0.3
243.06601	0.4
271.06021	100.0
272.06308	1.2
283.05869	0.2
287.05536	0.4
313.07120	0.5
316.16391	0.3
337.06873	0.3
367.08200	0.2
433.10727	0.3
433.20435	0.4
438.20810	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	433.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.0
57.03437	0.0
65.03950	0.0
67.01532	0.0
67.01867	0.4
67.05513	0.0
67.36367	0.0
68.99758	0.3
69.03422	0.1
71.33568	0.0
71.54065	0.0
81.03427	0.1
81.07058	0.0
83.96559	0.0
85.02907	0.2
91.05476	0.3
93.07048	0.0
95.08617	0.1
95.89946	0.0
97.02894	0.1
109.02881	0.1
111.00832	0.0
119.04942	1.5
121.02868	0.5
125.02341	0.0
127.03921	0.1
129.01840	0.1
131.04953	0.0
137.05969	0.1
137.09651	0.1
141.06970	0.1
145.02821	0.5
145.06560	0.0
149.02336	0.0
153.01831	4.2
161.05956	0.0
163.03912	0.3
169.06534	0.0
169.08614	0.1
171.02917	0.2
173.06050	0.0
185.05930	0.0
185.15331	0.0
187.03925	0.1
197.06015	0.1
201.05545	0.0
202.06277	0.0
203.07162	0.1
211.03973	0.0
215.07153	0.1
225.05449	0.3
229.04979	0.3
243.06528	0.3
247.06131	0.1
253.04967	0.1
254.05891	0.1
270.05054	0.0
271.06006	100.0
272.06320	1.0
283.05862	0.1
299.05829	0.0
313.07053	0.1
353.06543	0.0
379.07974	0.0
397.08844	0.1
433.11258	1.0
433.16373	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05265	1.0
50.56547	0.9
53.03947	5.3
55.01871	8.4
55.05518	1.1
57.03441	7.5
61.02937	6.1
67.05499	1.3
68.99783	3.0
69.03434	39.9
69.87546	4.1
70.06599	1.3
71.05009	5.2
72.08166	1.9
73.02911	5.8
79.03251	0.8
79.05510	1.5
79.88207	0.8
81.03424	22.0
81.07055	2.2
83.05005	1.3
84.04519	1.0
85.02908	100.0
86.09706	1.3
87.00834	45.8
91.03958	1.5
91.05479	1.0
93.07059	1.6
97.02900	25.6
99.04462	9.9
103.03960	6.3
105.01873	58.4
107.04962	50.8
107.05717	1.4
108.04484	2.5
109.02883	26.7
117.01875	2.6
119.04972	2.1
121.06492	1.8
124.60194	0.8
126.05498	0.9
127.03925	55.0
129.01851	4.0
131.04924	8.3
133.10141	1.0
138.22949	1.0
144.05721	1.9
145.04964	22.8
145.06474	2.2
147.02922	3.5
149.05992	12.3
149.09607	8.1
151.03909	0.9
159.02901	11.2
171.02896	1.5
173.06026	7.4
173.09625	10.2
175.14845	1.9
185.06032	1.5
189.03941	14.0
191.10631	5.8
197.06001	1.2
213.03987	1.4
215.07021	2.5
215.10709	8.0
219.10115	1.3
230.06783	1.2
231.05029	15.5
233.11774	3.5
239.10703	3.2
248.07571	2.1
249.06090	7.0
257.11740	8.7
271.06000	3.2
275.12906	2.5
319.08316	1.0
339.75974	1.0
343.11688	1.7
355.10184	2.7
355.49344	1.0
432.18597	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	431.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.7
55.01866	4.4
55.05509	12.1
57.03438	19.4
57.07076	3.2
61.02696	1.5
61.02930	16.7
65.03941	1.8
67.05177	3.0
67.05508	45.0
69.03437	20.5
69.07068	21.4
69.95022	5.4
69.95419	3.0
71.01348	1.6
71.04984	5.6
73.02923	8.8
79.05492	27.3
81.03427	18.7
81.07063	57.6
83.04976	16.3
83.08632	12.9
85.02912	23.1
85.06554	4.6
87.04500	2.9
91.03967	9.8
91.05482	20.9
93.07050	44.1
95.04966	5.6
95.08617	17.3
97.02897	23.3
97.06542	8.3
97.10178	1.6
97.15522	1.6
97.29611	1.5
99.04451	5.8
99.08099	3.0
100.58521	1.7
101.02367	4.9
103.03947	5.6
105.07031	11.9
107.04979	3.3
107.08591	19.3
109.02859	5.5
109.06493	3.1
109.10155	3.9
111.04436	4.0
111.08090	4.9
111.11665	1.9
115.03978	2.3
117.07054	10.4
119.08579	5.7
121.06514	3.3
121.10162	14.2
123.11702	4.1
127.03925	12.0
128.22029	1.7
129.05505	8.8
129.06993	3.2
131.08583	11.3
133.06477	1.6
133.10152	9.0
135.11732	8.7
139.11188	3.0
140.41997	1.9
145.04953	3.2
145.06476	2.1
147.11679	7.1
148.52382	1.9
149.09674	2.3
149.13266	26.2
151.11122	1.6
157.10222	1.7
159.11688	22.3
161.13266	3.3
177.12767	17.8
178.86798	1.6
179.14287	4.3
183.06522	3.5
195.13809	26.8
213.14793	4.5
219.13785	3.1
251.16359	1.8
261.14969	2.1
265.30026	1.7
269.17490	100.0
270.17822	1.9
297.16959	2.7
302.75400	2.0
311.18503	2.0
357.24707	1.6
377.19629	2.1
395.20209	2.8
413.21451	10.8
431.22791	9.6
431.28040	2.7
450.01239	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.134
Annotation	Unknow
Peak:m/z	Relative Intensity
68.36402	0.1
69.03414	0.2
69.07048	0.2
69.41483	0.6
69.41915	0.5
81.03423	0.2
81.07042	0.2
85.78063	0.2
91.05474	0.2
93.07034	0.2
95.08646	0.2
105.07033	0.2
107.04974	1.4
107.08601	0.2
112.51538	0.2
118.04175	2.3
118.04949	0.3
119.08568	0.2
123.04452	0.2
130.06526	0.2
130.85298	0.1
133.02850	0.1
133.06490	0.3
136.01559	0.5
137.02356	0.7
154.02629	0.8
159.09209	0.2
163.03931	0.3
170.07291	0.2
181.06503	0.4
182.07254	0.4
185.09576	0.2
193.14731	0.1
195.08090	0.2
197.05919	1.0
198.06772	0.8
213.09114	5.1
225.05499	0.5
226.06248	2.7
237.05466	4.3
241.08566	0.2
245.37772	0.1
253.05008	3.8
254.05780	5.7
269.08093	100.0
270.08487	1.0
272.17477	0.3
287.05682	0.3
431.13406	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2277
Annotation	Hierapolitanin D
Peak:m/z	Relative Intensity
53.03933	4.7
55.01866	4.4
55.05509	12.1
57.03438	19.4
57.07076	3.2
61.02696	1.5
61.02930	16.7
65.03941	1.8
67.05177	3.0
67.05508	45.0
69.03437	20.5
69.07068	21.4
69.95022	5.4
69.95419	3.0
71.01348	1.6
71.04984	5.6
73.02923	8.8
79.05492	27.3
81.03427	18.7
81.07063	57.6
83.04976	16.3
83.08632	12.9
85.02912	23.1
85.06554	4.6
87.04500	2.9
91.03967	9.8
91.05482	20.9
93.07050	44.1
95.04966	5.6
95.08617	17.3
97.02897	23.3
97.06542	8.3
97.10178	1.6
97.15522	1.6
97.29611	1.5
99.04451	5.8
99.08099	3.0
100.58521	1.7
101.02367	4.9
103.03947	5.6
105.07031	11.9
107.04979	3.3
107.08591	19.3
109.02859	5.5
109.06493	3.1
109.10155	3.9
111.04436	4.0
111.08090	4.9
111.11665	1.9
115.03978	2.3
117.07054	10.4
119.08579	5.7
121.06514	3.3
121.10162	14.2
123.11702	4.1
127.03925	12.0
128.22029	1.7
129.05505	8.8
129.06993	3.2
131.08583	11.3
133.06477	1.6
133.10152	9.0
135.11732	8.7
139.11188	3.0
140.41997	1.9
145.04953	3.2
145.06476	2.1
147.11679	7.1
148.52382	1.9
149.09674	2.3
149.13266	26.2
151.11122	1.6
157.10222	1.7
159.11688	22.3
161.13266	3.3
177.12767	17.8
178.86798	1.6
179.14287	4.3
183.06522	3.5
195.13809	26.8
213.14793	4.5
219.13785	3.1
251.16359	1.8
261.14969	2.1
265.30026	1.7
269.17490	100.0
270.17822	1.9
297.16959	2.7
302.75400	2.0
311.18503	2.0
357.24707	1.6
377.19629	2.1
395.20209	2.8
413.21451	10.8
431.22791	9.6
431.28040	2.7
450.01239	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1339
Annotation	Ononin
Peak:m/z	Relative Intensity
57.03444	0.2
67.05490	0.5
68.89786	0.2
69.03432	0.4
69.07044	0.2
71.04984	0.3
79.05486	0.3
81.03423	0.3
81.07052	0.3
84.04504	0.2
85.02901	0.3
85.06539	0.2
91.05466	0.3
93.07024	0.5
95.08615	0.4
97.02892	0.5
97.06512	0.2
100.31963	0.1
105.07020	0.3
107.04957	0.2
107.08587	0.3
109.02905	0.2
109.06531	0.1
109.10147	0.4
119.08544	0.2
121.10121	0.2
127.03910	0.4
130.08527	0.1
133.06500	0.9
137.02351	0.7
145.10175	0.2
147.11713	0.3
148.08418	0.1
148.66837	0.1
159.04361	0.7
163.11183	0.1
163.97821	0.2
165.05511	0.2
165.09087	0.2
165.12729	0.3
167.07109	0.2
181.08609	0.1
183.06554	0.2
219.61287	0.1
226.06244	9.9
243.15904	0.4
254.05742	9.9
260.18765	0.1
269.08081	100.0
270.08389	1.2
431.13623	0.8
431.22549	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01876	0.3
57.03439	0.5
60.47642	0.2
61.02924	0.2
64.10355	0.2
67.05513	0.9
68.99790	1.8
69.03433	1.3
69.07053	0.3
70.87657	0.3
71.04991	0.5
73.02936	0.2
74.39484	0.2
79.05500	0.9
81.03417	2.4
81.07060	1.8
85.02908	1.8
86.09710	0.3
87.00824	0.6
91.05486	1.3
93.07059	0.4
95.04974	1.3
95.08633	0.3
97.02899	0.6
97.06554	0.3
99.04466	0.8
103.05457	0.4
105.01875	0.3
107.04937	0.5
107.58896	0.2
109.02897	1.2
109.06529	2.4
109.10161	0.4
111.04461	0.2
113.06019	0.4
114.11851	0.1
118.60251	0.1
119.04947	2.1
121.10221	0.2
123.04420	1.1
127.03925	1.8
131.04922	0.6
133.10086	0.2
135.04395	0.3
135.11661	0.3
137.05986	14.2
141.05472	9.1
145.04944	0.5
147.04410	0.4
150.03117	0.6
153.01866	0.3
153.05495	0.3
159.02919	0.5
160.15918	0.2
163.07542	0.4
165.05484	26.0
166.05785	0.2
173.11783	0.2
183.06537	100.0
184.06856	0.8
243.15955	0.2
269.08044	0.3
273.07562	0.2
287.09970	0.2
413.22501	0.2
431.22833	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
57.03442	0.5
66.59470	0.2
67.05503	0.4
68.99775	1.4
69.03419	1.1
69.49280	1.4
69.49694	0.5
79.05479	0.8
81.03434	1.8
81.07057	1.4
85.02904	1.3
87.00820	0.5
91.05476	1.2
95.04977	1.5
97.02933	0.4
99.04456	0.6
107.04977	0.5
109.02872	0.6
109.06528	2.0
116.57608	0.2
119.04961	1.6
123.04436	1.1
127.03911	1.9
127.28641	0.3
137.05988	13.3
141.05476	9.1
145.04958	0.5
147.04428	0.4
150.03088	0.4
159.02921	0.6
165.05487	26.4
183.06541	100.0
184.06879	1.0
231.04904	0.3
249.07704	0.3
269.07965	0.3
403.28479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98454	0.4
56.96574	1.0
69.03439	0.7
69.34025	3.3
70.06596	1.2
72.08141	0.4
79.05458	0.6
81.03455	0.4
81.07079	0.4
84.08160	0.7
85.02899	2.4
86.09711	0.5
91.05462	0.7
93.07047	1.7
97.02886	0.8
98.97596	1.2
103.05470	5.5
107.04959	1.7
109.02853	0.4
110.97592	0.8
116.98586	0.7
119.04986	0.6
120.08109	100.0
121.06479	1.4
127.03938	0.5
130.04991	0.4
131.04903	3.2
136.06200	2.6
140.07068	0.8
145.04878	0.4
147.04399	1.6
149.05980	1.5
166.08647	58.3
167.08919	0.5
184.95908	0.4
219.01741	0.8
237.02742	0.4
270.06268	0.4
413.74329	0.4
430.14713	0.6
430.21143	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.4
55.01875	13.3
57.03437	6.5
59.04308	1.1
60.04543	1.5
61.02935	6.5
64.29430	1.2
68.56097	1.2
68.99788	4.2
69.03081	2.0
69.03432	30.3
70.23956	4.5
71.05001	5.9
73.02933	9.7
73.03289	1.8
75.84473	1.4
81.03426	31.9
83.01360	1.5
85.02911	100.0
87.00836	35.2
91.03959	3.2
97.02901	41.1
99.04465	17.7
103.03973	1.4
105.01878	35.8
108.04485	11.3
109.02890	36.6
117.01865	4.1
126.05548	3.7
127.03926	82.2
129.01839	4.9
137.06009	1.9
145.04961	54.8
147.02882	3.5
159.02893	31.4
177.03943	2.3
189.04047	1.8
189.09140	5.9
213.03931	4.5
230.06621	3.3
231.05011	21.0
231.10170	2.0
248.07710	7.3
249.06082	2.5
269.08154	3.1
273.11353	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.0
55.01881	7.9
57.03446	7.5
61.02925	5.9
68.05865	1.4
68.99791	3.1
69.03433	35.6
71.04995	5.5
73.02925	9.0
79.05498	1.9
81.03422	30.9
81.07066	1.5
82.03757	1.3
83.04971	1.7
83.08608	1.6
84.08176	1.3
85.02913	100.0
86.09702	3.0
87.00838	40.8
87.04488	1.9
89.06036	1.5
91.03972	2.4
91.05476	3.0
93.07076	1.8
97.02900	40.1
99.04467	15.5
100.77953	1.1
103.03917	1.6
105.01871	52.0
105.07095	1.5
107.04964	47.9
108.04493	2.4
109.02896	32.0
109.06511	1.3
117.01898	3.2
117.05505	1.1
119.08600	6.7
121.06495	3.2
127.03929	71.1
129.01854	4.2
131.04919	19.3
131.08553	1.6
138.57805	1.0
145.04970	40.2
145.06229	1.9
147.02847	1.3
147.08069	9.8
149.05997	28.1
159.02905	20.2
165.09099	8.0
171.08076	3.2
173.05991	7.5
177.03987	1.5
189.03998	6.5
189.09109	22.1
193.12268	1.5
194.12630	2.8
207.10162	7.6
211.13383	2.2
211.26172	1.2
212.13689	5.4
213.03909	1.6
215.07050	2.9
231.05042	20.9
231.10098	8.1
249.06003	6.2
255.10374	1.9
273.11166	5.8
301.43082	1.1
430.21262	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	430.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.7
53.64436	2.9
55.01860	11.5
57.03439	4.6
60.05215	3.2
61.02921	5.1
69.03429	37.3
70.06586	6.9
71.04994	7.2
71.52926	4.8
73.02924	8.7
81.03416	30.5
81.07039	4.1
85.02909	100.0
87.00367	4.5
87.00838	36.2
95.08600	4.7
97.02902	34.4
99.04474	19.0
105.01880	36.5
108.04495	14.2
109.02891	37.4
117.01831	5.0
117.52242	3.3
119.08588	6.6
127.03918	73.6
129.01813	5.5
145.04967	45.8
147.02870	4.7
159.02879	25.5
185.10413	3.4
189.09131	4.3
192.10158	3.6
198.97995	3.2
231.04945	23.1
232.14255	3.3
248.07573	7.7
269.08188	14.4
285.07547	17.2
322.76364	3.5
383.58441	3.2
385.99512	3.4
430.16357	16.8
430.24863	4.8
446.77246	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	429.3729
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05496	3.1
56.65807	0.7
57.07077	16.5
67.05515	3.9
69.07065	4.5
70.12093	3.1
71.08282	1.0
71.08634	11.5
79.05477	1.4
80.69904	0.7
81.07059	6.0
82.83399	0.7
83.04972	0.7
83.08611	2.9
85.10183	6.6
91.05489	1.7
93.07053	1.8
95.08610	6.4
97.10171	1.0
98.20847	1.2
105.07011	2.4
107.08601	5.4
109.10148	4.4
111.04411	1.4
111.11688	0.6
119.08561	2.9
121.06474	0.9
121.10142	3.9
123.08073	1.0
123.11709	1.2
131.08571	1.9
133.10138	1.3
135.08044	4.0
135.11667	2.7
137.09625	9.1
139.07542	2.1
145.10121	2.1
147.08026	0.7
149.09627	13.3
151.07587	1.2
157.10114	1.2
158.10962	0.6
159.08102	0.9
159.11714	2.1
161.09659	1.1
162.06897	0.8
163.11182	21.7
163.12540	1.1
165.09116	100.0
166.09483	1.0
172.08766	0.9
173.09627	1.6
173.13280	1.6
175.11162	5.5
176.08310	2.4
177.09137	10.7
177.12744	2.5
180.63087	0.9
185.09691	0.7
186.10304	0.9
187.11229	3.7
189.09108	1.6
189.12729	2.0
190.09796	1.0
191.10652	10.7
191.14351	1.1
192.29639	0.7
201.12733	2.3
203.10710	2.1
203.14294	1.5
205.12241	10.7
206.79942	0.8
215.14389	1.5
219.13832	5.6
233.15407	1.7
247.16884	1.7
261.18573	1.2
275.20111	1.7
289.21622	1.2
303.23181	1.9
313.42395	0.6
317.24750	0.8
373.30872	1.5
378.53748	0.8
401.34320	2.1
403.94675	0.9
411.36081	3.5
429.37271	63.3
430.37820	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	429.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.05517	2.7
57.03439	4.8
57.07073	1.5
65.34244	0.4
67.05506	9.1
69.07076	2.6
71.05003	0.9
71.53577	0.6
79.05494	8.0
79.05921	0.8
81.03388	0.6
81.07064	9.9
83.08622	1.6
87.08113	0.8
91.05489	5.2
93.07052	10.5
95.04953	1.2
95.08611	8.6
97.06499	0.8
97.10159	0.9
98.98472	0.7
99.08125	0.7
105.07043	3.5
107.08598	6.4
109.06496	0.7
109.10148	4.0
111.08051	0.7
113.00023	100.0
117.07006	1.6
119.08576	3.1
121.10148	6.4
123.11703	1.7
131.08577	4.1
133.10120	3.0
135.11699	5.5
135.95586	0.5
137.09709	0.6
137.13274	1.1
145.10130	3.0
147.11685	2.4
149.13260	4.4
154.02548	0.8
155.01080	1.1
159.11708	2.9
161.13272	1.9
163.14827	2.8
169.02618	93.2
170.02985	0.6
173.13255	2.8
175.14865	0.7
177.16464	1.0
187.03680	0.6
187.14815	1.8
191.14317	0.5
201.16472	0.9
215.17989	0.6
233.19005	0.6
233.22707	1.3
243.21080	7.8
261.22165	19.7
275.23676	0.8
350.36221	0.5
372.34067	0.5
429.24194	3.1
429.29477	0.7
429.31497	0.5
429.37537	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	429.2122
Annotation	Carolenalin 4-O-beta-D-glucoside
Peak:m/z	Relative Intensity
53.03951	8.4
55.01862	5.8
55.05514	10.7
56.45515	1.5
57.03440	12.5
57.07063	1.5
58.26375	1.3
59.05014	1.6
60.20934	1.4
61.02921	2.5
65.03950	1.6
67.05509	15.2
69.03435	24.8
69.07059	5.6
70.06599	4.0
71.01339	1.4
71.04991	6.3
71.53622	2.6
73.02887	3.3
79.05490	14.0
81.03421	68.8
81.07064	20.7
83.04987	15.2
83.08620	14.2
84.04486	1.3
85.02909	27.0
87.00848	2.7
91.05487	20.1
93.07044	11.5
95.04978	17.1
95.08606	5.0
97.02899	46.0
97.06538	3.6
97.10177	3.4
99.04456	8.7
105.01864	4.5
105.07018	15.6
107.04965	9.5
107.07338	1.3
107.08601	8.8
109.02880	13.6
109.06548	2.2
109.10173	2.0
111.04446	6.0
111.08041	6.3
117.07032	2.3
119.08583	11.5
121.06519	2.3
121.10172	8.0
123.04401	1.8
123.11708	1.9
125.05950	1.3
125.09628	1.9
127.03930	19.4
129.05504	3.9
129.06985	6.4
131.04913	2.1
131.08571	7.5
133.06514	2.2
133.10153	5.1
135.11743	1.7
140.05298	17.0
145.04967	5.4
145.10106	2.8
147.03011	1.3
147.04388	1.4
147.08051	3.5
147.11673	14.0
149.05977	3.1
149.09615	4.0
157.10092	8.3
163.11185	7.0
165.12773	4.1
175.11214	9.0
181.12306	2.2
183.06522	2.8
184.08040	1.5
187.11220	1.4
189.09097	3.2
191.10611	2.1
193.12251	45.1
206.31552	1.3
211.13303	77.4
217.12268	1.3
227.12802	4.1
229.14297	2.4
231.04912	2.0
235.13322	3.3
249.15012	6.4
259.13290	1.6
267.15918	5.8
273.10971	1.4
285.17050	14.1
301.14093	1.7
309.16959	1.7
313.16251	2.8
319.15710	1.7
337.16547	3.1
355.17654	5.4
393.19293	3.2
397.43036	1.4
411.19989	7.6
429.21176	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	429.2123
Annotation	Mukaadial 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03935	10.9
55.01860	9.5
55.05521	22.0
57.03441	35.9
61.02932	44.9
65.03937	4.9
67.05228	2.8
67.05508	26.6
69.03436	24.5
69.07058	7.1
69.76956	9.8
69.77356	6.1
71.01356	6.4
71.05001	4.7
73.02919	17.4
79.05503	41.3
81.03423	92.7
81.07069	27.6
83.04987	8.1
83.08641	16.4
85.02910	43.3
91.03967	26.3
91.05481	29.3
93.07049	27.1
95.01328	6.8
95.04375	5.7
95.04974	100.0
95.08608	11.6
97.02903	33.1
97.06527	3.6
97.10150	7.7
99.04436	6.5
101.02384	5.3
103.03934	19.3
103.05468	3.2
105.07030	20.4
107.04971	21.1
107.08588	16.8
109.02929	18.5
109.06519	13.6
109.07216	2.9
109.10146	6.5
111.04420	6.3
111.08069	10.8
117.07024	12.1
119.04904	5.6
119.08601	21.6
121.06532	16.6
121.10175	7.8
123.04440	62.4
125.09626	8.6
127.03903	16.9
129.07007	19.4
131.04941	8.1
131.08553	12.1
133.06473	8.1
133.10129	10.3
135.04372	3.6
135.08067	10.6
135.11674	12.4
137.02417	3.1
137.05962	6.3
142.07829	4.0
143.08574	9.6
145.04970	6.4
145.06519	6.5
145.10130	15.9
147.04431	19.0
147.08046	9.4
147.11684	12.8
149.06000	7.5
149.09602	6.1
151.11249	3.9
153.09137	4.4
157.06541	3.3
157.10123	5.9
159.08006	3.9
161.05977	8.7
161.09566	5.8
161.13269	4.4
163.11191	29.9
171.11696	10.4
173.09648	9.6
175.11179	11.9
183.08083	3.6
185.13318	5.4
189.05461	9.3
189.12738	10.2
191.10535	4.6
193.12289	32.1
205.12199	9.4
207.13795	11.8
211.13232	10.7
213.12900	3.7
217.12201	13.0
219.13800	4.9
223.13347	4.8
231.13689	3.3
235.13326	97.0
247.13469	4.7
249.14871	12.1
253.14406	8.6
259.13348	22.7
265.08652	3.5
267.10516	5.2
267.15933	56.9
273.14856	33.8
277.14386	7.6
283.10141	5.1
283.13162	5.7
289.14246	7.1
301.14325	38.9
309.16965	58.5
319.15408	10.7
333.16916	6.2
345.16891	4.8
351.17966	7.1
357.17090	4.9
375.17996	34.3
384.12738	3.1
393.19113	26.9
411.20233	18.4
429.21152	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2124
Annotation	Carolenalin 4-O-beta-D-glucoside
Peak:m/z	Relative Intensity
53.03952	6.1
53.20467	1.1
55.01883	5.1
55.05269	1.2
55.05513	14.4
57.03445	14.4
59.35830	1.1
61.02921	3.8
62.42754	1.0
64.42756	0.9
66.75809	1.0
67.05176	1.6
67.05510	19.7
69.03081	1.8
69.03439	32.2
69.07079	6.2
71.01349	2.0
71.05001	7.7
71.52777	1.4
73.02912	3.3
74.79379	0.9
76.50137	0.9
79.05505	19.5
81.03427	77.2
81.07069	27.5
83.04994	16.1
83.08633	17.6
85.02914	22.1
85.06538	1.7
86.09711	2.0
87.04465	1.8
91.05491	24.9
92.16424	1.2
93.07053	14.1
95.04986	25.8
95.08614	9.2
97.02899	41.2
97.06538	4.4
97.10172	3.7
99.04459	7.9
99.08096	1.5
101.02386	2.8
101.97775	1.0
103.03965	2.3
105.07044	20.6
107.04964	8.0
107.08595	10.0
109.02886	15.8
109.06521	7.2
109.10169	3.7
109.42860	1.1
111.04458	8.2
111.08091	8.4
113.06030	1.2
115.05544	1.6
117.07036	3.4
119.04971	1.6
119.08606	15.2
121.06503	4.1
121.10152	7.1
123.04430	3.2
123.08064	1.9
123.11716	4.6
125.05956	1.5
125.09659	2.4
127.03944	15.3
129.05478	3.6
129.07037	10.6
131.08563	9.1
133.06494	4.9
133.10164	10.2
135.08078	2.8
135.11678	2.0
137.05969	2.0
137.09634	1.6
142.07774	2.3
143.08548	1.4
145.05005	2.0
145.10143	3.2
147.08067	4.0
147.11716	19.3
149.05936	1.2
149.09641	5.8
151.11192	1.6
153.12775	1.3
157.10159	10.6
163.11209	4.5
165.09001	1.2
165.12741	7.0
167.07088	1.1
171.11725	1.8
173.13116	1.5
175.11189	15.5
181.12221	2.6
183.06593	3.5
189.12874	1.7
191.10733	2.1
193.12265	49.0
201.07639	1.6
211.13316	74.2
212.13690	1.6
217.12225	1.8
219.13818	1.6
223.13190	1.2
227.12808	3.7
229.14386	4.9
235.13333	4.0
247.13274	1.6
249.14836	5.7
259.13147	1.1
267.16000	9.5
273.15021	2.9
277.14325	2.7
285.16949	17.3
291.15982	1.7
301.14246	3.1
309.16943	3.4
313.16528	2.6
319.15497	2.3
333.17282	1.3
337.16513	3.3
351.18179	1.9
355.17624	3.3
375.18149	1.7
393.19199	3.7
408.19141	1.1
411.19977	8.5
429.21255	100.0
430.21497	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.212
Annotation	Cichorioside N
Peak:m/z	Relative Intensity
53.03944	5.5
55.01866	4.7
55.05510	16.3
56.96562	3.7
57.03438	18.5
61.02915	7.3
67.05511	19.8
69.03435	29.1
69.07059	9.0
70.65469	2.3
70.65822	5.8
71.04982	5.9
73.02901	8.1
79.05495	20.2
81.03423	72.4
81.07053	25.4
83.04983	19.5
83.08154	2.6
83.08626	27.2
85.02906	23.7
85.06560	2.9
91.03945	6.3
91.05476	23.5
93.07057	11.7
95.04984	24.2
95.08616	12.3
97.02893	44.5
97.10174	5.4
98.97555	4.0
99.04454	7.4
101.02435	2.4
103.03960	3.2
105.07038	19.2
107.04939	5.9
107.08605	10.1
109.02874	11.9
109.06507	7.3
109.10151	4.3
111.04455	6.8
111.08096	10.5
115.03998	2.4
117.06986	3.6
119.08574	15.3
121.10149	9.5
123.08058	2.8
125.09621	4.7
127.03899	15.5
129.05490	5.5
129.06998	8.2
131.08571	12.7
133.10146	8.2
133.80652	2.2
136.06194	5.6
145.10126	3.4
147.08037	3.0
147.11688	13.7
149.02362	4.2
149.09621	4.6
155.08582	2.0
157.10144	8.1
163.11168	5.3
165.12808	5.3
171.11578	2.2
175.11205	12.3
183.06519	3.8
191.10577	3.3
193.05043	5.0
193.12254	58.8
211.13307	95.0
227.12886	4.0
229.07518	5.4
229.14363	7.0
231.13733	2.5
235.13228	3.2
237.07704	3.2
247.08661	2.8
249.14908	7.1
267.15976	7.5
283.15521	2.3
285.10104	4.9
285.16949	18.0
305.10715	4.1
313.16425	3.1
316.11948	3.3
334.11688	3.2
339.14352	4.7
355.17569	4.3
371.78232	2.0
393.19223	4.4
411.20270	5.0
429.11813	8.5
429.21225	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2123
Annotation	Mukaadial 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03945	9.6
55.01884	11.7
55.05511	13.6
57.03244	2.2
57.03445	25.2
57.78291	2.6
61.02929	48.6
61.21301	2.5
61.97363	2.5
64.51262	2.4
65.03959	4.8
67.05514	25.8
69.03435	25.6
69.07059	7.8
71.01353	5.1
71.04991	7.6
71.53691	3.4
73.02921	22.4
75.64674	2.3
75.73615	2.2
79.05500	30.3
81.03424	100.0
81.07063	22.5
83.04981	9.7
83.08626	19.1
85.02910	44.2
85.06569	2.7
91.03963	30.5
91.05476	30.3
93.07048	23.9
95.01318	3.3
95.04973	83.5
95.05572	5.3
95.08603	12.5
97.02897	39.2
97.06535	4.3
97.10176	8.8
99.04475	5.4
101.02399	7.6
103.03943	13.6
105.07044	26.9
107.04977	21.0
107.08606	16.5
109.02899	19.3
109.06524	9.7
109.10165	9.0
111.04430	4.9
111.08086	9.0
114.35471	2.1
117.07007	12.2
119.04942	3.9
119.08600	21.9
121.06520	14.1
121.10168	14.1
123.04439	48.4
123.08041	4.9
123.11742	4.3
125.06008	2.6
125.09663	5.9
127.03922	17.4
129.05453	2.6
129.06993	13.6
131.04939	5.2
131.08585	16.1
133.06534	7.5
133.10130	9.7
135.04431	4.6
135.08032	7.4
135.11722	7.6
137.06013	7.7
139.03900	3.7
142.07768	2.7
143.08563	8.0
145.04936	4.3
145.06462	3.7
145.10124	16.9
147.04407	17.1
147.08064	8.8
147.11716	14.0
149.02344	9.7
149.05991	5.6
149.09619	7.8
153.09087	5.1
157.10124	11.1
161.06003	6.4
161.09613	5.0
161.13237	2.8
163.11220	20.9
165.12770	5.4
169.10095	3.8
171.11728	8.0
173.09579	5.7
175.11240	7.5
185.13219	2.5
187.11229	4.0
189.05489	3.4
189.12730	9.0
191.10742	7.0
193.05038	4.9
193.12253	38.3
199.11111	3.1
201.12688	2.6
203.14333	2.6
205.12248	9.1
207.13799	8.7
211.13324	8.2
217.12233	9.5
217.56406	2.6
219.52074	2.3
223.13283	4.5
231.13873	3.1
235.13306	78.8
249.14996	12.2
253.14339	9.1
259.13324	21.7
267.15930	59.8
273.14865	33.2
276.93024	2.5
277.14346	9.7
279.16031	2.9
289.14322	6.8
295.15598	3.1
301.14426	30.9
309.16989	42.0
319.15305	11.4
333.16885	4.2
337.16519	3.6
351.17929	5.6
357.16745	2.8
363.17804	2.8
375.18036	28.4
385.09122	3.3
393.19073	17.5
411.20071	15.4
411.24951	2.9
429.11771	5.3
429.21362	24.8
442.88428	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	13.6
56.05037	2.3
57.07081	16.3
58.06599	3.7
60.04257	2.0
60.04531	21.8
62.26834	1.3
63.61840	1.2
64.67296	1.2
67.05505	4.4
68.05042	1.5
69.07064	2.4
69.86276	2.6
69.86669	2.3
74.06084	18.0
79.05503	2.6
81.03437	1.2
81.07053	4.7
81.35010	1.1
83.08616	3.0
86.06081	3.3
87.08110	55.6
88.07638	14.8
91.05485	2.1
93.07048	3.5
95.08617	3.5
98.20826	1.5
101.09638	1.4
113.00028	12.1
121.10165	2.3
131.08720	1.3
135.11684	1.5
142.12263	8.2
149.13339	1.4
169.02638	10.2
174.14911	13.1
183.41505	1.2
261.22125	3.5
262.25458	1.3
268.55020	1.4
280.26416	3.2
298.27386	3.6
324.29114	4.4
342.30109	8.8
396.34775	16.3
398.94873	1.2
428.17273	4.3
428.37402	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
55.01874	5.7
55.05499	1.3
57.03440	5.3
59.04995	1.0
61.02930	4.6
64.90298	0.6
67.05489	2.7
68.72367	0.7
68.99783	1.9
69.03436	22.7
69.07067	1.5
69.58897	0.6
70.06592	1.0
71.01351	1.4
71.04993	3.2
71.49289	1.0
73.02915	5.0
79.05482	3.1
79.52525	0.6
81.03426	22.3
81.07064	7.8
83.04987	2.9
85.02911	42.3
85.06548	1.1
87.00832	14.7
87.04449	1.2
91.03960	2.0
91.05485	7.2
93.07048	9.7
95.04976	21.1
95.05568	1.5
95.08591	1.0
97.02903	16.1
97.06544	1.2
99.04469	9.8
103.03932	2.1
103.05468	0.6
105.01875	14.1
105.07046	9.3
107.04958	2.5
107.08600	11.0
109.02888	21.6
109.06513	2.9
111.04440	0.8
111.08111	0.6
115.05483	0.8
117.01859	2.8
117.07023	2.9
119.08591	5.2
121.06528	3.9
121.10152	10.4
123.04411	0.9
123.08083	1.5
125.05994	0.8
127.03925	34.5
128.06258	1.0
129.01846	3.0
129.07048	1.2
130.07788	2.3
131.08598	0.7
133.06491	1.3
133.10144	1.8
135.08090	1.4
135.11707	6.1
137.05965	1.3
145.04970	15.8
145.10135	13.5
147.02876	2.0
147.08037	3.5
147.11703	0.8
149.05963	1.6
149.07137	0.7
159.02895	14.2
161.09682	0.7
163.11191	100.0
164.11566	1.1
165.09108	1.8
165.12790	2.0
167.07054	4.0
175.11227	2.7
181.12242	4.7
187.11147	0.9
189.03883	3.3
193.12326	1.6
205.12248	4.7
207.10245	0.7
211.13217	1.1
213.03922	2.1
223.13313	7.8
231.05022	10.2
233.08134	0.6
235.13297	1.1
236.02646	0.7
251.09288	1.2
252.04150	0.9
267.06512	5.3
267.16010	1.1
271.13379	1.8
289.14197	0.8
307.44363	0.7
393.15472	2.2
411.16510	1.8
429.21313	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	429.2119
Annotation	Mukaadial 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.70862	2.2
55.01870	6.9
55.05507	10.1
55.59021	2.4
57.03442	16.1
61.02930	19.4
67.05508	17.8
69.03437	14.9
69.07067	5.2
71.01351	5.3
71.53700	3.7
73.02914	7.9
79.05487	18.6
81.03422	49.2
81.04163	2.7
81.07058	18.1
83.04979	4.8
83.08629	10.0
85.02904	25.9
85.06573	2.6
86.09703	2.8
91.03944	9.7
91.05484	23.4
93.07056	20.6
95.01327	3.2
95.04978	59.0
95.08597	7.2
97.02917	18.0
97.06547	3.7
97.10161	5.7
99.04462	3.0
103.03957	10.8
105.07026	17.6
107.04951	16.7
107.08602	10.5
109.02895	8.5
109.06521	6.9
109.10239	3.5
111.04484	6.4
111.08143	2.8
117.07070	7.4
119.08587	11.1
121.02858	2.5
121.06504	9.6
121.10146	10.7
121.40183	2.1
123.04443	36.3
123.08062	4.6
125.09642	7.1
127.03922	12.0
127.52232	2.3
129.07002	7.5
131.04945	5.0
131.08577	9.0
133.06412	4.7
133.10135	5.7
135.08040	4.3
135.11703	6.1
137.05972	4.1
137.09579	2.7
138.09123	3.5
139.73936	3.0
145.06526	3.9
145.10135	13.7
147.04417	13.1
147.08055	6.3
147.11714	6.9
147.79916	2.7
157.10167	3.3
159.11676	3.8
161.06052	3.3
161.09659	3.2
163.11200	27.7
169.10208	2.7
171.11774	6.7
173.09663	5.9
175.11246	3.9
182.05032	4.1
183.05325	2.8
189.05550	5.2
189.12753	7.0
193.12303	17.0
200.52159	2.8
201.12601	2.6
205.12213	4.6
207.13757	5.8
211.13295	3.1
217.12306	6.6
223.13239	4.6
231.14050	2.8
235.13301	55.3
247.13373	4.0
249.14922	7.7
253.14467	8.2
253.29335	2.9
255.13783	3.5
259.13361	11.2
267.11002	3.6
267.15875	14.2
273.14798	22.1
277.14380	9.3
289.14471	3.9
301.14307	19.7
306.59903	3.0
309.16998	29.4
315.16174	2.9
316.90027	2.6
319.15533	8.8
337.16589	4.5
351.18240	5.4
375.17999	15.3
393.19125	16.3
411.20148	13.2
429.21063	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73600	0.2
55.05517	0.8
57.07076	0.5
58.97136	0.2
67.05512	0.5
67.94260	0.2
69.07072	7.1
69.15803	0.3
69.16209	2.1
69.33579	0.2
70.06599	0.2
73.06549	1.5
79.05501	0.4
81.07065	0.4
83.04988	0.6
83.08615	0.3
83.80483	0.2
84.08143	0.5
86.09710	100.0
87.10031	0.3
93.07044	0.3
95.08614	0.6
97.43735	0.2
98.20747	0.5
112.07625	0.9
119.08572	0.3
130.08635	0.2
147.11760	0.3
168.13879	1.5
186.14899	72.6
187.15286	0.5
214.14392	29.5
215.14633	0.3
243.63297	0.2
281.22229	0.2
299.23212	0.6
314.19611	13.6
315.20349	0.3
321.38156	0.2
327.22760	0.5
327.39740	0.2
399.28561	9.6
427.27997	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95084	0.6
53.03930	2.2
55.01860	2.9
55.05274	1.2
55.05513	16.2
57.03431	4.0
59.04999	3.2
61.02924	5.0
67.05499	4.0
69.03089	1.0
69.03432	16.1
69.07075	5.9
71.04975	2.2
71.53864	0.7
73.02911	2.3
74.70383	0.6
79.05504	3.4
81.03431	5.4
81.07058	7.3
83.04982	22.5
83.08611	3.3
85.02906	40.4
85.06531	1.9
86.09672	0.9
87.04484	3.6
89.08012	0.6
91.03955	1.4
91.05483	5.5
93.07045	6.6
95.04375	1.4
95.04973	23.5
95.08616	7.7
97.02895	11.3
97.06516	1.9
97.10182	0.7
99.04453	3.5
101.06020	13.6
102.15955	0.7
105.07014	6.9
107.04955	1.4
107.08588	9.8
109.02892	4.2
109.06518	7.8
109.10163	8.7
111.04435	2.4
113.05978	0.8
115.03957	1.1
117.07040	2.3
119.04932	2.1
119.08598	7.5
121.06519	3.7
121.10155	6.2
121.46028	0.8
123.08072	2.1
123.11691	4.5
125.05975	1.6
127.03922	8.7
129.07014	1.0
130.07811	1.0
131.08549	5.2
133.06482	0.9
133.10146	4.4
135.08057	10.9
135.11687	7.0
137.05948	1.8
137.09615	1.7
137.13231	1.0
139.07529	1.2
143.08586	1.6
145.04973	5.0
145.10117	6.8
147.08029	1.2
147.11685	6.1
149.09633	4.4
151.07564	1.6
157.10129	1.5
159.08049	3.1
159.11659	4.1
161.09621	2.6
161.13254	2.9
163.07524	1.6
163.11182	6.1
165.12755	57.3
167.07056	0.9
169.10103	0.8
171.11661	3.0
173.09604	2.9
173.13254	1.7
175.14882	1.6
177.05542	1.0
177.09132	5.9
177.12801	1.1
177.16330	1.0
179.10704	1.0
185.13130	1.1
187.11165	1.8
187.14803	4.0
189.12773	5.5
191.10703	6.5
191.14255	1.0
201.16368	1.4
205.15881	6.7
207.13800	0.7
211.14793	1.2
217.15948	1.3
219.13788	0.8
219.17520	2.1
220.87442	0.7
229.15886	5.4
231.17412	0.8
233.11845	0.8
235.16876	1.1
247.16946	32.8
265.14514	7.4
265.17987	100.0
266.18433	1.3
360.58124	0.7
390.26648	0.7
409.22122	1.8
427.18210	2.4
427.23541	12.7
454.06619	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95084	0.6
53.03930	2.2
55.01860	2.9
55.05274	1.2
55.05513	16.2
57.03431	4.0
59.04999	3.2
61.02924	5.0
67.05499	4.0
69.03089	1.0
69.03432	16.1
69.07075	5.9
71.04975	2.2
71.53864	0.7
73.02911	2.3
74.70383	0.6
79.05504	3.4
81.03431	5.4
81.07058	7.3
83.04982	22.5
83.08611	3.3
85.02906	40.4
85.06531	1.9
86.09672	0.9
87.04484	3.6
89.08012	0.6
91.03955	1.4
91.05483	5.5
93.07045	6.6
95.04375	1.4
95.04973	23.5
95.08616	7.7
97.02895	11.3
97.06516	1.9
97.10182	0.7
99.04453	3.5
101.06020	13.6
102.15955	0.7
105.07014	6.9
107.04955	1.4
107.08588	9.8
109.02892	4.2
109.06518	7.8
109.10163	8.7
111.04435	2.4
113.05978	0.8
115.03957	1.1
117.07040	2.3
119.04932	2.1
119.08598	7.5
121.06519	3.7
121.10155	6.2
121.46028	0.8
123.08072	2.1
123.11691	4.5
125.05975	1.6
127.03922	8.7
129.07014	1.0
130.07811	1.0
131.08549	5.2
133.06482	0.9
133.10146	4.4
135.08057	10.9
135.11687	7.0
137.05948	1.8
137.09615	1.7
137.13231	1.0
139.07529	1.2
143.08586	1.6
145.04973	5.0
145.10117	6.8
147.08029	1.2
147.11685	6.1
149.09633	4.4
151.07564	1.6
157.10129	1.5
159.08049	3.1
159.11659	4.1
161.09621	2.6
161.13254	2.9
163.07524	1.6
163.11182	6.1
165.12755	57.3
167.07056	0.9
169.10103	0.8
171.11661	3.0
173.09604	2.9
173.13254	1.7
175.14882	1.6
177.05542	1.0
177.09132	5.9
177.12801	1.1
177.16330	1.0
179.10704	1.0
185.13130	1.1
187.11165	1.8
187.14803	4.0
189.12773	5.5
191.10703	6.5
191.14255	1.0
201.16368	1.4
205.15881	6.7
207.13800	0.7
211.14793	1.2
217.15948	1.3
219.13788	0.8
219.17520	2.1
220.87442	0.7
229.15886	5.4
231.17412	0.8
233.11845	0.8
235.16876	1.1
247.16946	32.8
265.14514	7.4
265.17987	100.0
266.18433	1.3
360.58124	0.7
390.26648	0.7
409.22122	1.8
427.18210	2.4
427.23541	12.7
454.06619	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96580	0.2
57.03429	0.2
57.04546	0.5
67.05486	0.2
69.03412	0.3
69.56802	0.7
69.57231	0.8
70.06594	0.4
71.04958	0.3
72.08176	0.3
81.03413	0.3
81.07064	0.5
83.04951	0.3
85.02905	0.9
91.05472	0.4
93.07049	0.3
94.04060	1.2
95.04921	0.4
95.06091	0.2
98.97589	0.4
105.07047	0.5
107.08620	0.4
109.02903	0.4
109.10143	0.2
110.07156	0.2
119.08600	0.3
121.10152	0.4
123.06674	0.9
123.11708	0.2
125.09637	0.2
127.03861	0.3
133.10132	0.4
145.02771	0.4
147.04396	0.9
148.06250	0.3
150.07755	100.0
151.08064	0.5
177.05469	0.8
179.03406	0.8
183.98175	0.2
223.06349	0.2
229.13397	0.4
246.11334	0.2
247.14511	0.3
247.16875	0.3
251.09148	0.4
265.07520	0.8
265.15338	0.6
282.12024	1.2
283.08456	1.0
295.11514	25.3
307.08533	1.1
367.10715	0.5
383.26974	0.5
427.13516	3.5
427.19586	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	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03928	3.1
55.05521	14.9
56.58607	2.6
57.07074	7.4
67.05504	36.4
69.07072	57.3
69.46984	18.1
79.05502	20.8
81.07059	97.5
83.08620	18.4
85.06557	4.1
89.06051	4.1
91.05487	17.8
93.07051	46.2
95.08612	100.0
97.10172	9.8
102.99326	2.4
105.07040	28.9
107.08596	53.8
109.10162	71.0
111.11736	21.3
117.07040	4.5
119.08585	39.7
121.10153	51.6
123.11710	35.9
125.09679	2.8
131.08548	12.1
133.10117	31.3
135.11708	36.7
137.09618	5.1
137.13234	15.4
139.11176	4.5
143.08556	3.0
144.09251	3.1
145.10107	13.7
146.81218	2.8
147.11702	24.7
149.13277	29.0
151.11182	7.7
151.14818	4.9
157.10155	4.0
159.11710	14.0
161.13307	17.0
163.14847	14.7
171.11705	4.3
173.13287	12.7
175.14821	17.7
177.16412	16.1
185.13298	4.8
187.14809	11.5
189.16403	14.0
191.17931	10.3
195.17487	15.9
201.16444	6.9
203.18039	12.5
213.16420	5.2
215.17941	8.2
217.19498	15.2
227.17897	2.8
229.16068	2.8
229.19453	5.2
231.21159	4.6
233.19073	4.3
239.14856	2.8
243.20976	5.4
245.22580	3.6
255.21114	3.5
257.22696	3.7
259.24240	7.4
263.23428	2.8
269.22708	2.8
271.24274	4.5
275.23596	3.6
283.24200	4.6
313.19870	3.0
365.31882	3.7
407.32330	6.5
407.37454	16.9
425.21545	4.5
425.38147	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	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
52.57094	1.8
53.03946	2.3
55.05508	11.9
57.07062	6.6
67.05511	22.4
69.07071	33.0
70.70945	2.5
70.79114	4.6
79.05502	13.2
79.30361	1.9
81.07063	61.5
83.08619	15.0
91.05487	13.4
93.07059	36.7
95.05037	2.1
95.08611	100.0
97.10153	3.6
105.07040	23.2
107.08604	68.9
108.18070	1.9
109.10165	73.6
111.08102	4.0
111.11726	8.1
112.77571	1.9
117.07037	3.4
119.08578	35.2
121.09316	4.2
121.10150	57.0
121.11014	3.1
121.40181	2.1
123.11722	40.2
131.08559	7.9
133.10144	37.7
135.11693	36.7
137.13252	16.9
145.10118	14.7
147.11697	26.4
149.13258	27.7
151.14819	3.7
157.10153	4.3
159.11659	15.3
161.13249	19.3
163.14841	23.7
171.11742	3.3
173.13254	14.3
175.14828	20.0
177.16394	14.6
179.17979	2.4
185.13342	4.0
187.14771	12.9
189.16441	20.2
191.17996	9.8
194.30489	2.0
199.14842	2.6
201.16447	10.2
203.17966	9.7
205.19467	10.9
207.17476	9.1
213.16458	2.4
215.18008	10.2
217.19548	17.2
219.17473	2.6
219.21121	5.1
227.18005	3.9
229.19536	8.0
231.21025	12.4
233.19058	4.0
241.19708	2.4
243.21092	17.2
245.22658	15.2
247.20642	2.7
255.21092	4.2
257.22684	9.6
259.24234	5.6
261.22101	6.6
269.22595	12.9
271.24210	11.9
273.25714	4.0
283.24228	4.7
285.25870	7.4
287.23715	3.6
297.25760	2.9
311.27240	6.7
315.27045	2.4
323.27316	3.2
329.28470	10.5
407.36688	30.7
425.37796	99.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05500	10.3
57.07074	2.8
67.05509	19.3
69.07065	23.9
71.17822	5.6
79.05486	7.9
81.07056	45.9
89.06039	4.7
91.05472	8.4
93.07056	23.4
95.08607	100.0
95.96236	2.5
97.10165	5.8
103.85818	2.3
105.07030	16.6
107.07967	3.4
107.08609	39.8
109.10159	56.4
110.14677	2.1
111.08072	18.4
111.11723	11.8
119.08572	21.2
121.10144	27.7
123.11695	18.8
131.08591	3.1
133.10155	16.8
135.11685	28.9
137.13258	17.3
139.11191	4.3
145.10126	8.2
147.11699	10.6
149.13258	22.7
154.69255	2.8
159.11720	10.4
161.13229	18.1
163.14813	10.8
165.12837	3.0
173.13286	5.7
175.14795	8.4
177.16379	9.6
187.14803	2.6
189.16396	15.4
191.17960	9.5
193.15871	4.6
195.17444	10.2
201.16403	6.9
203.18002	9.1
205.19516	16.5
207.17406	5.6
215.17976	3.5
217.19577	13.7
219.17464	7.5
219.20937	2.7
229.19516	5.0
231.21123	21.2
233.18939	3.9
243.21181	3.5
245.22618	3.6
247.20511	2.9
257.22699	6.3
259.24170	12.4
260.72162	2.2
261.22101	5.9
261.85648	2.5
269.22751	7.5
271.24210	8.5
285.25723	6.6
311.27411	2.5
315.26886	2.6
352.57385	2.6
401.45096	2.8
407.36670	7.0
425.21750	3.1
425.37784	51.6
426.38074	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	425.1808
Annotation	Ainslioside
Peak:m/z	Relative Intensity
53.03930	7.3
55.05503	9.6
57.03410	3.4
57.41195	2.4
59.65985	2.9
62.28930	2.5
65.03928	3.5
67.05481	6.0
69.03451	15.8
69.07072	4.3
69.31673	5.3
69.32072	16.7
71.04967	3.8
72.29327	2.8
72.90416	2.7
74.50160	2.5
79.05482	3.9
81.03407	8.3
81.07050	7.5
83.04982	14.6
85.02907	33.1
87.00851	2.9
87.04448	4.8
87.27911	2.9
87.63065	3.0
91.05477	10.8
93.07038	5.7
95.04957	3.3
97.02879	7.4
97.06545	3.7
98.21503	3.7
99.04447	21.5
103.03941	25.7
103.05447	3.2
105.01872	5.5
105.07021	10.1
107.04949	9.1
107.08579	7.3
109.02373	2.3
109.02893	27.9
109.06511	9.0
109.10144	3.3
111.04460	6.6
117.06995	3.8
119.08591	9.6
121.06537	7.1
121.10208	2.7
123.08091	8.9
127.03929	30.1
129.06989	5.1
131.08571	7.8
133.06480	4.6
133.10178	4.4
135.08069	100.0
142.07819	4.9
143.08560	7.5
144.09373	3.6
145.04999	6.3
145.06390	4.3
145.10095	8.2
147.08052	12.3
147.11703	3.7
149.09637	5.0
151.07535	9.2
156.09351	11.2
157.10083	7.7
159.08089	15.3
159.11714	12.8
161.09595	10.0
163.07533	4.6
169.10121	4.2
171.11673	13.0
172.08836	11.9
173.09636	42.6
175.07516	6.2
175.11140	5.9
184.09042	2.8
185.09688	5.5
187.07568	3.7
187.11217	19.5
189.12794	11.2
199.11198	25.0
201.12712	5.7
203.10651	6.5
207.06454	4.0
212.08328	5.9
215.10704	28.5
217.12225	13.3
227.10707	24.4
233.11723	82.6
245.11751	68.7
245.14063	5.3
263.12805	74.4
339.15390	3.4
371.14764	7.1
389.15964	3.1
425.16608	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	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.92583	2.5
55.05514	7.8
57.07069	5.8
58.49462	2.5
61.97451	2.3
62.66073	2.6
65.44375	2.3
67.05512	20.1
67.05819	3.9
67.16390	2.5
69.07072	26.4
79.05499	8.4
81.07063	48.2
83.08624	7.1
91.05488	7.6
93.07042	29.7
95.08613	100.0
97.10197	4.7
105.07065	19.2
107.08601	46.3
109.09462	4.7
109.10165	55.3
111.08086	9.5
111.11714	7.0
119.08590	17.5
121.10132	34.0
123.11706	29.3
125.13236	2.8
126.04532	2.5
131.08604	4.0
133.10155	18.3
135.11699	24.9
137.13264	14.6
139.11192	5.8
145.10127	6.5
147.11719	20.9
149.13298	24.1
151.14812	2.8
159.11685	9.2
161.13246	14.4
163.14798	12.0
173.13216	5.8
175.14847	10.5
177.16368	10.6
187.14841	5.8
189.16418	8.3
191.17960	5.4
193.15938	3.5
195.17416	5.8
201.16380	6.3
203.17973	3.5
205.19464	4.0
215.17931	3.8
217.19479	6.0
219.17462	5.7
219.21080	4.0
227.18079	4.6
229.19485	3.4
231.21136	40.2
243.21080	7.0
257.22647	8.1
259.24167	14.0
269.22629	5.0
271.24271	13.8
285.25824	5.8
287.23871	2.9
367.33527	3.7
407.36627	10.5
425.37778	75.1
425.45831	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	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05507	6.1
57.07079	2.4
67.05190	1.5
67.05515	17.8
69.07074	18.8
72.64896	1.3
75.65122	1.3
79.05503	7.0
81.07056	35.7
83.08635	5.6
91.05477	5.3
93.07049	19.4
95.08611	64.6
97.10155	4.9
105.07040	16.8
105.07711	2.2
107.08592	34.2
109.10164	50.4
111.08069	2.0
111.11708	5.8
119.08586	23.6
121.10152	31.2
123.08051	2.4
123.11713	20.2
131.08592	3.4
133.10127	18.0
135.11681	23.1
137.09673	1.8
137.13235	14.6
145.10147	5.9
147.11696	14.6
149.13266	13.0
151.14720	2.1
159.11639	6.8
160.44701	1.5
161.13223	12.8
161.45764	1.4
163.14828	10.5
172.05704	1.3
173.13251	5.7
175.14806	8.3
177.16373	9.6
179.14403	3.6
181.03436	1.7
187.14818	4.7
189.16394	17.0
191.17990	20.4
201.16388	4.4
203.17970	12.5
205.19536	11.2
207.17517	5.5
215.17981	6.5
217.19521	11.9
219.21129	2.4
229.19553	5.3
231.21123	4.1
233.19037	6.2
241.19603	2.0
243.21158	4.8
245.22676	13.3
247.20641	11.2
255.21159	3.3
257.22638	2.5
259.24258	5.2
261.22174	3.9
269.22824	2.5
271.24268	6.9
285.25931	4.5
287.23898	1.9
329.28687	1.6
339.30771	1.6
407.36758	24.5
425.37805	100.0
426.38068	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	425.1805
Annotation	(-)-Ixerin B
Peak:m/z	Relative Intensity
53.03933	6.7
55.01863	3.6
55.05500	8.6
57.03426	4.0
63.25210	2.3
67.05504	12.5
69.03432	18.7
69.06641	1.9
69.07038	4.8
70.06572	6.5
71.04996	5.0
71.53692	2.2
73.42725	1.9
74.63939	2.1
79.05479	7.5
81.03418	6.3
81.07046	8.7
83.04987	39.8
85.02916	16.4
87.00837	2.6
91.05482	8.8
93.07034	7.3
95.04959	5.3
95.08614	4.6
97.02912	15.8
97.06542	5.9
99.04474	14.0
103.03943	2.6
105.07008	9.0
107.04980	3.6
107.08598	6.2
109.02876	19.5
109.06547	2.8
109.10143	11.2
110.10551	3.0
111.04423	4.2
111.08083	3.1
115.05448	2.8
116.13326	1.9
117.07010	6.7
119.08553	8.1
121.06532	4.7
121.10172	4.2
123.04374	3.2
123.08080	5.3
127.03919	21.9
128.06204	4.6
129.07045	3.6
131.08575	7.4
133.06491	3.1
133.10097	4.6
135.08060	68.2
136.07556	2.3
137.05981	6.7
139.07495	2.5
139.11205	2.4
141.06918	3.5
141.09068	3.0
142.07756	10.0
143.08559	9.7
145.04883	2.5
145.06480	9.9
145.10168	3.4
147.08054	7.6
147.09206	2.6
147.11763	2.3
149.05975	3.4
149.09587	9.2
153.06978	5.2
155.08546	7.1
156.09340	13.1
157.06461	3.6
157.10139	10.6
158.07272	5.5
159.08052	10.6
159.11658	6.9
161.05977	2.9
163.07561	3.9
164.48198	2.6
165.09142	2.2
166.07758	5.9
167.08533	2.6
168.09335	7.8
169.06477	3.8
171.08014	14.2
171.11650	12.0
172.08842	7.8
173.09662	14.7
173.11787	4.7
175.07542	7.6
175.11153	3.2
177.05513	4.6
177.09160	10.6
181.10130	7.7
183.11687	8.6
184.08780	7.5
185.09575	16.0
187.11185	16.5
189.03973	2.6
189.09082	4.5
189.12698	4.4
191.08263	3.3
195.07896	2.6
197.06046	3.8
199.11197	46.1
203.10684	26.6
204.56488	2.3
207.10225	5.4
209.09573	12.3
211.07587	2.8
212.08269	14.9
213.09033	2.4
215.10699	87.6
217.12221	7.5
227.07225	4.1
227.10684	62.6
227.12918	3.2
229.14354	17.7
231.15848	3.6
233.11758	35.4
245.08078	5.4
245.11745	100.0
263.12726	36.8
303.12314	3.1
333.13260	8.7
339.15442	3.6
349.09357	2.7
371.14951	16.9
389.16046	4.9
413.26254	2.9
425.13940	2.4
425.18097	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	425.1806
Annotation	Ainslioside
Peak:m/z	Relative Intensity
53.03952	4.0
55.05501	6.6
66.78497	3.0
69.03423	11.7
69.18179	32.2
75.49362	2.7
79.05458	3.9
83.04988	30.5
83.62794	3.6
85.02884	4.8
93.07040	3.5
97.02918	10.9
97.06516	4.5
99.04458	14.4
103.03930	4.0
105.07024	4.4
107.08592	6.5
108.75295	3.2
109.02882	14.7
121.06487	5.3
123.08109	3.6
127.03950	11.2
128.06229	3.4
129.07059	4.0
131.08627	5.2
135.08058	66.2
141.06938	4.1
142.07782	5.8
143.08575	9.1
147.08080	5.0
149.09615	9.2
149.52280	4.2
153.07018	5.6
155.08514	4.6
156.09312	8.9
157.10152	9.7
158.07245	3.7
159.08072	7.7
159.11739	6.5
165.07018	3.9
166.07811	4.2
168.09317	4.0
171.08058	12.1
171.11674	12.1
172.08847	5.8
173.09621	11.4
175.07588	4.6
181.10118	6.4
183.08131	3.6
183.11740	9.4
184.08836	8.6
185.09627	12.5
187.11188	13.8
197.09657	4.0
199.11198	45.4
201.12784	4.6
203.10619	22.6
209.09634	10.4
212.08372	14.4
215.08646	6.2
215.10695	93.8
217.12183	5.8
227.10683	58.8
233.11754	35.9
245.11755	100.0
263.12781	23.9
371.14893	21.3
381.23953	4.8
425.25980	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.114
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	2.0
61.06898	0.7
69.03421	0.9
69.38768	1.0
69.39178	3.7
70.99837	1.1
75.83381	0.6
81.03413	1.3
82.99862	2.5
84.96032	0.9
85.02905	1.4
97.02915	1.7
98.20763	1.3
98.97587	7.1
101.00278	1.2
101.00892	17.3
109.02889	1.1
110.97596	1.7
113.00874	5.0
116.98620	1.0
119.01923	13.7
124.99133	1.2
127.02425	4.2
128.98616	1.3
129.00380	1.0
131.01906	8.4
132.99817	0.6
133.03429	0.9
137.03009	0.7
139.02417	1.7
143.00146	1.7
143.01910	39.3
144.02086	0.8
145.01704	0.7
145.03473	9.1
146.99698	1.0
147.01407	0.9
147.04398	1.2
153.04015	1.2
155.01904	17.6
157.03485	6.3
158.99644	2.7
159.03290	0.7
161.02975	36.3
167.01891	10.8
169.03476	3.9
170.99734	0.8
171.05028	1.5
173.01550	0.9
173.02985	17.0
175.04524	1.2
177.00719	0.9
179.01903	4.9
179.65825	0.6
181.03453	0.8
184.04532	0.9
184.97539	0.7
185.02969	32.0
187.04546	4.0
189.00748	1.2
191.02281	1.2
191.04008	3.4
197.02971	12.0
203.02406	0.5
203.04018	12.9
205.00189	0.8
209.03029	1.5
215.04028	6.5
217.05611	0.7
219.01762	2.6
220.04550	0.6
221.05251	1.5
227.04028	8.5
237.02841	1.3
239.04097	1.9
245.05093	100.0
246.05235	2.2
251.04378	1.6
257.05121	5.7
263.06143	24.3
269.05374	2.0
275.01108	0.6
275.06134	13.4
279.04004	0.8
289.75717	0.7
293.07193	3.0
305.01883	1.1
305.07230	10.5
309.08469	1.1
317.07214	1.4
335.08371	3.8
355.48871	0.7
365.09427	8.6
366.09616	0.7
381.10831	1.5
383.09671	0.9
425.11398	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	425.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87595	1.6
55.05507	4.6
55.18527	1.4
56.33204	1.6
67.05518	7.8
68.18913	1.5
69.07051	3.5
70.06598	1.8
71.15245	2.3
79.05468	3.5
81.03395	1.5
81.07069	11.3
83.08628	1.8
83.82881	1.3
85.02934	3.5
85.49287	1.7
91.05495	2.0
93.07048	4.2
95.08598	7.9
96.08957	2.4
97.69406	1.3
105.07028	5.2
107.08586	4.3
109.10152	5.9
114.41254	1.4
119.01861	1.6
119.08595	3.1
121.10154	3.6
127.03926	1.9
133.10112	3.0
135.11673	3.4
143.01921	3.2
145.10146	2.9
147.11678	1.8
149.09605	1.5
149.69449	1.6
159.11682	1.9
165.09068	2.0
173.13240	1.7
176.98595	1.7
181.15123	1.9
219.12083	2.0
219.17238	1.4
243.04773	9.2
245.06511	7.2
245.08633	1.5
258.53558	1.9
287.03741	67.6
289.05310	65.3
333.09009	2.0
381.18896	7.4
424.36346	2.2
425.17834	100.0
425.25116	13.1
425.36938	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	424.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09256	2.9
55.05512	13.6
56.96554	3.5
57.03434	3.7
64.11064	3.4
67.05489	5.4
69.03422	8.3
69.07051	7.1
70.06610	3.5
71.52634	3.8
72.08152	5.4
74.09694	3.7
79.05486	5.7
81.03401	4.2
81.07052	9.1
83.04969	10.5
83.08611	11.6
84.08112	3.3
85.02899	19.8
85.06541	3.4
86.09697	34.8
91.05467	6.1
93.07033	9.3
95.04980	33.1
95.08597	7.5
97.02890	5.3
97.06509	16.4
98.97552	10.6
99.04437	8.6
105.07071	14.2
107.08604	17.1
109.06520	12.6
109.10143	8.8
110.97538	4.0
111.08047	4.2
115.07549	22.8
116.98639	4.7
119.04954	6.7
119.08562	4.4
120.08149	3.3
121.10144	27.8
122.05952	3.1
123.08066	3.4
123.11692	3.9
131.08542	5.3
133.10123	25.1
136.07655	3.9
137.05960	4.6
140.07047	2.7
145.10143	5.2
146.11746	19.1
147.04436	16.8
147.11665	14.2
149.13242	4.0
151.11176	11.5
153.09140	16.1
158.05988	9.2
163.14839	6.7
167.06993	2.9
167.14311	13.7
173.13255	16.4
174.88666	2.7
175.14758	4.2
175.37230	3.1
176.07042	7.7
177.05367	3.9
191.14372	20.3
209.15372	100.0
219.01808	4.1
227.12903	4.2
227.16417	46.4
234.98837	3.5
237.02678	6.2
244.09746	30.3
283.06107	3.3
289.63416	3.8
424.16940	3.3
425.07809	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	425.097
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	21.6
66.60552	1.1
69.03416	4.2
69.61050	5.5
70.06586	2.0
70.98121	2.3
73.02909	2.5
82.99833	2.0
84.96040	6.1
85.02889	7.8
86.09703	1.7
97.02885	7.3
97.96828	1.4
98.97590	100.0
101.00885	19.4
106.17831	1.3
109.02899	1.5
110.97574	26.9
112.99136	6.4
113.00858	4.4
116.98627	22.5
119.01916	12.3
121.06510	1.4
124.99101	3.7
126.97020	1.4
127.02443	3.4
127.03915	1.6
127.26274	1.4
127.97299	1.1
128.98607	18.8
131.00162	3.9
131.01910	6.4
133.03419	1.5
134.99654	4.0
137.04570	1.3
137.05968	1.4
139.02367	2.3
139.03896	1.6
140.98602	3.7
143.00240	6.5
143.01901	31.2
144.02013	1.3
144.98096	2.3
145.03473	6.7
145.04915	1.4
146.99625	4.9
147.03336	1.8
147.04337	6.3
152.91187	1.2
152.98592	1.9
155.00191	4.6
155.01904	13.4
156.98019	1.5
157.03517	6.8
158.98418	2.4
158.99632	14.8
159.03270	1.4
161.01328	2.3
161.02988	31.1
167.01930	10.1
169.03484	4.7
170.99661	8.6
171.04918	1.2
172.97652	1.4
173.01231	19.9
173.02946	14.4
174.03606	1.6
174.99127	1.4
175.02705	1.6
175.04538	2.1
177.00723	7.4
179.01967	4.8
183.04202	2.7
185.01329	2.5
185.02948	27.9
187.02789	1.7
187.04543	3.2
188.66286	1.3
189.00710	5.8
189.02339	1.4
189.04335	1.4
191.02289	5.2
191.04010	3.3
197.03061	9.1
201.00731	7.3
203.02243	2.5
203.04002	12.6
205.03728	2.0
207.01649	1.7
209.03064	1.3
210.87119	1.4
215.03958	4.4
219.01773	44.6
221.03296	12.0
221.05124	2.2
223.04790	2.2
227.03941	8.1
237.02827	39.2
239.02245	1.6
239.04396	12.8
245.05107	86.8
246.05156	2.0
251.04428	2.7
257.04993	5.3
259.05014	1.3
261.02823	3.0
263.06299	18.4
266.93109	1.3
269.05585	3.1
272.06454	1.3
273.02682	3.1
275.06171	10.1
291.07443	3.0
293.07422	2.5
293.10739	1.6
299.04407	1.5
305.01678	2.4
305.07581	7.6
309.08798	6.0
309.11954	1.4
316.23105	1.4
335.07901	2.9
337.08087	1.9
365.07486	41.4
366.07809	1.7
381.10724	4.9
383.08597	47.3
383.13431	3.0
425.09671	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	424.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.2
55.05495	1.1
56.96564	5.4
57.03425	3.2
58.99583	0.9
61.02923	2.0
66.86154	0.9
67.05495	1.1
69.03429	8.6
69.07069	2.9
69.84460	3.6
69.84879	1.7
70.06597	2.4
70.07417	1.0
71.04996	1.4
72.08145	3.2
73.02923	1.0
76.02221	1.4
78.04729	1.5
79.05459	1.4
79.47838	0.9
81.03415	2.6
81.07045	1.9
84.04501	2.9
84.08146	1.3
85.02904	19.4
85.06542	2.2
86.09702	3.8
87.04470	1.2
90.05549	1.1
91.03944	1.0
91.05482	3.1
91.64802	1.0
93.07032	3.0
95.04981	2.5
97.02912	6.7
97.06541	1.9
98.06017	1.2
98.97587	17.6
99.04468	2.2
99.05577	2.8
101.04224	3.6
102.04569	2.1
102.24001	1.0
103.05447	4.2
107.04958	3.8
110.97563	3.2
111.04445	1.4
116.07079	1.5
116.98621	4.7
119.04928	2.4
120.08110	1.6
121.06538	7.2
123.04413	3.2
127.03928	6.0
128.98605	1.9
130.04980	2.2
131.04927	5.5
131.07091	1.0
132.10173	2.9
134.03644	1.8
136.06187	35.4
136.07420	1.7
137.05978	7.8
138.05452	1.3
140.04662	1.7
140.07104	1.6
141.06583	1.0
143.00186	2.1
145.02861	1.3
145.04933	3.5
145.06075	4.5
147.04413	7.3
149.06000	12.5
152.04616	1.2
155.07036	2.0
158.99632	3.8
159.04413	4.6
161.04723	1.4
163.03949	2.2
167.07043	100.0
170.99612	1.1
172.04263	6.8
173.04628	5.3
176.06995	1.5
177.00673	2.1
177.05476	32.0
183.29314	1.1
191.07100	1.2
193.08647	1.5
197.08086	2.7
201.00729	1.4
209.06082	1.1
209.08112	24.1
211.09622	3.9
219.01787	5.2
227.09140	61.3
237.02733	5.3
239.02345	1.4
261.02869	1.2
268.10403	4.1
276.07596	1.7
278.10614	1.8
289.91562	1.0
295.13156	1.7
359.46051	1.0
364.09933	1.5
382.11246	1.2
424.14847	8.9
440.71561	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	13.8
56.11756	1.0
62.06117	1.4
62.40936	1.2
64.06663	1.0
67.05496	4.5
69.03424	2.4
69.07054	4.4
70.06567	1.9
70.91940	2.5
71.04980	2.0
79.05476	3.3
81.07065	9.2
83.04984	8.5
83.08611	10.3
85.02888	4.5
85.06526	2.4
86.09698	1.2
87.82191	1.2
91.05478	3.1
93.07033	10.5
95.04971	9.0
95.08592	5.9
97.06503	4.5
97.10177	1.1
99.04432	3.2
99.08110	1.9
101.06059	1.0
104.21027	0.9
105.07004	3.1
107.08596	16.1
109.06500	4.2
109.10157	7.1
111.08056	1.8
115.07574	6.9
119.08566	4.1
121.10150	45.8
123.08063	1.5
123.11677	3.8
125.09615	3.4
127.03905	2.2
131.08556	2.3
133.10130	7.2
135.08081	1.6
135.11697	2.6
141.09074	2.2
141.12700	3.0
145.04942	1.4
147.04387	1.0
147.11707	3.0
149.13249	2.2
151.11189	14.9
153.09091	5.9
158.06010	2.7
159.13838	2.2
163.14803	12.0
167.14307	16.4
173.13239	6.8
175.14801	4.4
177.05367	1.3
177.14996	1.1
191.14297	14.5
209.15373	100.0
227.16422	11.2
244.19324	1.6
307.66074	1.2
406.13925	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
55.05502	0.4
56.01403	0.6
57.07084	2.0
59.05000	0.8
67.05508	2.9
68.23867	0.3
69.07071	2.6
70.02958	3.8
71.04998	0.7
71.53702	0.5
72.04511	1.8
73.02927	4.7
74.02443	0.8
79.05510	0.3
81.03439	0.4
81.07062	0.8
84.04480	0.9
85.02438	0.4
85.02916	0.5
85.06546	3.1
85.20163	0.4
86.09709	0.7
87.08106	1.0
90.05565	10.9
91.05477	0.6
95.04980	4.1
96.08117	1.1
97.02875	0.3
97.06522	0.6
98.02427	13.7
98.03074	0.7
100.03979	3.6
101.46426	0.3
103.05464	0.6
103.07587	1.0
105.01904	0.4
105.07052	0.7
113.06028	2.9
116.03466	5.9
119.08585	0.4
120.84074	0.3
121.06516	0.3
121.10118	0.5
123.11678	0.5
124.07600	10.4
127.03895	0.8
131.04953	1.9
138.05513	0.6
141.12741	1.2
142.08650	12.4
142.09761	0.7
145.10133	0.4
156.10219	0.7
159.04422	8.2
160.09697	0.4
166.08656	1.1
167.07053	0.9
184.09717	9.5
189.70203	0.3
202.10760	100.0
203.11128	0.9
205.04965	0.4
205.36060	0.3
208.21385	0.3
211.06064	0.4
220.11826	17.8
251.12973	0.3
267.49789	0.3
271.13498	0.4
357.74176	0.3
392.63849	0.3
424.26987	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.05514	14.2
56.96569	1.1
57.03429	2.9
57.07067	3.3
59.05000	2.8
61.70917	1.1
63.48018	1.3
65.03938	3.1
67.05510	100.0
67.83739	1.1
69.03427	1.7
69.07075	19.1
70.06607	1.6
70.95910	1.1
71.04996	3.9
71.26521	1.9
73.02909	1.6
79.05496	24.7
81.03426	2.4
81.07063	64.3
83.04996	3.6
83.08622	13.7
85.02892	1.4
85.06548	4.6
86.09792	1.1
91.03988	1.2
91.05482	20.5
93.07048	40.2
95.04980	3.7
95.08616	69.0
97.02887	1.4
97.06537	4.1
97.10175	4.2
105.04562	1.3
105.07038	23.3
107.07874	2.4
107.08598	43.9
107.09305	2.3
109.06541	3.9
109.10164	75.1
111.08092	11.6
111.11705	1.9
117.07043	5.7
119.08589	27.4
121.06544	1.9
121.09319	2.3
121.10152	29.4
123.11732	14.3
128.06227	1.7
128.07120	1.4
129.06992	1.7
131.08583	10.7
133.10144	27.0
135.11705	20.5
137.09636	2.4
137.13274	4.1
139.11139	3.3
143.08572	4.8
144.09384	1.5
145.10143	13.2
147.11697	17.0
149.13266	24.6
151.11246	2.2
154.08650	2.5
155.10706	4.1
157.10144	5.0
158.10963	1.4
159.11699	22.0
161.13281	15.4
163.14850	10.1
165.12727	2.6
168.83904	1.1
169.10097	1.6
171.11627	5.5
173.11754	14.4
173.13289	12.5
175.14816	10.0
177.12752	3.7
177.16394	11.8
179.17903	1.5
183.11629	1.6
185.13289	3.5
187.14789	9.2
189.16403	9.8
191.14343	1.4
191.17941	6.0
195.13809	6.9
199.14847	4.5
201.16426	15.2
203.17979	18.1
205.15878	3.3
205.19595	2.8
207.17427	2.6
209.13231	1.6
210.62508	1.1
213.16434	3.9
215.17934	8.2
217.16034	2.7
217.19540	10.7
219.17416	3.9
225.16393	1.5
227.17894	7.3
229.19553	8.9
231.20956	1.2
233.19023	2.0
239.18025	1.5
241.19635	3.5
243.21097	3.4
255.21094	7.8
257.22583	5.9
261.22107	1.6
267.21210	1.5
269.10596	1.2
269.22604	6.5
271.20914	1.4
283.24194	3.1
295.23999	1.4
313.25278	1.8
316.61411	1.3
332.22220	5.2
365.31998	4.2
405.35263	7.6
406.27170	2.2
423.27344	55.3
423.36237	63.2
424.28006	9.0
424.36328	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	423.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47847	0.9
55.01871	1.2
55.05311	0.7
55.05516	9.5
57.03423	3.7
57.07072	3.4
58.89074	0.9
63.47798	0.9
67.05506	16.7
69.03425	1.7
69.07076	12.6
69.83086	3.6
69.89594	0.8
71.04996	1.8
71.08628	2.9
77.09452	1.0
77.92023	0.8
79.05501	7.3
80.32626	0.9
81.03427	1.4
81.07063	18.5
83.04998	2.7
83.08614	7.7
91.05491	5.3
93.07043	11.3
95.04974	1.9
95.08611	14.1
97.06530	2.7
97.10174	3.7
105.07038	7.2
107.07817	1.3
107.08592	12.6
109.06512	9.2
109.10163	10.8
111.08066	2.2
113.00021	10.1
117.07054	2.5
119.08587	7.9
121.10162	6.6
122.07252	1.1
123.08068	33.0
123.11714	2.9
125.09665	0.8
131.08577	3.2
133.10107	5.0
135.08032	5.8
135.11707	5.2
137.09608	2.9
139.11150	1.1
145.10167	3.2
147.11682	4.8
149.09641	3.0
149.13268	4.2
152.34373	1.0
157.10173	1.4
159.11725	3.4
161.13335	2.4
163.14838	1.2
165.12798	1.7
169.02629	9.4
171.11729	1.4
172.64642	1.0
173.11824	1.0
173.13304	1.8
175.14868	1.6
177.12781	3.3
179.14314	24.4
185.13338	1.2
187.14789	1.4
189.16350	1.2
191.17996	1.2
193.15967	1.4
199.14760	1.1
203.18045	1.0
215.17908	1.0
247.20561	1.1
259.20602	1.2
263.20096	1.1
275.20114	3.8
289.42038	0.9
293.21268	1.9
303.26740	4.1
311.25806	13.5
312.26010	0.8
331.26315	23.6
331.30081	1.5
349.27338	6.3
367.25070	1.4
387.24945	1.3
405.26501	1.2
423.31171	100.0
424.31714	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	423.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
54.03284	0.6
55.01868	1.2
55.05513	6.3
57.03426	1.4
57.07072	2.4
59.05002	0.6
62.65118	0.7
67.05510	13.8
69.03442	0.8
69.07072	7.4
71.04975	1.0
71.08634	1.7
78.60986	0.5
79.05496	6.1
81.07063	13.4
83.05024	0.8
83.08633	4.0
85.06564	1.6
91.05479	3.4
93.07047	9.4
95.04961	1.0
95.08611	10.3
97.02909	1.6
97.06529	1.7
97.10189	0.9
99.08094	1.1
105.07057	3.5
107.08598	8.1
109.06530	10.1
109.10169	9.1
111.08118	2.4
117.07038	0.6
119.08595	6.1
121.06496	1.3
121.10136	5.6
122.07317	1.0
123.08075	37.5
123.11723	1.9
131.08582	2.0
133.10106	2.8
135.08064	6.2
135.11716	3.4
137.09662	3.0
139.83334	0.6
145.10097	3.6
147.11696	2.0
148.12363	0.7
149.09642	2.2
149.13249	3.4
150.15654	0.6
151.11197	1.1
151.14952	0.8
155.10776	0.8
159.11731	2.5
161.13326	2.4
163.11224	0.9
165.12773	0.9
167.14368	0.8
173.11842	0.9
173.13300	1.5
175.14980	1.0
176.56740	0.6
177.12766	2.8
179.14323	28.1
183.11732	0.6
193.15932	2.0
202.97299	0.7
205.16005	0.9
233.18973	1.1
247.20584	1.3
261.22034	1.0
263.20157	1.5
266.83603	0.6
275.19949	3.2
289.25369	1.3
289.46619	0.6
293.21194	3.1
303.26953	2.8
331.26334	23.2
349.27399	5.5
367.24899	2.0
405.30103	2.0
417.25754	0.8
423.31192	100.0
424.31589	2.0
436.87085	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.4
55.01862	2.4
55.05515	13.1
57.03415	4.7
57.07059	2.5
59.04985	3.3
65.03922	2.3
67.05509	100.0
69.03426	1.9
69.07066	10.0
69.74020	5.5
71.05003	5.6
71.05303	1.3
73.02893	1.2
79.05501	23.1
81.03397	2.6
81.07061	50.8
83.04969	2.3
83.08622	9.9
85.06512	3.4
91.04990	1.4
91.05489	17.6
93.07054	29.3
95.04935	4.5
95.08611	19.5
97.02884	8.6
97.06528	6.0
97.10136	1.5
99.04452	4.9
99.08058	1.9
105.04529	1.2
105.07038	7.3
107.08604	19.7
109.02818	1.5
109.06482	2.6
109.10162	60.0
111.08084	5.6
113.09634	1.7
113.18658	1.0
117.07014	5.9
119.08598	8.4
121.10156	12.2
123.08013	3.8
123.11635	2.2
127.03887	4.1
131.08591	6.1
133.10129	6.4
135.08060	1.4
135.11749	6.1
135.12531	1.3
137.09566	2.6
145.04926	1.5
145.10051	3.0
147.11633	1.9
149.12201	1.4
149.13263	15.9
151.37804	1.1
155.10628	4.6
159.11716	6.6
161.13245	2.0
173.10466	1.3
173.11775	18.8
173.13168	2.7
177.12672	4.3
178.18106	1.2
179.14311	5.8
195.13828	8.2
201.16325	1.5
206.47740	1.1
227.43153	1.1
261.22034	3.2
331.26154	2.1
423.27100	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	423.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01888	1.5
55.05260	1.2
55.05513	12.3
57.03442	3.2
57.07076	2.0
59.05001	4.3
61.60958	0.6
65.03947	2.5
65.85410	0.7
67.05508	100.0
69.07071	11.4
69.70358	3.9
70.06601	1.2
71.04997	3.9
71.08675	0.6
73.19678	0.6
78.48252	0.8
79.05495	18.6
81.03433	1.9
81.07061	47.3
83.04994	2.5
83.08620	10.9
85.06532	4.5
88.07637	1.5
91.05486	15.2
91.06025	1.3
93.07047	25.6
95.04993	1.9
95.08609	13.2
97.06533	5.2
97.10157	1.7
99.08113	1.5
102.09185	1.2
104.41837	0.6
105.07054	3.8
107.08598	16.7
109.06506	1.3
109.10159	63.9
111.08094	5.9
115.72504	0.7
117.07018	4.4
119.08601	7.3
121.06528	1.4
121.10148	6.9
123.11671	1.7
131.08571	3.7
133.10158	6.7
135.08057	1.3
135.11717	5.2
137.09630	2.8
149.02344	3.8
149.13258	14.4
150.02718	1.6
155.10648	5.6
159.11714	6.1
162.74333	0.7
173.11742	16.7
173.13177	1.1
177.12782	2.9
177.89024	0.7
193.04939	4.3
194.05309	3.0
195.13817	10.6
213.14850	1.5
233.32495	0.8
251.16354	1.1
256.26370	0.9
257.26740	1.6
337.16000	1.0
423.27451	79.6
424.27274	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2742
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03923	8.1
55.01895	5.8
55.05511	29.6
57.03423	13.1
57.07070	13.1
57.77580	4.8
58.71920	4.7
59.28386	5.0
61.48143	4.8
65.03949	5.9
67.05509	92.7
69.03427	29.4
69.07064	36.6
70.09575	10.8
70.09966	11.1
70.22122	5.2
71.08641	9.0
79.05497	64.6
81.03415	39.7
81.07057	100.0
81.88754	5.3
83.04964	12.0
83.08627	15.0
85.02904	21.6
90.05000	5.7
91.05473	48.7
93.07060	72.1
95.04988	14.2
95.08607	71.7
97.02895	18.2
97.06519	8.6
97.10143	6.8
99.04468	6.7
105.07035	51.5
107.04990	6.7
107.08604	52.4
109.06516	11.9
109.10159	47.3
111.04462	12.4
111.07998	6.8
117.07023	27.6
119.08587	44.5
119.13925	5.9
121.06514	9.6
121.10159	42.8
123.04377	6.3
123.08059	14.2
123.11709	10.9
129.07025	16.1
131.08556	44.1
133.06535	8.9
133.10120	41.1
135.08040	10.0
135.11697	31.4
137.09583	7.6
143.08583	23.5
145.10106	28.5
147.11665	20.9
149.02341	16.5
149.09749	5.8
149.13255	23.0
155.08510	6.2
157.06371	5.2
157.10147	16.4
159.11734	33.7
161.09648	6.4
161.13263	17.5
163.11186	5.9
163.14836	7.4
165.12799	6.0
169.10194	6.4
171.11736	11.3
173.09552	8.4
173.13260	24.3
175.11317	5.9
177.12743	8.4
179.14351	7.8
185.13205	5.9
187.14822	8.9
189.16400	5.5
191.14407	5.9
195.11896	5.6
195.13947	5.9
199.14896	8.2
203.14339	8.5
217.15997	7.4
227.14270	5.7
241.19373	6.1
243.21104	8.6
253.81320	5.8
259.20541	16.2
261.22174	24.4
271.20490	7.4
273.22321	11.0
277.21640	9.3
279.23260	6.4
291.23138	7.7
303.23209	22.2
323.23975	5.8
324.51584	6.3
331.22702	6.7
341.24591	8.6
345.24246	7.0
351.23380	9.8
369.24387	38.4
387.25293	49.6
405.26312	44.7
423.26883	30.1
423.36465	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	423.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01871	1.2
55.05513	11.9
57.03449	4.3
57.07080	1.7
59.04992	3.0
59.29935	0.8
60.33481	0.7
65.03925	2.3
67.05510	100.0
69.03423	2.1
69.07072	10.9
69.95503	3.8
71.04989	4.8
73.02900	0.7
79.05496	21.5
81.03416	2.7
81.07062	45.4
83.04979	3.6
83.08623	11.5
85.06553	4.2
91.04970	1.4
91.05490	16.3
93.07051	26.9
95.04955	2.8
95.08614	15.4
97.06525	4.5
97.10169	1.2
99.08092	1.7
103.03986	0.8
105.07060	4.6
107.08605	16.3
109.06500	1.1
109.10163	57.6
111.08089	5.7
115.05463	0.7
117.07022	4.5
118.21476	0.7
119.06122	0.8
119.08613	5.9
121.06481	1.0
121.10130	6.7
123.08131	0.9
123.11716	1.6
131.08539	4.3
133.10149	5.7
135.08089	1.2
135.11697	4.5
137.09610	2.4
139.11133	0.9
139.32980	0.7
143.08536	1.1
145.06451	0.9
145.10129	1.6
147.11711	1.2
149.09680	0.9
149.13271	13.2
155.10695	5.0
159.11685	7.4
161.13217	1.0
173.11752	15.2
177.12744	3.0
195.13824	11.0
213.14871	1.1
250.00201	0.7
331.22345	0.8
387.25482	1.2
405.26535	0.8
423.27423	73.7
424.27899	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	423.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
55.01872	1.4
55.04733	0.8
55.05512	12.7
57.03444	3.7
57.07077	1.5
59.04993	2.7
65.03935	3.6
67.05508	100.0
69.03416	0.8
69.07072	10.4
69.35823	6.3
71.04998	2.9
73.56209	0.9
77.03907	0.7
79.05495	20.1
81.03429	1.1
81.07061	49.2
81.95836	0.7
83.04984	2.3
83.08624	10.1
85.06554	3.7
91.04627	0.8
91.05487	15.6
91.06017	1.1
91.76986	0.6
93.07053	28.0
95.04993	2.3
95.08614	12.0
95.09164	1.0
97.06548	4.3
98.21626	1.3
99.04512	0.8
101.68547	0.6
105.07055	3.8
107.04944	0.8
107.08601	13.7
109.06562	1.4
109.10160	62.1
111.08075	4.1
117.07011	3.4
119.08582	6.7
121.10160	6.2
123.11716	1.4
125.09686	0.8
128.20276	0.7
131.08591	3.9
131.30988	0.8
133.10146	6.7
135.08113	1.0
135.11703	4.8
137.09621	2.2
147.11690	1.4
149.13271	14.4
155.08635	0.8
155.10722	6.1
159.11684	5.6
173.11754	18.1
173.13188	1.4
177.12735	2.7
195.13824	9.9
195.15466	0.8
213.14819	1.3
371.65240	0.7
423.27429	86.2
424.27835	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	423.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01878	1.7
55.05515	12.4
57.03436	3.6
57.07073	1.6
59.05012	3.6
63.26899	0.6
65.03944	2.7
67.05508	100.0
69.07074	9.9
70.97360	1.4
71.04997	3.1
79.05497	20.7
81.03410	1.7
81.07063	43.6
82.58382	0.8
83.04991	2.1
83.08624	11.2
85.02924	0.8
85.06561	3.3
86.57108	0.7
91.05489	13.5
93.07047	25.8
93.07642	1.4
95.04987	2.2
95.08613	12.9
97.06540	5.5
97.10195	0.7
99.08070	1.1
105.07047	3.2
107.08604	14.8
109.06535	1.3
109.10164	57.8
111.08085	4.4
113.05975	0.9
113.82574	0.7
117.07017	4.6
117.40156	0.6
119.08602	6.9
120.87168	0.7
121.06617	0.7
121.10156	6.6
123.11697	1.4
131.08565	3.8
133.10147	5.1
135.11711	5.1
137.09622	3.0
137.71500	0.7
139.11191	0.8
147.11671	0.8
148.32121	0.8
149.13263	12.9
151.11249	1.0
155.10674	6.6
159.11694	5.1
173.11745	17.5
173.13168	1.2
177.12720	3.3
185.04312	0.8
195.13811	11.0
213.14996	0.7
257.04071	0.7
337.14249	0.9
423.27423	76.9
424.27942	0.9
435.84134	0.8
445.85895	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.0
55.01873	6.1
55.05516	27.3
57.03447	7.5
57.07067	5.6
59.04996	2.8
63.41112	1.4
65.03940	3.9
66.51289	1.6
67.05507	100.0
69.03437	11.7
69.07071	21.3
69.95994	2.5
69.96400	3.4
71.04991	6.1
71.08633	2.5
73.02929	1.8
79.05496	52.7
81.03436	10.4
81.07063	85.7
83.04983	6.1
83.08622	15.4
85.02905	5.1
85.06544	4.8
91.05486	32.1
91.06020	2.9
93.07049	60.0
95.04983	5.1
95.08611	53.8
97.02898	49.2
97.06519	7.5
97.10183	5.7
98.21444	2.2
99.04456	15.6
99.08095	3.4
101.02370	1.6
105.04553	2.2
105.07037	22.4
107.08591	37.5
109.02883	7.9
109.06506	12.3
109.10162	48.5
111.08082	7.0
117.07018	11.3
119.08580	23.5
121.10148	35.2
123.08086	36.0
123.11713	8.1
125.05996	1.7
127.03934	18.1
127.11064	1.4
128.06247	1.9
129.07018	3.4
131.08569	21.3
133.06465	1.8
133.10127	20.3
135.08078	7.1
135.11710	18.0
137.09647	6.0
137.13264	1.9
139.11237	1.5
143.08586	2.7
145.05011	2.5
145.06537	1.7
145.10121	13.0
147.08032	2.1
147.11678	12.8
149.09642	4.9
149.13264	18.7
155.08694	1.4
155.10715	2.8
157.10117	3.1
159.08040	3.3
159.11697	15.3
161.13258	8.2
163.11186	1.6
163.14821	3.3
165.12724	2.2
169.10089	1.9
171.11708	4.2
173.11761	9.9
173.13301	8.6
175.14798	3.3
177.12776	4.4
177.16289	1.9
179.14325	34.6
183.11765	1.9
185.13326	2.3
187.14835	5.1
189.12732	1.6
193.15904	1.9
195.13809	4.8
197.13326	1.9
201.12852	2.3
201.16408	2.5
209.13326	2.1
231.21233	1.5
243.21150	4.1
259.20514	4.5
261.22156	29.6
273.22147	2.1
275.20148	4.5
277.44958	1.7
293.21249	2.1
303.26743	3.2
311.23602	1.4
313.21640	2.2
329.24747	3.5
331.22476	2.0
331.26309	25.3
339.23318	4.3
349.27399	7.2
352.39447	1.6
357.24350	6.2
364.94711	1.7
423.26715	23.7
423.31116	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	423.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.3
55.01880	1.9
55.05515	12.2
57.03445	3.1
57.07073	1.5
59.05007	3.9
65.03952	3.3
67.05510	100.0
69.07077	12.2
69.70628	4.4
71.04995	4.8
79.05501	19.8
81.03454	1.9
81.07065	46.6
83.04997	3.1
83.08627	9.9
85.02917	1.1
85.06544	4.3
91.05482	15.1
92.10072	0.8
93.07048	29.0
95.04973	4.1
95.08612	13.6
97.06530	4.3
97.10126	1.0
105.07027	4.7
107.08603	15.4
109.06521	1.1
109.10168	59.6
111.08073	5.2
111.77034	0.9
117.07024	5.1
119.08587	7.0
121.06586	1.7
121.10147	8.0
121.10925	0.8
123.11729	1.5
125.09646	0.9
129.07025	0.9
131.08586	4.6
133.10139	6.2
135.08116	0.9
135.11720	4.6
137.09644	1.9
145.10094	1.3
147.11726	1.5
149.13268	14.5
155.10675	5.4
159.11699	6.8
161.13266	0.9
173.11757	18.5
173.13161	1.4
177.12830	3.2
183.57001	0.8
187.14764	0.9
191.83185	0.8
195.13849	9.8
213.14934	1.4
352.16229	0.8
405.25607	1.2
423.27490	74.3
424.27844	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	423.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27866	1.2
52.91236	1.3
55.01858	1.9
55.05516	17.9
57.03436	5.1
57.07082	8.8
67.05507	22.9
69.03424	3.4
69.07069	19.5
71.08290	1.4
71.08643	8.0
77.13068	1.4
78.28662	1.5
79.05487	11.3
81.03407	4.9
81.07053	28.4
83.04993	3.8
83.08622	13.7
85.02927	2.6
85.10205	2.1
91.05482	10.7
93.07056	20.3
95.04973	2.0
95.08613	18.0
97.02909	1.9
97.06536	3.4
97.10181	7.2
98.20713	3.2
105.07034	11.6
107.08594	14.8
109.06519	18.0
109.10159	15.6
111.04405	2.0
111.08073	2.3
111.11765	2.5
113.00030	22.3
117.07023	4.7
118.25627	1.4
119.08612	10.4
121.06505	1.7
121.10143	14.2
122.07344	1.9
123.08072	28.1
123.11726	3.5
127.03889	1.3
129.06998	2.1
131.08611	6.1
133.10129	5.8
135.08041	6.7
135.11694	7.1
142.07686	1.4
143.08482	2.0
145.10167	5.7
147.08072	1.4
147.11710	4.4
149.09625	2.0
149.13324	4.3
151.16223	1.6
152.72810	1.7
157.10161	4.0
159.11722	6.0
161.09731	2.0
161.13263	4.2
163.14949	1.6
169.02608	24.5
171.11760	2.6
173.11723	1.6
173.13277	3.9
175.14870	2.5
177.12823	2.0
177.16339	2.5
179.14313	75.8
185.13347	2.2
185.96404	1.4
187.14841	2.5
191.14453	1.9
193.15936	3.9
203.18010	2.4
205.15910	3.7
213.12735	1.6
219.17607	1.8
229.30176	1.5
237.22244	3.1
261.22147	2.5
289.21725	2.1
303.23260	3.4
311.25800	30.5
331.26343	26.5
349.27548	4.5
369.24426	2.9
387.25464	4.7
405.26352	3.4
423.31207	100.0
423.35483	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01629	1.6
55.01876	14.5
55.05275	2.1
55.05515	26.1
56.02195	2.9
56.05028	5.5
56.05842	8.5
58.18236	1.0
58.99589	7.4
60.99150	2.8
61.01137	2.7
67.05507	1.3
69.07050	1.5
70.06585	1.5
70.80933	3.3
72.04508	4.4
73.02908	1.8
74.00683	1.4
76.02224	5.4
78.01800	5.2
79.05493	1.8
81.07079	7.1
81.07447	1.4
82.07351	2.8
83.06106	3.1
83.08150	2.4
83.08620	32.1
84.04507	24.6
84.08952	16.0
85.02929	1.8
85.04838	3.9
86.99046	5.0
87.00693	1.1
88.02215	1.7
89.02194	1.5
90.05557	6.6
95.08600	2.0
97.06532	1.1
98.09690	5.8
99.08069	1.3
99.10029	2.4
104.01705	18.6
105.02021	3.8
106.01254	2.6
107.08578	1.7
116.00897	2.3
116.01683	36.0
117.02069	9.4
118.01237	4.7
126.05513	3.0
127.05908	1.7
129.06583	3.8
130.04982	4.2
130.06924	2.4
142.03247	2.4
143.03413	1.3
144.06552	3.1
157.08710	2.0
158.02724	100.0
158.08017	4.0
159.03079	48.8
159.07268	1.4
159.08418	25.5
160.02200	9.0
160.08742	18.4
161.02609	2.3
167.07091	1.3
170.11826	1.5
171.12163	2.5
176.03777	58.5
176.09004	1.4
176.11044	2.7
177.04111	34.5
177.05434	1.2
177.11282	2.6
178.03391	4.0
184.22841	1.1
199.13228	1.6
227.96732	1.3
247.04248	1.4
273.12793	2.7
274.13022	7.4
275.12317	14.9
276.12646	58.7
277.12976	51.7
293.15253	18.2
294.15637	39.8
333.14581	2.9
334.15213	7.9
338.72046	1.3
405.12827	2.4
405.18060	2.3
423.13715	1.5
423.20001	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11203	1.1
51.54413	0.9
53.03935	1.4
55.01880	12.8
55.05269	1.8
55.05518	28.7
56.02209	2.5
56.05021	3.8
56.05852	8.9
57.03436	2.0
58.99581	7.1
60.99166	2.9
61.01156	1.3
61.33821	1.0
70.06564	2.1
71.19719	2.4
72.04507	4.2
73.02917	1.6
76.02227	4.9
78.01810	3.7
79.05498	1.9
81.07064	6.9
82.07401	1.7
83.06129	2.1
83.08146	2.4
83.08624	33.2
84.04516	20.4
84.08958	12.8
85.02917	1.7
85.04856	5.5
86.99069	7.9
88.02219	2.1
89.02292	1.4
90.05556	5.2
95.04993	1.9
95.08591	1.5
96.95660	1.0
98.09698	5.1
99.10043	3.1
101.09642	1.8
102.05560	1.3
104.01701	21.1
105.01993	3.4
106.01263	2.3
107.08595	1.4
115.03777	1.6
116.01685	34.9
117.02067	7.9
118.01252	2.9
121.10080	1.2
126.05511	2.6
127.05869	2.8
129.06581	5.3
130.04982	4.4
130.06924	2.4
132.06499	1.4
136.07584	1.4
141.06538	1.6
142.03210	1.1
144.06573	1.9
157.08810	1.5
158.02733	100.0
158.07990	2.6
159.03090	48.6
159.08438	20.8
160.02226	7.6
160.06775	1.1
160.08754	14.9
161.02614	2.8
170.11800	1.2
175.09877	1.6
176.03787	63.3
176.09006	1.6
176.10994	1.3
177.04123	30.0
177.11475	1.6
178.03368	3.5
231.72768	1.2
253.09816	2.4
258.11569	1.2
273.12778	2.6
274.12903	5.9
275.12314	11.5
276.12640	50.9
277.12976	56.9
293.15396	15.6
294.15637	37.8
295.14880	1.4
309.08640	1.5
333.14734	3.5
334.15106	13.4
405.12802	4.3
405.18396	3.1
423.13980	4.4
423.19949	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	14.9
55.05269	2.2
55.05512	22.9
56.02195	2.5
56.05046	9.2
56.05842	7.4
57.05371	2.4
58.99583	6.7
60.04530	2.0
60.47842	1.8
60.99151	5.0
61.01142	7.6
63.74019	1.6
69.07054	2.9
70.06596	3.2
71.04483	3.5
71.04946	2.5
72.04517	13.5
73.02880	3.8
76.02222	8.0
78.01794	7.8
78.03786	10.5
79.05486	3.3
80.05820	2.2
81.03395	2.1
81.07066	13.7
82.07403	6.8
83.06060	2.0
83.08629	25.1
84.04507	28.7
84.08952	8.8
85.01158	1.8
85.02892	9.4
85.04836	10.1
86.09689	2.2
86.99055	5.1
87.00704	2.2
87.99376	2.0
88.00220	2.9
88.02210	6.8
89.02247	2.5
90.05537	8.7
90.42266	1.6
95.04989	2.9
95.08600	2.7
96.08128	2.5
96.08942	2.2
97.06515	2.1
98.02383	2.5
98.09712	14.4
99.04439	6.6
99.05591	3.1
99.10009	11.0
102.03773	18.2
103.03961	11.9
104.01694	15.6
105.02046	5.0
106.01276	4.6
109.02872	3.4
111.10009	2.8
114.03750	2.5
115.03822	4.4
116.01692	30.8
117.01990	7.3
118.01258	9.1
118.02000	1.8
119.01612	2.4
120.04830	3.3
120.08121	2.5
124.07573	2.3
126.05520	24.8
127.03870	4.3
127.05832	2.8
129.06595	5.0
130.04977	7.6
130.06924	2.3
131.05417	2.8
131.06386	7.1
132.04788	11.4
132.06471	2.0
136.07567	2.0
141.06609	1.9
142.03166	2.3
142.08636	3.8
144.06583	2.6
147.04381	3.0
149.07468	32.9
152.07051	4.0
156.08368	3.4
158.02731	84.2
158.08044	9.1
159.03065	44.1
159.06322	2.2
159.08452	18.0
160.02271	15.9
160.06763	3.4
160.08769	9.2
161.02634	7.3
170.11737	4.9
171.12157	5.4
175.05353	2.7
176.03778	53.7
176.09065	3.3
177.04111	22.9
177.09399	4.7
178.03236	3.7
179.03551	3.4
180.06554	8.0
183.06514	2.2
195.06010	3.6
198.07623	3.6
227.08167	2.1
231.11613	1.8
239.08217	3.1
240.08690	2.1
253.09746	2.9
273.12634	7.9
274.12946	14.2
275.12335	35.5
276.12637	100.0
277.13016	46.2
281.09198	1.9
293.11734	69.5
293.15231	11.4
294.15561	23.7
295.64267	2.1
299.10251	4.2
327.09830	9.8
333.14725	3.2
334.14880	10.1
345.10776	10.1
387.11935	5.2
387.16574	2.1
405.12656	16.3
405.17078	25.8
423.13199	9.8
423.18576	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	423.1433
Annotation	(12aR,17bS,18aS)-17b-hydroxy-13,17b,18,18a-tetrahydro-11H-indolo[3',2':4,5]pyrrolo[2,1-c]quinazolino[3,2-a][1,4]benzodiazepine-5,11(12aH)-dione
Peak:m/z	Relative Intensity
51.45573	0.9
53.77641	0.8
55.05508	1.4
56.96580	5.6
57.03439	1.5
58.99580	6.4
60.04509	0.8
61.02920	2.0
67.05505	6.9
69.03444	7.1
69.06721	1.5
69.07070	16.7
69.40199	4.6
69.40628	2.0
70.06593	2.9
71.04997	1.0
72.08157	0.9
73.02921	1.8
74.06078	3.0
76.02229	2.2
81.03405	3.1
81.07065	1.1
84.04499	2.1
84.08145	3.3
84.65008	0.8
84.96036	2.3
85.02916	14.8
87.04477	1.8
88.03947	0.8
91.03950	1.1
91.05500	1.2
93.07034	1.4
95.04980	4.0
97.02895	6.9
98.20723	1.6
98.97596	28.1
99.02673	2.4
99.04473	1.7
101.04248	48.8
104.07092	3.4
109.02912	1.8
110.06007	1.1
110.76358	0.8
110.97581	3.4
112.07600	3.8
112.99133	1.1
116.07131	1.6
116.98631	8.5
119.04956	1.3
120.08087	1.1
121.06459	1.0
125.05934	1.0
126.05507	0.9
127.02163	6.1
127.03922	6.2
127.05779	2.4
128.98624	2.3
129.03720	2.1
130.06535	3.9
130.08659	0.9
131.00203	1.3
132.04457	1.1
134.99678	1.9
136.06169	1.3
137.05963	1.0
138.05478	4.6
139.03903	1.2
140.07079	12.0
143.00134	1.0
145.01709	0.9
145.02843	1.0
145.04984	1.5
147.04361	4.4
155.01662	2.3
157.07596	1.0
158.06097	1.2
158.08159	3.4
158.99663	7.6
164.02304	1.4
164.98547	0.9
166.08536	0.9
167.08215	1.5
170.06384	1.8
170.99649	1.3
172.04282	100.0
173.04852	1.3
175.08737	1.2
177.00732	5.3
177.05528	1.8
180.04796	1.9
182.08144	3.6
182.99648	1.0
191.05959	1.1
197.07451	2.4
198.05817	4.9
201.00789	2.2
201.04387	1.9
214.05359	10.8
215.06085	1.4
215.08549	5.2
219.01788	9.2
231.05388	1.0
234.99017	1.3
237.02795	7.1
243.05357	2.6
244.06433	8.2
258.06473	1.3
261.02899	0.9
261.06491	1.4
261.09003	12.2
276.07635	4.4
279.03845	1.0
302.12268	1.1
304.12860	2.0
305.05972	0.9
305.09195	3.5
309.08923	1.3
309.15884	0.9
317.09091	0.9
323.10150	1.9
335.10165	1.9
342.10034	1.6
360.10965	1.5
363.09744	5.3
377.13773	8.8
381.10699	6.6
423.14365	80.9
423.23712	4.0
424.14426	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23468	1.3
51.42741	1.8
52.46060	1.6
53.03946	2.4
55.01868	3.0
55.05515	10.3
56.96546	2.4
57.03431	5.8
59.04978	1.9
61.02914	4.1
66.52387	1.3
67.05182	1.9
67.05511	26.2
68.05842	2.5
69.03434	6.5
69.07066	11.7
71.04990	5.0
71.30960	1.5
71.37279	3.0
79.05502	14.7
81.03408	5.5
81.06589	3.3
81.07063	60.7
82.07392	3.6
83.04980	4.7
83.08617	7.7
85.02914	22.6
85.06580	2.7
86.69039	2.2
87.04397	1.6
91.05486	23.5
93.07057	12.1
95.04974	10.8
95.08601	15.5
96.08940	3.4
97.02884	7.8
97.06525	5.2
99.04479	1.8
105.06390	2.9
105.07039	29.7
106.23258	1.6
107.04945	3.1
107.08627	9.6
109.02850	1.8
109.06501	4.2
109.10138	6.7
110.10513	2.7
119.08594	22.2
120.08952	2.2
121.10143	13.9
123.08034	2.9
123.11700	18.7
127.03910	4.8
129.07002	3.6
131.08569	5.9
132.08948	2.4
133.10156	14.7
134.10406	2.6
136.11880	1.5
137.13272	5.4
145.04984	4.4
145.10129	3.7
147.11696	67.6
157.10098	5.9
159.11652	2.5
165.12770	50.8
175.11174	10.0
175.15013	1.5
180.08632	8.7
193.12267	40.7
194.12543	1.6
197.15390	31.7
201.16263	1.6
225.14867	48.7
229.14328	1.6
243.15941	100.0
312.20435	2.6
329.21054	2.7
330.21484	8.5
331.86011	1.8
341.37814	1.6
354.15326	1.9
404.24939	7.8
404.33469	2.1
422.26239	13.8
422.34799	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	422.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23468	1.3
51.42741	1.8
52.46060	1.6
53.03946	2.4
55.01868	3.0
55.05515	10.3
56.96546	2.4
57.03431	5.8
59.04978	1.9
61.02914	4.1
66.52387	1.3
67.05182	1.9
67.05511	26.2
68.05842	2.5
69.03434	6.5
69.07066	11.7
71.04990	5.0
71.30960	1.5
71.37279	3.0
79.05502	14.7
81.03408	5.5
81.06589	3.3
81.07063	60.7
82.07392	3.6
83.04980	4.7
83.08617	7.7
85.02914	22.6
85.06580	2.7
86.69039	2.2
87.04397	1.6
91.05486	23.5
93.07057	12.1
95.04974	10.8
95.08601	15.5
96.08940	3.4
97.02884	7.8
97.06525	5.2
99.04479	1.8
105.06390	2.9
105.07039	29.7
106.23258	1.6
107.04945	3.1
107.08627	9.6
109.02850	1.8
109.06501	4.2
109.10138	6.7
110.10513	2.7
119.08594	22.2
120.08952	2.2
121.10143	13.9
123.08034	2.9
123.11700	18.7
127.03910	4.8
129.07002	3.6
131.08569	5.9
132.08948	2.4
133.10156	14.7
134.10406	2.6
136.11880	1.5
137.13272	5.4
145.04984	4.4
145.10129	3.7
147.11696	67.6
157.10098	5.9
159.11652	2.5
165.12770	50.8
175.11174	10.0
175.15013	1.5
180.08632	8.7
193.12267	40.7
194.12543	1.6
197.15390	31.7
201.16263	1.6
225.14867	48.7
229.14328	1.6
243.15941	100.0
312.20435	2.6
329.21054	2.7
330.21484	8.5
331.86011	1.8
341.37814	1.6
354.15326	1.9
404.24939	7.8
404.33469	2.1
422.26239	13.8
422.34799	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	422.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
55.01884	0.8
55.05515	5.4
57.03416	1.3
60.04544	1.0
61.02929	1.9
67.05496	4.1
68.28085	0.9
69.03439	3.3
69.07076	13.3
69.50534	4.2
69.50948	2.1
71.04988	2.0
72.08141	1.2
73.02927	1.7
74.25959	1.0
79.05490	2.8
81.03430	1.9
81.07069	7.5
83.04983	3.5
83.08631	4.7
85.02911	10.9
85.06547	1.4
91.05486	2.3
93.07056	5.4
95.04958	1.4
95.08616	23.1
97.02898	2.1
97.06532	1.9
99.04459	2.9
99.08074	1.6
105.07032	6.7
107.08606	6.5
109.02949	1.0
109.06520	3.9
109.10161	6.9
111.08091	8.3
116.01733	1.0
119.08596	6.0
121.06495	1.1
121.10149	10.1
123.08086	17.7
123.11701	1.1
124.69029	0.8
125.09704	1.9
127.03921	2.4
131.08580	0.8
133.06471	1.0
133.10159	2.4
135.08075	3.4
135.11726	5.2
136.06172	1.7
137.06015	1.4
137.09595	4.8
137.13280	8.1
139.07640	1.1
139.11176	1.5
141.09106	1.3
143.08528	1.1
145.04930	1.5
145.10109	1.4
147.08058	1.9
147.11720	8.3
149.09624	2.5
151.07593	5.0
151.14796	1.3
155.10698	2.1
158.02760	1.8
161.13266	9.3
165.09152	3.7
165.12694	1.8
167.07085	1.4
178.40361	0.9
179.14326	19.9
183.11362	1.1
189.12753	11.0
190.28749	0.9
207.13824	49.1
214.05815	0.8
225.14879	100.0
226.15157	1.4
243.15948	13.2
261.07315	1.2
270.24243	1.2
308.07629	1.0
344.09579	1.3
362.42496	0.8
422.23245	1.4
422.31284	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
55.05523	3.3
57.03417	0.7
57.33655	0.6
58.55649	0.5
67.05494	1.5
69.03427	1.2
69.07077	4.0
69.43347	2.4
69.43770	2.2
71.04610	0.6
71.04991	9.9
74.78378	0.6
79.05495	1.2
81.03423	0.7
81.07069	2.9
83.04991	1.7
83.08625	4.1
85.02901	3.9
91.05450	1.4
93.07024	1.3
95.04970	0.6
95.08613	6.4
97.06472	0.8
98.21481	1.0
99.04459	31.8
99.08089	0.8
105.01835	0.8
105.07027	2.4
107.08596	12.4
108.65049	0.7
109.06508	8.3
109.10164	1.4
111.08109	2.9
113.09642	2.1
115.07537	1.7
119.08582	2.2
121.10162	6.8
123.08075	10.8
123.11718	4.5
125.09630	3.8
133.10101	1.0
133.16423	0.7
135.08051	1.2
135.11681	1.9
136.06180	1.5
137.09634	1.4
137.13290	1.5
137.15816	0.6
139.11130	1.7
141.12814	0.6
145.10123	0.9
147.08037	0.8
147.11693	4.1
149.08557	0.6
149.09627	3.4
151.07527	1.5
153.63722	0.6
158.02774	0.9
161.09506	0.8
161.13269	4.0
165.09198	0.8
165.12733	5.0
167.10695	12.4
176.03717	0.8
179.14348	4.4
183.13818	11.7
189.12766	4.7
207.13814	13.1
225.14857	100.0
243.15952	6.8
261.07391	0.7
276.12729	1.0
293.68982	0.8
372.08807	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	1.2
55.05512	3.2
56.05043	1.3
58.13194	1.0
61.02935	1.6
61.82669	1.0
67.05500	4.5
67.76976	1.1
68.53473	1.1
69.03432	3.0
69.07074	15.2
69.29809	2.3
69.30222	8.3
70.06606	2.5
79.05478	2.9
81.03433	2.9
81.07061	13.4
83.04984	3.8
83.08641	6.3
85.02914	5.7
85.06531	2.5
87.00848	1.3
91.05460	2.4
93.07058	6.0
95.04969	1.5
95.06065	1.3
95.08615	23.9
97.02908	3.0
97.06496	1.8
99.04455	2.6
99.08105	1.5
105.01870	1.5
105.07035	5.8
107.04998	1.6
107.08571	8.8
109.02926	1.8
109.06554	3.2
109.10178	5.8
111.08092	7.9
118.30083	1.3
119.07327	1.5
119.08566	7.6
121.10156	9.3
123.08078	22.7
123.11732	2.5
125.09674	1.7
127.03909	2.6
133.10196	1.8
135.08041	3.5
135.11685	7.4
136.06216	8.6
137.09634	3.0
137.13268	5.5
139.11172	4.1
145.10110	2.3
147.08086	2.9
147.11685	9.2
149.09637	4.4
151.07581	6.5
151.11235	1.7
151.14844	2.1
161.09581	1.6
161.13249	11.4
165.09145	2.8
165.12721	1.5
167.07074	6.2
171.11760	1.7
174.10381	1.8
179.14354	21.0
189.12733	9.7
195.13765	1.0
207.13824	47.9
225.14874	100.0
226.15160	1.4
243.15950	11.5
251.35374	1.3
259.18466	1.3
275.12216	2.4
279.11499	1.4
348.14606	1.7
354.23242	1.2
378.23865	2.8
379.09946	4.9
422.17764	3.8
422.23718	4.3
423.09094	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	421.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.8
55.01874	4.2
55.05523	10.5
57.03448	11.0
57.07082	37.2
65.03954	1.9
67.05511	21.1
69.03474	2.3
69.07087	12.1
70.06596	2.9
71.05003	3.6
77.38385	1.6
79.05498	14.4
81.03426	5.3
81.07064	24.5
83.05013	5.3
83.08643	6.5
85.06543	18.1
91.05489	16.8
93.07058	19.4
95.04959	9.6
95.08614	20.7
97.06535	4.4
97.10199	3.3
98.21506	4.6
100.78831	1.9
105.06438	2.5
105.07044	12.1
107.05004	3.5
107.08585	16.4
109.06528	14.0
109.10152	9.6
111.04448	2.6
111.08115	5.8
117.07054	2.7
118.11063	2.1
119.04958	1.9
119.08583	12.7
121.06540	4.0
121.10205	8.1
123.08063	13.2
123.11791	4.5
124.00134	1.7
125.06062	2.1
125.09681	3.0
129.07031	3.6
131.08635	6.6
133.06596	2.1
133.10126	8.6
134.74370	1.7
135.08073	14.6
135.11743	5.4
137.05995	23.9
137.09666	2.1
137.13338	1.8
139.07608	2.9
139.11244	1.9
143.08615	2.6
145.10144	9.2
147.04446	2.0
147.08105	3.9
147.11755	5.8
148.29604	1.6
149.02385	3.4
149.09720	3.2
149.13300	3.4
151.06441	1.9
151.07623	7.1
151.11253	3.3
153.12764	2.6
157.10208	4.8
159.11766	4.9
161.09709	4.3
161.13333	3.0
162.03214	3.1
163.11299	2.2
163.14871	2.4
165.12840	7.2
169.10188	2.8
171.11710	1.9
173.13329	2.8
173.82954	1.9
175.11310	3.9
177.12875	7.1
179.10849	2.2
179.14412	4.1
184.04521	4.4
185.13435	2.0
191.14415	3.8
193.05081	4.1
193.12306	3.8
203.10667	2.2
206.06033	2.6
207.13779	8.4
233.19084	2.9
245.19113	1.9
256.26404	2.4
263.20203	3.2
278.37186	2.1
294.28146	2.1
301.21863	3.0
311.20123	2.7
319.26242	11.7
329.21338	11.6
329.25034	5.3
337.27487	5.6
347.25812	100.0
365.26907	19.1
385.23999	3.3
393.29745	10.4
400.03174	1.8
403.25037	6.9
421.29697	91.7
421.78650	3.6
422.30231	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	421.2588
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
50.08047	1.6
53.03946	3.3
53.63758	1.6
55.01865	6.3
55.05517	25.2
57.03435	6.2
57.07079	2.3
59.05005	2.9
65.03945	1.7
67.05509	48.4
68.99792	1.7
69.03431	6.0
69.07085	9.3
71.05002	4.7
71.53810	3.2
71.63537	1.8
72.36852	1.7
79.05493	29.1
80.91924	1.5
81.03426	13.1
81.07059	36.9
83.04974	5.7
83.08617	11.4
85.02919	5.9
85.06554	3.5
88.68777	1.5
89.82887	1.6
91.05489	38.1
93.07050	26.8
95.04976	51.6
95.08614	30.5
96.08882	1.9
97.02901	4.7
97.06521	3.3
97.10176	12.5
97.57265	1.7
99.04449	2.0
103.05460	2.7
105.03424	1.7
105.07037	22.8
107.04967	24.3
107.08610	14.6
109.02930	3.4
109.06548	6.5
109.10166	25.0
111.08121	4.0
115.05484	3.9
117.07037	14.1
119.04956	1.9
119.08594	21.7
121.06519	18.3
121.10146	8.7
123.04449	4.5
123.08089	7.6
123.11713	1.6
125.09615	8.6
127.03938	2.8
129.07008	15.0
131.04909	2.1
131.08577	19.9
133.06491	6.4
133.10109	11.0
135.08069	7.2
135.11676	5.3
137.05951	7.8
137.09613	7.4
141.07005	3.7
143.08566	8.1
145.06506	4.9
145.10106	11.1
147.08072	7.2
147.11682	5.0
149.09633	4.6
149.13289	2.3
153.09154	2.2
155.08600	3.6
157.06468	3.3
157.10164	9.8
159.08115	3.6
159.11748	8.2
161.09654	5.4
161.13252	2.6
163.11177	8.4
164.15836	1.6
166.81616	1.5
167.08528	2.1
169.10123	3.0
171.08054	2.5
171.11705	5.8
173.09662	3.1
173.11708	3.4
173.13145	2.9
175.11229	6.7
177.12796	5.3
183.11728	4.3
185.09694	5.0
185.13333	4.6
187.11179	2.6
189.09174	6.2
189.11249	5.5
193.12289	6.9
199.11229	4.7
201.12712	2.6
203.10710	8.7
203.12817	4.5
203.14487	2.4
205.12242	4.7
210.10385	2.1
213.12744	2.9
215.14384	2.6
217.12305	2.0
219.13918	1.8
223.13350	3.5
226.10031	2.4
231.13824	4.7
241.12279	9.6
249.15012	6.0
259.13254	1.9
301.21628	7.2
305.17642	1.9
311.19998	11.8
329.21103	67.8
331.22702	2.4
337.20258	2.0
347.22186	14.4
367.22595	2.8
377.22922	2.0
385.23862	4.8
393.14337	1.8
403.24774	53.7
421.25958	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2586
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03939	3.5
53.21799	1.5
53.79651	1.6
55.01869	4.8
55.05510	20.7
57.03441	9.9
61.02922	2.0
65.03937	1.7
67.05510	45.5
69.03423	5.4
69.07066	11.7
69.19540	1.6
70.42140	1.5
71.05000	2.6
71.69183	1.7
79.05496	34.2
80.05853	1.5
81.03428	14.0
81.07061	28.0
83.04977	5.2
83.08621	12.8
85.06532	3.1
91.05479	32.3
93.06494	1.6
93.07056	25.7
95.04974	50.9
95.08607	23.0
97.06516	5.5
97.10200	12.7
99.08101	3.5
105.07032	20.7
107.04958	20.1
107.08609	12.1
109.06546	4.1
109.10164	20.3
111.04452	2.5
111.08057	4.4
111.90250	1.9
115.05458	3.6
117.07045	13.8
119.04895	3.0
119.08599	19.7
121.06500	21.2
121.10146	7.3
123.04420	2.4
123.08061	6.9
125.09631	10.4
128.06207	2.8
129.07004	10.8
131.04889	2.1
131.08580	15.5
133.06499	5.2
133.10139	8.5
135.08040	7.9
135.11610	2.6
137.09625	5.0
139.11174	2.5
141.06964	4.5
143.08530	6.8
145.06488	5.1
145.10120	12.3
147.08058	4.4
147.11684	4.9
149.09645	3.9
149.13156	1.8
155.08562	3.7
157.06517	3.9
157.10098	8.9
159.08044	3.0
159.11685	6.3
161.09615	8.2
163.11188	10.2
167.08594	3.6
169.10161	4.6
171.08162	1.6
171.11700	3.5
173.09668	3.7
173.11768	4.4
173.13258	2.5
174.08470	1.6
175.11163	7.8
177.12746	3.3
181.10185	2.8
183.11708	2.9
185.09595	3.2
185.13257	3.8
187.11223	1.9
189.09120	7.2
189.11070	8.0
189.12709	2.2
193.12257	9.0
195.11716	2.0
197.13139	2.6
199.11255	3.9
201.12747	3.0
203.10696	8.1
203.12793	5.6
205.12234	6.7
213.12746	4.0
217.07436	1.8
223.13258	4.3
231.13914	3.3
249.14868	7.3
263.16422	2.0
283.20459	2.3
287.16406	1.9
301.21680	4.7
311.20078	17.2
329.21136	80.0
329.25113	3.9
329.45248	1.6
339.76483	1.7
340.15094	1.8
347.22256	15.7
367.22720	2.9
377.23413	2.4
385.23581	7.9
403.24841	64.6
421.25830	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2587
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03936	3.8
55.01874	7.4
55.05272	1.5
55.05518	21.6
57.03448	9.0
59.04984	2.1
60.73711	1.4
61.02936	2.8
65.03915	1.6
67.05507	46.7
67.05873	2.6
69.03423	5.4
69.07072	10.8
69.39612	7.5
69.40034	2.9
69.55264	1.4
71.04984	5.4
73.02922	1.9
79.05492	33.5
81.03430	14.2
81.07065	33.0
83.04971	4.7
83.08625	13.5
85.02906	5.4
85.06540	2.9
91.05482	39.7
93.07056	33.9
95.04978	48.5
95.08611	22.3
97.02897	3.1
97.06526	5.0
97.10174	10.2
103.05493	2.6
105.03370	1.6
105.07035	18.5
107.04964	22.0
107.08600	15.3
107.97393	1.3
109.02832	1.7
109.06522	6.0
109.10159	23.0
111.04439	2.6
111.08099	4.4
114.69301	1.2
115.05450	2.1
117.07033	13.1
119.04924	3.1
119.08588	18.6
121.06512	24.1
121.10142	8.5
123.04457	2.0
123.08089	9.1
125.09632	9.0
128.06236	2.6
129.07005	11.4
131.04974	2.0
131.08592	17.2
133.06480	6.0
133.10146	9.2
135.08064	5.8
135.11693	4.1
137.09602	4.5
139.11165	2.8
140.92921	1.2
141.06998	3.9
142.07698	1.9
143.08557	6.8
145.06496	2.5
145.10107	10.2
147.08014	7.8
147.11714	4.8
149.05989	2.2
149.09608	3.9
153.09065	1.8
154.07777	2.0
155.08594	3.4
157.06544	3.2
157.10136	11.3
159.08055	2.8
159.11720	7.6
161.09654	6.5
163.11206	5.4
167.08578	2.6
169.10175	5.3
171.08109	2.4
171.11705	5.0
173.09621	2.9
173.11740	3.8
173.13234	2.5
175.11211	11.5
177.12773	4.9
181.10153	2.8
183.11728	4.5
185.09651	4.4
185.13306	3.6
187.11168	3.2
189.09135	6.4
189.11243	6.6
189.12706	1.6
193.12276	6.1
195.11763	2.8
197.13300	2.7
199.11215	3.7
201.12740	2.4
203.10696	8.2
203.12784	4.9
203.14485	2.4
205.12221	3.5
209.13414	1.5
213.12769	3.5
217.12277	2.3
219.13582	1.6
223.13293	3.9
231.13892	4.8
249.14893	6.6
259.12799	1.7
301.21664	5.8
311.20074	15.5
319.22650	1.9
329.21121	76.3
329.25037	3.7
340.15359	12.4
341.21002	2.3
347.22214	13.6
367.22833	2.5
385.23822	5.9
403.24844	63.5
412.17542	1.7
421.17929	8.3
421.25909	100.0
421.68268	4.7
422.25769	1.6
425.19705	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	421.2587
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03941	3.7
55.01880	7.9
55.05516	35.0
57.03442	3.0
58.26071	1.1
60.73171	1.2
65.03931	1.3
67.05184	1.4
67.05512	22.0
69.03440	5.9
69.07081	6.0
69.45352	7.1
70.06604	1.7
71.04988	2.7
79.05076	1.5
79.05503	22.5
81.03411	4.5
81.06657	1.9
81.07066	22.8
83.04977	3.6
83.08625	16.9
85.02914	3.0
85.06537	3.4
91.05492	14.9
93.07054	13.1
95.04973	9.6
95.08617	9.9
97.02886	1.7
97.06530	4.3
97.10172	31.7
105.07032	14.1
107.04964	25.3
107.08610	18.2
109.02909	1.8
109.06526	3.8
109.10186	7.4
111.08085	2.6
115.05467	2.3
117.07037	6.3
119.08599	9.9
121.06514	14.3
121.10143	5.2
123.04426	9.8
123.08058	5.0
123.11726	1.4
125.05978	1.8
125.09648	21.9
128.06177	1.4
129.07034	7.1
131.04947	3.4
131.08580	5.5
133.06496	4.6
133.10123	4.4
135.08047	6.2
135.11681	3.2
137.06003	7.2
137.09618	1.3
141.06920	2.9
143.08572	3.8
145.06509	12.9
145.10150	6.4
147.04424	4.0
147.08052	5.0
147.11671	5.0
149.09625	3.4
151.07582	1.9
153.09081	4.7
153.12688	1.7
155.08517	2.5
155.14297	2.7
157.06508	4.5
157.10182	4.6
159.08072	4.1
159.11694	2.3
161.05984	2.3
161.09618	3.4
163.11180	4.0
167.07007	3.3
167.08531	2.0
169.10115	2.2
171.08061	3.5
171.11662	2.3
173.09584	3.7
173.13261	2.4
173.15353	1.3
175.11185	4.6
177.12712	1.2
181.10069	1.4
183.06560	2.6
183.08034	2.3
183.11719	2.6
185.09619	2.7
185.13269	2.1
187.11215	3.1
189.09073	2.1
189.11227	9.9
189.12758	2.3
193.10599	1.4
193.12251	8.9
195.08005	1.6
195.11769	2.2
197.09674	1.7
197.13307	2.6
199.11147	3.5
201.75677	1.5
205.12376	1.5
207.11557	1.6
209.13347	1.4
211.13206	2.1
213.12750	2.8
215.14355	4.5
217.12318	2.3
223.13342	2.9
227.14305	1.9
231.13849	1.9
233.15311	6.9
235.13091	6.2
237.12737	3.8
241.14323	5.3
243.08777	3.9
245.15463	1.6
249.14952	1.3
255.13785	4.6
257.15240	1.6
259.09711	2.5
259.13266	2.2
273.14832	12.9
285.11316	1.9
287.16321	2.0
291.15884	3.8
299.12473	1.3
329.21283	1.4
331.20532	2.5
339.23206	5.8
349.21646	17.4
357.24225	5.2
367.22705	57.3
378.15314	2.6
385.23761	100.0
403.13007	1.2
403.24841	40.0
421.16824	1.5
421.25900	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	421.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
55.05493	1.0
58.06578	1.0
67.05489	0.5
69.03423	2.6
69.93416	2.5
70.06567	1.6
71.04972	1.4
72.08160	4.1
81.03371	0.8
83.04946	0.7
84.04469	0.5
84.08120	1.3
85.02912	3.7
86.09682	0.9
91.05473	1.4
93.07034	1.0
94.06546	1.4
95.04933	1.1
95.08595	0.6
97.02871	2.1
97.06521	1.0
98.06029	1.4
99.04448	1.3
103.03936	0.7
107.04919	1.9
109.02881	1.0
109.06523	0.9
109.10104	0.6
111.09211	0.8
113.05976	0.8
115.03890	1.2
119.04923	0.7
123.04391	1.4
123.07925	0.5
125.09628	1.1
127.03915	3.8
128.89760	0.5
130.06505	1.8
132.04440	1.5
137.05951	1.5
137.09727	1.1
137.10733	9.7
138.05487	1.5
139.03876	1.2
140.07014	1.5
145.05026	1.3
147.04384	1.2
149.05968	0.5
151.03867	0.9
151.07565	0.9
151.08640	3.2
151.12250	1.3
153.09071	0.8
153.10194	1.0
156.08090	0.7
157.07613	2.6
158.05965	1.7
159.09210	0.9
165.10246	13.1
167.07086	0.8
168.89308	0.5
169.03246	0.6
173.08095	0.7
175.08665	2.0
182.05980	0.6
184.42778	0.6
185.07054	1.3
193.09715	2.2
195.11275	1.0
197.09274	1.3
202.85132	0.5
207.10162	0.8
210.12410	1.7
212.07045	0.9
216.97993	0.5
222.15891	0.6
225.14951	1.2
236.13936	0.6
241.07303	0.6
245.13867	1.1
250.15514	67.8
251.16092	0.6
262.15524	3.1
268.87109	0.5
274.15634	0.6
279.18079	1.8
285.12305	0.8
304.13043	0.9
307.17645	100.0
308.17947	2.0
348.05347	0.5
364.23398	1.7
403.15671	1.0
421.25592	78.4
422.25778	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1347
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03933	0.4
55.01857	0.4
57.03440	0.9
57.25674	0.4
61.02913	0.5
69.03426	3.3
69.80492	1.8
74.22334	0.4
75.28195	0.4
81.03424	0.6
85.01682	0.4
85.02907	4.6
87.04474	1.5
91.56812	0.4
97.02922	2.0
98.97595	0.7
109.02861	0.7
115.03175	0.4
115.03924	1.9
125.07132	0.6
127.03925	100.0
128.04269	0.5
133.04977	1.1
143.08176	0.8
145.04962	0.9
147.04404	0.9
177.05516	0.5
219.01753	0.5
241.15500	0.6
259.07785	0.4
259.16614	1.8
289.09152	3.9
304.97598	0.5
421.12375	3.6
421.21558	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1342
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03946	3.9
55.01878	1.7
57.03444	3.6
59.05002	7.0
61.02928	3.7
69.03436	13.8
69.86105	7.4
70.06590	4.5
71.04993	4.5
72.08166	1.7
73.02905	4.3
81.03422	16.5
81.07079	1.9
85.02907	66.7
85.06512	2.1
87.04477	21.1
89.00615	1.5
93.07037	1.6
97.02896	36.2
99.03930	1.0
99.04457	43.7
103.03949	61.9
109.02893	21.9
115.03938	77.1
121.78702	1.5
123.04475	1.8
124.92953	1.4
127.03922	100.0
137.05933	1.5
139.03911	5.1
145.04962	56.3
147.04382	2.7
155.07016	3.6
163.06033	21.3
169.04982	3.0
179.06984	1.4
187.06046	6.5
211.51190	1.6
241.07195	3.8
253.07069	2.1
266.16901	1.8
271.08084	8.5
273.12671	2.1
274.12967	8.3
275.84119	1.6
276.58765	1.9
289.09192	3.2
303.71939	1.7
307.10175	2.2
421.16205	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09543	0.5
55.05503	0.8
57.07082	6.5
58.06603	1.2
67.05500	1.7
70.06595	12.3
71.08628	2.4
72.08179	0.7
79.05471	1.1
81.03394	0.6
81.07053	1.0
81.40925	0.5
88.07638	17.7
91.05479	4.8
93.07047	1.1
95.04951	0.8
102.09186	12.2
109.10201	0.6
119.04968	2.4
134.73933	0.7
137.05997	0.8
145.10155	0.8
147.04424	65.6
147.05426	2.9
173.41217	0.6
190.95094	0.6
191.07040	75.9
192.07469	0.9
219.06529	0.8
228.23271	1.2
256.26373	43.9
257.26550	0.9
273.12735	1.7
288.05984	0.8
329.21008	0.8
403.24792	1.2
420.31137	100.0
421.25800	0.9
421.31140	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	420.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.1
55.01867	8.6
55.05512	12.2
57.03436	5.9
62.93827	2.9
67.05505	39.0
69.03432	7.1
69.07063	16.4
71.04982	5.3
71.53879	4.2
76.02232	4.2
79.05497	20.6
81.03432	24.5
81.07060	53.7
82.75169	2.9
83.04991	6.5
83.08620	14.8
84.04533	3.1
84.94572	3.2
85.02916	20.3
85.06532	6.2
86.06058	9.2
88.27064	3.0
91.05485	14.4
93.07043	33.5
95.04981	10.1
95.08614	24.1
97.02947	3.9
97.06500	7.8
97.10173	3.0
98.09710	4.3
103.05468	3.2
105.07029	16.0
107.04964	18.3
107.08604	22.4
109.06544	7.5
109.10173	20.4
111.08088	4.2
113.09673	3.0
117.07038	7.8
118.06557	5.5
119.08602	8.6
121.06525	4.2
121.10146	12.1
121.20921	3.0
123.04436	6.3
123.08093	10.2
123.11713	4.5
123.85003	3.2
125.09634	3.3
129.07001	5.4
131.08539	12.4
133.06488	4.4
133.10118	11.0
135.08015	3.6
135.11690	14.0
137.06012	5.1
143.08528	4.7
144.07945	2.8
145.06488	9.6
145.10124	7.4
147.11697	3.9
149.05980	3.2
149.09587	4.6
149.13284	6.7
151.90221	2.5
156.08443	6.5
158.02734	6.6
159.08005	3.5
159.11729	13.1
163.07458	3.4
165.05431	3.6
167.07068	9.0
169.10126	5.7
172.07373	3.1
173.11763	5.3
175.11122	4.6
177.12755	7.4
187.11258	11.9
195.13794	10.6
202.69202	3.3
203.91281	3.7
205.12228	3.9
223.13268	42.2
223.16798	6.6
229.14403	25.5
241.14369	100.0
243.13791	3.5
244.16998	7.7
244.20576	4.2
250.53955	3.2
269.17487	35.0
271.90475	3.8
272.20169	18.6
273.12674	28.0
275.20020	12.5
288.05777	6.9
290.21103	5.3
349.23709	16.3
367.24652	18.3
374.19653	8.1
392.20715	15.4
402.18961	3.2
402.22968	23.3
420.23776	45.4
421.25623	4.1
443.61618	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	420.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	14.8
57.03428	13.8
57.07083	9.5
58.39714	3.1
67.05512	53.5
68.42349	3.1
69.03442	3.7
69.07059	10.1
69.20444	4.4
69.20751	34.5
70.06604	17.3
71.01365	9.6
71.05012	5.6
71.08636	33.9
77.02303	3.1
79.05513	25.9
81.03416	6.2
81.07065	44.2
83.04983	11.5
83.08629	8.0
83.39029	3.0
88.07655	21.4
91.05481	30.2
93.07047	28.1
95.04979	9.0
95.08617	21.6
96.12102	3.0
97.06516	7.8
97.10259	4.1
98.97554	3.6
99.08093	36.7
102.09187	13.7
105.07085	16.7
107.04953	6.1
107.08598	11.7
107.45900	3.2
109.10178	16.4
117.07036	8.0
119.08598	11.7
121.06538	4.6
121.10178	7.8
125.09611	5.2
131.08551	4.5
132.02069	8.2
133.10129	13.8
135.11671	5.0
139.11198	3.9
139.77280	4.2
145.10103	4.0
147.04448	23.4
147.11711	4.6
149.29967	3.1
151.11179	13.0
158.02699	3.6
159.11723	7.6
161.09648	3.3
161.13255	5.7
163.11217	6.8
163.14815	3.5
173.11781	23.3
175.03938	47.2
179.14305	6.0
180.04163	7.2
193.12367	4.0
219.06549	71.6
228.23274	45.3
229.14450	7.4
253.17976	5.6
259.20526	7.0
269.17447	4.1
273.12677	12.9
277.21710	10.7
296.07492	4.5
329.21152	5.0
351.25363	40.7
393.50430	3.4
420.27457	100.0
421.26056	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	420.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	4.2
55.05511	14.3
57.03440	5.6
57.07076	8.4
65.03943	2.5
67.05504	24.9
68.29858	2.7
69.03428	3.7
69.07059	7.8
70.06588	15.3
70.66013	6.8
71.01340	4.5
71.04986	3.8
71.08632	19.4
79.00270	2.5
79.05506	17.4
81.03406	8.5
81.07065	30.8
83.04994	4.6
83.08621	5.9
88.07632	13.8
91.05470	17.8
93.07040	19.2
95.04975	7.1
95.08622	18.3
97.10152	5.0
99.08118	17.7
102.09186	9.2
105.07003	10.1
107.04959	3.5
107.08602	10.2
109.10133	9.9
110.09647	2.7
111.08054	3.4
116.04749	3.3
119.04949	4.6
119.08561	5.8
121.10138	6.9
121.89530	2.9
125.09663	4.0
129.07030	4.6
131.08571	3.7
132.02054	5.9
133.10092	9.0
133.53656	3.2
135.11702	6.1
137.09610	3.8
145.10121	5.2
147.04427	21.7
147.11713	3.6
151.11151	10.2
159.11700	3.9
161.13214	3.7
173.11725	9.1
175.03928	38.8
179.14362	3.5
180.04155	7.4
209.89240	3.0
219.06520	73.0
228.23245	39.7
229.14249	3.1
243.16035	3.5
253.17923	6.0
259.20523	3.8
269.17465	5.7
273.12671	9.3
277.21542	6.3
288.05865	4.7
329.21063	3.5
351.25430	21.0
403.24600	2.8
420.27435	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.0
55.01865	0.7
55.05513	0.9
57.03434	0.9
57.07071	0.4
58.64595	0.4
58.86279	0.4
60.08790	0.4
61.02966	0.5
67.05509	2.0
69.03432	2.5
69.07067	1.2
69.81061	1.7
71.05002	0.6
72.08164	0.8
79.05510	4.9
81.03422	2.4
81.07063	100.0
85.02911	9.7
87.00839	4.0
91.05481	0.6
93.07085	0.7
95.04977	0.6
95.08615	7.5
97.02907	4.0
98.20779	0.9
99.04465	0.9
105.01877	9.9
105.07047	0.8
109.02885	1.5
109.10159	1.0
116.01693	0.4
117.07067	0.6
127.03931	8.1
127.04807	0.6
137.06006	0.6
137.13266	35.4
145.04973	5.3
154.15923	1.0
158.02693	0.6
159.02950	1.4
162.31543	0.4
181.41570	0.6
206.73508	0.4
229.14485	0.8
231.05070	3.6
249.06082	2.8
273.12589	2.1
284.09781	2.5
420.23657	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62741	0.8
53.03936	1.6
55.05511	1.6
57.03438	1.4
57.06868	0.6
57.07076	7.1
67.05505	6.8
69.03420	3.7
69.07058	2.0
71.54013	1.1
79.05482	4.2
79.22069	0.7
81.03413	2.9
81.07064	37.9
84.04483	1.0
85.02911	10.2
87.00832	2.4
90.05569	0.9
91.05486	1.6
93.07059	1.9
95.08612	44.6
97.02898	7.0
98.09660	1.0
99.04449	1.6
105.01892	7.5
105.07059	1.4
106.67924	0.9
107.08596	1.4
109.02872	2.6
109.06551	0.9
109.10155	4.0
121.10107	1.0
123.23237	0.8
126.05452	1.1
127.03922	9.9
127.68105	0.8
130.11967	0.9
137.13264	100.0
138.13582	1.0
145.04970	5.2
149.68579	0.8
158.02759	1.8
160.88467	0.9
176.86420	0.9
231.04965	4.7
249.06078	2.0
273.12750	6.5
284.09769	2.0
301.94092	0.9
420.32190	1.1
421.25964	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01881	0.6
55.05518	0.5
57.07085	2.0
60.23402	0.4
61.02937	0.5
61.17809	0.3
63.04168	0.4
67.05519	4.1
69.03439	2.2
69.07075	3.0
73.02914	0.5
79.05503	7.0
81.03442	1.4
81.07069	100.0
85.02913	7.0
87.00842	3.1
91.05489	0.7
93.07056	0.8
95.08624	16.3
97.02911	5.8
98.21517	1.0
99.04469	1.4
105.01884	6.0
109.02904	2.0
109.10174	1.0
110.31672	0.4
117.01900	0.4
127.03939	6.8
137.13277	24.3
145.04991	5.6
154.15945	0.7
154.81558	0.4
159.02965	1.5
231.05035	3.2
248.07829	0.6
249.06184	1.0
273.12683	0.7
284.10043	0.6
343.65500	0.5
403.24786	0.5
420.27536	0.5
421.25674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.3
55.01870	9.2
55.05511	10.7
57.03438	6.6
60.12773	2.5
67.05506	43.4
69.03419	3.5
69.07076	8.4
71.04990	4.6
71.53070	4.3
76.20452	2.4
79.05502	24.1
81.03419	38.3
81.07061	47.2
83.04986	6.5
83.08627	5.5
85.02903	12.3
85.06548	3.9
86.06078	8.4
91.05479	18.2
93.07043	28.5
95.04965	8.9
95.08624	24.1
97.06542	5.8
97.10181	3.5
98.09690	3.6
99.08110	3.9
105.07066	16.8
107.04946	17.5
107.08585	14.2
109.06522	7.1
109.10155	10.9
111.08077	4.1
112.70981	2.3
117.06976	12.0
117.56129	2.5
119.08559	11.6
121.06514	9.8
121.10134	7.9
123.04481	5.1
123.08078	15.2
129.07042	3.0
131.08569	10.7
133.06500	2.8
133.10139	6.6
135.11697	17.9
141.07013	4.2
143.08562	2.9
145.06459	14.4
145.10112	4.6
149.09674	4.9
149.13286	12.2
158.02695	4.2
159.11665	19.3
167.07065	4.6
169.10139	6.0
173.11684	4.0
177.12773	10.5
182.05267	3.1
187.11162	14.0
195.13835	10.0
205.12273	4.9
216.13744	3.3
223.13315	54.1
223.16835	3.9
229.14366	17.6
241.14354	100.0
244.17068	4.5
257.18863	3.0
269.17422	19.5
271.13461	3.1
272.20178	3.3
273.12665	22.5
275.20041	8.8
324.52496	2.4
349.23779	7.8
355.98975	2.6
367.24771	12.2
374.19748	3.7
384.18481	3.3
392.20749	13.9
421.25552	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37183	1.0
53.03952	1.2
55.01872	2.7
55.05536	1.3
55.18389	1.1
56.05045	1.3
57.03442	2.8
61.02926	2.7
61.12143	0.9
67.05495	2.3
68.49907	1.1
69.03436	7.9
69.07073	3.2
69.61500	6.0
70.06577	3.2
71.04999	1.2
79.05506	3.6
81.03419	4.5
81.07053	5.3
83.04988	4.0
84.04502	3.9
85.02907	23.8
86.03216	1.0
87.04464	1.2
89.40740	1.3
91.05479	5.4
93.07035	13.2
95.04969	3.8
95.08617	3.4
96.08065	1.1
97.02894	6.2
99.04436	2.0
99.08103	1.5
103.05480	1.5
104.77046	1.0
105.01881	2.3
105.07050	7.1
106.02930	2.5
107.04984	3.1
107.08593	6.9
109.02873	2.5
109.06554	3.9
109.10147	2.4
111.08146	1.4
116.01669	1.7
117.07075	2.1
119.08583	8.1
121.06508	19.3
121.10147	13.3
123.04443	2.1
123.08099	3.0
124.03976	5.3
127.03942	5.4
127.07581	1.5
131.08568	4.5
133.06445	1.2
133.10153	7.0
135.08075	3.6
135.11714	3.7
137.06078	1.4
137.09584	8.4
139.03917	1.5
139.07588	2.7
142.07887	1.1
145.04977	4.1
145.10146	4.4
147.08057	3.3
147.11687	3.4
149.06001	9.5
149.09648	4.8
149.13263	4.7
151.11292	1.3
153.12772	2.8
154.13109	2.6
156.08420	1.3
157.10161	3.6
158.02731	3.0
159.08154	1.5
159.11714	20.8
161.09615	3.0
161.13263	2.6
163.07562	1.7
163.11252	5.2
165.09221	2.3
167.07082	1.7
175.11200	9.3
176.03833	1.5
177.09172	2.2
177.12762	39.8
179.10695	1.4
180.08679	1.4
187.11169	12.4
193.06407	1.4
193.12299	12.3
195.13800	1.4
205.10649	1.0
205.12242	50.3
211.13330	5.5
223.13300	72.3
224.13583	1.4
231.05168	1.7
241.14368	100.0
258.17068	1.6
259.15442	16.5
273.12659	13.2
293.92950	1.1
403.19537	4.9
420.13394	2.1
420.22202	4.8
421.11423	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51073	0.5
53.03947	1.9
54.52159	0.5
55.01868	1.1
55.05516	1.1
57.03437	1.1
57.07071	1.2
61.02914	0.6
63.85418	0.5
65.03941	0.6
67.05511	4.1
68.99796	0.7
69.03442	4.9
69.07061	4.4
69.16434	6.1
73.02915	1.3
79.05499	6.5
81.03423	4.0
81.07059	100.0
83.08630	0.5
83.40305	0.7
85.02912	12.6
87.00823	3.8
91.05470	1.0
93.07045	1.2
95.08612	21.6
97.02898	6.4
99.04466	2.2
103.25926	0.5
105.01878	8.7
105.07079	0.9
109.02886	2.5
109.10181	1.8
117.01894	0.9
119.08666	0.6
121.10139	0.9
127.03928	10.9
135.08015	0.7
135.11597	0.7
137.12210	1.0
137.13260	20.0
145.04974	7.1
152.04277	0.7
157.10182	0.5
159.02951	2.5
172.10887	0.6
189.04018	0.7
193.04967	0.7
217.15935	0.5
231.05035	4.3
249.06158	1.9
262.96793	0.5
273.12805	1.4
284.09918	0.8
295.47589	0.5
345.03360	0.6
409.07559	0.7
420.15485	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.18
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.4
55.05525	0.5
56.04832	0.5
56.05040	5.3
57.03425	1.5
58.22657	0.4
58.99588	3.8
64.07648	0.5
68.05020	0.9
70.02938	0.9
71.32820	0.7
72.04507	1.4
74.00661	1.0
76.02232	6.9
79.05493	1.9
81.07067	7.9
83.06116	0.7
84.04507	12.4
84.08130	0.5
85.01128	2.2
86.00647	2.4
86.99060	2.1
87.02689	2.2
90.05564	4.7
94.06557	0.6
95.08601	2.1
96.08140	1.0
96.85898	0.4
97.01107	0.8
97.06531	0.7
98.02450	0.7
98.06060	0.7
98.09704	10.5
99.08066	1.0
100.09364	0.5
104.01700	3.5
110.09676	2.0
111.02668	0.5
113.04232	4.2
115.05786	1.9
116.01694	8.1
116.07074	2.0
122.09647	1.3
126.05529	6.7
127.05808	1.0
129.06569	1.2
130.04996	2.2
130.06880	2.2
139.05780	1.1
141.06564	0.9
142.03223	1.5
142.04977	0.7
144.06544	1.8
144.10201	0.6
145.06853	0.5
156.08438	12.4
157.06831	4.7
158.02727	21.8
159.07683	1.0
170.11783	6.4
174.09499	6.2
175.05336	0.6
176.03790	6.0
193.06442	5.2
210.11264	1.1
215.04802	0.5
230.08434	2.4
233.05949	1.0
255.11716	1.2
256.09952	1.0
273.12680	100.0
274.11053	1.9
285.12579	1.4
291.13782	1.1
313.12134	3.3
331.13300	3.7
357.15390	0.6
402.17035	2.0
420.18124	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	420.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22990	0.4
55.01882	0.8
56.96573	3.3
57.03431	1.5
61.02930	1.8
69.03436	4.9
70.06584	1.8
71.04978	0.9
71.53056	0.5
72.08142	0.7
73.02908	1.5
74.02454	0.3
78.44803	0.4
80.59642	0.3
81.03422	1.1
81.04539	3.1
81.07027	0.4
82.04889	0.7
83.04943	0.4
84.04495	0.5
84.08121	1.0
84.96037	1.1
85.02427	0.7
85.02915	10.1
87.04445	0.5
87.05580	0.4
97.02902	4.2
98.97597	8.2
99.04478	0.9
99.97964	0.4
101.00874	0.9
109.02878	1.2
110.01276	0.7
110.97574	2.2
112.99157	0.8
115.03994	0.5
116.07093	1.2
116.98633	2.5
119.01871	1.4
119.04933	0.4
124.99146	1.0
126.05553	1.1
126.97104	0.5
127.03928	4.1
127.05038	2.4
128.00214	0.5
128.05455	0.6
128.98618	2.3
130.08693	0.6
131.00168	1.1
131.01886	0.8
133.06099	1.3
134.99661	0.4
136.07587	0.6
136.94025	0.9
140.98618	1.0
143.00206	2.4
143.01929	1.0
144.98096	0.4
145.03448	0.7
145.04965	2.5
146.01253	1.2
146.02306	0.7
147.04407	0.7
152.02306	0.7
152.98628	1.1
154.03795	0.4
155.01872	0.9
155.02927	0.6
155.99693	0.4
157.01761	0.6
158.99677	3.5
160.09702	0.5
161.01241	1.2
161.02962	1.6
163.04414	0.4
163.05974	0.4
164.02339	0.5
166.95135	0.4
167.01839	0.7
168.03429	0.5
168.94966	0.4
170.03395	0.5
170.99699	2.2
173.01401	0.7
173.02960	1.0
173.09225	0.4
174.00880	0.4
174.04546	1.0
177.00722	1.6
182.03391	1.5
182.08064	0.8
182.99713	0.9
183.05150	0.5
184.04668	0.5
184.67735	0.4
185.03020	1.1
186.04521	0.8
188.07701	1.2
189.00760	1.5
191.03889	3.4
200.04431	3.2
200.07643	0.5
201.00775	2.5
201.06184	0.5
203.04109	0.7
204.05603	0.4
204.12410	0.9
206.08784	0.6
207.01901	0.4
209.04951	0.5
212.14857	0.4
212.56001	0.5
219.01779	8.9
219.05260	0.5
220.02223	0.5
226.09299	0.5
227.07115	0.4
231.01776	0.7
232.04948	0.8
233.03496	0.6
235.06735	0.4
236.07550	0.9
237.02849	7.3
240.05711	0.4
244.06917	0.7
245.05051	1.7
246.08275	1.6
247.04866	0.5
249.02859	0.5
249.06517	0.7
251.04359	1.9
257.14972	2.8
258.15317	4.8
261.02887	1.8
262.06070	0.5
263.05994	0.6
264.07706	0.5
269.05402	3.9
272.06552	2.2
272.56757	0.5
276.07437	0.6
279.03940	1.1
281.07080	6.6
281.57327	1.5
287.06348	0.5
291.04099	0.4
291.09576	0.4
303.07526	3.8
309.05054	0.4
319.03748	0.5
319.08664	0.4
321.04916	0.7
321.08536	6.7
347.03128	1.2
362.09741	1.8
365.03998	2.9
365.08609	0.5
392.12091	0.8
420.12582	100.0
421.12946	2.0
425.11758	0.7
441.09470	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
54.03470	0.3
55.01868	0.4
55.05497	0.8
57.03436	1.1
57.07078	0.4
57.21804	0.3
59.05002	1.6
61.02924	3.7
61.29494	0.3
69.03426	2.3
69.07076	0.6
70.02794	0.6
70.03210	1.0
70.06578	0.3
71.05002	3.4
72.08160	0.6
73.02917	1.0
79.05496	1.2
81.03460	1.3
81.04543	48.6
81.07055	7.3
83.06106	1.3
85.02905	3.9
87.00824	0.4
87.08116	0.9
95.06072	0.6
97.02924	1.9
98.21449	0.5
98.97591	0.6
99.04465	0.5
99.05616	0.4
99.08073	0.6
105.01842	0.6
107.04957	0.4
109.02885	0.9
127.04053	1.5
127.05041	43.1
128.05385	0.3
137.10762	3.6
139.03928	0.8
145.04982	0.4
153.10292	0.8
159.02963	0.4
161.10744	0.4
163.03922	0.5
163.12314	4.8
168.06586	0.7
171.06557	1.0
179.11795	4.3
193.13374	0.6
195.06651	0.5
207.11266	4.0
211.14426	5.8
225.12326	12.1
237.07550	0.4
239.13980	1.0
257.14960	100.0
258.15356	1.3
265.29562	0.3
305.68753	0.3
419.14594	0.5
419.20230	16.6
420.11847	1.3
420.20804	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01867	1.8
55.05522	0.7
56.48553	0.3
57.03416	0.6
57.07077	2.4
61.02933	0.6
65.03956	0.4
67.01868	0.5
67.05499	1.2
68.99799	1.0
69.03432	3.5
69.07066	0.8
71.04993	2.4
71.53988	0.5
73.02922	0.8
79.05484	1.3
81.03418	2.6
81.07052	2.0
85.02908	6.2
85.06545	1.2
86.09745	0.5
87.00832	3.7
91.05481	1.8
93.07061	2.7
95.04969	0.7
95.08610	1.9
97.02913	1.7
97.06527	1.3
99.04453	1.0
103.05463	0.5
105.01880	3.2
105.07041	2.3
107.04960	1.5
107.08583	2.0
109.02866	1.9
109.06530	0.5
109.10136	1.0
115.03931	0.5
117.07011	0.6
117.37833	0.3
119.08623	2.1
121.06499	0.4
121.10159	0.5
123.04428	0.9
123.08125	0.6
127.03914	3.5
128.06177	0.3
129.06982	0.8
131.04929	0.8
131.08562	1.1
133.06543	0.8
133.10141	0.4
135.04434	1.6
135.05283	0.3
135.11685	2.8
137.02385	0.4
137.13319	0.7
143.08565	0.7
145.04948	1.5
145.06448	0.6
145.10126	0.9
147.08066	1.1
147.11656	0.8
148.05232	0.5
149.06000	0.5
149.09633	0.5
153.01845	4.4
153.12755	9.4
153.13954	0.7
157.10147	0.4
159.02904	0.7
159.08037	1.2
161.02382	0.5
161.05960	0.6
161.09789	0.3
163.07605	0.4
163.11160	0.5
165.12769	1.2
167.07068	3.2
168.43356	0.4
171.02855	0.4
171.07961	0.4
171.13815	1.5
173.05962	0.6
173.09599	1.3
175.07564	0.5
177.05518	0.9
177.12823	0.5
179.03421	0.5
181.04979	2.3
181.08578	0.4
183.06516	1.0
184.12126	0.4
187.07535	0.9
189.12741	0.7
191.07057	2.4
191.10678	0.7
201.03918	0.7
205.08536	0.4
208.09126	0.3
209.08226	1.6
217.08621	0.5
219.10194	0.7
219.13815	0.4
231.04967	1.1
243.13910	1.7
247.09727	0.4
249.11302	2.8
257.91422	0.3
261.14832	0.8
269.04449	0.4
280.14862	0.3
287.05508	100.0
288.05829	3.3
307.09741	0.3
315.08585	0.5
330.10913	0.9
337.10797	0.5
347.15057	0.5
365.15872	1.3
369.13416	0.7
383.17126	0.4
401.16153	1.9
419.09909	0.6
419.16724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70628	2.6
55.01873	18.1
55.05510	5.2
57.07069	2.9
58.72442	2.9
58.82088	2.9
59.06201	2.6
63.59081	2.6
65.03934	5.1
67.05487	7.0
67.86661	2.7
69.03433	6.3
71.04979	4.4
71.53955	3.6
76.87055	2.8
79.05492	8.7
81.03431	7.5
81.07074	7.3
81.15023	3.1
84.08152	3.8
85.02906	10.0
91.05483	9.5
93.07037	7.2
95.04977	6.0
95.08608	8.5
97.02905	4.6
97.06592	3.6
101.98495	3.2
103.05452	7.4
103.59753	2.6
105.07045	10.3
107.04962	20.0
107.08610	5.9
107.23914	3.0
109.02867	6.3
109.06543	3.4
115.05453	3.6
117.07017	4.5
119.08586	7.2
121.06532	3.5
121.10134	3.1
123.04414	8.3
123.08120	3.2
125.06000	6.3
127.03960	6.5
130.05064	3.5
131.04913	8.0
131.08594	8.9
133.06506	5.0
135.07933	3.0
135.11610	3.5
137.05974	3.8
139.03882	3.5
141.06964	4.0
144.05693	5.8
145.06454	8.6
147.04454	3.8
149.06010	5.2
153.05455	4.7
156.05724	5.2
159.08052	11.5
159.11690	4.3
161.06000	7.2
163.07587	7.0
167.07060	80.3
173.06024	9.2
177.05450	17.9
181.04974	33.2
181.08626	3.2
183.06657	5.0
187.06120	3.7
187.07593	6.4
190.06360	3.1
191.07045	27.3
193.08617	6.2
203.07214	3.3
203.09039	3.0
205.08633	14.0
207.06572	3.7
208.05251	13.0
209.08095	34.3
217.08733	14.7
219.10213	9.2
229.02527	2.9
231.05103	4.8
231.08102	4.3
231.10191	4.2
236.04686	5.6
245.09804	3.1
247.09941	6.9
248.08183	3.7
249.11237	13.1
254.05711	6.9
255.06506	9.8
256.06918	9.4
257.07040	15.8
264.07922	3.9
269.08130	18.9
271.09653	5.4
272.20145	6.2
277.08673	5.2
282.08984	5.2
287.05554	36.8
287.08640	5.7
290.21252	6.3
291.10004	3.8
307.09604	4.8
315.08655	63.9
319.09933	3.4
323.12814	4.3
330.10989	100.0
331.11700	4.9
339.12396	5.8
343.11807	5.9
351.12213	13.1
369.13269	5.5
383.14969	13.3
401.15909	21.8
419.15570	9.0
419.24701	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	419.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.9
55.01880	23.1
57.03433	8.3
57.07063	3.6
58.52834	3.2
67.05503	6.0
68.99798	3.7
69.03421	20.8
69.07053	8.2
70.06583	3.9
70.93042	4.4
70.93364	3.2
71.04075	2.4
71.04985	9.8
74.20233	3.4
78.55450	2.7
79.05501	14.9
79.61931	2.7
81.03412	15.3
81.07056	11.7
83.04968	3.0
85.02917	37.5
85.06551	6.7
85.95912	3.0
86.03218	3.8
87.00826	13.8
91.05492	14.5
93.07061	16.0
95.04975	11.3
95.08610	17.9
97.02911	13.4
97.06526	5.2
99.04440	5.0
103.05469	13.7
103.70700	3.4
105.01882	15.6
105.07039	15.2
107.04958	15.1
107.08582	11.6
109.02904	13.7
109.10163	7.1
111.08092	5.0
115.05464	8.5
117.07026	5.6
119.08573	5.5
120.08182	3.1
121.06542	4.3
123.04449	21.1
123.08106	3.1
123.11728	5.9
127.03944	28.6
128.04233	4.2
128.06216	3.0
129.07004	9.1
131.04938	15.3
131.08575	11.4
133.06462	8.3
135.08064	6.6
135.11690	14.6
136.08446	7.2
137.05968	10.6
137.79401	2.9
139.03908	9.9
141.07027	5.5
143.08575	3.6
144.05743	7.4
145.05031	13.6
145.06512	8.8
145.10072	4.8
147.08052	3.0
148.05170	6.8
149.05965	5.7
151.07506	3.7
153.12733	15.2
156.05846	2.9
157.06493	7.6
159.02983	7.0
159.08058	15.7
161.05988	9.0
163.07530	11.3
166.06190	4.0
167.07065	100.0
169.07671	3.3
170.07291	5.8
171.08043	3.4
171.13792	3.8
173.05951	10.5
175.07436	3.6
177.05475	24.8
177.09154	3.0
181.04999	39.4
181.08597	21.1
183.06593	14.9
187.07556	12.4
189.09012	3.2
191.07042	43.4
193.08580	7.3
204.07828	6.3
205.06731	2.8
205.08636	11.0
207.10202	6.1
208.05240	6.1
209.08134	37.8
217.08633	9.3
219.08223	5.5
219.10173	16.6
221.08044	6.2
224.79483	3.0
231.04947	5.9
231.08070	5.3
231.10149	6.2
235.07539	3.3
239.20087	4.3
247.07506	5.8
247.09753	9.4
248.08377	3.7
249.09117	2.4
249.11263	61.9
254.05649	4.0
264.07941	5.9
265.10809	3.7
269.08139	9.4
276.07971	4.5
279.10278	3.5
285.07568	4.6
291.10355	5.8
293.07904	4.0
307.09668	5.5
315.08606	32.2
330.11020	58.0
337.11038	4.3
339.12280	3.4
343.11548	6.4
351.12119	4.5
369.13318	16.2
383.15039	9.9
387.14252	4.2
389.15717	7.2
401.16312	31.8
419.16745	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	419.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52221	1.9
53.03942	14.2
55.01879	14.0
57.03427	7.8
59.07101	1.9
61.02931	13.4
65.03928	5.5
65.05305	2.0
68.99792	9.8
69.03092	2.2
69.03432	36.9
69.19876	20.9
71.04977	7.0
73.02927	11.8
76.02213	5.5
79.05494	5.7
81.02981	4.0
81.03416	39.1
83.01314	2.6
83.04982	2.7
84.04478	2.5
85.02909	100.0
87.00304	2.9
87.00833	44.5
90.05577	4.2
91.03926	4.1
93.03388	3.8
97.02895	43.0
97.06551	11.6
98.06828	4.4
99.04460	18.1
103.03917	6.7
105.01874	28.7
107.04949	27.1
109.02888	37.1
111.04454	20.1
112.14679	1.8
114.32085	2.0
115.03875	2.2
117.01835	7.6
121.06523	3.9
122.09372	1.9
125.05959	3.4
127.03924	68.4
129.01852	9.7
135.04379	9.8
139.03917	42.3
145.03914	2.9
145.04965	34.9
147.02888	9.5
147.04440	3.8
149.02307	2.4
149.05978	3.1
158.02727	4.4
159.02904	32.0
163.03903	32.4
167.07211	2.0
170.80394	2.6
171.06528	70.5
177.03972	2.2
177.05446	5.3
181.04984	13.0
183.06372	2.7
189.03871	6.0
191.07109	2.0
192.04103	2.7
193.06412	11.9
194.06728	7.1
195.06514	46.2
205.05046	4.5
207.06500	7.3
209.08086	3.9
213.07619	28.6
222.05209	4.6
231.04973	8.7
233.08058	7.3
237.07574	27.7
257.14975	2.4
261.07562	21.4
279.08682	31.1
416.55911	2.0
419.11472	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	419.0975
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
52.90551	0.1
57.21141	0.1
60.81712	0.1
67.01852	0.5
68.99802	0.3
69.42512	0.9
85.02892	0.2
87.54716	0.1
89.03897	0.1
97.02881	0.1
109.02926	0.2
114.36744	0.1
115.15105	0.1
116.61033	0.1
117.03382	0.3
125.01035	0.1
127.03936	0.2
135.04446	1.4
137.02359	0.3
153.01843	4.6
161.02347	0.5
171.02905	0.1
179.03339	0.2
185.06023	0.1
203.03600	0.1
213.05415	0.1
219.06509	0.1
231.06299	0.1
241.04977	0.4
245.04523	0.2
259.06122	0.1
269.04465	0.4
273.29547	0.1
287.05518	100.0
288.05801	1.2
392.34497	0.1
419.09332	0.5
419.14267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.0
55.01878	8.9
55.05522	30.6
57.03431	12.0
59.04966	3.8
62.36862	4.2
67.05510	100.0
69.03404	3.9
69.07073	48.9
69.42997	7.2
69.43408	18.7
71.01357	6.3
71.04970	6.8
79.05499	54.9
79.63492	3.9
81.03417	19.7
81.07068	83.4
83.04977	10.1
83.08630	14.8
84.70640	4.1
85.06546	7.2
91.05492	49.6
91.41127	3.9
93.07053	50.1
95.04968	12.4
95.08617	40.1
97.06536	14.8
97.10165	6.7
98.21488	6.9
105.07046	33.7
107.04984	10.9
107.08596	25.0
109.06497	6.7
109.10163	47.8
111.08111	5.8
113.35261	4.1
114.45603	4.2
117.07030	11.3
119.08591	25.8
121.06577	5.9
121.10158	18.5
123.08171	8.2
123.11727	8.2
125.09634	5.0
129.07059	4.9
131.08578	12.4
133.10158	24.5
135.08093	7.0
135.11699	24.4
137.09692	9.4
143.08592	6.2
145.10164	20.7
147.11703	11.6
149.09607	12.8
151.11050	5.3
159.11737	9.5
161.13293	7.2
163.11220	11.3
171.10146	7.5
173.11879	8.3
173.13214	7.2
179.14278	4.9
229.14369	35.6
243.15999	5.3
253.18106	8.2
255.15953	11.3
257.18994	8.7
275.20004	21.1
287.05624	5.8
349.23880	32.0
383.24075	18.4
418.27557	7.1
421.68503	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	418.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55283	1.6
53.03942	10.9
53.61155	1.8
55.01860	7.3
55.05497	8.7
57.03432	7.8
57.07064	3.2
61.02910	4.0
65.03931	2.8
67.05488	9.3
68.99818	2.2
69.03428	24.4
69.07050	4.2
70.06240	9.1
70.06580	2.6
71.04975	4.2
73.02906	5.2
73.67484	1.9
79.05502	23.7
81.03422	23.3
81.07059	31.0
85.02909	66.9
85.06544	47.4
87.00837	28.3
91.05484	30.4
93.07047	100.0
95.04951	5.4
95.08584	7.8
97.02898	41.7
99.04482	11.5
105.01189	3.8
105.01867	50.1
105.04517	2.4
105.07033	12.0
107.08598	97.7
108.08924	2.4
109.02892	29.2
109.06500	2.8
109.10156	3.5
115.03924	3.4
116.07110	2.3
117.01859	2.6
117.06996	2.6
119.08566	3.6
121.10043	2.4
123.04357	2.4
126.05409	2.6
127.03918	57.6
129.01863	2.2
133.10077	4.4
135.11699	60.3
137.13249	5.6
145.04945	33.1
147.08067	2.1
147.11807	2.4
151.12804	2.4
159.02916	13.4
161.13185	2.3
166.05028	2.5
167.07053	14.4
168.07391	8.9
176.14555	2.0
180.13860	2.5
181.04938	7.2
182.05313	3.7
189.03880	2.5
203.17918	2.0
204.13858	4.4
205.14119	5.9
206.15356	5.7
207.15756	11.1
231.05028	22.3
240.40619	2.3
249.06168	11.2
256.11816	3.4
258.09909	2.6
283.10736	7.8
284.11072	20.4
294.21866	2.1
301.11707	5.6
302.12167	12.5
319.13065	5.2
320.13165	12.7
329.11511	2.5
330.11722	9.7
333.11673	9.2
372.19763	3.0
388.14764	5.1
400.19501	18.2
418.15704	8.8
418.20590	8.2
434.94687	2.1
443.49500	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97924	0.4
52.48490	0.3
53.03947	2.6
55.01877	2.6
55.05502	1.5
57.03441	2.1
57.07075	0.4
59.04995	1.0
61.02932	1.7
65.03942	0.7
67.05508	2.3
67.99559	0.3
68.99802	0.8
69.03433	11.1
69.07068	1.2
70.25513	0.4
71.01365	0.5
71.05000	2.4
71.53625	0.3
71.54022	0.6
73.02924	3.6
77.03916	0.4
79.05062	0.5
79.05495	6.4
79.48338	0.3
81.03425	9.4
81.07058	100.0
82.07428	0.5
83.01376	0.6
83.05004	0.5
84.08156	0.7
84.09940	0.4
85.02907	28.5
87.00830	14.0
87.04454	0.4
90.07632	0.3
91.03977	0.6
91.05479	4.2
93.07048	27.9
94.81015	0.4
95.04986	1.1
95.08171	0.3
95.08610	11.8
97.02897	22.0
97.06535	0.3
99.04453	6.6
105.01869	23.0
105.04580	0.5
105.07011	2.3
107.08600	25.2
109.02883	13.0
109.06598	0.4
109.10151	1.0
111.04477	0.5
115.03934	2.3
117.01881	1.2
117.06969	0.5
119.08616	1.1
121.10134	0.5
123.04420	1.0
123.96686	0.4
124.04818	0.5
125.02393	0.5
127.03922	25.8
129.01839	0.8
130.08670	1.3
131.08527	0.3
133.05003	0.4
133.10146	0.5
135.11697	37.0
136.12082	0.4
137.05994	0.9
137.13258	42.9
138.06325	0.6
145.04964	14.1
147.02979	0.7
147.04366	0.4
153.12773	0.5
157.10132	0.4
159.02885	5.7
161.04448	1.2
161.06012	0.4
162.06355	0.5
163.07498	0.7
167.07103	1.2
168.07413	0.4
168.90962	0.3
177.12842	0.6
181.04979	0.5
186.02852	0.4
189.03987	0.5
213.03975	1.4
219.05040	0.6
221.15424	0.5
226.56702	0.3
231.05011	9.5
231.07227	0.6
246.27292	0.3
247.04634	0.5
249.06068	6.5
261.14700	0.5
265.05490	0.6
272.00009	0.4
286.11649	0.6
289.09171	0.7
307.10248	0.6
365.16086	0.7
383.16995	0.5
418.15836	0.4
418.20898	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.0
53.57356	1.0
55.01862	2.9
55.05518	32.9
57.03442	20.4
57.06835	1.3
57.07086	19.1
59.05006	1.2
67.05509	46.3
68.21876	1.1
69.03430	2.4
69.07076	53.4
71.04993	3.3
71.08646	11.0
73.06549	2.0
75.04476	4.4
78.56281	1.0
79.05061	1.8
79.05497	21.2
81.03403	1.3
81.07065	59.0
83.04980	4.2
83.08628	42.6
83.09124	1.9
85.06533	4.9
85.10191	5.8
91.05482	8.1
93.07055	29.1
95.04951	1.1
95.08616	49.4
97.06546	14.1
97.10187	25.2
99.08103	4.8
101.06036	2.7
101.09643	1.3
105.07040	4.6
107.08598	24.1
109.10172	30.2
109.10925	1.5
110.66403	1.0
111.08089	10.6
111.11733	5.7
115.07577	3.5
119.08606	4.0
121.09317	2.3
121.10157	32.0
121.11038	1.8
123.11725	15.6
125.09643	9.0
129.09094	1.8
131.07082	2.5
131.08604	3.1
133.10155	8.1
135.11702	24.8
137.09613	1.4
137.13249	3.7
139.11165	8.0
145.10143	2.1
147.11703	2.7
149.13275	15.3
151.11189	1.9
153.12749	6.4
154.73500	1.1
157.12274	1.7
163.14830	5.6
167.07054	3.8
167.14377	3.7
171.13800	2.2
173.13268	1.3
181.04929	1.9
181.15872	2.0
185.15454	1.2
205.19534	16.9
215.17982	4.9
218.15225	1.1
223.20578	13.9
233.19044	2.3
241.21667	2.4
251.20067	8.4
263.32434	1.2
269.21097	6.0
287.22186	100.0
325.23761	37.6
343.24838	46.3
399.27402	14.0
417.28525	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	417.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
53.80766	1.1
54.66326	1.2
55.01867	2.1
55.05516	33.5
57.03443	23.9
57.07079	21.8
59.04994	1.3
67.05509	41.6
69.07073	53.2
69.94811	2.8
69.95200	2.0
71.04987	3.8
71.08642	14.2
73.06561	2.2
75.04464	4.7
79.05500	21.4
81.07063	56.8
83.04971	5.8
83.08625	42.3
85.06526	4.5
85.10167	5.7
91.05468	5.2
93.06470	2.1
93.07047	29.7
95.08613	48.1
95.71127	1.0
97.06526	17.8
97.10175	20.8
98.20793	1.5
99.08089	3.4
101.06001	1.9
101.09692	1.2
105.07027	3.4
107.08605	21.4
109.02886	1.7
109.09470	2.0
109.10165	27.1
111.08080	11.2
111.11697	5.9
113.06051	1.4
115.07575	3.0
117.06979	1.3
119.08594	3.2
121.10155	28.3
123.07980	1.1
123.11721	15.7
125.09652	10.7
125.13277	1.6
129.09116	2.7
131.07043	3.9
131.08531	1.3
133.10138	7.5
135.11700	24.0
137.09627	2.3
137.13257	3.5
139.11177	11.0
143.10710	1.2
145.10161	1.4
149.13257	16.7
151.11148	2.5
153.12762	5.9
157.12326	1.9
163.14844	5.6
167.07025	1.4
167.14305	3.4
171.13832	2.7
185.15295	1.3
205.19547	21.4
215.18112	5.2
215.19739	1.1
223.20596	15.8
233.19044	2.6
241.21574	2.2
251.20018	10.5
269.21069	6.7
287.22180	100.0
325.23782	42.6
343.24829	44.8
366.91956	1.4
399.27444	22.8
417.28500	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	417.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93035	1.7
53.03956	4.3
55.01875	4.6
55.05510	13.8
57.03442	22.6
57.07084	2.6
61.02928	52.1
61.42527	1.7
65.03934	3.3
66.98445	1.6
67.05506	49.8
69.03430	24.7
69.07069	10.5
71.01351	6.8
71.04984	6.0
71.53745	2.0
71.54127	1.7
73.02921	21.3
79.05498	48.1
81.03423	22.3
81.07058	26.0
83.01334	1.7
83.04989	14.8
83.08624	4.1
85.02907	44.2
85.06551	4.6
91.03964	29.1
91.05479	19.0
93.07042	54.6
95.04973	7.7
95.08588	7.3
97.02898	42.3
97.06541	15.8
97.10168	8.1
99.04424	10.1
100.33109	1.8
101.02405	8.7
103.03942	6.6
103.05463	1.6
105.04507	2.8
105.07024	6.8
107.04967	4.6
107.08609	32.4
109.02885	9.5
109.10151	6.8
111.04466	2.5
111.08110	2.7
111.71468	1.6
115.03940	2.3
117.07043	4.9
119.08556	8.7
121.06505	3.1
121.10178	10.0
125.09623	6.1
127.03916	21.3
129.05460	3.1
130.06549	4.5
133.10138	6.6
135.11699	100.0
143.10678	1.7
145.04961	4.6
145.06480	2.5
145.10123	14.2
153.12782	1.9
163.11180	17.8
167.07063	19.6
169.10199	1.8
181.04985	7.8
181.12230	44.1
181.13716	3.4
183.06520	6.4
199.13330	4.6
201.07542	2.6
229.14452	3.3
237.14738	3.1
255.15910	93.6
283.15369	3.6
285.07452	3.1
297.16937	6.0
307.42468	1.7
363.17841	3.6
399.20203	7.1
417.15247	7.3
417.21167	18.7
417.25201	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	417.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01873	1.2
55.05501	3.1
57.03436	2.1
65.03938	1.7
67.05503	4.0
68.01053	0.7
69.03439	1.4
69.07058	2.0
69.33739	5.4
71.33810	0.7
74.83589	0.8
79.05516	4.6
81.07059	9.8
83.05001	0.8
83.08622	0.9
85.02908	1.8
88.08225	0.9
91.05479	2.2
93.07050	1.5
94.06542	0.8
95.05017	1.4
95.08595	2.1
96.08124	2.4
97.02929	1.1
97.06498	1.1
99.08092	1.3
100.11244	1.1
103.05488	1.3
105.07033	1.4
106.04077	0.8
107.04937	2.1
107.08584	2.3
109.10156	3.6
115.05456	0.8
117.07025	3.1
119.08573	1.1
123.04429	2.7
124.07581	4.9
126.09124	0.8
131.04953	1.4
133.10161	1.2
134.09691	1.4
135.11647	1.0
136.07562	1.1
138.05531	0.8
138.09097	1.1
145.06474	2.0
147.06735	1.3
147.11678	0.8
148.05164	1.0
150.05553	1.4
152.03458	1.8
152.07047	2.1
155.05943	1.1
162.09171	4.0
163.07487	1.0
164.10719	4.3
166.05003	8.8
167.07047	35.8
168.06564	1.3
171.09193	0.9
173.05957	6.5
175.05061	0.9
176.03436	2.8
176.14389	1.8
177.08687	0.7
178.12259	0.9
178.15958	1.2
180.13835	3.5
181.04950	15.4
184.09886	1.8
191.07011	2.9
192.02963	1.9
194.04474	1.6
198.07887	3.1
199.08549	3.8
199.12399	0.8
200.10722	2.7
204.13837	11.4
205.08566	1.1
206.15419	12.8
207.16112	0.9
208.16994	2.5
209.10730	1.1
211.08746	1.0
211.12289	1.2
212.09355	5.0
213.10254	1.4
222.14893	3.1
225.10222	1.6
226.07362	1.8
226.11026	2.0
227.08206	2.1
227.11787	6.1
228.10170	3.2
228.12291	0.9
229.14221	1.0
233.08089	3.3
235.09660	1.6
237.10223	1.5
239.08244	1.2
240.08932	3.6
241.09785	3.9
242.10553	1.9
243.07674	1.4
244.08430	2.1
253.09793	1.7
255.11372	9.4
257.09204	7.3
257.12790	2.8
265.09695	2.2
269.09229	3.1
270.09964	3.6
273.12332	2.5
283.10776	100.0
284.11130	1.2
285.07617	3.7
285.12244	3.6
286.09491	1.5
287.10248	12.1
288.10995	2.4
300.10968	1.2
301.11835	57.9
302.12054	0.9
319.12885	59.3
320.13144	1.1
327.09613	0.9
329.11340	25.8
339.16891	1.8
353.18243	1.1
357.18149	7.6
371.19446	1.9
381.18231	1.5
387.14523	6.0
399.19177	46.4
400.19150	0.8
417.15289	12.6
417.20227	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.6
53.03933	0.9
53.54873	0.6
55.01859	0.6
55.05503	2.3
57.03428	2.3
63.89777	0.6
65.03923	1.7
67.05499	4.2
69.03426	0.7
69.07061	1.9
69.42986	4.4
78.04700	1.2
79.05502	4.2
81.03390	1.0
81.07059	10.0
83.08585	0.7
85.02906	2.3
85.56931	0.6
86.36038	0.7
91.05484	1.5
91.41792	0.5
92.05001	0.7
92.90569	0.6
93.03400	0.9
93.07043	2.1
94.06540	1.2
95.04940	1.0
95.08584	2.4
96.08112	2.7
97.02891	0.6
97.06502	1.3
99.08082	1.0
103.05482	1.0
105.07030	1.4
106.04185	0.8
106.06560	1.1
107.04940	1.7
107.08588	2.3
108.08083	0.7
109.10166	3.5
110.09716	0.6
111.04443	0.8
115.05460	1.9
117.07016	2.2
119.08592	1.0
121.06475	0.8
121.10126	1.0
123.04447	2.7
124.07612	5.5
125.05968	0.6
130.25430	0.6
131.04927	0.6
131.07104	0.6
134.09645	1.2
136.07564	1.1
136.11253	1.1
137.05992	1.3
138.05461	0.6
138.09123	1.2
145.06462	1.8
148.03984	0.7
148.05164	0.7
150.05563	1.1
150.12769	0.9
151.03918	0.6
152.03426	2.1
152.04634	1.2
152.07027	1.9
155.06024	1.6
162.09145	4.2
163.07544	1.6
164.10733	4.8
166.05008	9.2
167.07050	39.1
168.06505	0.8
171.06654	0.7
171.09137	1.0
173.05965	5.8
176.03442	2.4
176.14355	2.4
178.05087	0.9
178.12253	1.3
178.15910	0.8
180.13858	3.1
181.04959	17.9
182.09473	0.7
183.09155	1.0
184.09932	0.7
184.11359	0.7
191.07030	4.0
192.02930	1.8
194.04527	1.8
198.07877	2.3
199.08591	3.5
199.12431	0.6
200.10712	2.4
204.13853	11.6
205.08549	0.9
206.15413	14.8
208.16988	2.3
209.10736	1.8
210.04120	0.7
210.14807	0.9
211.08705	1.7
211.12314	1.5
212.09407	6.3
213.10193	2.7
214.08736	1.1
214.10928	1.1
222.14902	4.4
225.10210	1.2
226.07321	2.2
226.11044	1.7
227.08136	2.2
227.11778	9.0
228.10347	4.4
228.12199	1.0
229.13708	1.1
233.08136	2.5
235.09613	1.2
237.10223	2.3
239.08177	1.6
239.11877	1.1
240.08919	4.7
241.09744	4.3
242.10419	2.5
243.07664	1.6
244.08496	2.3
253.09758	1.4
255.07486	1.0
255.08420	0.9
255.11314	12.0
256.11835	0.8
257.09189	8.1
257.12906	3.4
258.10062	1.0
265.09796	1.9
269.09143	3.9
270.09979	4.9
272.11682	0.7
273.12396	2.5
283.10779	100.0
284.11118	2.3
285.08945	0.9
285.12338	2.4
287.10275	13.3
288.10980	3.0
296.10049	0.8
300.11206	1.0
301.11853	62.1
302.12091	1.4
319.12909	58.4
320.13120	1.4
325.14474	0.8
329.11313	24.2
339.17065	1.9
353.18576	1.5
357.18109	9.6
363.84961	0.6
371.19620	1.2
381.18076	1.8
387.14432	5.4
399.19159	44.2
400.19446	1.2
417.15332	13.9
417.20245	31.7
419.49701	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.8
55.05519	4.8
55.73312	1.6
57.03443	2.6
62.97032	1.5
65.03935	2.3
67.05509	18.9
69.03439	11.2
69.07084	1.8
70.19261	3.5
70.19650	3.9
71.04986	4.3
72.08159	1.9
79.05498	5.3
81.03419	7.3
81.07063	13.0
83.04957	3.2
83.08607	2.1
85.02908	21.0
86.09714	3.1
87.00831	9.7
91.05489	7.1
93.07032	3.9
95.04967	20.5
95.08604	4.0
97.02893	6.4
97.06557	2.2
99.04420	3.7
100.07639	2.2
100.11275	8.5
103.05498	2.9
105.01852	9.3
105.07066	3.7
106.04199	1.9
107.04962	3.8
107.08600	7.8
109.02892	7.7
109.06528	69.9
109.07267	4.1
109.10163	92.8
111.04445	4.0
115.05508	3.1
117.07037	5.1
119.06062	2.0
119.08616	2.4
121.10159	3.4
123.04435	6.7
123.08113	9.3
123.11722	13.8
124.05213	1.9
127.03920	10.7
128.07083	2.8
131.08481	2.2
133.10149	7.1
145.04982	4.8
145.06490	6.8
149.09619	2.6
151.11192	100.0
155.05983	2.7
155.07074	3.1
161.08202	2.1
167.07053	84.9
169.12267	28.4
173.06012	13.2
181.04944	18.7
182.15416	6.8
205.08614	4.8
210.14920	6.5
213.62134	1.8
223.09105	2.1
231.05042	1.9
233.08054	4.7
235.09570	3.6
247.81480	2.0
255.19472	1.7
373.18301	2.8
381.24084	2.3
387.14474	13.9
399.24957	7.8
417.15726	35.2
417.21527	3.3
417.22440	3.1
417.27890	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	417.1544
Annotation	(-)-Podorhizol
Peak:m/z	Relative Intensity
53.03945	1.9
55.01871	1.8
57.03432	1.0
59.30342	0.9
65.03935	1.8
67.05490	3.5
67.72326	1.0
69.03422	2.4
71.04558	2.2
71.04916	1.8
73.02913	1.1
78.04724	1.9
79.05502	7.4
81.07047	3.7
84.08125	3.9
85.02889	4.5
85.06516	1.2
91.05480	4.7
95.04978	4.8
95.08596	1.8
97.02887	2.9
103.03941	3.9
103.05460	3.4
105.07028	5.1
107.04937	4.6
107.08586	1.4
109.02846	1.3
109.06543	5.5
115.05408	3.0
117.07017	4.2
119.04922	2.6
119.08575	2.0
121.06478	2.6
121.10176	1.0
123.04433	74.0
124.05214	1.3
128.06235	1.9
129.07050	1.4
131.04948	2.0
131.08571	1.2
133.06500	5.3
133.10101	1.5
135.04419	7.6
135.08023	1.6
137.05980	100.0
145.06490	8.7
147.04413	30.3
147.08075	2.0
149.06007	7.3
151.07498	4.2
152.04684	1.6
153.05548	1.1
155.05910	1.4
159.04330	1.5
159.08078	2.3
160.05202	1.9
161.05981	30.0
162.06735	2.8
163.03934	1.1
163.07545	17.3
165.05406	2.0
167.07047	55.4
173.05988	12.6
175.07503	5.5
177.05377	2.4
179.07016	4.2
181.04962	24.6
185.05983	2.8
187.07509	3.3
189.05482	15.9
191.07039	6.4
201.05502	2.4
203.07011	7.2
205.08543	3.0
213.05463	2.4
215.07008	2.1
217.08559	2.4
219.06526	3.0
219.68105	0.9
231.06508	8.6
233.08093	5.6
235.09645	2.4
245.08124	5.5
249.07581	5.7
255.06618	1.4
259.09671	1.4
263.09174	4.7
267.08688	3.7
271.06009	5.8
281.10056	3.3
285.08023	1.3
285.11218	29.0
297.11145	11.4
309.11066	2.7
321.11246	1.3
339.12247	8.6
348.20679	1.0
351.12256	1.4
358.53925	1.0
363.12164	3.6
381.13440	8.3
384.64917	1.3
387.14331	5.8
399.14343	4.9
399.31900	1.3
417.15341	18.6
417.20898	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	417.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22694	0.6
55.01859	0.9
65.79066	0.6
69.03432	1.0
70.06587	1.5
71.53030	0.8
72.08149	1.0
74.06077	0.7
75.05961	0.6
76.02214	2.7
79.05493	0.7
84.04492	1.5
84.08149	3.6
85.02882	1.1
86.09694	1.4
90.05521	2.0
91.05460	0.7
97.06538	5.1
105.07076	1.4
116.01660	1.2
119.06069	19.9
122.09701	1.2
127.12320	1.5
130.05035	0.9
137.07065	0.9
138.05527	1.3
138.07896	0.7
147.04378	2.2
147.05530	2.7
148.03979	1.4
148.06316	9.6
149.04683	2.1
149.07108	55.3
150.05548	1.2
158.02715	3.2
165.06609	41.0
166.07388	7.3
168.77016	0.7
170.43425	0.8
176.03723	1.5
177.05521	1.1
183.07637	2.4
193.06383	5.3
211.36911	0.7
233.05914	1.5
237.08643	1.2
255.09772	100.0
256.10013	1.0
322.10672	1.2
371.13940	0.7
417.14993	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
63.42472	0.4
67.05524	0.5
69.29527	4.0
70.02943	0.5
71.05018	0.5
79.05481	0.6
81.03423	0.6
81.07049	0.7
81.28542	0.5
85.02918	1.3
91.05505	0.5
92.18710	0.4
98.70493	0.5
105.03382	0.6
119.08556	0.5
120.21848	0.5
145.06476	0.7
146.85286	0.4
165.74670	0.4
167.07060	4.7
169.04756	0.7
169.08342	2.8
173.05995	1.0
181.04993	0.9
267.06509	2.2
268.07202	1.0
271.04318	1.4
285.07578	1.8
293.08136	0.5
297.07553	2.9
307.09848	0.5
321.07834	0.8
331.13736	5.6
351.09015	0.5
373.14728	40.7
374.15036	0.8
381.09827	1.2
399.10812	0.8
415.19315	0.5
417.13687	100.0
418.13904	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	417.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98796	0.7
53.03924	1.9
55.01878	1.9
55.05505	2.2
57.03441	1.9
58.67905	0.7
58.86950	0.8
62.12042	0.8
65.03932	2.9
67.05497	3.6
68.99791	1.1
69.03422	3.0
69.07058	3.1
70.06591	1.3
71.04975	1.9
71.53791	0.9
78.04704	2.9
79.05492	5.4
81.03405	1.8
81.07073	5.7
82.04202	1.4
83.04971	1.2
83.08615	1.0
84.08124	2.0
85.02902	5.8
85.06536	1.9
91.05467	3.8
93.03391	1.0
93.07056	3.8
95.04971	2.9
95.08608	4.8
97.02873	1.9
97.06525	1.7
99.04461	1.0
103.03945	1.2
103.05463	3.9
105.03384	3.5
105.07014	2.2
106.04190	1.4
107.04958	4.8
107.08622	3.9
109.02888	1.2
109.06509	1.6
109.10140	2.7
111.04440	1.1
111.08080	1.3
115.05442	4.3
116.14946	0.7
117.07037	6.2
119.04984	0.8
119.08575	3.0
121.02869	1.4
121.06507	0.9
121.10123	2.9
123.04434	6.9
123.11721	0.9
124.05215	3.0
125.06014	1.9
125.09628	2.3
127.03903	1.4
127.11186	1.1
129.03401	2.5
129.06987	1.0
131.04930	2.9
131.08592	1.8
133.06557	1.1
133.10123	3.3
135.04390	0.8
135.11720	1.6
137.05960	2.1
138.03085	1.0
139.11163	1.3
141.01822	0.9
142.02734	1.0
143.10649	1.6
145.06476	8.3
145.10141	1.0
147.04437	2.2
147.11682	1.4
148.05174	1.7
148.44516	0.7
149.02339	1.1
151.03931	1.6
151.11169	1.9
152.04688	2.8
152.60533	0.8
153.05475	1.7
155.05983	4.2
161.06001	1.4
161.09619	0.7
161.13268	0.8
163.03854	1.2
163.07558	2.1
165.01830	9.6
167.03377	2.8
167.07051	100.0
169.09752	17.1
170.73608	0.8
171.06570	1.2
173.05984	16.4
173.13004	0.7
175.07599	1.0
177.01765	1.0
177.16351	3.9
181.04965	37.5
183.02872	1.4
184.29698	0.8
187.03958	1.3
191.07047	7.8
195.06577	1.2
201.05418	1.1
201.16383	1.2
205.08617	4.0
207.06496	0.8
213.18503	1.3
217.08585	0.9
219.10092	1.0
219.17493	1.7
233.08003	7.4
235.07553	0.9
235.09634	3.4
237.18512	2.5
239.06844	1.0
251.07100	8.4
254.05701	1.7
255.06554	7.2
255.19502	0.9
263.06937	1.1
265.08704	5.6
267.06531	75.8
268.07236	6.3
269.08118	1.1
271.05811	1.0
279.06528	9.5
279.09985	2.3
281.04730	0.7
281.08072	2.6
283.06049	1.8
285.07568	1.5
289.08572	2.8
291.06503	1.6
292.07324	2.4
293.04587	2.1
293.08044	17.6
297.07599	54.7
305.08093	2.6
307.09625	9.3
309.07523	1.5
311.09048	0.9
313.07022	1.6
313.16238	1.1
317.08176	2.9
319.13010	1.4
321.03818	1.6
321.07602	31.9
322.08270	1.1
333.07635	9.1
335.09122	1.7
337.07043	1.3
345.07559	8.9
351.08652	16.8
351.57239	0.8
363.08652	17.0
381.09705	16.5
387.14413	14.0
399.10492	9.1
399.14590	1.2
417.15399	34.9
417.20865	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	417.1181
Annotation	5,6-Dihydroxy-7-methoxyflavone 6-O-beta-D-xylopyranoside
Peak:m/z	Relative Intensity
57.03431	0.2
66.24400	0.2
69.99529	0.6
69.99930	0.3
79.05468	0.3
81.07066	0.4
81.97237	0.1
84.96125	0.2
93.07029	0.2
98.20920	0.3
104.71825	0.1
105.07082	0.1
109.10155	0.2
119.75518	0.1
124.07596	0.4
132.30972	0.2
133.06517	1.1
135.04303	0.1
153.01837	0.8
159.04395	0.3
162.09201	0.2
166.04987	0.5
167.07021	1.0
181.04997	0.5
182.92340	0.1
200.10796	0.1
204.13840	0.6
206.15430	0.4
207.25647	0.1
211.08752	0.2
212.09521	0.3
227.11763	0.4
228.09993	0.2
242.05748	12.8
255.11337	0.4
260.20795	0.2
266.36819	0.2
270.05246	10.6
283.10800	3.4
285.07584	100.0
286.07919	1.0
287.10248	0.5
299.10263	0.2
301.11850	2.3
319.12888	2.5
329.11328	0.9
357.17957	0.4
387.14343	0.2
399.19244	1.7
417.11661	0.5
417.16037	0.2
417.20322	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	417.1183
Annotation	Toringin
Peak:m/z	Relative Intensity
53.03942	0.7
55.01876	0.6
55.05486	0.9
57.03424	0.7
60.78564	0.6
65.03915	1.8
67.01839	0.6
67.05512	3.3
68.99767	0.8
69.03387	1.8
69.07034	1.2
70.06564	0.7
71.04951	0.8
71.54512	1.1
78.04691	1.4
79.05476	3.0
81.03395	1.7
81.07058	4.9
83.08596	1.0
84.08138	0.9
85.02905	5.0
85.04374	0.6
85.06530	1.1
91.05444	2.0
93.03429	0.7
93.07025	2.4
95.04950	1.5
95.08618	3.4
97.02863	1.8
97.06496	1.3
99.08055	0.7
103.05479	3.3
105.07004	2.7
106.04148	1.0
107.04970	3.6
107.08566	2.1
109.02842	1.1
109.06497	0.6
109.10135	1.8
110.03619	1.1
115.05422	2.4
117.07028	4.0
119.04920	0.6
119.08575	1.9
121.06516	0.6
121.10106	1.8
123.04433	4.3
123.11718	1.6
124.05180	1.2
125.05991	0.9
127.03860	1.5
129.03380	0.7
131.04938	1.2
131.08540	0.7
133.10149	5.1
134.10463	4.4
135.11688	1.3
137.05986	1.3
145.06502	5.4
145.10117	1.3
147.04376	0.9
147.08073	0.7
147.11655	2.4
149.13210	0.8
152.04675	1.2
153.01831	3.3
153.05467	1.1
154.46646	0.8
155.06026	2.7
161.05965	0.9
163.07513	1.5
165.12708	1.7
167.07054	60.7
171.06522	0.9
173.05989	8.9
177.16368	1.4
181.04985	25.7
191.07063	6.6
191.17859	1.2
195.06548	0.7
201.05515	1.1
205.08659	1.7
217.08711	1.2
219.17525	0.7
229.14433	0.7
233.08165	4.2
235.09764	1.3
237.18449	1.9
255.06540	100.0
271.06052	10.7
285.07507	1.1
325.16489	0.8
343.23938	0.6
371.15018	0.7
387.14395	8.2
399.14502	1.3
417.15518	20.3
417.20831	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	416.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01854	1.1
55.05510	9.7
57.03421	1.5
57.07083	1.2
67.05185	1.0
67.05509	16.3
69.03418	1.0
69.07072	9.3
69.93707	2.8
69.94112	2.3
70.06596	0.9
71.04983	2.1
76.02222	2.2
79.05501	24.3
81.07063	22.0
83.04967	2.6
83.08624	5.4
85.02902	1.3
85.06513	1.4
86.09676	1.5
87.04460	0.9
91.05482	14.0
93.07048	35.3
93.07633	2.0
95.04969	1.5
95.08617	18.5
97.02909	1.0
97.06530	3.1
97.10169	2.1
105.07039	13.3
107.08601	24.3
109.02926	1.0
109.06512	2.8
109.10160	7.4
117.07023	5.1
119.08586	10.9
121.06474	1.5
121.10152	13.2
121.47582	1.0
122.02706	6.5
123.08053	1.4
123.11739	2.4
125.04200	0.9
127.03963	1.5
129.06966	2.0
131.08575	5.9
133.10124	8.1
135.08015	1.3
135.11694	18.4
143.08589	1.9
145.10124	4.8
147.11684	7.6
149.13277	12.9
151.11168	0.8
157.10086	2.1
159.11668	3.1
161.13309	5.8
163.11093	1.6
163.14810	3.6
167.07007	6.9
171.11696	3.9
173.13248	3.1
175.14720	1.4
177.12865	1.1
180.13843	1.5
181.04996	2.0
185.13283	2.0
189.12799	1.4
193.12282	1.3
195.13834	1.3
199.14786	2.2
204.13797	1.5
206.15436	3.6
207.13747	1.4
213.16391	1.6
221.15314	2.6
222.67851	0.9
224.16444	1.1
235.16948	1.6
241.19504	3.6
259.20596	9.6
275.20062	4.0
277.21643	100.0
283.10782	4.0
285.07523	5.5
291.17743	4.0
295.22681	4.6
296.55408	1.0
301.11810	2.7
309.18762	6.0
319.12836	2.3
328.15872	1.4
329.11417	1.6
352.23236	1.2
370.23975	1.3
380.22424	3.0
381.20941	3.5
398.23633	12.1
399.21936	3.7
416.24496	12.7
417.20316	1.4
428.26526	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01862	2.3
55.05271	1.5
55.05516	25.2
57.03441	9.0
57.07081	13.2
57.11153	0.7
61.02930	1.1
67.05507	16.3
68.99798	1.6
69.07073	35.7
70.12452	4.0
71.04990	3.5
71.08638	7.7
77.14935	0.7
79.05493	11.6
79.69561	0.7
81.03416	1.0
81.06584	1.5
81.07063	28.8
83.04962	2.1
83.08620	28.3
83.09119	1.5
85.06545	2.4
85.10188	3.2
87.00836	14.9
91.05476	8.4
92.00018	0.8
93.07050	14.8
95.04967	0.7
95.08613	20.8
95.29094	0.8
97.06545	4.5
97.10172	16.9
99.08087	0.9
104.06269	1.1
105.01849	4.4
105.07044	2.4
107.08597	13.5
109.10174	10.0
111.08082	3.5
111.11720	4.2
115.05453	1.0
115.07566	1.3
117.07040	1.8
119.08588	100.0
120.08918	1.0
121.10150	14.4
123.11731	6.5
125.05993	1.3
125.09644	2.7
125.13245	1.5
129.09163	1.4
131.08569	0.9
133.06479	1.1
133.10146	1.3
135.08162	1.1
135.11711	11.5
137.13271	4.2
139.07578	1.6
139.11194	3.6
143.03389	3.3
145.10129	0.9
147.11705	1.3
149.13280	8.6
151.14828	1.5
153.12704	2.3
163.14816	4.2
167.10738	0.8
167.14276	1.9
171.13855	1.6
173.13252	1.1
177.16440	1.3
181.15915	1.5
219.21088	16.1
237.22147	45.8
255.23196	33.0
277.21686	1.4
279.23187	3.0
295.22903	1.8
296.26010	1.4
297.24280	2.6
305.21194	0.9
311.25757	3.0
323.22192	13.7
329.26828	6.1
341.23300	7.8
359.24411	1.6
397.25958	7.5
397.30789	1.2
415.26910	38.7
415.31723	1.5
438.53735	0.8
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
63.51837	1.7
67.05494	3.8
69.03429	6.3
69.07064	3.7
69.64307	10.8
70.06586	3.9
74.87914	1.9
79.05483	4.5
81.03406	4.9
81.07049	2.3
85.02928	13.0
86.09742	2.5
87.00838	5.7
90.07361	2.0
91.05474	7.0
93.07041	2.8
94.04187	2.7
95.04997	2.3
95.08594	5.5
97.02877	4.9
98.20847	3.8
105.01881	9.9
105.07018	6.1
107.04954	5.0
107.08618	2.6
108.59997	2.0
109.02865	3.8
109.25961	2.1
111.04436	1.9
111.70646	2.2
119.04929	4.6
119.08605	3.4
121.10172	2.7
122.03679	4.7
127.03902	9.3
129.07016	5.0
131.08533	4.6
137.05983	64.7
137.09660	3.7
144.05754	3.2
145.04970	4.4
145.06471	3.1
149.05974	5.6
151.03949	2.4
151.07529	10.1
153.07040	2.7
155.08565	3.6
157.06474	3.7
159.08134	4.8
161.06056	11.4
161.09573	2.1
165.06990	5.7
167.07091	4.3
167.08505	2.3
171.08060	4.6
172.08784	3.8
174.06715	2.7
175.07510	2.6
182.07266	5.6
183.07910	4.5
184.08784	6.3
185.09596	7.1
187.07529	6.3
189.09030	2.8
191.07042	2.5
197.09656	10.8
198.06725	15.1
199.07544	11.0
200.08397	2.3
201.09126	2.4
211.07545	3.4
212.08328	4.9
213.09119	24.4
215.10674	6.4
225.09077	14.2
231.04996	3.2
231.10161	4.4
243.07993	3.1
243.10187	25.9
245.11852	4.1
255.10136	7.2
261.11273	4.9
273.11255	75.7
274.11600	2.2
275.10730	2.0
305.11789	2.9
317.11908	2.3
321.11252	2.7
349.14334	3.8
351.12399	3.5
367.15433	4.2
379.15558	3.7
397.16504	100.0
415.14896	3.5
415.19778	4.2
415.26801	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	415.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.5
55.01865	9.1
55.05503	10.1
56.05037	3.9
57.03428	12.4
61.02919	12.1
67.05507	7.2
68.40205	3.1
68.99794	8.3
69.03435	36.9
69.07063	6.8
70.06584	13.6
71.04975	8.7
71.53613	3.9
72.08137	7.3
73.02906	8.4
79.05478	10.7
81.03432	17.3
81.07053	8.1
83.04987	4.4
84.08164	3.6
85.02910	100.0
86.09705	23.4
87.00833	53.0
91.03959	4.4
91.05487	12.8
93.07037	12.4
94.24136	3.1
95.04932	4.6
95.08651	5.4
97.02898	50.9
99.04455	13.4
103.03920	22.3
105.01872	44.2
105.07096	8.0
107.04958	37.4
107.08556	6.8
109.02895	26.5
109.06532	5.1
114.14860	2.9
117.06988	4.3
118.97294	3.8
119.04929	13.2
120.08114	10.2
121.06527	16.0
121.10101	6.4
123.04430	3.9
123.11717	3.4
127.03924	56.1
129.01807	5.2
129.07004	4.5
131.04944	46.3
131.08575	6.6
132.10217	4.3
133.06558	5.6
133.10175	4.3
135.04448	3.8
137.05981	11.3
141.06964	4.4
144.05710	10.2
145.04938	22.7
145.06454	15.2
145.10124	3.4
147.02875	4.3
147.04428	6.1
147.08040	4.3
149.06001	60.0
149.09583	14.9
151.07498	4.4
157.06522	7.3
159.02908	10.7
159.08119	4.8
161.09589	4.9
167.07066	15.9
167.08266	3.1
167.10602	6.3
169.06488	5.4
171.02936	6.1
171.08072	2.9
173.05963	34.3
173.09651	26.1
180.93111	3.3
185.09608	8.8
187.07584	5.4
187.11150	3.2
189.03934	26.8
191.10672	14.4
197.06013	5.2
197.09708	5.4
199.07571	4.3
211.11191	5.6
213.09250	7.6
215.07097	17.3
215.10625	23.8
217.12114	4.3
231.04956	4.0
233.11726	8.3
235.13307	5.7
239.10677	11.3
251.95767	3.4
257.11703	21.4
273.11203	7.5
275.12903	4.2
287.03925	4.5
355.10364	3.6
371.16684	10.7
397.16452	8.4
415.15585	58.1
415.23013	95.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1009
Annotation	3'-Deoxyderhamnosylmaysin
Peak:m/z	Relative Intensity
51.54384	3.7
56.96562	5.4
57.03437	8.5
61.02932	9.3
63.08996	3.7
65.43330	4.0
68.33014	3.6
69.03434	16.8
70.02677	18.2
70.06587	3.8
71.04976	4.3
73.02933	9.8
75.68238	4.1
81.03436	8.7
85.02907	49.9
87.04447	4.2
87.90153	4.0
94.06590	4.5
96.01553	4.2
97.02898	15.5
98.97601	23.5
109.02906	7.7
110.97594	5.0
115.88719	5.4
116.07107	5.9
116.98636	6.0
119.01931	6.5
127.03933	16.3
133.03539	4.1
138.05508	4.7
145.04953	8.5
149.01265	4.2
158.99751	5.9
161.02977	5.0
177.00714	4.6
178.65527	4.1
183.05029	5.5
213.03444	12.0
219.01811	9.8
223.05034	5.7
229.06624	6.5
235.06834	5.9
244.07204	5.2
255.74448	3.7
265.07993	5.0
276.74106	4.4
289.47665	4.3
397.11877	5.3
415.10071	100.0
415.15030	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	414.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.1
57.79819	2.4
58.90094	3.0
67.05499	9.1
69.07076	3.9
69.46535	6.1
69.46966	9.5
71.08632	11.0
79.05485	6.5
81.07047	13.3
83.04995	2.6
85.02898	2.8
91.05451	10.4
93.07050	13.4
95.08614	7.0
97.40006	2.0
98.21453	4.0
99.08089	4.4
105.07020	4.9
107.04982	3.1
107.08579	6.5
109.10191	2.5
119.08591	15.7
121.10146	7.5
133.10121	4.6
135.11703	7.9
141.09067	2.6
151.11142	2.4
159.11513	2.2
161.13306	3.8
161.18294	2.3
165.62576	1.9
179.14336	25.3
274.83578	2.0
277.21594	17.9
351.25320	100.0
414.35599	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	414.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04209	1.3
55.05506	3.4
59.04992	1.8
65.03963	1.2
67.05509	5.3
68.05046	2.3
69.03436	3.3
69.07062	4.2
70.06597	37.0
70.22434	2.4
70.22829	2.7
71.05013	2.2
72.54337	1.1
77.95518	1.0
79.05500	6.5
80.05043	1.6
81.07056	8.3
83.04982	2.2
83.08652	1.9
84.08154	2.0
85.02921	6.6
85.06543	3.8
90.06070	1.3
91.05486	12.2
93.07076	7.4
94.06576	2.5
95.04981	2.1
95.08611	3.9
96.08138	3.9
97.02892	2.1
97.06535	2.7
98.20775	1.4
99.04412	1.3
100.07623	6.6
103.01103	1.1
105.07047	13.9
107.04932	1.4
107.08607	7.7
108.08126	1.4
109.06550	7.3
109.10169	4.1
111.08073	1.7
114.05535	3.9
115.05392	1.1
116.07087	2.9
117.07045	3.1
118.07865	1.0
119.08587	16.0
120.08122	4.2
121.06487	2.7
121.10169	6.0
122.09684	3.2
123.04442	1.4
123.08086	4.3
123.11697	3.0
127.03949	1.9
128.07085	13.8
129.07016	2.9
130.07811	2.7
131.08582	30.6
133.10158	8.0
134.09662	2.8
135.08075	2.3
136.11258	3.5
137.09607	2.6
140.07191	1.0
141.06989	2.2
142.07813	4.2
143.07558	1.5
143.08514	7.4
145.04988	1.3
145.10115	15.2
146.09570	1.7
147.08105	1.6
147.11714	10.5
148.11227	3.9
149.09589	1.5
151.07503	2.3
154.08716	2.0
155.08635	1.9
156.09344	2.5
157.10144	11.0
159.08101	3.3
159.11697	4.0
161.09608	1.5
161.13235	1.4
162.12793	3.4
163.03911	1.8
163.11230	1.5
165.12758	2.7
166.08647	2.2
166.12305	1.6
168.08911	1.8
168.10236	28.2
169.10172	2.8
170.10886	1.3
171.11696	6.4
173.13330	3.2
174.03989	5.9
175.11223	4.9
178.08658	4.8
179.08676	2.6
181.10350	3.2
181.12277	2.2
183.11702	3.1
185.13342	3.6
187.14854	1.3
189.12787	2.4
190.15898	2.0
192.10240	2.6
194.11887	6.3
195.11778	2.3
197.13245	3.5
199.11247	1.2
199.14842	3.4
203.14395	2.2
207.11859	1.5
207.13866	4.7
208.12473	1.3
209.13290	2.5
215.14360	2.2
217.15863	1.4
221.15358	12.1
223.11549	2.2
223.14929	2.6
225.16528	1.4
226.10727	1.2
232.13350	1.5
234.15079	3.4
235.16975	1.6
246.14941	2.0
258.14935	1.4
265.19528	1.6
267.06528	3.6
299.20093	1.5
336.12805	1.3
354.13797	1.9
356.22168	2.7
370.27411	6.0
378.19254	1.3
383.11224	2.8
396.25522	2.5
414.26434	100.0
415.27188	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	413.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28969	1.4
55.01872	1.7
55.05267	1.8
55.05516	32.3
57.03440	14.8
57.05312	1.2
57.07082	34.7
63.42950	1.1
67.05508	15.6
69.03394	1.7
69.07076	49.2
69.24569	11.3
71.08282	2.1
71.08640	24.7
71.42779	1.2
72.17267	1.1
75.04481	2.1
75.78661	1.4
79.05491	7.7
81.07063	23.4
83.04975	3.2
83.08154	2.0
83.08627	34.2
85.06543	1.5
85.10197	10.3
91.05473	1.3
93.07043	9.5
95.08617	23.5
97.06528	7.1
97.10173	19.9
98.44648	1.2
99.08133	1.5
99.11729	1.7
104.93938	1.4
105.07042	1.9
107.08620	8.3
109.10162	10.9
111.08092	4.6
111.11713	5.0
115.07561	1.9
119.08677	1.4
121.10165	8.9
123.11707	5.5
125.09638	4.4
125.13277	1.4
129.09090	1.6
130.95369	1.4
133.10097	1.3
135.11716	8.3
137.13229	2.8
139.11182	4.8
143.10588	1.4
149.13303	6.8
153.12756	4.6
157.12254	1.5
157.68655	1.2
163.14815	5.0
166.06360	1.3
167.14314	2.3
177.16423	3.0
181.15825	1.2
191.17982	2.0
195.17545	2.3
219.21100	1.5
223.20636	1.7
251.23654	1.7
303.30524	4.4
321.31592	11.4
341.73727	1.4
356.62283	1.3
395.35303	15.3
413.17429	2.0
413.36292	100.0
414.36588	3.1
429.10583	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	413.217
Annotation	(+)-Ixerin H
Peak:m/z	Relative Intensity
53.03944	9.9
55.01863	3.2
55.05519	10.0
57.03440	19.5
61.72713	1.1
63.61887	1.5
65.03928	1.6
67.05507	29.5
69.03078	2.2
69.03434	33.5
69.07053	8.2
69.50972	7.7
71.05003	8.8
73.02902	4.8
79.05498	22.3
81.03420	40.2
81.06586	2.5
81.07059	50.0
82.06967	1.3
83.04984	21.8
83.08620	7.5
85.02912	17.4
85.06522	2.4
87.04464	2.3
90.64661	1.3
91.05486	18.1
93.06484	1.7
93.07049	29.4
95.04977	6.3
95.08601	13.7
97.02898	20.7
97.06514	6.7
99.04458	9.9
99.08092	1.8
101.02352	1.6
101.48756	1.4
102.40787	1.3
103.03961	4.8
105.07027	12.1
107.04951	3.4
107.08588	19.1
109.02873	10.8
109.06497	2.7
109.10175	2.9
111.04475	6.8
111.08064	3.0
113.06050	1.8
117.07040	8.4
117.07755	1.3
119.08572	4.9
121.06493	4.5
121.10145	8.7
123.11708	3.5
127.03908	12.3
129.05508	6.5
129.07004	3.2
131.08594	7.6
133.06476	3.2
133.10117	10.5
135.08041	1.8
135.11711	8.5
137.05978	5.0
143.08560	1.9
145.05011	1.8
145.06427	1.9
145.10101	2.6
147.08040	1.5
147.11702	5.7
149.09662	1.8
149.13272	17.2
157.10138	2.9
159.11668	14.1
163.07556	2.0
165.12714	3.2
166.66757	1.3
173.13478	1.3
175.11096	1.6
177.12794	8.9
177.14169	2.1
183.06561	2.9
184.24431	1.3
195.13817	20.0
201.07660	1.7
206.26146	1.5
207.20036	1.3
213.14879	4.5
219.13834	1.7
225.53493	1.4
237.88860	1.2
239.14241	1.3
249.14723	1.6
261.15005	3.3
263.09308	1.5
267.16031	1.7
269.17517	14.6
275.16449	3.4
297.17023	2.9
297.24023	1.4
303.16125	2.5
321.16891	2.8
339.18057	7.7
339.86029	1.4
377.19440	2.9
395.20624	8.3
413.21704	100.0
425.52109	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	413.2147
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
57.03419	0.7
63.49720	0.4
67.05486	0.7
69.03418	1.5
69.07069	0.5
70.06586	0.5
71.52959	0.5
79.05497	0.5
81.03403	0.7
81.07034	0.6
85.02904	3.1
86.09734	0.5
87.00819	1.0
91.05476	0.7
93.07068	0.9
95.08582	0.4
97.02890	1.1
99.04497	0.5
105.01874	0.8
105.07011	0.5
107.04965	1.7
109.02899	0.6
113.31248	0.4
115.12824	0.4
120.08035	0.5
121.06491	0.5
127.03922	1.1
130.05161	0.4
130.80124	0.4
131.04942	1.4
132.41963	0.4
133.06554	0.4
135.11694	0.4
145.04936	0.7
145.06546	0.4
145.10120	0.5
149.05968	2.4
159.02921	0.5
164.07149	0.5
173.06041	1.1
273.11133	0.5
413.21439	100.0
414.21658	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2147
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
51.35238	0.5
53.41991	0.5
57.03432	0.6
69.03416	2.2
69.07060	1.0
69.56924	3.2
70.06592	0.7
75.41486	0.5
81.03416	1.2
81.07034	0.9
84.08118	0.9
85.02914	3.2
86.09724	0.6
87.00833	0.9
87.08129	0.5
91.55394	0.5
93.06994	0.6
97.02883	1.4
99.04429	0.7
103.03927	0.9
105.01901	1.0
105.07001	0.8
109.02842	1.0
110.03184	0.9
119.08546	0.7
127.03938	3.1
145.04968	1.5
145.10057	0.8
147.08070	1.0
153.96396	0.6
162.52257	0.6
163.11177	0.8
203.05415	0.6
233.11818	0.7
383.20413	37.7
395.20453	0.7
413.21417	100.0
414.21817	1.1
417.46024	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38342	0.7
55.15765	0.7
67.05489	1.4
69.03426	1.4
71.53876	1.1
79.05515	1.4
81.07041	3.2
83.04987	0.9
85.02899	1.0
93.07053	1.2
95.08581	1.2
107.08595	1.2
113.53973	1.0
185.04254	6.6
227.07492	0.9
251.12563	100.0
252.12851	1.5
255.11317	0.9
269.12131	1.2
287.13727	1.2
315.13309	1.1
413.17691	87.2
414.17914	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	413.1417
Annotation	t(6)a
Peak:m/z	Relative Intensity
55.15279	0.3
56.05033	0.9
57.03429	0.3
59.19621	0.3
67.05503	0.4
69.03424	0.5
70.06586	1.1
71.49496	0.6
74.06081	2.4
81.03436	0.5
81.07045	0.8
84.04527	0.4
84.08154	0.4
85.02908	1.4
86.09721	0.5
94.04075	0.4
97.02921	0.4
102.05534	1.4
105.07089	0.4
110.03513	0.6
116.07078	0.4
119.03556	2.5
119.04913	0.4
120.06583	7.9
127.03867	0.6
136.06187	100.0
137.04570	1.7
147.04408	1.0
149.08122	0.4
153.04086	4.3
153.23248	0.5
154.02495	0.7
162.04115	62.9
163.07372	0.4
167.07051	0.4
167.15855	0.4
177.05493	0.6
201.00742	0.8
251.11241	2.4
268.10431	1.2
281.09930	58.4
294.08270	0.6
315.34622	0.4
369.05722	0.7
413.04892	4.1
413.13388	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	412.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.4
55.01873	7.0
57.03432	8.2
60.37801	2.8
61.02932	7.2
66.89324	2.3
69.03432	32.8
69.07074	9.0
69.27834	20.5
71.04990	4.6
73.02926	10.7
81.03425	24.8
85.02912	100.0
87.00832	41.7
87.08114	15.9
97.02899	50.4
99.04456	13.8
105.01871	74.0
109.02901	26.7
117.01862	4.3
119.10648	3.9
127.03925	74.8
129.01817	4.5
145.04973	46.8
147.02895	3.5
147.10188	7.9
159.02919	22.0
185.39337	2.5
213.03963	5.2
231.05023	22.1
249.06125	5.7
365.01074	2.5
413.21506	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	412.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.05519	1.6
57.03437	2.2
66.54692	1.2
67.05508	1.8
69.03433	10.3
69.58275	8.6
71.04988	5.3
73.02927	2.6
81.03421	13.8
83.04998	1.5
85.02913	76.6
87.00847	2.4
87.08138	1.9
93.55847	1.5
95.04981	3.1
97.02908	16.0
99.04466	38.4
103.03951	93.0
105.01891	1.5
107.08575	1.6
109.02895	18.2
117.05475	1.5
127.03928	100.0
137.02371	1.6
137.06041	1.3
145.04974	59.4
146.03468	1.5
147.10185	1.6
147.65585	1.5
163.06024	55.6
187.06023	5.5
205.07045	3.8
235.10086	1.8
271.08170	5.7
289.09146	4.9
302.14783	1.9
307.10294	11.7
319.16382	1.3
353.97955	1.5
368.20621	2.8
376.18274	2.3
377.17941	2.5
412.23245	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	411.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35083	1.6
52.66698	1.8
53.03935	2.5
55.01875	3.0
55.05513	11.4
56.96570	4.3
57.03439	4.2
57.07075	2.2
61.02918	3.1
63.67754	1.5
65.03926	2.6
67.05508	24.7
69.03441	13.4
69.07071	19.0
69.45699	13.5
70.06599	4.4
71.04993	13.1
72.08154	2.8
73.02912	1.7
73.06548	3.3
73.50940	1.8
79.05495	20.3
81.03419	22.4
81.07058	54.4
83.04989	6.3
83.08627	6.6
84.04501	1.9
84.08115	2.6
85.02911	15.9
85.06547	19.2
86.09673	4.1
91.05479	18.4
93.07041	29.0
95.04971	19.5
95.08611	30.2
97.02917	5.6
97.06544	5.4
97.10170	3.0
97.81357	1.9
98.97597	12.9
99.04452	4.1
99.08093	24.1
103.05463	4.9
105.01855	3.3
105.07042	15.2
107.04960	6.1
107.08614	22.6
109.02904	4.1
109.06538	13.3
109.10155	31.8
110.10476	2.8
110.97526	2.5
111.04430	1.9
111.08085	5.2
111.11687	2.3
113.05984	1.9
113.09654	5.6
115.05469	2.3
115.07563	4.2
116.07166	1.9
116.98670	2.3
117.07029	5.8
119.08588	15.6
121.06541	5.2
121.10149	18.4
123.08078	4.7
123.11706	7.1
125.05947	2.1
125.09605	5.1
127.03937	7.7
127.07570	3.2
127.11199	10.4
128.02266	2.1
128.11545	8.1
129.01857	1.8
129.06996	4.2
129.09123	3.9
131.04903	6.7
131.08586	6.9
133.06578	2.1
133.10120	9.8
135.08058	17.6
135.11690	13.9
136.07591	2.3
137.06006	8.6
137.09596	17.6
137.13245	3.2
139.11172	4.4
143.08559	4.3
143.10683	2.2
145.05031	1.8
145.06468	9.6
145.10121	7.8
147.04433	2.2
147.08037	4.3
147.10258	2.0
147.11705	9.5
149.09602	8.3
149.13269	2.2
151.11264	3.4
152.05630	2.2
153.09146	1.9
153.12767	4.8
157.10130	2.9
158.99680	7.5
159.08092	2.5
159.11703	3.2
161.05974	2.1
161.13274	4.8
163.07553	15.9
163.11172	1.9
165.09126	8.2
165.12859	2.2
167.10686	1.9
169.12321	2.0
170.99646	2.4
173.09503	2.6
173.13303	3.1
175.14899	2.6
177.00763	3.2
177.16382	7.7
179.55075	1.8
187.11154	2.4
187.14854	2.9
189.16594	2.3
191.08220	2.2
193.15918	6.2
195.13792	2.5
195.17444	8.2
199.14818	2.1
201.16418	7.3
203.05328	2.5
203.14398	2.7
207.09834	1.8
211.14842	3.2
213.18474	17.1
215.09322	5.0
216.10147	10.5
216.60294	2.6
219.01732	3.0
229.15887	11.1
231.19452	9.0
237.02742	2.9
247.16937	17.2
249.11249	3.7
249.20551	9.0
253.18010	4.3
265.18002	14.2
267.12744	2.9
271.05893	2.0
283.19037	4.6
285.22208	2.4
287.15302	3.5
291.17148	2.4
301.20154	2.1
303.23151	4.4
321.24200	4.1
325.03809	5.6
339.25470	2.5
353.15771	2.1
357.26355	4.6
410.70639	2.4
411.19952	100.0
412.20358	3.5
431.19623	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	411.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.4
55.01865	0.5
57.03426	0.4
67.05499	1.0
68.99799	0.4
69.03427	1.4
69.98949	0.4
70.06589	0.6
70.30700	1.5
71.04992	2.0
72.34858	0.3
73.02924	0.5
79.05453	0.4
81.03416	1.2
84.08120	0.6
85.02906	3.2
85.06534	0.5
87.00842	1.0
91.05457	0.8
97.02882	1.6
97.09426	0.4
98.20737	0.4
99.04430	0.5
103.05474	1.4
105.01874	0.8
107.04961	1.2
109.02907	1.1
109.10173	0.6
115.05450	0.8
117.07031	4.5
121.02831	0.4
121.06503	0.9
123.04391	0.5
127.03915	2.2
127.05447	0.9
127.11169	1.0
131.04929	0.6
137.05992	0.6
144.19270	0.4
145.06490	20.5
146.62544	0.4
147.04407	1.6
155.06049	2.9
159.02818	0.7
162.05507	3.6
163.07544	100.0
164.07860	0.9
169.26668	0.3
175.07597	0.5
176.20520	0.4
177.05498	0.5
206.18561	0.4
211.07578	0.5
212.58263	0.4
229.08565	0.7
240.09503	0.4
411.12137	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	410.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.2
55.05513	97.2
67.05505	15.2
68.51529	3.0
69.03440	5.0
69.07059	8.6
71.53540	4.0
79.05491	21.5
81.07061	22.3
83.04982	3.3
83.08621	92.3
91.05493	9.4
93.07045	9.7
95.08598	10.5
97.06526	3.1
97.10176	48.0
105.07037	16.9
107.08588	53.7
109.10191	6.0
117.07056	4.3
119.08574	5.9
121.07849	3.5
121.10164	6.0
125.09634	48.8
133.10130	9.2
135.11687	4.4
145.10152	5.4
147.11748	4.3
149.09631	5.0
153.09114	3.8
159.11676	4.9
171.10175	10.0
189.11214	100.0
189.16426	6.5
234.25964	2.9
253.17989	30.8
257.19064	12.1
274.55072	3.5
275.20074	70.6
276.20474	3.3
280.64563	3.0
293.21191	10.1
357.27951	9.8
375.28891	7.7
410.26825	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	410.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.2
55.05515	100.0
64.62466	2.6
67.05504	24.7
69.03422	3.2
69.07065	17.1
69.27094	26.2
71.04984	3.2
77.87492	2.5
79.05501	19.1
81.03407	3.4
81.07063	28.3
83.05000	3.9
83.08626	62.7
83.90195	3.0
91.05474	17.4
93.07040	21.2
95.04964	4.3
95.08634	15.9
97.06553	8.8
97.10169	2.8
98.92422	2.5
105.07052	13.0
107.08591	10.4
109.06533	4.9
109.10159	5.1
117.07026	4.8
119.08609	17.7
121.10167	12.2
123.11684	3.6
131.08566	9.7
133.10126	9.8
135.11667	16.0
137.09610	4.9
143.08536	3.6
145.10115	6.6
147.11702	11.2
149.09645	6.3
149.13293	5.4
159.11656	6.0
161.13237	3.2
163.11263	3.8
173.13264	4.9
174.46031	3.0
181.12195	16.5
195.13853	9.5
199.13272	5.7
235.16820	3.9
239.17935	4.1
247.20689	3.6
257.18851	3.5
275.20105	36.7
285.57443	2.8
293.21201	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	410.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.4
53.04169	1.7
55.01865	5.2
55.05503	3.5
57.03422	4.7
57.07048	2.5
61.02910	5.1
67.05506	2.8
68.99792	1.7
69.03085	3.0
69.03435	39.1
69.38820	12.3
71.04989	3.6
73.02914	5.7
79.05494	2.0
81.03426	23.7
81.07090	2.2
83.04967	1.5
85.02911	100.0
87.00835	44.1
88.50181	1.4
97.02898	31.1
99.04474	11.1
100.11251	4.8
105.01875	75.5
108.04489	2.0
109.02888	30.2
109.10145	2.2
115.03946	1.6
127.03928	71.9
145.04973	36.0
145.06058	1.5
147.02811	2.1
149.02353	37.1
149.03461	1.8
153.93440	1.7
159.02899	10.0
182.15482	4.1
188.52902	1.9
189.03963	3.8
193.04977	63.5
213.03934	3.3
231.05017	21.7
249.06079	7.8
258.54013	1.9
410.24979	11.9
410.33923	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	410.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.3
69.03418	0.8
70.91644	0.3
71.04945	0.2
73.02913	0.2
79.05513	0.2
81.03402	1.0
85.02904	1.1
87.00831	0.6
89.03921	0.3
90.76621	0.2
92.78413	0.2
97.02867	0.4
99.04493	0.4
105.01870	0.3
106.06542	0.7
107.04932	0.2
107.08538	0.4
109.02844	0.5
111.78532	0.2
116.04986	1.4
127.03915	0.8
132.30417	0.2
134.06026	0.2
139.71588	0.2
145.05154	0.8
162.05508	100.0
163.05856	0.8
268.91534	0.2
324.10831	0.5
410.10843	4.2
410.15878	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.383
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
52.61900	0.8
53.03945	1.1
53.11322	0.8
55.05517	7.1
57.07081	10.8
67.05511	18.3
67.87075	0.8
69.07075	14.2
69.82350	4.5
71.08628	3.3
73.06593	1.1
79.05488	7.5
81.07062	67.1
82.07393	0.9
83.08629	6.4
85.10185	1.3
89.06003	1.3
91.05476	4.4
93.07059	13.7
95.08614	100.0
97.10162	4.3
105.07040	10.5
107.08602	19.5
109.10162	32.9
111.11712	3.3
117.06965	1.5
119.08579	8.9
121.10158	18.8
123.11721	20.3
125.13233	1.3
131.08624	2.3
133.10138	10.0
135.11700	17.7
137.13266	62.9
145.10107	3.1
147.11705	7.8
149.13275	12.2
151.07576	2.7
151.14859	4.0
159.11696	3.3
161.13269	6.0
163.14799	8.1
165.09163	1.5
173.13304	3.0
175.14842	4.9
177.16399	4.5
178.13690	1.0
179.18034	2.1
187.14848	3.8
189.16399	6.4
191.17987	6.2
193.19539	2.1
195.12149	1.4
201.16464	3.6
203.17990	5.9
205.19592	3.4
215.17940	5.1
217.19513	4.8
229.19530	7.3
231.21126	3.2
243.21271	1.8
245.22716	1.2
257.22614	6.8
259.24210	9.0
271.24301	7.5
285.25809	4.0
409.38373	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	409.3829
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
50.42231	1.7
55.05509	11.6
56.04619	1.7
57.07062	8.5
67.05231	2.1
67.05513	23.7
69.07068	39.4
71.08608	2.9
71.17290	3.6
71.26627	1.9
79.05492	7.8
81.07059	83.2
82.19314	1.9
83.08625	13.3
91.05488	5.3
93.07061	17.9
95.08611	93.6
97.10173	7.8
105.07021	14.4
107.08592	28.4
109.10158	56.6
111.11712	8.3
119.08582	21.8
121.10140	34.2
123.11721	30.3
125.13311	2.5
131.08592	6.1
133.10130	16.9
135.11696	23.4
137.13260	28.2
145.10133	6.4
147.11702	17.4
149.13260	22.1
151.14841	4.5
157.10185	2.7
159.11719	11.2
159.12976	3.1
161.13260	17.9
163.14854	9.9
171.11720	2.3
173.13258	10.7
175.14833	10.1
177.16412	16.8
187.14861	6.8
189.16397	8.4
191.17984	8.5
201.16397	6.3
203.17978	7.6
205.19492	3.4
213.16414	2.4
215.17969	6.8
217.19536	6.5
219.21048	2.6
229.19492	9.0
231.21037	19.4
243.21155	5.6
245.22699	5.5
257.22687	6.8
259.24213	14.5
271.24139	13.2
285.25879	9.5
299.27472	4.0
313.28876	2.4
325.29077	2.6
327.30408	3.9
353.32092	2.5
367.33740	2.5
409.38315	100.0
411.73087	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	409.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.6
55.05262	1.8
55.05513	17.0
57.07079	8.5
65.23839	1.5
67.05506	22.1
69.07071	42.6
70.11868	2.4
70.12287	4.7
71.08639	2.6
79.05489	10.3
81.07059	68.1
83.08622	18.5
89.06032	1.5
91.05470	7.5
93.07050	20.5
95.08611	68.3
97.10172	5.7
98.21433	1.7
100.33031	1.3
105.00807	1.5
105.07030	18.3
107.08595	33.9
109.10160	48.9
111.11731	7.5
119.08587	23.4
121.10150	35.7
123.11715	31.0
125.13242	2.6
131.08572	7.7
131.09396	1.4
131.27219	1.5
133.10146	19.6
135.11707	22.4
137.13249	20.2
145.10115	14.4
147.11702	18.6
149.13257	22.2
151.14844	5.5
157.10139	3.0
159.11703	14.4
161.13258	13.8
163.14844	13.7
171.11757	2.7
173.13254	11.7
175.14833	12.7
177.16409	9.7
185.13213	2.5
187.14838	10.2
189.16414	8.0
191.18004	8.9
199.14923	3.5
201.16418	10.4
203.17924	7.7
205.19543	2.7
213.16438	3.0
215.17960	6.2
217.19510	8.9
219.21129	2.8
227.18089	2.4
229.19571	7.1
231.21022	8.7
241.19714	2.1
243.21072	5.1
245.22623	4.0
255.21193	1.9
257.22705	8.8
259.24219	9.9
271.24231	7.9
273.25839	1.9
285.25800	6.6
287.26987	1.6
297.25870	3.4
299.27316	4.6
311.27313	1.7
313.28864	2.1
325.28864	4.4
327.30511	6.9
339.30579	1.7
353.32132	2.6
409.38333	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29093	2.5
50.54368	3.0
53.03943	5.6
55.05516	20.2
57.07069	8.8
59.04974	3.4
65.03951	5.0
67.05511	31.1
69.03438	10.2
69.07066	11.5
69.86783	10.4
69.87191	6.4
79.05505	26.2
81.07059	40.6
83.04981	2.8
85.06545	5.3
91.05492	40.0
93.07050	53.2
95.04972	46.0
95.08613	38.4
97.06523	14.6
97.29169	3.1
103.05464	2.9
105.07039	100.0
107.04936	5.7
107.08617	27.5
109.06546	14.3
109.10157	26.6
111.08093	4.1
113.24857	2.7
115.05460	4.6
117.07026	13.8
119.08598	62.2
121.06501	18.8
121.10172	16.9
123.08079	20.4
128.06238	8.1
129.07001	10.9
129.08110	2.8
130.07761	4.7
131.08578	22.6
133.06552	6.8
133.10152	24.5
135.08069	14.8
135.11703	7.3
137.09546	7.8
142.07799	17.0
143.08594	21.3
144.09354	3.4
145.06404	3.4
145.10141	46.0
147.08066	19.6
147.11700	38.1
149.09641	9.5
151.07547	27.0
153.09067	3.3
155.08542	9.3
156.09360	8.1
157.10143	27.3
159.08102	8.1
159.11707	18.5
160.08847	3.6
161.09627	13.5
161.13277	4.9
161.68967	3.0
163.11127	6.6
165.09131	41.5
167.08586	5.4
169.10092	19.3
170.11049	3.7
171.11710	13.8
173.09766	4.9
173.13237	8.9
175.11183	25.3
177.09142	5.6
181.10127	8.5
181.12279	7.1
183.11690	16.3
185.13228	7.1
189.12732	11.4
191.14207	4.4
195.11739	5.0
197.13344	6.4
199.11241	4.9
199.14832	5.2
201.12749	7.5
203.14337	19.3
207.11830	4.7
207.13820	9.1
209.13274	9.2
209.15291	5.1
211.14856	8.9
221.15381	82.9
225.16457	4.1
229.15923	6.3
231.13701	3.8
233.15456	4.9
234.16237	13.8
247.16924	3.7
253.15929	5.2
286.19363	8.6
287.20050	13.1
300.20932	7.9
329.21255	7.6
391.26236	11.0
409.27405	87.0
409.33624	4.9
409.34702	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2738
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
50.21480	1.5
53.03937	5.4
55.01878	2.8
55.05518	18.8
57.03432	1.8
57.07066	5.3
59.04983	3.1
65.03936	2.0
67.05183	1.7
67.05512	25.2
69.03421	6.4
69.07076	8.3
69.22199	14.2
71.01361	1.8
71.04988	3.2
72.69707	1.5
74.15727	1.7
78.65741	1.4
79.05494	21.7
81.03407	2.1
81.07068	30.4
83.04969	6.1
83.08619	2.1
85.06511	2.9
91.04971	2.4
91.05492	32.3
93.07048	46.7
95.04980	45.2
95.08614	26.6
97.06541	8.6
103.05453	4.2
105.07040	100.0
107.04979	2.6
107.08601	23.9
109.06512	13.0
109.10165	12.8
111.08092	3.8
113.06035	1.5
115.05451	2.9
117.07026	15.7
119.04959	1.9
119.08591	69.5
120.09406	1.7
121.06536	15.4
121.10152	16.0
123.08069	17.6
128.06186	2.9
129.07004	10.2
130.07803	4.5
131.08586	25.4
133.06476	4.8
133.10133	18.3
135.08043	12.6
135.11668	4.9
137.09618	7.8
141.06981	4.3
142.07779	12.1
143.08592	14.3
144.09315	3.6
145.06503	1.8
145.10127	39.5
147.08063	16.7
147.11705	43.7
149.09637	10.3
151.07571	16.0
153.09093	2.3
155.08534	6.8
156.09346	3.0
157.10143	21.3
158.10931	1.9
159.08075	5.5
159.11707	14.4
161.09598	7.0
161.13214	3.9
163.11177	4.1
165.09117	30.4
167.08493	3.1
168.09361	2.5
169.10135	9.3
170.10976	1.8
171.11604	7.9
173.09634	6.1
173.13297	7.9
175.11197	34.2
175.14720	2.2
177.09108	6.2
178.09851	2.2
179.08530	2.9
181.10129	3.5
181.12209	3.8
182.10922	2.0
183.11668	10.4
185.09590	2.4
185.13197	4.6
187.11241	3.5
187.14807	3.9
189.12755	5.4
191.14284	3.0
193.10088	2.7
195.11690	4.7
196.12538	2.9
197.13271	5.7
199.11185	4.0
199.14738	2.9
201.12737	9.7
203.14307	13.1
207.11812	3.0
207.13812	5.8
209.13261	3.6
209.15231	3.4
211.14795	5.6
213.12808	3.1
215.14270	2.4
219.13718	2.8
221.13789	2.8
221.15373	72.8
223.14777	3.0
227.14279	1.8
229.15854	3.3
231.13744	2.4
233.15427	4.3
234.16173	16.9
235.14752	2.3
286.19360	2.1
287.20044	6.6
300.20761	4.6
329.20972	5.0
391.26450	7.6
392.31448	2.8
409.27347	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	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66000	1.9
53.03939	5.0
54.38514	1.7
55.01874	2.6
55.05514	17.8
57.07072	6.2
59.04984	3.6
65.03931	3.4
67.05515	23.7
69.03415	7.5
69.07076	8.7
69.37287	6.2
69.37714	8.7
79.05498	21.2
81.03402	4.4
81.07059	33.5
83.04994	2.9
83.08589	3.0
85.06541	3.3
85.74749	2.0
91.05480	38.7
93.07043	44.9
95.04967	43.2
95.08608	29.5
97.06524	8.8
103.05486	2.8
105.07033	100.0
107.08587	23.7
109.06491	12.1
109.10145	12.9
110.46886	1.8
111.08087	2.9
111.82291	2.1
112.96220	1.8
115.05468	4.1
117.07019	15.1
119.08583	65.6
121.06495	19.0
121.10149	18.2
123.08054	10.0
123.11720	2.5
128.06288	3.6
129.07018	8.8
130.07764	4.6
131.08545	22.1
133.06482	4.8
133.10136	18.5
135.08080	15.1
135.11673	5.6
137.09586	7.0
141.06898	2.8
142.07791	13.2
143.08557	13.1
144.09296	3.9
145.06476	2.8
145.10120	35.9
147.08075	15.2
147.11681	40.1
149.09653	11.2
149.94873	2.1
151.07555	15.0
153.06961	2.5
153.09079	3.3
155.08551	7.9
156.09319	5.7
157.10139	20.2
159.08017	4.9
159.11707	14.9
160.08786	2.5
161.09624	6.6
161.13257	5.0
163.11249	3.4
165.09125	27.4
167.08580	2.6
168.09338	3.0
169.10120	10.7
170.10933	2.6
171.11606	10.8
173.09621	5.5
173.11807	2.2
173.13216	5.2
175.11188	31.8
175.14775	2.4
177.09071	4.5
179.08539	2.3
181.10034	3.5
183.11705	14.3
185.09586	2.5
185.13245	4.2
187.11128	4.6
187.14902	3.2
189.12700	4.9
191.14316	2.2
193.10150	2.6
195.11606	2.7
196.12447	2.8
197.11674	2.1
197.13315	2.7
199.11143	3.0
199.14799	2.1
201.12682	10.1
203.14336	13.4
206.10870	2.6
207.11769	2.6
207.13841	6.8
209.13309	3.3
209.15221	3.1
211.11113	2.7
211.14854	4.9
213.12857	2.8
219.13744	4.5
221.13412	3.6
221.15352	67.4
223.14622	2.4
225.16318	2.7
227.14285	2.4
229.15831	7.5
231.13763	3.7
233.15298	3.9
234.16151	19.5
286.19479	2.5
287.19952	7.4
295.20117	2.0
300.20847	6.6
307.25708	2.0
325.45587	1.8
329.21060	8.6
391.26273	7.7
409.27307	52.2
409.33679	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	409.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.7
57.03447	0.4
62.47660	0.4
67.05505	4.0
69.07065	0.5
71.04980	0.4
71.53403	0.5
79.05492	1.4
81.03409	0.5
81.07047	1.4
83.04993	0.5
83.08617	0.6
89.17268	0.3
89.66027	0.3
90.45836	0.4
91.03886	0.3
91.05466	1.1
93.07053	1.8
95.08608	0.7
97.02885	0.4
97.10148	0.4
100.11256	0.5
105.07021	1.0
107.08611	0.7
109.10190	2.2
119.08562	0.5
122.33594	0.3
133.10110	0.5
135.11697	1.2
154.24986	0.3
162.18681	0.4
173.11731	1.2
184.07428	0.3
258.00208	0.4
295.15152	0.9
409.25638	100.0
410.25784	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	409.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.4
55.01874	5.1
55.05515	19.7
57.07072	8.4
59.04993	4.6
64.93272	2.7
65.03940	4.7
67.05512	27.3
68.10418	2.7
69.03427	8.9
69.07063	8.4
70.73169	2.5
79.05499	26.9
81.07065	40.4
83.04987	7.5
83.78731	2.5
86.79337	2.6
91.05492	39.0
91.80543	3.2
93.07055	52.2
95.04977	57.8
95.08613	29.2
97.06540	10.2
98.20707	5.6
100.28497	3.0
103.05495	4.4
105.07043	100.0
107.08604	25.4
109.06504	13.2
109.10169	13.7
113.15527	3.1
115.05460	4.6
117.07028	16.9
119.08594	64.0
121.06521	19.2
121.10155	21.0
123.08105	17.3
128.06210	4.6
129.06998	12.1
131.08591	28.9
132.09349	4.8
133.06471	3.9
133.10109	23.8
135.08028	11.5
137.09616	8.4
141.07002	4.8
142.07806	14.1
143.08574	20.4
144.09354	8.0
145.10153	42.0
147.08015	13.4
147.11708	33.5
149.09630	8.1
151.07568	14.3
155.08588	7.0
156.09335	7.8
157.10126	26.2
158.23212	2.7
159.08064	9.5
159.11729	21.2
161.09665	7.5
161.13251	3.7
163.07536	3.3
163.11209	6.7
165.09111	26.1
167.08611	4.0
168.09274	3.9
169.10139	12.2
170.10938	3.2
171.11728	13.4
173.09615	5.8
173.11853	3.4
173.13289	7.4
175.11235	29.6
181.10143	4.3
183.11684	14.8
185.13298	6.3
187.11192	6.4
187.14842	3.4
189.12721	5.1
193.10147	3.2
195.11780	6.2
197.13312	4.9
199.11246	4.3
201.12770	6.8
203.14420	13.8
207.11893	3.8
207.13837	8.7
209.13225	6.6
211.14780	7.0
221.13315	3.2
221.15369	69.4
223.14728	4.2
225.12392	3.1
227.14323	3.4
229.15874	5.5
229.72301	2.9
234.16086	13.7
253.15804	4.9
272.91681	2.9
286.19229	4.3
287.20013	7.6
300.20773	6.0
329.21213	6.1
353.21295	3.3
391.26431	6.5
407.10944	3.7
408.11929	5.0
409.13107	44.8
409.27325	50.4
410.13422	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	409.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30156	0.5
55.05519	1.3
57.03444	0.6
61.02953	0.5
62.39149	0.5
65.42328	0.6
66.44926	0.5
67.05514	4.7
69.07043	0.5
71.53134	0.7
71.53493	0.6
71.53855	0.5
73.64606	0.5
79.05489	1.9
81.03367	0.7
81.07046	2.2
91.05480	1.3
91.16179	0.6
93.07046	1.7
95.08579	1.0
98.76759	0.6
105.07001	0.7
107.08600	1.0
109.10186	3.0
109.65353	0.6
133.10103	0.6
135.11694	1.5
173.11768	1.2
186.97057	0.5
295.15186	0.7
409.25638	100.0
410.26041	2.1
432.32495	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	6.4
67.05488	7.7
69.03436	2.6
69.07074	4.3
69.67699	14.7
71.04959	2.6
81.07048	4.6
83.04980	3.0
83.08620	5.6
83.88195	2.3
84.11287	2.4
85.02882	7.5
93.07024	7.5
95.04972	43.9
95.08613	14.1
98.20657	2.7
99.04465	4.7
99.08100	45.1
106.59277	2.4
107.08585	8.6
109.10150	20.6
119.08605	5.5
121.10139	3.1
123.11626	2.9
128.88184	2.6
133.10120	5.5
135.11678	12.5
137.09636	25.0
151.14745	2.7
153.12695	4.9
155.10718	18.8
162.05516	18.3
175.14806	7.6
182.19687	2.7
193.15849	20.7
211.16939	100.0
229.18042	13.5
409.15918	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	409.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21344	0.7
55.01860	0.7
56.05029	1.2
56.96560	2.3
57.03461	1.0
60.08160	0.9
69.03432	2.3
70.06586	2.5
70.30692	2.2
73.02914	1.1
81.03429	1.7
82.02945	0.7
84.08174	0.7
85.02914	9.1
86.36930	0.8
91.05499	2.0
93.73476	0.7
96.46637	0.8
97.02887	2.1
97.15919	0.9
98.97594	1.0
105.07021	2.7
114.05543	7.3
117.03388	1.8
118.06553	12.6
119.01922	1.2
119.04936	1.6
120.08137	1.1
123.04414	0.8
127.03932	2.0
130.06548	0.9
140.07069	0.9
142.04980	1.3
142.06564	0.9
143.07277	1.4
144.08083	12.0
145.02844	3.0
145.04991	0.9
146.06017	60.2
147.04419	3.9
149.04616	2.7
155.03380	0.9
161.02939	0.9
162.05649	0.7
166.07260	31.2
168.07306	1.0
169.04950	4.2
170.06075	3.5
174.07628	1.8
177.05496	4.2
188.07080	100.0
189.07397	1.2
199.03650	2.6
233.02675	4.5
239.02397	1.2
244.08168	3.2
257.99695	0.8
295.04852	0.8
341.49805	0.7
349.07593	1.1
350.12357	50.1
370.36295	0.8
409.08044	2.3
409.15082	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	409.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
57.07064	0.3
63.10454	0.3
64.54499	0.2
67.05474	0.3
69.03438	0.5
69.07078	2.2
69.84242	1.4
81.03420	0.4
81.07065	0.5
82.11431	0.4
83.08640	0.6
85.02909	0.8
89.18539	0.3
93.07009	0.3
93.61956	0.2
95.08614	0.3
97.02900	0.2
99.04458	0.3
104.13073	0.3
107.01083	0.6
109.10195	0.3
119.08580	0.3
125.13319	0.4
127.03925	0.6
133.10130	0.3
143.14319	0.6
147.93073	0.3
175.14850	0.5
176.15228	0.4
182.49522	0.3
193.15942	0.4
194.16235	0.5
211.16957	0.6
212.17261	1.0
247.13072	2.3
296.04913	0.3
311.98651	0.3
369.86035	0.3
409.18359	100.0
410.18753	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	409.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84795	0.5
53.73826	0.5
55.01863	1.0
55.05519	1.6
57.03422	0.6
63.73673	0.5
67.05492	2.6
69.03432	2.3
69.07063	2.5
69.81008	1.5
69.81400	1.1
70.06614	1.1
71.04990	1.4
73.02934	0.6
79.05498	1.9
81.03398	1.1
81.07057	6.3
83.04969	1.6
84.49358	0.5
85.02912	3.6
85.06541	3.2
86.09704	0.8
88.80888	0.5
91.05467	2.1
93.07053	4.3
95.04973	2.9
95.08615	3.7
97.02898	1.6
97.06512	1.5
98.97614	1.1
99.04460	0.9
99.08096	1.5
101.05974	0.8
102.09585	0.6
105.07067	3.2
107.08592	4.7
109.02872	0.7
109.06534	2.1
109.10174	6.1
111.08100	1.3
119.08569	5.3
121.10178	4.3
123.08047	1.0
123.11703	2.9
125.09639	1.5
127.03973	0.6
127.07629	0.7
128.33737	0.6
131.08565	1.4
133.10143	4.9
135.08113	0.6
135.11676	3.4
136.07565	0.7
137.09631	2.1
139.11205	1.3
147.08090	0.6
147.11678	1.1
149.09647	1.3
149.13268	1.2
151.11197	0.8
154.05043	0.8
155.10762	0.8
158.99762	0.7
162.05475	1.2
165.16411	1.2
168.01646	0.5
169.12318	0.7
175.14854	8.4
177.05467	0.8
178.04990	0.6
187.05028	0.6
193.12315	0.9
193.15892	5.4
194.12599	0.8
201.06650	0.7
211.16907	6.0
211.67177	0.6
215.08240	0.6
228.13176	1.0
229.05806	0.9
229.17961	4.8
233.06451	0.9
239.08131	1.2
243.07736	2.2
247.07130	0.7
247.18976	3.6
257.09064	0.9
267.07727	0.8
271.07169	0.8
280.69565	0.6
285.08716	4.1
289.08261	1.8
297.08572	0.9
303.09769	1.8
313.08215	4.7
315.09818	1.2
319.22928	0.7
321.46405	0.7
331.09250	6.5
333.10818	1.4
349.10367	5.2
359.08871	1.4
365.11792	0.7
377.09848	1.9
391.11276	2.7
409.12061	6.4
409.18332	100.0
410.18777	1.5
420.69431	0.6
427.12845	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	409.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95370	0.2
67.05496	0.3
68.05478	0.3
68.22845	0.3
69.03443	0.3
69.07063	0.4
70.06566	0.3
71.41293	0.4
71.41630	0.3
79.05493	0.4
81.03407	0.3
81.07035	0.7
85.02923	0.3
91.05454	0.4
93.07030	0.5
95.04939	0.5
97.06572	0.3
98.97575	0.7
99.01398	0.2
103.04020	0.3
105.07017	0.3
107.08573	0.4
108.08114	0.3
109.10130	0.5
121.02838	0.8
123.04443	0.3
125.09640	0.3
133.10130	0.3
147.07913	0.4
147.11708	0.3
154.04976	1.1
178.05023	0.7
203.05196	0.4
206.04594	0.7
229.11974	0.6
238.07088	0.5
240.94498	0.3
247.13058	2.1
285.08997	0.4
295.06110	0.7
296.06409	0.3
297.09000	0.3
307.05759	0.3
309.27020	0.3
321.07333	0.4
325.07156	1.3
331.09317	0.7
335.09155	0.7
363.08655	1.0
391.07843	1.7
409.09335	3.6
409.18329	100.0
410.18872	1.1
422.49612	0.3
431.19333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89925	1.5
53.03936	1.9
55.01873	3.4
55.31923	1.4
56.96572	18.8
57.03438	3.6
57.52807	1.5
58.99861	2.3
61.02926	4.5
69.03430	15.2
70.06584	3.9
70.98116	4.8
71.02122	3.2
71.04984	1.9
72.08151	1.6
73.02920	5.7
78.77402	1.4
81.03413	4.2
82.99863	4.2
84.04506	1.9
84.08154	3.3
84.96032	4.8
85.02901	20.8
86.09710	2.5
88.99178	1.7
91.05486	3.0
95.61282	1.9
97.02895	16.7
98.97597	30.6
99.04443	2.4
101.00883	28.7
101.34552	2.0
103.00610	2.5
103.02445	2.2
105.00462	1.6
107.04917	1.9
109.02887	4.6
110.97579	8.5
112.07609	2.9
112.99165	4.6
113.00879	10.4
115.02431	9.5
116.07070	5.1
116.98615	9.3
118.06581	2.0
118.26649	1.6
119.01932	43.0
119.04962	6.2
120.02010	1.8
121.01637	2.9
123.04476	2.7
127.02437	7.2
127.03922	6.6
128.98605	11.9
129.04071	1.6
129.10208	1.8
131.00188	5.7
131.01917	27.8
133.03476	15.0
134.99696	2.1
136.06190	3.4
137.03003	6.0
138.05470	1.9
139.02400	5.3
139.03934	3.8
141.03923	1.8
142.01097	3.0
143.00150	6.3
143.00740	1.7
143.01895	35.4
144.08148	1.6
144.98087	1.7
145.01677	5.6
145.03493	26.8
145.04964	3.3
146.06009	3.7
146.99654	6.9
147.01431	4.8
147.04369	21.4
149.01187	1.8
149.02936	3.7
152.03249	1.9
155.01898	34.9
156.02811	3.7
157.03468	30.7
158.99677	8.6
159.01382	3.2
159.03214	2.1
159.05042	5.0
160.02184	2.3
161.01352	4.6
161.02965	44.1
162.99181	2.0
163.02766	5.8
163.04550	4.4
165.00664	2.1
167.01877	8.8
168.99846	3.4
169.03474	11.3
170.99696	4.6
171.01424	7.1
171.03404	2.0
171.05035	5.3
173.01385	3.9
173.02965	36.5
173.06578	3.1
175.01006	1.9
175.02820	2.3
175.04494	12.6
177.00728	6.4
177.02338	2.6
177.05531	3.9
179.01915	7.4
181.03554	2.2
183.05084	4.0
185.01315	3.0
185.02937	24.5
185.06628	5.2
187.00945	3.1
187.03044	2.5
187.04559	13.3
187.06155	2.5
187.08167	2.0
188.07332	5.8
189.00865	3.0
189.02467	9.3
189.04027	2.1
189.06190	3.2
189.07855	6.2
191.02177	5.0
191.03972	3.7
193.00200	3.1
197.02988	17.2
197.06596	2.1
199.00909	6.0
199.04518	5.5
199.06207	1.8
201.00691	5.4
201.02473	2.9
203.02313	2.8
203.04045	18.7
205.00218	3.6
205.02002	1.9
205.03786	5.0
207.01717	2.0
207.03543	4.0
207.08937	4.1
209.02914	10.3
211.04547	3.5
213.02473	3.5
215.00500	1.7
215.04036	7.0
215.07539	2.5
217.01933	6.5
217.03749	2.0
217.05544	3.7
219.01746	19.9
219.03571	3.9
221.05069	30.2
222.03021	2.4
223.00998	1.8
223.04755	4.5
223.06763	1.9
227.03993	2.3
229.05612	10.3
231.03453	10.8
232.07883	1.6
233.03310	2.4
233.06364	1.5
235.06700	4.8
237.02809	22.4
239.02103	2.2
239.04161	3.4
241.01901	2.2
241.05602	2.9
244.04338	2.0
245.05103	100.0
246.05554	2.2
246.08247	5.6
247.04733	3.3
247.08609	12.2
248.05643	1.6
248.63548	1.6
251.04349	4.9
253.07779	4.2
257.01187	2.2
257.05106	49.6
258.05243	2.0
259.03070	4.9
259.06738	12.1
261.08347	3.7
263.06335	9.0
264.06839	2.5
265.05719	3.0
269.05328	11.3
275.02490	3.3
275.06198	3.2
275.09769	2.5
277.04715	1.7
277.07709	9.6
279.04001	3.2
287.02893	1.8
287.06024	6.1
288.09167	3.9
289.03879	12.6
289.09457	9.6
293.05573	4.4
293.10934	4.4
295.08826	4.9
296.09119	2.3
299.06116	10.9
301.04224	3.7
303.00491	1.6
303.09079	2.9
303.11624	3.2
305.07156	2.2
307.05200	9.1
309.10815	2.2
311.06396	2.5
317.03766	3.6
317.07162	8.0
319.05142	3.5
321.12357	3.2
335.06705	3.3
347.08096	2.4
349.10135	44.4
350.12656	2.6
359.08151	3.9
365.13068	2.2
367.11014	39.6
367.16422	3.3
368.11551	1.9
377.09479	1.9
391.03168	2.6
391.11084	2.2
409.11469	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24612	2.2
55.01866	5.6
56.96566	18.9
57.03434	6.5
58.49747	2.1
58.50837	2.6
58.99866	3.7
61.02920	9.3
68.98306	2.8
69.03426	17.6
70.06586	4.1
70.98101	4.1
70.99847	5.0
71.05003	3.6
71.64294	2.2
73.02929	7.1
77.00885	4.6
81.03429	13.2
82.99870	8.9
84.04511	2.7
84.96014	4.5
85.02911	36.6
86.02414	9.0
86.99349	2.7
89.00880	3.4
89.41321	2.4
91.05486	5.7
94.99883	3.5
97.01389	3.1
97.02898	17.5
97.06544	3.3
98.97585	33.7
99.04485	2.9
101.00275	4.6
101.00890	61.4
103.00651	4.3
109.02887	8.7
110.97565	7.5
112.07558	2.7
112.99158	3.2
113.00874	21.1
115.02472	15.3
116.07059	3.0
116.98649	13.1
117.02164	2.6
117.04012	6.7
118.04169	2.8
119.01928	81.9
119.04958	12.7
120.60968	2.2
121.01662	6.4
123.04374	2.6
124.95494	2.7
124.99120	3.2
125.00848	2.3
125.01813	2.7
126.05550	3.5
127.02435	15.2
127.03928	16.1
128.98589	10.0
129.00363	2.6
129.03973	4.9
130.08643	3.3
131.01028	3.8
131.01921	42.1
131.05615	3.3
133.01619	4.3
133.03481	33.0
135.03181	4.2
137.01962	3.4
137.02946	4.8
137.05983	2.8
138.05478	3.3
139.02425	9.4
139.05704	2.0
140.98584	2.7
141.03925	2.9
142.01132	4.6
142.96556	4.0
143.00185	5.0
143.01906	100.0
144.00850	4.4
144.99852	2.7
145.01662	6.0
145.03494	58.7
145.04964	7.8
146.06047	14.0
146.99622	8.6
147.01381	4.9
147.03204	4.9
147.04245	26.5
148.04659	5.4
149.02908	4.3
151.04524	3.4
155.01909	46.5
156.02676	5.2
157.01608	4.3
157.02130	3.2
157.03479	41.8
158.99648	9.6
159.01408	3.9
159.03270	3.0
159.05019	15.5
160.09695	6.9
161.01476	4.3
161.02969	91.5
161.10066	4.8
163.02698	9.7
163.04483	9.2
167.01920	9.1
167.05545	3.1
167.06963	4.2
168.99815	15.2
169.03502	16.8
170.96021	2.8
170.99852	3.5
171.01405	27.4
171.02881	4.4
171.05069	13.1
173.01508	3.9
173.02977	58.6
173.04562	4.5
173.06577	5.7
174.01868	3.0
174.99107	5.9
175.02998	3.4
175.04567	17.9
177.00690	6.3
177.02361	4.0
177.05563	5.9
179.01997	2.9
180.99788	2.7
181.03461	4.3
183.01379	6.5
183.05095	11.1
184.02220	5.4
185.02968	41.2
185.06586	10.7
187.00969	18.3
187.02591	4.2
187.04532	19.3
187.06180	3.2
188.07112	18.7
188.97093	5.4
189.00746	6.3
189.02429	33.4
189.04123	4.2
189.06049	10.6
189.07889	12.7
191.02304	4.0
191.04021	12.1
193.00166	5.0
195.01352	3.8
197.02982	14.4
197.06665	3.1
199.00906	23.0
199.04515	10.8
201.00800	5.1
201.02444	15.7
201.04219	4.4
201.06108	17.7
202.98672	4.1
203.02315	3.8
203.04005	24.3
203.07704	5.3
205.03807	5.9
205.05664	3.6
206.54655	4.3
207.01712	2.7
207.03595	5.0
207.08907	7.2
209.02835	4.7
211.00916	4.6
211.04474	6.9
213.00632	2.9
213.02333	11.5
213.06102	5.4
215.00435	12.4
215.04050	7.3
215.07646	5.0
215.55093	6.9
216.07280	3.7
217.00198	3.8
217.02029	19.4
217.05513	8.6
219.01701	18.7
219.03537	8.1
219.05298	2.7
221.05035	18.7
223.01529	2.7
223.04652	4.1
225.06137	3.1
226.05681	2.7
227.03963	7.2
229.01974	9.8
229.05592	7.4
231.01750	3.8
231.03564	37.3
233.05249	3.8
235.06616	14.4
237.02745	12.8
239.04065	3.6
239.06143	3.8
241.01854	4.0
243.03484	7.7
245.05055	29.4
246.08344	11.4
247.02789	11.4
247.08566	27.1
249.04655	6.4
251.04228	3.9
253.07719	19.4
257.01511	4.0
257.04938	6.8
259.02957	26.4
259.06747	4.8
261.04697	5.4
261.08072	2.8
263.06113	7.9
267.04529	3.5
269.05447	8.8
271.03036	6.6
271.06482	3.5
273.04727	4.3
275.02621	11.2
275.06250	3.6
275.09714	5.4
277.07693	22.3
279.09155	4.1
280.09695	3.4
285.04446	2.5
287.57422	3.4
288.09518	3.8
288.99142	3.4
289.04025	81.8
289.09390	15.8
291.05920	4.4
291.09222	14.9
293.10757	10.3
295.08871	13.1
301.03973	26.7
301.07175	3.3
303.09042	38.8
305.07095	8.3
307.05075	66.7
307.08588	5.5
317.02908	4.7
317.04120	3.2
317.07153	8.0
319.05276	17.0
319.08557	5.4
321.10019	24.7
323.08298	6.5
329.07269	5.9
330.06741	3.2
333.06830	14.4
335.08502	2.4
337.05746	2.8
347.08176	18.6
349.06757	9.1
350.12137	7.7
351.13184	2.9
361.06067	3.0
365.09183	9.0
365.12964	10.3
367.09113	9.6
373.05911	4.0
377.05396	7.0
379.07193	2.9
391.06473	11.0
391.11191	5.9
409.08420	25.2
409.12045	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	408.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21442	0.5
55.01865	0.6
55.05509	1.0
55.52554	0.4
56.05046	0.5
57.03432	0.9
59.04997	0.7
62.06079	1.8
67.05518	2.5
69.03438	0.7
69.07062	3.8
71.04987	3.6
73.16536	0.4
76.31198	0.4
79.05465	1.1
81.03401	0.5
81.07053	2.9
81.91312	0.5
83.04980	0.7
83.08617	1.0
85.02901	1.2
85.06553	7.4
91.05480	0.7
93.07052	5.2
95.04932	0.5
95.08619	5.2
97.02861	1.1
99.08109	4.7
105.01881	0.5
105.07006	1.4
107.08603	8.6
109.10167	15.9
111.08040	1.4
113.06002	1.6
119.08604	4.2
121.10172	2.3
123.11716	2.9
127.03904	1.0
127.11214	2.2
133.10120	3.3
135.11705	24.2
137.09607	1.6
139.11130	0.6
145.05013	0.7
147.11629	1.2
149.13257	6.5
150.76218	0.5
151.11209	0.9
151.14798	1.2
151.75294	0.5
153.11502	0.8
153.12759	14.1
160.07652	0.6
167.14297	2.0
167.83020	0.4
175.14842	9.5
193.15945	2.5
211.16948	100.0
212.17325	0.5
246.20593	2.2
408.22919	0.5
409.18210	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	408.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.7
55.01855	3.1
55.05516	100.0
57.07076	5.8
57.40711	3.0
63.14838	3.0
67.05506	31.6
69.07063	10.1
71.04992	6.8
72.04522	5.6
78.14346	2.7
79.05496	15.5
80.34836	2.9
81.07058	36.9
83.04990	6.0
83.08624	81.5
85.06528	5.2
89.06033	47.7
91.05499	23.6
93.07063	24.6
95.04984	4.8
95.08620	20.0
98.83113	3.1
99.04452	4.4
105.07030	28.2
107.08601	26.6
109.06548	4.4
109.10154	51.1
111.08117	4.4
112.01642	3.0
113.00011	16.6
113.05996	5.0
119.08593	6.0
121.06567	4.2
121.10175	6.3
123.11700	9.0
125.09661	5.1
131.08533	8.8
133.08638	18.2
133.10136	58.2
135.11710	4.8
137.09659	5.3
145.10136	3.7
147.11580	4.0
149.09631	5.1
151.09932	5.2
151.11191	55.5
169.02612	13.7
169.12244	25.3
175.11029	3.2
177.09135	6.4
177.11157	4.9
179.10741	8.5
195.12294	61.3
198.96950	2.8
208.19920	3.0
211.18291	3.2
215.12837	12.5
245.18959	5.0
247.77507	3.4
261.18533	12.2
273.18536	13.2
279.19565	27.3
291.19540	28.2
373.27295	8.2
408.21011	6.5
408.30917	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	408.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
55.01875	1.4
55.05495	1.3
55.12320	0.9
61.02926	1.0
61.93898	0.9
66.56274	1.0
67.05500	2.6
69.03409	1.9
69.07054	4.9
69.87899	4.5
70.06587	2.1
71.04991	4.3
79.05485	2.6
81.03423	0.9
81.07050	3.8
82.20699	1.0
83.05003	1.5
85.02913	7.5
85.06554	1.5
86.09708	3.3
91.05486	9.4
93.07047	6.4
95.04965	3.3
95.08635	1.1
95.84373	0.8
97.02878	1.7
105.06488	0.9
105.07044	9.0
107.08579	4.6
109.06525	6.2
109.10142	2.2
119.08576	3.0
120.08105	2.9
121.10123	1.6
123.11752	1.0
127.03904	1.3
131.08601	4.7
133.10138	51.9
137.05991	4.0
147.11703	10.3
149.09547	1.5
149.13248	1.3
151.07498	1.1
151.11189	32.7
155.07010	10.1
165.12825	1.7
175.11197	8.4
184.26674	0.9
193.12253	32.4
196.68156	0.8
209.93637	0.9
211.13300	100.0
216.24950	1.0
229.14343	27.3
233.16524	1.4
331.09247	1.7
349.10239	1.4
390.24420	1.0
408.16351	1.0
412.76431	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02417	0.7
53.03947	0.8
55.01864	2.7
55.05520	3.5
57.03436	2.1
61.02916	2.8
64.85295	0.8
67.05508	6.7
69.03440	4.4
69.07079	7.0
70.15929	1.5
70.16331	1.7
71.04980	2.3
73.02923	1.4
74.13737	0.8
79.05492	3.4
81.03419	1.3
81.07064	34.3
82.93262	0.8
83.04984	2.9
83.08625	4.6
85.02908	14.6
85.06553	2.3
91.05485	9.5
93.07049	5.0
95.08617	7.0
97.02902	4.9
97.06525	2.2
98.21443	1.1
99.08102	2.5
101.06023	0.7
105.06358	0.6
105.07038	14.4
107.08598	6.0
109.06538	2.7
111.90730	0.7
113.05982	1.0
119.08594	13.1
120.08372	0.7
121.10149	12.6
123.08086	2.2
123.11712	20.5
125.14545	0.8
127.03941	2.0
127.07548	2.5
128.95558	0.7
129.07129	0.9
131.08578	0.9
131.58098	0.9
133.10152	1.9
137.13228	1.7
141.09096	1.4
145.04919	3.8
147.11694	55.5
165.12759	32.0
171.30875	0.7
175.11180	1.7
176.14110	0.8
180.08664	4.8
180.35320	0.8
183.13821	15.0
193.12315	4.4
193.15851	1.2
211.13307	9.7
211.16920	1.9
229.14363	100.0
230.14700	1.3
275.80893	0.8
408.27405	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.0478
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	1.0
57.49249	0.3
69.63403	0.3
69.69365	1.8
76.25555	0.3
85.01435	0.3
93.45498	0.4
98.23404	0.4
98.97593	6.6
101.00870	2.3
116.98626	3.1
119.01926	6.4
128.25900	0.3
134.99733	1.2
137.02960	1.1
155.66165	0.4
158.99850	1.7
177.00955	13.3
178.01031	0.7
182.99928	0.7
190.95386	0.4
201.00880	2.8
217.04080	2.9
219.02016	21.3
220.02271	0.6
225.00813	3.3
240.98659	0.3
242.03445	0.3
243.02019	11.9
256.73987	0.3
256.96469	1.5
258.97299	0.4
258.99734	1.9
260.00027	0.5
261.03073	100.0
262.03159	2.6
263.03140	0.7
274.97540	6.6
275.97842	0.5
277.00909	0.9
278.01215	0.6
282.97107	0.4
283.00006	1.8
284.00134	1.1
284.04636	1.8
284.99911	0.8
292.98569	3.0
298.97885	0.3
301.01050	1.8
302.01263	1.0
303.00876	0.4
343.06522	0.9
367.02008	3.0
385.03177	23.7
386.03226	0.8
403.04248	19.6
404.04544	0.8
408.04733	1.3
426.05988	0.4
432.96841	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13639	0.9
55.05511	1.3
56.48397	1.0
67.05505	1.8
69.03445	1.2
69.07056	1.3
69.62823	4.8
69.63238	2.1
81.07063	3.5
84.08131	0.8
91.05476	2.0
93.07043	1.6
95.04980	1.2
105.06996	1.5
107.08573	1.4
109.10217	0.9
131.08591	0.9
135.97635	0.9
140.65874	0.9
157.61874	0.9
169.04721	2.3
257.08133	1.8
291.15585	1.4
293.17346	1.1
309.16794	2.0
321.16748	100.0
322.16946	1.0
351.65948	1.1
389.22931	2.8
407.15262	1.5
407.24039	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	407.3673
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
51.96604	3.3
55.05523	19.6
57.07074	7.4
59.26148	3.8
67.05496	20.5
69.07073	41.9
69.21121	13.1
69.21539	18.6
79.05486	18.1
81.07054	71.9
83.08627	17.6
85.14717	3.7
89.06030	8.9
91.05489	12.7
93.07040	26.3
95.08617	66.3
96.91227	3.4
96.91881	3.7
97.10182	8.9
105.07029	22.5
107.08600	40.3
109.10155	46.2
113.00034	10.6
119.08605	30.2
121.10142	31.6
123.11706	20.9
129.07047	6.2
131.08589	9.9
133.08604	5.6
133.10114	20.0
135.11697	26.1
136.14273	3.7
137.13232	11.0
141.10231	8.3
143.08553	4.8
145.10144	17.5
147.11699	16.7
149.13249	12.0
157.10168	10.9
159.11700	21.9
161.13280	18.7
163.14825	11.3
169.02628	15.7
171.11702	9.6
173.13239	18.7
175.14865	12.4
177.16344	9.9
185.13318	11.0
187.14851	12.2
189.16440	7.2
199.14787	5.6
201.16415	12.6
203.18034	5.2
213.16382	5.8
215.17975	6.8
227.17891	9.4
229.19528	12.5
255.21193	5.5
257.22681	4.5
269.22476	5.6
283.24286	5.8
285.43134	4.0
297.25922	6.0
325.28677	6.8
337.29056	5.0
407.36740	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	1.5
57.03414	1.0
67.05495	2.6
79.05507	1.9
81.07049	2.2
81.53947	1.0
91.05487	1.2
93.07022	1.8
95.08558	1.1
96.01870	1.5
98.20667	1.5
105.07039	1.6
107.08549	1.2
109.10084	1.2
119.08585	1.8
169.04807	1.1
291.15656	1.9
309.16632	1.5
321.16745	100.0
322.16992	2.8
349.24005	1.1
389.22778	3.1
407.23981	47.7
408.27625	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	407.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.5
56.96571	1.1
57.03424	0.5
57.07071	0.5
58.77133	0.4
61.02916	0.7
67.05495	1.4
69.03421	0.5
69.07047	1.1
70.06597	1.1
79.05464	0.6
81.03435	0.6
81.07059	1.1
83.08604	0.6
85.02907	0.8
91.03930	0.5
91.05453	1.0
93.07024	0.5
95.04937	0.5
95.08646	0.4
97.02930	0.4
105.07027	0.6
107.08583	0.5
121.10135	0.6
127.70137	0.5
133.10114	0.8
185.04907	0.5
229.37448	0.7
257.26611	0.6
267.09070	1.0
269.10507	1.0
285.10101	1.6
295.15192	0.7
301.29312	0.8
309.16794	1.5
324.29178	0.5
325.16156	0.9
342.26575	0.5
407.24060	100.0
408.24432	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	407.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.8
56.96560	1.2
57.03436	0.7
57.07077	1.3
61.02944	1.0
63.73348	0.5
66.31033	0.4
67.05499	1.6
69.03426	0.7
69.07059	0.7
70.06600	3.3
71.06937	0.8
72.08149	1.4
79.05494	0.9
81.03409	1.2
81.07061	2.0
84.08132	0.5
85.02903	1.3
86.09699	0.5
91.05463	0.7
93.07044	1.8
95.04990	0.6
95.08601	1.5
97.02873	0.6
98.20719	1.1
99.04501	0.4
105.06993	0.8
107.08630	0.8
109.10179	0.5
113.55885	0.4
113.56696	0.5
119.08613	1.0
121.10143	1.0
131.08542	0.7
132.10208	0.8
137.99089	0.6
142.75572	0.5
143.08492	0.5
146.11789	1.0
155.84180	0.6
169.04709	0.5
175.11360	0.5
183.25587	0.5
213.24269	0.5
241.07516	0.8
259.08746	1.1
267.09125	1.4
269.10526	0.9
285.10080	2.4
295.15292	0.7
300.29013	2.0
301.29346	7.4
302.31039	0.5
303.11304	0.5
309.16888	0.8
321.77280	0.5
331.16025	0.5
345.31931	3.4
349.16470	1.5
367.17905	0.9
394.73560	0.5
407.24072	100.0
407.35571	23.2
408.23993	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	407.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16678	1.7
53.03936	6.4
55.01850	1.7
55.05505	6.6
60.91990	1.7
69.03440	16.6
69.48170	13.1
70.40534	1.7
71.04987	2.1
79.05482	2.0
81.03418	4.0
81.07061	1.9
83.04984	41.3
85.02916	2.5
85.92822	1.9
87.04448	1.8
91.05496	6.2
93.07049	2.1
95.04987	3.0
97.02887	10.4
99.04472	14.4
103.03940	4.0
105.07050	4.1
107.04945	1.9
107.08617	5.0
109.02896	13.1
109.06618	1.9
111.04424	2.3
112.71506	1.9
119.08584	5.7
121.06517	4.2
123.04465	2.2
127.03918	14.0
128.06215	4.3
129.07004	5.4
131.08556	8.3
135.08061	89.0
137.05942	1.6
141.07028	3.9
142.07758	7.1
143.08575	11.4
145.06494	2.7
145.10098	2.7
147.08026	4.4
149.09618	7.7
153.06993	9.9
155.08548	6.6
156.09351	18.1
157.06461	2.4
157.10159	9.0
158.07277	4.8
159.08107	11.1
159.11696	7.5
161.09601	2.3
165.07013	3.8
166.07800	6.7
168.09412	9.7
169.06480	4.1
169.10100	2.6
171.08060	17.8
171.11705	13.1
172.08861	11.1
173.09657	16.2
173.13287	2.4
175.07547	6.3
181.10118	12.0
183.08060	2.3
183.11771	9.3
184.08870	11.5
185.09648	14.7
186.10388	4.1
187.07626	2.3
187.11119	12.5
189.09138	1.8
197.05981	2.7
197.09657	4.6
199.11203	50.5
201.12775	3.2
203.10689	30.3
209.09575	12.3
211.07568	2.4
212.08336	20.3
215.10690	91.1
217.12248	8.0
227.10686	66.4
227.12981	3.2
233.11734	30.8
245.11754	100.0
263.12823	13.7
371.14966	17.0
410.30844	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	407.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	2.4
54.72512	2.2
55.01875	9.2
55.05505	5.8
56.96572	46.9
57.03444	21.6
58.99867	2.9
61.02932	31.7
65.02597	2.3
69.03442	54.1
70.06596	3.7
70.98125	5.2
70.99877	2.3
71.01355	3.0
71.04994	8.7
71.52971	2.4
71.53362	2.6
73.02937	22.5
81.03432	20.4
82.99854	4.7
83.01341	4.8
83.04992	3.4
84.04520	5.1
84.08142	3.4
84.96062	12.5
85.02914	100.0
85.12883	2.5
86.03239	3.6
87.04474	8.0
88.99174	3.1
89.00917	3.5
91.02472	3.6
91.03941	4.7
91.05499	9.8
97.01438	2.9
97.02897	43.2
97.96783	2.7
98.97595	84.3
99.04475	14.1
101.00887	36.8
101.02356	3.0
103.00645	3.1
103.03969	3.0
107.71229	2.3
109.02879	12.7
110.01346	4.1
110.51434	2.9
110.97575	23.7
112.07600	8.7
112.99146	6.5
113.00876	14.0
113.03477	3.5
113.07156	3.7
115.02439	12.3
115.03930	5.4
116.00402	2.1
116.01324	3.7
116.07136	3.8
116.98624	26.0
117.04034	5.9
118.01064	2.6
119.01927	53.4
119.04974	14.5
121.01703	3.7
124.95508	4.7
124.99140	11.1
126.98797	7.3
127.00735	3.1
127.02425	7.0
127.03938	50.3
128.02357	9.2
128.04259	4.3
128.98595	20.1
129.04077	3.2
130.08650	6.1
131.00203	10.9
131.01903	24.9
132.01877	2.5
133.01669	4.2
133.03477	21.4
134.99672	7.2
135.03242	2.3
137.01898	2.9
137.02908	4.7
138.05460	4.6
139.01524	3.3
139.03954	4.4
140.02399	2.8
140.98615	5.5
141.04071	2.9
143.00241	17.9
143.01910	65.5
144.01965	2.8
144.98103	2.6
144.99831	20.2
145.01685	5.1
145.03600	19.5
145.04968	28.8
146.99644	11.7
147.01451	5.4
147.03239	5.7
147.04375	47.6
148.03818	3.2
148.04840	5.6
149.01242	5.5
149.02965	10.0
151.04524	2.8
154.01787	2.9
155.00218	2.7
155.00711	3.1
155.01913	26.1
155.04675	4.5
156.98174	4.8
157.01704	4.5
157.03557	15.0
158.99690	23.0
159.01407	8.9
159.05077	10.2
160.09711	3.0
161.00107	4.5
161.01295	13.1
161.02980	70.0
163.02788	4.7
163.04659	5.4
163.05948	2.9
164.53790	2.2
165.00729	5.0
167.01828	3.6
167.05595	4.7
167.06976	4.7
168.99873	10.3
169.03572	4.1
170.99699	16.3
171.01398	5.7
171.05026	9.4
171.06424	4.0
172.99429	6.2
173.01305	11.3
173.02991	31.3
173.06671	5.1
174.01744	4.6
174.99153	6.8
175.00975	4.6
175.02766	7.4
175.04602	11.3
175.08275	2.8
176.03458	2.6
177.00740	20.7
177.02446	14.2
177.03975	3.5
177.05658	5.3
180.55263	3.2
180.99892	2.6
182.99672	7.5
183.02356	4.1
184.03032	4.8
185.01363	4.8
185.02954	13.1
185.06572	16.7
186.04585	3.6
186.99156	6.0
187.00929	16.7
187.02739	5.5
187.04547	7.2
187.06148	5.1
188.02348	3.9
188.07758	3.4
188.97060	5.5
189.00740	15.5
189.02502	8.8
189.04144	4.2
189.06071	9.7
190.98706	5.8
191.00475	4.3
191.02298	8.6
191.04025	10.6
192.04599	3.9
193.03818	4.7
196.03951	12.1
196.99399	7.0
197.01175	2.5
199.00882	5.8
199.06497	3.9
199.08214	11.4
200.04277	3.6
201.00761	17.5
201.02515	7.5
201.04250	3.1
201.06116	7.0
202.98735	6.8
203.02296	6.3
203.03989	36.2
203.05739	3.2
203.07712	4.6
204.02913	8.4
204.12329	34.2
204.53209	3.5
205.00223	10.4
205.01971	12.8
205.04489	16.3
205.54671	4.0
206.04584	4.2
207.01787	4.4
207.05359	6.7
209.03201	3.6
211.08167	6.0
212.07640	5.2
212.98851	3.4
213.03387	25.1
213.05554	4.5
213.05954	4.8
213.07767	16.2
213.53638	5.4
214.05182	10.6
214.95416	3.4
215.00432	14.7
215.04593	3.2
217.00204	3.4
217.02002	4.2
217.03799	3.3
217.09183	3.9
218.03505	2.6
219.01804	36.7
219.03613	6.3
220.04166	11.5
221.03113	5.6
221.05054	26.2
221.55878	2.9
222.03958	10.8
223.04753	3.3
225.55798	2.8
227.00420	4.9
227.04059	4.2
227.07770	20.9
228.03593	3.4
229.02026	8.5
229.04782	18.3
229.54861	2.6
230.08757	5.7
230.98128	7.0
231.03676	5.1
231.08954	10.7
232.04948	3.2
233.03398	6.3
235.06638	4.8
236.04581	2.8
236.07262	10.3
237.02809	31.3
241.09334	3.9
243.01784	3.7
245.01450	6.9
245.05107	19.0
245.15025	3.6
246.08331	3.6
247.00894	3.7
247.03189	12.3
248.99245	11.9
249.02899	3.9
250.03253	3.0
251.04488	11.9
251.07474	2.2
254.99803	11.2
255.06619	4.7
257.01428	4.1
257.04776	4.5
259.03125	7.1
259.06659	3.5
260.04279	3.0
261.02835	10.0
261.08261	10.7
262.05927	2.8
263.00842	7.5
263.06104	14.5
265.05905	3.2
267.00290	3.9
267.04034	3.4
269.05396	19.2
270.05170	2.9
273.00858	6.7
273.08142	3.4
275.02719	4.4
275.06171	4.7
275.09677	6.7
277.07428	3.4
279.06168	2.6
279.09402	14.2
283.10318	9.0
286.06870	14.9
286.57162	3.8
287.02435	9.3
287.06415	5.0
288.09457	7.3
289.04156	6.8
289.07602	3.9
291.03760	3.1
291.09177	3.4
293.05167	4.1
293.10886	6.0
294.05969	21.6
294.56308	7.8
295.09286	4.2
296.08389	3.2
301.00323	10.1
301.07074	14.3
301.11325	28.8
303.04132	3.4
303.09500	2.7
305.03793	5.1
307.08682	4.3
309.08527	4.3
310.07425	9.3
311.06555	4.0
311.09875	22.5
311.59909	3.7
315.02029	29.1
317.05542	3.1
319.12473	22.5
331.05154	3.1
333.02975	25.2
335.06573	6.0
341.07343	3.5
347.06638	19.5
347.11740	18.0
349.06058	18.3
350.06631	4.3
365.08340	12.9
365.12546	13.3
366.07968	3.1
375.04025	6.6
407.05106	6.6
407.09503	12.2
407.14578	18.7
407.22784	3.1
425.05826	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	407.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.2
55.01880	6.1
55.05514	5.6
57.03432	10.5
61.02929	6.3
67.05531	7.3
68.99794	7.7
69.03439	40.9
69.07071	3.8
70.06598	6.0
71.01349	10.6
71.04996	10.9
71.52599	3.1
73.02921	10.9
79.05516	5.9
81.03426	40.3
81.07050	6.6
83.04969	11.2
84.08174	3.3
85.02910	100.0
85.06558	3.8
87.00828	29.8
91.05485	6.4
93.07044	8.1
95.01340	8.1
95.04978	10.4
95.08588	7.1
97.02898	34.8
99.04473	16.3
103.03938	6.9
105.01896	8.4
105.07005	5.8
106.11955	2.8
107.04970	35.0
107.08604	3.9
109.02888	34.1
109.06521	3.7
111.04424	8.1
113.02361	8.5
115.03928	5.2
119.04959	2.9
119.08633	3.0
120.56197	3.2
121.06471	4.8
121.10154	3.2
121.31891	3.2
123.04432	8.9
125.02401	9.1
127.03933	84.1
128.04292	3.2
133.10176	3.6
137.05928	5.5
139.03943	6.4
141.01820	17.6
145.04985	6.4
145.10155	3.5
147.02888	3.3
147.06596	5.9
149.05997	4.0
151.03954	4.5
159.02901	6.3
169.04968	12.5
171.02921	9.6
173.13339	3.5
183.02859	3.8
184.07436	3.5
187.06024	8.1
189.03966	20.9
193.04976	7.6
213.03928	4.3
227.30394	3.7
231.05060	10.0
245.11647	5.4
250.72336	3.4
255.05035	3.5
267.05023	5.4
273.06036	11.6
275.09113	5.2
285.06168	4.1
327.07217	11.3
353.05066	4.4
371.06046	5.7
407.14117	3.6
407.25211	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	406.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
55.04997	1.4
67.05505	1.7
69.07060	4.6
69.67739	5.0
69.68168	5.2
71.04978	3.2
79.05499	8.9
81.03411	1.6
81.07059	2.7
83.04991	1.8
85.02913	5.0
91.05475	5.0
93.07053	9.9
97.06541	1.7
98.21529	1.9
105.07028	8.3
107.04961	3.4
107.08603	16.5
117.07035	2.1
119.08595	2.8
121.02884	3.8
121.06511	10.8
121.10177	9.0
122.10538	1.6
123.08095	1.8
125.06032	1.9
129.84380	1.5
130.21875	1.5
131.08569	61.2
133.10143	1.5
133.35802	1.4
135.08063	4.7
139.07567	2.2
145.10132	12.0
147.08046	2.1
149.06001	2.3
149.09633	24.2
153.05484	3.9
163.07552	3.4
163.11180	8.2
166.06192	1.5
167.07025	8.8
167.10706	1.7
173.09586	1.6
191.10678	19.1
202.10741	1.8
209.08469	3.2
209.11742	100.0
227.09195	10.1
389.13675	2.1
399.46420	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	406.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.6
57.03436	3.2
67.05520	3.3
69.03437	4.8
69.07065	6.3
70.06573	2.7
79.05493	2.8
79.56400	2.0
81.03452	2.8
81.07058	13.7
83.04989	3.8
83.08593	2.4
85.02913	11.0
85.06554	5.7
91.05486	7.1
93.07042	14.1
95.04983	4.6
95.08607	10.8
97.06535	11.1
98.21613	3.8
99.08103	3.1
105.07028	12.0
105.71086	2.0
107.04962	2.8
107.08595	22.6
109.06523	16.8
109.10172	8.7
115.07565	3.2
119.08595	5.9
120.08128	2.6
121.06538	11.1
121.10145	23.3
123.08092	10.5
123.11714	2.7
127.03895	2.1
131.08580	5.2
133.10159	28.8
135.08055	10.2
135.11719	3.0
145.10152	3.5
147.11687	14.4
149.09613	6.6
149.13278	9.5
151.11194	9.0
153.09102	9.2
163.11311	2.3
163.14803	18.8
167.07014	4.3
173.13254	22.2
184.01735	2.0
184.93028	2.5
191.14311	44.1
194.83160	2.3
209.15376	100.0
215.10658	3.1
224.85986	2.1
227.16389	40.3
297.08783	3.4
298.33340	2.1
389.13431	3.6
406.31189	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	406.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
56.05033	1.5
57.03426	2.5
57.07060	3.2
58.99598	2.0
63.24511	1.2
65.10270	1.3
67.05489	7.3
69.03433	4.9
69.07059	2.6
70.06601	1.5
70.90800	2.1
70.91120	2.4
71.04991	7.6
76.02223	4.2
79.05505	9.4
80.05034	1.4
81.03391	2.0
81.07064	6.3
83.04967	3.2
84.04514	6.0
85.02909	14.5
85.06544	56.3
91.05479	7.4
93.07047	8.3
95.04976	2.4
97.02875	3.0
97.06500	1.8
98.09682	2.5
99.08098	3.9
105.07050	8.6
107.04946	4.7
107.08595	11.5
111.04452	5.7
112.03989	1.6
113.04131	1.6
116.01678	4.9
117.07005	2.9
119.08581	8.1
121.06520	8.2
121.10150	9.7
125.05949	3.3
129.07045	2.7
130.04999	2.4
131.08565	34.5
133.10150	1.7
135.11716	4.9
137.09637	2.1
144.01115	1.8
145.10129	16.2
147.08041	2.7
149.09636	32.0
153.05516	1.8
156.08450	5.9
156.10269	2.6
157.06880	2.5
162.02193	3.5
163.11166	14.4
165.09125	4.2
167.10660	16.5
173.09669	5.1
174.09492	3.7
175.57735	1.3
179.04904	2.3
191.10657	37.4
209.11745	59.5
216.06946	1.8
223.50706	1.4
227.12785	100.0
259.11111	24.8
313.11969	1.4
362.27582	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	406.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.4
56.05021	1.8
57.03432	1.9
58.99594	4.3
58.99835	0.8
67.05499	1.9
69.03419	1.9
69.07059	2.9
70.43839	0.9
70.96673	1.3
70.97005	1.2
71.05002	5.4
74.00618	1.0
76.02232	7.3
79.05140	0.8
79.05504	10.2
81.03387	0.8
81.07049	7.9
83.04971	2.1
84.04507	6.9
85.02930	4.2
85.06554	8.6
86.00647	1.4
86.99059	2.1
87.02673	1.9
91.05477	4.3
93.07047	8.8
95.04961	1.7
95.08589	1.3
97.02875	2.0
97.06551	1.2
98.09705	4.0
99.08076	2.5
102.05530	1.8
105.07038	6.7
107.04969	3.6
107.08602	12.0
109.06511	1.8
113.04232	2.0
116.01678	6.9
117.07053	1.1
119.08556	3.6
120.85535	0.9
121.06529	9.8
121.10141	7.1
125.05972	1.7
127.03909	1.0
129.06873	0.8
130.05037	1.7
130.06854	1.0
131.08575	56.3
132.08913	0.9
135.08009	1.0
135.11734	1.9
141.05470	1.4
144.01140	2.6
145.05000	1.2
145.10136	15.7
147.08131	1.4
147.67636	0.9
149.09628	27.4
149.18149	1.1
153.05470	3.8
156.08414	5.5
156.10208	3.0
157.06863	2.5
162.02243	6.1
163.11180	10.0
165.09134	3.2
167.07054	1.1
167.10686	3.1
170.51624	0.9
173.09624	1.4
173.56680	0.9
174.09554	4.9
179.04877	2.9
191.10680	24.3
209.11745	100.0
210.12183	1.1
216.06871	1.6
227.12793	14.0
259.11121	31.3
295.95908	0.9
299.78104	1.0
313.12183	1.6
330.00891	1.2
331.13171	2.1
335.05206	0.9
388.15808	1.4
388.23312	0.9
389.13522	1.3
406.16190	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	406.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	9.4
55.01878	12.4
57.03441	8.0
60.04518	2.2
61.02924	7.3
68.99791	4.3
69.03432	35.3
70.06596	2.3
71.04984	6.4
71.09002	2.0
71.09338	2.5
71.90052	1.7
73.02910	11.2
76.02247	2.2
81.03425	34.7
84.04500	5.0
84.08137	2.6
85.02910	100.0
85.05927	1.4
87.00835	43.1
87.04453	1.5
91.03937	5.2
91.05457	1.8
91.40475	1.7
97.02892	44.0
99.04469	17.9
103.03945	5.3
105.01875	36.2
108.04480	8.6
109.02884	44.7
116.01686	1.6
117.01849	4.5
117.03687	3.6
119.04930	1.7
121.02852	7.1
123.04491	2.3
126.05510	7.0
127.03924	80.6
129.01845	4.9
133.02852	5.6
138.48354	1.5
141.05481	5.0
142.06866	2.8
144.06566	2.5
145.02878	3.0
145.04964	47.8
145.62695	1.6
147.02881	7.1
147.04402	4.6
149.05954	2.5
151.03983	1.8
158.02716	3.8
159.02902	27.3
165.05504	14.7
167.07036	5.6
170.05569	2.9
177.04108	2.0
177.05446	10.5
183.06479	3.4
189.03963	13.3
189.80783	1.5
203.06946	2.3
207.06505	12.1
209.08018	1.7
209.15485	1.7
212.05598	1.6
213.03915	3.2
219.42766	1.6
227.09126	3.4
230.06657	1.9
231.04695	14.3
231.06679	5.1
241.76297	1.6
243.08698	1.6
244.09193	1.8
248.07721	8.0
249.07719	13.7
259.11124	19.2
266.08896	1.6
282.67725	1.7
287.50937	1.7
317.11484	2.6
406.14120	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	406.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.0
54.84829	2.6
55.01870	5.5
56.96565	34.7
57.03447	21.8
59.05001	3.1
61.02925	37.2
62.95362	2.7
68.05025	3.3
69.03091	3.5
69.03434	45.7
70.06586	4.6
70.98127	3.8
71.01356	3.1
71.04987	11.6
71.53168	4.1
73.02602	2.3
73.02924	22.8
75.47868	2.5
81.03425	19.6
84.08129	5.0
84.96028	7.5
85.02909	100.0
86.03230	3.1
87.04494	5.4
89.05996	3.3
90.05558	3.9
91.03975	5.3
91.05482	7.0
97.02893	46.4
97.11409	2.9
97.96854	2.6
97.99194	8.3
98.03203	3.4
98.97591	72.1
99.04466	14.0
101.00853	9.2
101.02391	4.1
109.00500	3.1
109.02885	17.3
110.01286	10.3
110.97581	17.1
112.05107	3.9
112.99122	7.9
115.03943	3.5
116.00214	7.1
116.98625	18.2
117.02040	4.1
119.01888	23.1
119.04932	11.5
120.08115	2.7
120.61304	2.7
124.00285	3.0
124.02806	4.4
124.03847	3.0
124.74547	2.9
124.99109	5.6
125.01826	2.7
126.02557	3.4
127.03937	44.1
128.00172	3.9
128.02322	19.5
128.98625	17.4
129.02048	3.4
130.01770	2.8
130.04982	3.5
131.00208	14.2
131.01884	9.0
131.53389	3.0
133.01619	4.5
133.03436	8.9
134.03679	3.3
134.99677	4.7
136.04411	3.2
136.07573	6.2
137.02890	4.2
143.00154	10.9
143.01874	10.0
145.01662	4.7
145.03548	6.7
145.04944	21.0
146.01334	5.8
146.03613	2.7
146.99649	11.1
147.03212	7.4
147.04396	33.9
149.01212	7.4
151.02858	3.0
153.01221	4.3
154.01744	3.3
154.03804	3.3
156.03500	8.2
156.98090	4.6
157.03435	4.9
158.01225	6.3
158.99658	21.6
160.02774	3.5
161.01161	12.4
161.02942	7.5
162.01801	4.4
163.02750	8.5
164.02298	3.0
167.06972	3.4
168.03363	4.7
169.04443	4.4
170.01372	5.0
170.03371	2.7
170.99670	11.2
171.04057	3.9
172.02829	4.2
173.01244	10.8
173.02972	9.1
174.04442	5.2
174.99156	5.7
175.02747	5.5
175.04553	3.9
177.00674	12.5
177.04184	4.3
177.05585	6.8
178.04831	3.9
181.01808	3.3
182.03368	9.2
182.08130	3.5
182.99710	6.0
183.02361	6.1
184.04855	3.9
184.97577	4.9
185.02954	5.4
186.04561	4.1
186.06152	6.9
186.99130	6.4
188.02333	7.9
188.07713	4.9
188.09204	6.0
188.97148	5.5
189.00769	14.5
190.03914	4.1
190.98633	5.9
191.02240	7.6
191.03896	10.7
191.05634	6.2
193.00287	4.7
197.03571	4.4
198.04659	6.8
200.02361	5.3
200.04411	6.3
201.00717	11.8
203.55489	5.4
204.02837	13.0
204.05667	5.5
205.00186	8.4
205.03833	5.6
206.03329	4.9
207.01868	4.0
207.05159	21.3
212.04341	3.3
212.07677	9.1
212.55920	20.8
213.03381	43.3
213.05528	4.4
213.53546	4.6
215.00360	4.2
215.02246	3.3
216.05737	7.6
217.00081	4.0
218.03296	8.1
218.56003	4.1
219.01761	23.6
220.04132	6.3
220.06090	3.4
220.99660	4.1
221.05070	6.0
222.03900	21.1
228.05721	19.3
228.55898	3.2
229.04654	8.9
229.06689	3.7
230.08707	6.2
230.97998	7.1
231.04381	4.6
232.95882	3.9
233.03369	3.5
235.06697	4.5
236.04399	6.1
237.02791	18.9
244.07088	4.1
244.99611	4.1
245.05080	5.6
251.04425	6.6
255.06377	8.6
261.02719	6.9
262.05984	9.1
263.00778	5.9
263.06100	3.8
269.05493	10.1
271.05603	9.2
272.06369	4.0
276.07382	4.6
285.07431	22.3
285.57776	3.4
286.07086	6.5
288.09290	4.2
294.05783	47.1
294.56146	5.6
300.05716	8.0
301.06769	34.5
301.56998	3.6
303.06689	15.4
303.09760	3.8
310.07162	26.6
311.06567	3.6
311.10007	4.4
325.09555	6.0
335.02887	3.7
335.06653	3.7
351.05911	3.9
365.03772	7.9
365.07904	4.2
406.13956	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	405.3728
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
55.05507	2.8
57.07080	10.2
62.62432	1.4
67.05505	2.9
69.07053	7.0
69.22021	15.5
71.08617	4.5
72.65542	1.6
81.07046	2.4
83.01330	6.7
83.08604	5.3
85.10184	2.3
90.31865	1.7
91.05476	1.8
92.96275	1.6
93.07038	6.6
93.18466	1.5
95.08604	6.3
97.06541	3.4
97.10171	4.7
107.08566	3.0
109.10142	2.9
111.08086	3.4
111.11715	1.7
121.10118	3.9
123.08063	2.6
125.06006	3.7
125.09611	3.7
136.21698	1.8
139.07549	17.4
151.11218	3.2
153.09088	5.1
167.10664	6.1
181.12218	7.6
195.13747	7.2
209.15341	5.5
223.16959	2.4
251.19962	1.9
279.23312	1.7
353.08136	1.8
378.77280	1.5
405.37286	100.0
406.37619	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03014	0.5
54.18760	0.4
55.01879	3.1
55.05513	8.1
57.03439	5.8
57.07082	3.2
58.03745	0.5
67.05501	4.6
69.07073	8.0
69.54740	0.5
70.65012	0.5
70.65343	1.1
71.08636	2.4
79.05497	2.6
81.07064	5.5
83.08621	8.3
91.05479	0.7
93.07034	3.1
95.08603	3.6
97.06538	0.9
97.10179	4.7
107.08610	2.6
109.10181	1.7
110.85749	0.5
111.08052	1.0
111.11756	0.9
113.00023	100.0
121.10129	4.0
123.11686	0.6
131.01077	0.8
135.11678	3.1
149.13292	1.1
169.02621	94.3
219.21150	1.2
237.22112	6.9
267.92334	0.6
333.19275	0.5
405.25772	0.6
405.37009	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.9
56.96566	0.8
57.03429	0.9
59.04998	1.0
60.04527	0.6
61.02930	3.3
68.05016	1.8
69.03438	3.4
70.06580	1.3
71.04991	2.8
71.09190	0.6
72.11288	0.4
73.02920	0.6
74.06070	0.4
76.02238	0.7
79.05502	0.6
81.03426	1.5
81.04536	3.2
81.07063	5.3
84.04485	0.8
84.08153	0.6
85.02905	6.1
86.09707	1.2
87.04441	0.5
87.08102	0.9
91.05495	0.6
95.06094	39.1
97.02908	2.4
98.97586	1.2
99.04458	0.9
105.01852	0.5
109.02880	0.9
113.07133	61.9
116.07079	1.7
116.21731	0.5
119.04937	0.7
121.02903	0.5
126.06660	0.7
127.04012	2.4
127.04942	2.6
141.05484	0.7
145.02872	0.8
145.04967	0.9
147.04405	2.0
157.04984	0.5
163.12309	1.4
165.46301	0.5
167.11726	0.7
169.04950	1.4
177.05597	0.4
181.33643	0.4
191.05084	0.4
193.13324	3.0
197.12720	0.5
199.01219	0.4
203.09424	0.4
211.14426	28.6
212.14861	0.6
219.01804	0.8
225.12454	0.5
225.16031	1.0
237.02902	0.8
243.13545	6.4
243.17052	100.0
244.17378	1.7
276.07556	1.5
304.58597	0.4
363.09747	0.6
393.77197	0.4
405.15552	3.7
405.22360	43.2
406.22659	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01866	4.2
55.05509	2.6
57.03436	1.5
67.05502	1.7
69.03428	3.4
69.07044	1.8
69.72048	1.6
69.72454	4.4
71.04996	1.3
77.03941	1.3
79.05487	3.4
81.07062	3.6
83.04977	3.2
85.02912	5.0
91.05471	3.3
93.07034	2.4
95.04961	2.5
95.08646	2.6
97.02897	3.0
97.06554	1.9
99.04391	1.1
103.05463	3.1
105.07043	5.2
106.04193	1.6
107.04978	5.8
107.08526	2.1
107.22897	1.1
109.06538	1.4
109.10165	2.4
115.05392	1.8
115.32584	1.1
117.07021	1.5
119.04956	2.2
119.08563	1.6
121.06502	2.6
121.10133	2.5
123.04436	5.0
123.08064	11.1
124.07589	1.6
124.08403	9.4
127.03937	1.9
131.04922	4.9
133.06471	4.0
135.08058	2.2
135.11713	1.3
137.05969	6.4
139.03850	2.8
139.11134	2.3
145.06464	1.8
147.04428	1.4
151.03914	3.5
151.07526	3.5
160.03925	1.2
161.06009	5.9
163.07553	10.6
167.07051	53.7
171.11708	1.1
173.05974	1.9
179.07060	2.6
181.05022	1.7
181.08580	3.7
184.07497	1.3
189.05423	1.8
190.13089	1.4
193.08641	13.6
197.07108	8.2
198.07724	1.7
199.08684	3.6
203.06931	1.3
205.08640	2.2
205.75810	1.3
207.13853	1.5
208.14069	1.3
210.07780	1.4
211.08728	10.4
219.10176	1.4
225.06638	18.4
225.10213	11.0
225.14830	3.0
226.15189	3.9
227.08163	4.1
227.11682	3.1
228.10289	1.4
235.08603	2.1
239.04457	3.5
239.08154	30.7
240.08904	3.1
243.07777	2.5
243.10233	1.6
245.12871	23.0
253.06100	2.2
253.09750	17.4
255.07678	4.2
255.11258	3.2
257.05875	2.3
257.09235	7.8
259.10840	1.8
267.07632	16.6
271.10709	8.6
273.08701	2.6
280.34860	1.3
281.09183	18.9
283.10712	2.6
285.08627	4.3
289.11768	5.1
293.09213	3.6
297.08652	1.2
299.06879	2.1
299.10248	30.8
309.08710	29.5
311.10172	6.2
317.08105	1.3
317.11267	2.8
327.09750	54.0
329.11353	7.8
337.08170	3.1
345.10828	83.6
355.09100	10.0
355.15585	3.5
373.10312	100.0
374.10626	1.6
387.11819	4.5
405.12756	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	404.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.8
55.01863	5.4
55.05518	25.2
57.03446	17.5
66.66797	2.8
67.05510	59.6
69.07069	19.3
69.99860	9.5
70.00259	5.6
71.04991	3.9
71.08630	14.8
71.62396	2.9
72.83833	3.4
79.05498	45.8
81.07062	60.3
83.04974	12.9
83.08619	15.8
91.05502	24.8
93.07051	53.8
95.04967	10.3
95.08621	20.4
97.06528	11.3
97.10159	13.3
97.83739	3.9
98.20879	3.3
99.07481	2.7
99.08086	18.3
105.07053	18.5
107.08596	26.6
109.10159	10.6
111.08090	6.7
117.06998	7.7
119.08578	12.4
121.10142	12.6
125.09625	6.8
129.07005	3.5
131.08478	6.4
133.10168	16.3
135.08020	3.5
135.11725	8.3
139.11198	5.8
145.10179	7.4
147.11716	4.6
149.13263	23.1
151.11195	14.4
159.11676	17.4
161.13281	16.7
163.11186	7.6
173.11755	10.7
177.12750	15.0
179.14310	10.6
184.74840	3.1
195.13835	11.4
227.12849	16.6
259.20599	10.3
269.17499	100.0
277.21664	26.6
286.20294	4.6
329.55975	3.2
351.25262	43.4
356.56302	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	404.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	16.9
57.03432	16.6
64.66553	4.5
67.05506	56.3
69.07063	17.3
71.04992	6.1
71.08634	18.6
79.05502	30.2
80.96002	3.2
81.03426	6.0
81.07054	62.9
83.04967	10.6
83.08623	12.8
91.05491	24.7
93.07053	40.5
95.04970	10.4
95.08609	21.2
97.06509	6.1
97.10192	6.9
97.56389	4.2
99.08111	23.0
105.07024	14.5
107.08594	21.7
109.06532	4.3
109.10165	7.6
117.07016	9.1
119.08575	9.5
121.10146	8.6
125.09630	5.6
131.08559	9.3
133.10150	14.8
135.11714	11.6
145.10129	4.9
147.11659	7.3
149.13293	19.5
151.11189	19.9
159.11674	18.8
161.13275	11.5
163.11189	10.9
173.11775	8.3
177.12708	16.3
179.14291	9.8
195.13759	9.1
229.19975	5.2
241.19525	5.5
245.14063	4.1
259.20551	9.3
269.17505	100.0
270.17963	4.4
277.21579	20.3
286.28873	3.6
346.47122	4.0
351.25461	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	404.301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	23.9
57.03426	22.1
57.07076	7.2
64.84397	6.7
67.05509	100.0
67.23112	5.5
69.07069	22.6
71.53297	11.7
71.53690	6.1
79.05139	5.5
79.05502	60.7
81.07066	96.8
83.04967	18.2
83.08614	18.7
85.06516	7.0
91.05486	38.0
91.08527	6.2
93.07043	75.6
95.04961	13.8
95.08604	48.2
97.06569	7.3
97.10150	8.3
97.98479	5.6
99.08071	10.9
105.07021	22.4
107.08612	41.0
109.10145	24.2
111.08106	6.0
117.07019	13.1
119.08555	19.0
121.10162	31.9
123.11685	7.6
131.08543	24.2
133.10136	19.8
133.35362	5.9
135.11685	23.7
145.10132	7.4
147.11745	9.9
149.13263	27.4
151.11217	11.2
159.11714	16.0
161.13228	8.5
163.14807	9.6
173.13251	10.3
177.12750	7.9
180.81371	6.0
206.88086	5.9
243.21115	16.5
261.22217	45.0
269.17529	50.0
277.21600	7.8
335.25793	13.9
353.26895	10.7
393.70520	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	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.1
57.03432	6.2
57.07072	2.5
60.20111	2.1
67.05494	5.5
69.03421	8.3
69.07077	32.5
71.53953	3.1
73.02914	3.0
78.00149	2.2
79.05508	11.7
81.03415	3.8
81.07059	22.6
82.91361	2.1
83.08598	2.5
85.02911	20.2
87.04468	2.3
91.05478	10.0
93.07056	19.1
95.08599	8.1
96.08964	2.1
97.02905	6.1
97.06532	4.6
97.70256	2.3
105.07029	29.4
107.04941	5.4
107.08606	19.2
109.02840	2.7
109.06528	3.6
109.10171	5.7
117.06912	2.5
118.71518	2.1
119.04944	2.4
119.08582	21.2
120.99088	2.1
121.06514	2.5
121.10149	41.9
123.04481	2.6
123.11710	2.3
125.05991	12.1
127.03939	5.2
133.06482	2.4
133.10138	11.0
137.05978	18.3
139.07578	3.8
145.10051	2.7
147.07986	2.9
147.11685	4.3
151.07555	18.1
161.13263	100.0
161.14618	4.9
163.14810	4.8
167.07092	5.6
171.11728	2.7
176.14352	5.6
179.14304	10.1
180.08592	2.7
189.12750	20.3
207.13823	88.7
352.18228	2.6
404.25366	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86758	1.0
55.01867	1.4
55.05502	2.3
66.30185	1.2
67.05476	1.3
69.03428	2.8
69.07081	1.1
69.97538	4.9
70.06597	1.6
71.04979	1.4
72.12911	1.0
73.02904	1.1
77.10650	1.0
79.05486	4.1
81.03405	1.2
81.07048	4.7
83.05007	1.5
85.02428	2.1
85.02907	22.0
91.05482	6.9
93.07030	4.7
95.04948	1.6
95.08583	3.1
97.02895	1.3
97.06526	1.2
97.10178	1.3
105.07042	12.7
107.08610	11.8
109.06512	3.9
109.10155	1.8
117.07025	2.6
119.08588	15.9
121.10144	10.4
123.08070	2.0
123.11709	14.6
125.09587	2.6
127.03891	1.8
128.06174	1.5
129.07013	1.8
130.07779	2.3
131.08559	8.4
133.06483	1.4
133.10117	3.7
135.08055	15.5
135.11681	3.4
137.09581	1.9
139.84769	1.0
141.06952	1.7
143.08553	8.5
145.10141	10.6
147.08043	11.0
147.11700	16.7
149.09618	10.8
155.08554	1.2
156.09367	14.5
157.69637	1.1
161.09587	1.4
161.13255	4.6
163.11145	1.4
165.09135	1.3
165.12711	1.9
171.11696	26.3
174.10413	1.6
179.14368	1.5
189.12747	52.5
207.13808	100.0
208.14091	1.7
242.17458	1.7
251.75008	1.1
360.13675	2.0
404.12399	3.1
404.75540	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82952	1.2
57.07074	1.9
61.02936	1.5
67.05511	3.0
69.03426	3.3
70.96968	2.5
76.24377	1.2
79.05499	1.9
81.03397	2.4
81.07066	15.2
82.95691	1.6
85.02908	83.4
91.05482	6.3
93.07035	2.5
95.08609	6.0
97.02900	4.2
105.07033	8.1
107.08602	4.2
109.02822	1.4
109.06499	3.6
109.10157	12.7
119.04967	6.7
119.08604	9.5
121.10158	8.5
123.08102	2.1
123.11710	100.0
125.06004	4.9
127.03914	2.6
130.07849	1.4
131.08516	1.6
133.06540	2.1
138.09177	1.9
143.08553	1.9
145.04961	1.8
145.10144	5.5
147.04428	6.4
147.08012	2.4
147.11694	14.9
149.09595	6.8
151.07578	3.2
156.10263	8.8
161.13179	1.7
165.12756	1.4
171.11658	2.4
175.03896	12.6
180.08583	1.3
189.12743	22.1
192.04164	3.5
207.06534	30.5
207.13811	67.1
225.07590	12.1
225.14882	22.6
242.17531	2.7
264.02991	1.6
354.54059	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01870	1.6
55.05520	4.7
57.03423	1.8
67.05502	2.1
69.03421	1.3
69.07059	1.9
69.76368	4.2
71.04995	1.2
79.05479	1.5
81.07064	6.1
83.04990	6.5
83.08608	1.1
83.26358	0.8
85.02916	18.5
91.05491	2.3
93.07075	4.6
95.04950	2.0
95.08592	2.7
97.02881	0.9
97.06541	4.3
99.04474	0.9
105.07027	4.8
107.08619	8.9
109.06532	13.8
109.10158	3.1
111.08086	4.9
119.08595	7.1
119.11844	0.8
121.06520	1.2
121.10144	13.1
123.08063	6.1
123.11711	13.9
125.09679	1.3
131.08592	1.0
133.06502	0.7
133.10120	1.8
135.08046	1.2
135.11743	2.2
137.09630	28.6
137.13251	2.4
139.03906	1.7
139.07547	0.9
145.10124	1.3
147.08049	2.3
147.11697	15.4
149.09647	5.2
151.11177	0.9
155.16312	0.8
156.09326	1.1
161.13263	6.0
163.11208	2.5
165.12766	100.0
166.13031	1.4
167.07089	2.4
171.11710	2.1
174.10425	3.4
179.14323	6.8
181.05147	0.8
181.28436	0.9
189.12746	17.2
207.13815	50.8
235.99216	0.9
265.23013	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.0
60.85129	0.8
67.05500	1.6
67.47755	1.0
69.03420	1.8
69.86098	1.9
69.86486	2.8
70.06600	1.3
71.04971	1.2
79.29862	0.9
81.03413	1.0
83.91847	0.9
85.02904	5.0
86.09697	1.8
87.00826	1.9
87.04465	1.3
89.03924	5.8
91.05492	1.7
97.02885	1.7
98.97569	1.3
99.04495	1.0
101.64482	0.9
103.05448	1.2
105.01854	2.5
107.08597	1.4
109.02909	1.1
109.06680	1.0
117.03387	20.1
121.06498	1.4
127.03908	2.8
128.94475	0.9
134.03624	1.3
137.06067	1.6
139.03894	3.1
140.04333	0.9
145.02850	50.5
149.05962	6.3
163.03973	1.1
163.07684	1.3
167.07010	3.0
177.05479	100.0
186.85495	0.9
204.03070	1.0
302.14536	1.0
319.17368	1.1
344.25153	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
55.37043	0.3
59.00665	0.3
60.41551	0.3
69.58633	2.0
81.54704	0.3
84.09862	0.3
85.02919	0.6
88.04008	0.4
97.02903	0.3
98.21518	0.6
105.07014	0.5
112.03713	0.5
116.75603	0.3
117.03397	0.3
124.03967	0.4
125.06992	0.3
131.05598	0.5
145.02832	0.4
149.06676	0.5
153.05246	0.5
155.01825	0.4
171.06253	0.4
175.09785	0.4
177.05531	1.3
182.40248	0.3
195.99799	0.3
202.09219	1.5
203.03963	0.6
220.10378	0.9
221.05147	0.7
224.00102	0.4
224.08971	0.7
242.10054	5.0
242.15724	0.4
257.08792	0.8
260.09869	0.7
275.09875	1.5
287.11035	9.2
305.10861	1.8
333.11334	2.0
376.14725	0.6
404.15244	100.0
405.15466	1.4
420.11679	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17823	0.6
54.05973	0.7
55.01863	1.6
55.05511	1.4
56.05026	1.0
57.03419	0.8
58.99569	0.7
67.05494	1.5
69.03410	2.3
69.07067	1.8
70.06588	2.7
71.05003	0.8
71.53387	1.4
76.71796	0.7
79.05493	1.3
81.03407	1.9
81.07076	5.9
81.81630	0.7
82.07388	0.8
83.04990	0.9
84.04511	3.8
84.08138	2.1
85.02917	3.8
85.06526	0.7
86.09711	10.1
87.04445	0.6
91.05477	1.4
93.07040	1.9
95.04985	1.1
95.08603	1.1
97.02887	1.9
97.06539	0.8
98.97556	0.8
99.04432	1.2
105.01868	1.0
105.07011	1.0
107.04942	0.8
107.08591	1.3
107.14478	0.6
109.02882	1.4
109.06489	1.1
109.10148	1.0
110.02416	0.7
114.05513	0.8
116.01657	1.4
119.08584	1.1
123.04449	0.6
123.08083	1.0
127.03907	2.3
129.01848	1.3
129.10300	1.0
130.05028	0.9
132.10216	1.1
135.08073	0.9
137.06023	1.2
137.09592	1.5
139.03909	5.2
142.03239	1.1
142.04991	1.7
143.05267	0.7
145.04935	0.7
145.10036	0.7
146.11761	0.8
147.04401	1.1
151.03920	1.0
153.05501	0.9
155.06790	2.3
155.10699	1.1
158.02724	3.0
159.11700	0.8
163.03906	1.8
163.11145	1.0
167.06999	0.9
176.03754	1.7
177.05498	1.2
177.12724	1.0
201.05449	0.8
205.12300	0.9
210.11267	1.5
211.11562	2.9
215.13959	0.8
223.13284	2.4
241.08427	0.9
241.14243	1.0
261.28702	0.8
305.08102	1.7
314.12451	0.9
317.12085	8.8
328.11728	0.7
341.12115	1.0
359.13135	33.4
364.27591	0.7
367.11768	0.9
385.12415	1.1
403.12064	100.0
404.12381	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.6
57.03427	0.6
69.03410	1.1
69.57351	3.6
70.06591	1.1
78.85509	0.5
81.03416	0.7
81.07053	0.7
84.08144	0.8
85.02905	3.4
86.09686	2.3
91.05473	0.7
93.07021	1.1
93.11206	0.7
95.08591	0.8
97.02843	0.9
98.21529	0.6
99.08070	0.8
105.07017	0.9
107.08598	1.0
109.10168	0.9
115.83130	0.5
119.08609	1.0
123.04402	0.7
123.11693	0.8
124.76570	0.5
125.09599	0.7
127.03897	1.3
135.08054	0.8
135.11690	0.5
135.36456	0.6
137.05997	0.7
137.09618	1.0
139.03915	3.2
145.10135	0.6
147.08049	0.6
149.09665	0.9
151.03908	0.8
155.06821	1.5
155.10626	1.0
158.02681	0.6
167.06912	0.8
171.11661	1.0
176.49608	0.6
189.12738	2.1
201.05530	1.1
205.20459	0.6
205.73955	0.7
207.13803	3.1
223.13268	1.1
241.08934	0.6
275.46262	0.5
299.11072	1.0
317.12027	8.0
341.11987	1.0
359.13132	29.7
383.48993	0.7
403.12091	100.0
404.12582	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	403.1026
Annotation	Apigenin 7-xyloside
Peak:m/z	Relative Intensity
67.01852	0.4
68.99794	0.2
70.64371	0.3
79.05512	0.1
83.85178	0.1
85.02919	0.2
91.05484	0.4
95.08563	0.1
97.06503	0.2
98.21461	0.1
118.18593	0.1
119.04948	1.7
121.02866	0.5
123.04501	0.1
129.01881	0.2
139.03894	0.4
145.02867	0.4
153.01836	4.0
163.03871	0.4
167.07059	0.4
171.02888	0.2
178.06108	0.1
203.07004	0.2
225.05434	0.3
229.05078	0.2
235.09692	0.3
243.06598	0.4
270.05133	0.2
271.06021	100.0
272.06363	1.7
285.07510	0.6
403.10086	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1028
Annotation	beta-Isorhodomycinone
Peak:m/z	Relative Intensity
55.01868	3.8
59.04993	0.8
60.02262	0.9
61.02932	1.1
61.75327	0.9
62.61877	0.7
65.03939	2.1
67.05510	1.9
68.99793	3.3
69.03430	2.3
69.07066	1.8
70.06595	1.8
70.30313	2.1
70.30682	1.5
74.06088	1.2
79.05489	3.1
81.03394	2.5
81.07043	2.8
85.02907	3.8
87.04472	5.8
89.06027	1.2
89.27516	0.9
90.01912	2.8
91.05476	2.7
93.07053	1.3
95.04958	0.9
95.08612	1.3
96.05634	2.6
96.61554	0.9
97.02882	1.2
97.06544	11.0
102.59394	0.8
105.06988	0.9
107.04956	1.7
107.08572	1.2
109.10147	1.0
111.00794	0.9
111.04448	1.2
119.04935	3.5
121.02880	16.5
123.04431	3.2
127.03905	0.9
129.01926	1.2
133.02850	1.0
135.04335	1.1
137.05940	1.2
139.03911	14.1
141.01854	1.9
145.02863	4.8
147.04443	3.2
149.02370	1.8
151.03877	3.1
151.07573	1.1
152.05524	2.5
153.01804	0.9
163.03931	9.3
165.01826	16.1
167.03430	3.3
167.07030	3.1
169.02759	1.1
175.03900	2.5
177.01825	1.2
177.05450	1.6
179.03423	4.9
181.05006	1.5
181.06445	1.1
183.02954	3.0
187.03964	1.8
189.01901	0.9
189.05389	1.0
193.04866	1.3
195.02826	1.7
195.08067	0.9
199.07652	1.0
202.02974	0.9
203.03439	5.0
207.10155	0.9
213.05367	1.3
217.08551	0.9
221.04504	1.7
224.11292	3.8
229.05031	2.0
231.02887	3.5
233.08170	1.0
234.16013	1.5
235.09663	5.7
241.08711	1.4
255.06540	2.5
259.15424	1.1
265.10822	1.2
267.06512	7.5
268.07327	1.3
270.05054	2.3
270.18042	2.6
271.06000	5.6
279.06516	3.5
281.08170	7.6
283.06039	87.2
284.06766	11.5
293.08102	5.2
295.06085	13.4
297.07614	13.3
305.08228	2.0
307.05991	4.0
309.04172	1.5
309.07571	24.2
311.09125	4.1
313.07086	56.1
314.07208	1.2
321.07611	40.5
325.07150	6.0
337.07080	42.5
339.08701	3.2
349.07077	34.6
350.07169	2.1
359.11060	0.9
367.08157	100.0
368.08469	2.2
371.22974	9.8
385.09128	21.8
385.13077	1.1
386.09531	1.3
403.10202	12.6
403.19336	2.9
403.25476	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	402.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83139	3.3
53.03946	4.3
55.01871	9.3
55.05507	14.0
57.03436	8.4
67.05505	43.4
69.07061	15.1
69.15900	10.7
69.16322	22.8
79.05506	24.9
81.03425	9.5
81.07061	36.3
83.04991	7.3
83.08626	6.6
85.06541	7.8
87.04438	3.1
91.05483	37.9
93.07050	24.0
95.04958	15.6
95.08620	21.8
97.06559	7.0
99.08139	3.4
105.07042	30.1
107.04971	6.6
107.08591	21.9
109.06522	4.9
109.10180	38.1
117.07012	4.7
119.08582	8.5
121.10135	3.7
123.08092	7.8
123.11720	7.4
125.09641	7.7
131.08607	7.4
131.83839	3.5
133.06477	3.2
133.10141	43.3
135.11729	8.7
137.09654	11.3
145.10152	9.5
147.11784	4.0
151.11206	23.9
159.11827	4.2
163.11215	5.7
169.12207	6.0
202.91016	3.5
247.20482	5.7
253.14301	23.1
257.19049	4.6
271.15396	6.5
275.20059	33.4
285.16946	9.2
293.21170	13.0
315.13000	3.5
349.23996	16.4
367.20374	7.1
367.24829	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	15.1
55.05510	27.8
57.03433	15.8
57.07094	9.7
67.05222	9.9
67.05519	100.0
69.07073	26.5
69.61938	36.1
69.62356	15.0
70.10711	8.5
70.51550	8.3
71.95238	7.5
73.02935	8.9
75.08427	7.8
79.05502	51.3
81.03447	13.8
81.07067	93.9
83.04961	15.8
83.08624	19.0
85.06570	10.4
85.10205	8.0
91.05485	70.8
93.07043	49.2
94.39869	10.6
95.04980	27.5
95.08610	53.5
95.74955	7.7
97.02880	10.6
97.06519	15.6
105.07020	65.9
105.22726	7.6
107.04954	9.6
107.08614	51.5
109.06538	22.5
109.10166	83.1
117.07033	12.5
119.08616	27.3
121.10147	18.9
123.08111	18.2
131.08537	8.9
133.10147	97.9
135.08084	14.1
135.11723	17.6
137.09644	17.4
147.11702	10.6
149.09644	15.7
151.11201	57.4
163.11195	12.1
165.09190	9.4
182.09863	8.1
205.07153	11.5
211.13264	10.0
247.20708	12.9
253.14392	78.0
271.15396	24.9
275.20114	80.4
285.17023	27.0
293.21094	37.8
294.54034	9.5
304.26440	29.5
349.23752	31.1
367.24850	99.9
387.58389	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	402.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42904	5.4
53.03952	10.2
53.72750	5.0
55.01866	10.7
55.05513	49.9
55.51059	5.3
57.03426	29.3
66.69062	5.5
67.05505	94.6
69.07076	40.7
70.40749	5.2
70.51241	8.4
71.53943	6.8
76.28403	6.0
79.05498	80.6
81.07062	100.0
83.04977	21.0
83.08614	21.7
91.05489	92.5
93.07050	86.9
95.04978	17.6
95.08604	51.4
97.06523	13.9
97.10167	5.9
99.08094	8.2
105.07032	66.0
107.04945	7.5
107.08594	50.0
109.06509	8.4
109.10146	31.0
111.08086	10.3
115.05476	6.0
117.07008	18.7
119.08588	44.3
121.06491	15.2
121.10150	26.0
123.08101	10.6
123.11712	9.1
125.09634	8.1
129.07022	7.8
131.08572	22.7
133.10139	55.1
135.11691	29.1
145.10155	21.5
147.11696	33.5
149.09634	10.9
149.13257	20.4
151.11206	14.0
157.10188	6.2
159.11676	19.5
161.13295	19.3
171.11671	6.6
173.13260	10.7
177.12726	9.0
226.14075	5.3
234.63736	6.9
241.19440	10.4
249.84427	5.3
253.14297	8.3
259.20593	31.3
266.26953	5.5
269.17523	45.9
275.20081	17.1
277.21790	6.3
279.25565	6.5
285.16907	11.3
293.21185	38.3
312.52686	5.7
351.20892	6.3
351.25293	24.9
367.24777	68.3
402.31876	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	402.285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09776	5.4
55.01854	8.9
55.05505	33.7
57.03431	26.7
67.05505	89.1
69.07067	43.5
69.73102	11.0
69.73512	26.1
71.55856	5.3
79.05502	65.5
80.74045	5.9
81.03419	11.3
81.07062	100.0
83.04994	14.4
83.08609	16.3
90.99423	6.1
91.05492	53.1
91.10327	5.6
93.07040	88.6
95.04957	5.9
95.08616	44.8
97.06554	28.6
97.10133	12.5
99.08064	8.8
105.07038	48.0
107.04943	7.1
107.08601	54.0
107.97202	6.4
109.06560	11.5
109.10136	16.5
117.07027	20.9
119.08612	41.2
121.06494	5.8
121.10131	23.2
125.09666	14.0
131.08588	29.3
133.10136	39.3
135.08006	6.2
135.11699	46.9
145.10146	21.2
147.11688	19.4
149.09616	21.1
149.13228	25.8
151.11205	7.8
159.11687	35.6
161.13254	9.0
163.11220	8.4
173.13147	8.2
177.12755	18.8
195.13777	10.1
227.12735	12.8
245.13937	7.5
255.15923	71.4
257.19043	16.5
269.17459	95.8
275.20023	43.8
296.10324	7.4
316.11719	13.3
349.23724	47.0
367.24738	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	402.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	5.3
55.01873	13.7
55.05513	42.4
57.03442	24.8
67.05508	92.9
69.03437	7.4
69.07071	71.4
70.11363	18.8
71.04993	10.3
79.05061	7.8
79.05495	85.0
81.03419	6.4
81.07066	100.0
83.04967	17.6
83.08630	28.8
85.06528	7.7
91.05488	66.0
93.07045	78.1
95.04975	13.7
95.08610	50.6
97.06528	23.0
97.10181	32.1
98.21387	6.3
99.08076	6.3
105.07033	59.0
107.04952	16.2
107.08598	56.8
109.06521	13.2
109.10126	15.5
111.08094	6.8
117.07019	25.7
119.08572	35.3
121.06506	7.2
121.10143	32.0
123.08048	7.7
123.11807	4.8
125.09648	24.1
129.07062	8.3
131.08598	30.7
133.10126	33.8
135.08067	6.4
135.11731	24.6
137.09616	8.9
141.06898	5.2
143.08600	4.8
145.10141	27.0
147.11708	13.4
149.09596	16.9
149.13287	16.7
157.10146	12.2
159.11687	25.4
161.13200	7.5
163.11198	12.8
171.10165	9.9
171.11685	6.0
173.13275	6.6
175.11258	6.5
177.12752	14.5
189.11201	10.8
195.13779	5.8
201.16666	4.9
227.12816	22.3
229.07660	8.8
229.14240	7.8
239.18074	5.8
245.13800	6.9
247.20505	9.9
255.15932	50.4
257.18964	14.2
268.19073	9.2
269.10751	5.7
269.17474	66.8
275.20111	58.8
286.20099	14.5
296.10040	8.6
316.11734	14.3
349.23749	89.3
366.26236	10.9
367.24805	9.8
402.17096	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	402.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05288	5.3
53.03945	15.3
55.01844	7.0
55.05516	42.2
57.03439	17.3
64.56368	6.1
65.03958	6.1
66.41834	5.2
67.05511	87.7
69.07073	51.8
70.17852	26.6
71.04981	6.6
79.05495	99.2
81.03420	11.8
81.07058	84.7
83.04989	15.3
83.08616	16.9
85.06557	6.7
91.04922	3.6
91.05483	100.0
93.07051	97.8
95.04973	25.6
95.08618	68.2
97.06544	18.0
97.10189	5.4
105.07044	74.0
107.04985	8.8
107.08595	60.2
109.06515	6.1
109.10193	13.1
111.08095	8.0
117.07027	23.7
119.08584	74.0
121.06461	10.7
121.10143	40.9
123.08022	7.1
123.11678	8.1
129.07027	9.7
131.08562	36.3
131.97371	5.6
133.10129	55.1
135.08051	6.9
135.11688	20.5
137.09547	6.7
143.08556	7.5
145.10133	22.6
147.11674	32.8
149.09665	14.5
149.13266	26.0
151.11168	5.6
159.11668	36.2
161.13278	19.1
163.11169	7.7
169.10132	8.6
171.11720	11.4
173.13297	10.4
177.12769	13.2
185.13211	5.9
192.96303	6.2
195.13832	11.0
241.19547	12.7
259.20563	49.5
269.17435	50.9
275.20099	15.8
281.30875	6.0
295.84219	6.0
331.20538	6.3
346.45340	5.6
351.25296	33.0
366.40192	5.9
402.26141	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	402.1548
Annotation	Noyaine
Peak:m/z	Relative Intensity
51.45938	0.5
52.94710	0.4
68.99434	0.4
68.99785	0.9
69.77074	2.6
70.06597	100.0
79.05502	0.8
79.60217	0.5
81.07061	0.7
85.02903	0.8
86.09745	0.7
91.05474	1.3
93.07080	0.6
97.02942	0.7
103.05471	0.8
107.04974	1.6
110.07174	0.6
117.03432	0.6
118.03662	0.6
119.04914	0.7
119.94717	0.5
121.06515	1.6
123.04462	0.7
124.03968	2.8
131.04930	0.8
132.93925	0.5
135.04422	3.8
136.37560	0.5
139.03909	18.6
145.02853	1.3
146.03159	0.7
147.04430	3.4
149.06007	3.9
151.03949	0.6
154.08652	0.9
159.04436	2.0
163.03925	8.0
165.05502	1.0
176.48190	0.6
177.05481	44.8
178.05840	1.1
181.04971	4.5
189.05458	0.8
206.43318	0.5
207.06502	0.8
208.00523	0.8
223.15379	1.2
234.11325	2.0
240.08649	1.8
249.03294	0.7
285.43628	0.5
294.44302	0.5
308.17670	0.4
317.02374	1.0
327.08731	1.1
345.09647	11.0
349.01508	0.7
402.15497	55.9
403.15662	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1547
Annotation	Noyaine
Peak:m/z	Relative Intensity
50.70636	0.3
53.58028	0.3
54.03469	0.8
55.04258	0.8
55.20745	0.4
65.03941	0.3
68.99791	1.0
70.06595	100.0
70.57876	0.5
70.58202	0.7
79.05513	0.7
81.07034	0.6
91.05505	0.7
93.07030	0.7
103.05488	0.8
104.54606	0.4
107.04948	1.8
121.06530	1.7
131.04933	0.4
135.04424	2.6
136.65695	0.4
137.05977	0.4
138.51175	0.4
139.03906	13.5
147.04361	0.4
149.05975	5.7
150.21736	0.4
153.05496	0.5
159.04402	1.1
161.06007	0.4
163.03912	7.4
165.05469	0.9
175.07555	0.7
177.05475	58.0
178.05771	0.4
181.04939	2.9
182.94989	0.4
189.05426	0.9
195.06468	0.3
205.04945	0.5
207.06444	0.4
234.11241	2.3
327.08319	0.4
345.09665	10.9
402.15491	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	402.1548
Annotation	Noyaine
Peak:m/z	Relative Intensity
53.96970	0.4
54.03465	0.6
55.01869	0.4
68.99796	1.3
70.06594	100.0
70.23453	0.3
70.42002	0.7
70.42363	0.9
71.44021	0.4
73.03188	0.5
79.05508	0.7
81.07082	0.9
85.02853	0.5
86.09735	0.4
87.26787	0.4
91.05486	0.5
93.07024	0.7
98.20790	0.4
103.05479	0.9
107.04977	1.3
121.02848	0.4
121.06511	2.3
127.18660	0.4
131.04993	0.5
135.04437	3.1
137.06113	0.4
139.03905	12.3
149.05988	4.4
159.04446	1.1
161.06044	0.5
163.03918	6.9
165.05551	0.9
175.07690	0.5
177.05473	57.4
178.05812	0.8
181.04976	3.2
189.05518	0.8
197.32501	0.4
227.35033	0.5
234.11305	2.7
327.08679	0.6
345.09705	10.3
371.74951	0.4
402.15488	54.4
403.15665	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.2
55.05509	0.8
63.25648	0.2
64.48923	0.2
69.03432	0.5
70.06588	0.6
70.43708	0.2
70.70418	0.5
70.70761	0.2
70.80637	0.2
71.05006	0.3
79.05484	0.3
81.03413	0.5
81.07069	1.4
82.06023	0.2
82.06583	0.2
83.08631	0.3
85.02905	0.6
86.09714	0.4
87.00864	0.2
91.05501	0.4
92.46830	0.2
94.06559	0.2
97.05284	0.6
98.06054	0.7
98.09719	0.4
105.01996	0.2
108.08118	0.5
109.02955	0.2
109.06559	1.4
110.06038	0.6
111.06847	0.4
119.04916	0.2
122.74193	0.2
123.04446	0.2
124.07607	0.2
126.09163	0.8
127.03940	0.4
136.30110	0.2
139.06337	1.0
142.88960	0.2
147.04437	0.3
147.61031	0.2
154.08646	100.0
155.09019	0.6
167.07091	0.3
183.46690	0.2
200.65866	0.2
205.10059	0.4
205.12183	0.2
218.09114	0.2
274.70581	0.2
384.14810	0.5
419.83289	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	401.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.3
55.01872	23.4
55.05508	10.6
57.03436	10.6
58.71917	3.5
61.02928	7.1
67.05511	29.2
68.99798	10.7
69.03436	43.7
69.07056	10.8
70.06564	6.7
70.76623	4.9
70.76955	9.4
71.05000	9.7
73.02896	6.3
77.53957	3.8
79.05504	39.8
81.03436	54.2
81.07059	86.0
83.04975	19.0
85.02909	44.6
85.06535	9.3
86.09727	6.0
87.00841	32.7
87.04478	6.1
88.03967	8.4
91.05489	25.8
93.07056	56.0
95.01317	4.8
95.04989	37.7
95.08625	24.5
97.02916	21.6
97.06534	14.4
99.04462	15.5
102.40890	4.2
103.03976	20.6
105.01883	9.3
105.07034	44.3
107.04953	18.4
107.08605	37.2
109.02889	9.6
109.06521	44.9
109.10158	18.3
111.04411	11.3
111.08081	6.5
113.05993	7.2
115.03928	6.8
117.07016	12.5
119.08589	73.7
120.08083	4.1
121.06486	8.3
121.10143	24.3
123.04433	100.0
123.08074	5.1
125.06012	8.6
127.03905	11.7
128.06200	4.3
129.01839	12.8
131.08591	18.5
133.06526	10.7
133.10126	22.4
135.08073	9.1
135.11696	27.5
137.05994	6.7
137.09622	13.7
139.03929	10.4
141.05453	10.7
142.07785	11.4
143.08540	10.1
145.04961	6.8
145.06552	6.0
145.10139	32.9
147.02901	8.5
147.08070	8.7
147.11711	9.4
149.05983	6.3
149.13217	4.4
151.07564	24.6
151.11168	9.6
153.12694	5.1
155.07021	6.8
155.08539	5.6
157.10184	25.9
159.08098	11.5
159.11716	25.4
161.09637	4.9
163.07533	4.6
163.11179	12.6
165.09077	6.2
165.12727	5.3
167.07048	28.2
169.10118	7.1
171.11676	6.4
173.09647	4.8
175.11214	11.5
177.12796	7.7
179.07060	16.2
183.11737	8.2
189.04012	11.7
189.12784	8.0
191.06996	5.8
197.08144	14.8
201.12686	9.7
207.11661	8.3
215.14285	4.9
217.08575	5.2
219.13760	9.4
225.12764	13.5
233.10207	4.8
243.13849	21.6
255.08737	5.6
261.14902	12.4
266.98004	3.9
267.95099	3.6
278.08905	7.1
301.09067	6.1
315.08606	16.5
330.11002	13.5
347.14896	9.1
351.12158	5.3
365.16064	9.0
383.12759	19.7
383.17484	9.7
401.14023	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	401.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.3
55.01872	23.4
55.05508	10.6
57.03436	10.6
58.71917	3.5
61.02928	7.1
67.05511	29.2
68.99798	10.7
69.03436	43.7
69.07056	10.8
70.06564	6.7
70.76623	4.9
70.76955	9.4
71.05000	9.7
73.02896	6.3
77.53957	3.8
79.05504	39.8
81.03436	54.2
81.07059	86.0
83.04975	19.0
85.02909	44.6
85.06535	9.3
86.09727	6.0
87.00841	32.7
87.04478	6.1
88.03967	8.4
91.05489	25.8
93.07056	56.0
95.01317	4.8
95.04989	37.7
95.08625	24.5
97.02916	21.6
97.06534	14.4
99.04462	15.5
102.40890	4.2
103.03976	20.6
105.01883	9.3
105.07034	44.3
107.04953	18.4
107.08605	37.2
109.02889	9.6
109.06521	44.9
109.10158	18.3
111.04411	11.3
111.08081	6.5
113.05993	7.2
115.03928	6.8
117.07016	12.5
119.08589	73.7
120.08083	4.1
121.06486	8.3
121.10143	24.3
123.04433	100.0
123.08074	5.1
125.06012	8.6
127.03905	11.7
128.06200	4.3
129.01839	12.8
131.08591	18.5
133.06526	10.7
133.10126	22.4
135.08073	9.1
135.11696	27.5
137.05994	6.7
137.09622	13.7
139.03929	10.4
141.05453	10.7
142.07785	11.4
143.08540	10.1
145.04961	6.8
145.06552	6.0
145.10139	32.9
147.02901	8.5
147.08070	8.7
147.11711	9.4
149.05983	6.3
149.13217	4.4
151.07564	24.6
151.11168	9.6
153.12694	5.1
155.07021	6.8
155.08539	5.6
157.10184	25.9
159.08098	11.5
159.11716	25.4
161.09637	4.9
163.07533	4.6
163.11179	12.6
165.09077	6.2
165.12727	5.3
167.07048	28.2
169.10118	7.1
171.11676	6.4
173.09647	4.8
175.11214	11.5
177.12796	7.7
179.07060	16.2
183.11737	8.2
189.04012	11.7
189.12784	8.0
191.06996	5.8
197.08144	14.8
201.12686	9.7
207.11661	8.3
215.14285	4.9
217.08575	5.2
219.13760	9.4
225.12764	13.5
233.10207	4.8
243.13849	21.6
255.08737	5.6
261.14902	12.4
266.98004	3.9
267.95099	3.6
278.08905	7.1
301.09067	6.1
315.08606	16.5
330.11002	13.5
347.14896	9.1
351.12158	5.3
365.16064	9.0
383.12759	19.7
383.17484	9.7
401.14023	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	401.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	15.8
54.25898	4.3
55.01868	14.5
55.05512	18.3
57.03436	17.5
57.07071	6.7
61.02932	12.7
67.05522	29.9
67.62859	4.0
68.99786	10.6
69.03439	86.7
69.07072	61.1
70.47432	8.3
70.47765	10.9
71.05000	51.2
72.80232	4.1
73.02914	10.1
75.04497	7.2
79.05505	35.0
81.03426	70.8
81.07066	58.7
83.04987	8.6
83.08611	21.8
85.02916	100.0
85.06546	7.4
87.00823	37.4
87.04459	7.4
89.63947	5.2
91.05487	45.6
93.07051	53.2
95.04986	31.6
95.08627	37.9
97.02903	57.7
97.03462	9.0
97.06517	11.5
99.04455	18.2
99.08087	10.3
103.03925	11.6
105.01865	15.4
105.07040	54.7
107.04973	26.6
107.08615	65.7
109.02900	39.6
109.06525	70.7
109.10176	41.0
111.04469	9.4
115.03930	16.5
115.05463	9.6
117.07021	14.8
119.04983	8.6
119.08593	63.0
121.06490	40.6
121.10182	24.7
123.04462	11.4
123.08055	23.2
123.11723	23.7
125.06017	7.5
125.13278	13.5
127.03936	53.0
127.11236	7.7
128.06236	5.3
129.01846	13.2
129.07008	14.8
131.04936	7.2
131.08578	28.2
132.07024	4.4
133.06506	20.1
133.10167	12.0
135.04449	5.6
135.08058	12.5
135.11705	38.5
137.06000	13.2
137.09608	16.9
137.13248	10.1
139.03957	6.1
139.11208	7.2
143.08571	12.9
145.04976	12.4
145.06516	8.6
145.10121	34.3
147.02893	8.7
147.08029	19.3
147.11702	17.8
149.06007	5.7
149.09610	15.2
151.07565	7.4
151.11162	11.5
153.12744	31.0
156.05725	7.7
157.06558	6.0
157.10100	5.8
159.02881	7.2
159.08067	15.7
159.11716	11.7
161.05969	5.0
161.09631	8.2
161.13225	6.9
163.11154	19.8
165.09126	9.2
165.12785	53.3
167.07076	61.2
168.40762	5.5
171.08028	9.3
171.11652	7.5
173.09645	37.3
173.13307	7.3
175.07512	6.6
175.11185	8.0
177.09189	5.5
177.12775	38.4
179.14258	7.4
187.07602	10.8
189.03987	10.4
189.12746	7.1
191.10684	14.3
193.12248	10.5
195.13779	29.7
201.03952	15.7
201.12817	8.5
205.08667	8.8
207.13728	7.1
208.05177	11.2
211.13229	5.5
215.14346	11.7
217.08623	20.0
219.08224	7.0
219.10252	7.9
219.13846	16.8
221.15346	7.1
225.12820	5.7
231.04948	12.2
231.08189	7.5
231.10175	7.9
233.15451	11.1
237.14864	15.4
239.16473	35.3
243.13879	33.8
247.07405	6.7
247.09724	11.6
248.08315	7.4
255.06607	5.0
261.14828	42.7
269.08054	14.3
279.10217	6.0
279.15964	7.7
281.08371	7.1
291.10162	9.0
307.09598	9.6
315.08575	45.7
330.11069	57.3
336.09860	5.6
339.12427	6.7
347.14890	9.1
351.12167	15.3
365.15866	17.3
369.13135	8.4
383.14706	37.6
401.15332	21.1
401.21747	16.7
401.28775	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	401.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.05519	2.1
61.02920	1.1
66.88739	1.1
67.05500	4.3
69.03425	2.9
69.07071	2.0
69.94138	6.0
70.06589	1.6
71.04973	1.3
78.04695	1.4
79.05508	12.9
81.03396	1.1
81.07062	7.3
83.04987	1.4
84.01625	1.0
85.02901	3.2
91.05501	7.0
93.07040	3.0
95.04990	3.0
95.08602	2.5
97.02881	1.3
97.06520	3.3
103.05450	1.4
104.19511	1.2
105.07024	2.4
107.04966	23.1
107.08579	1.7
111.04472	1.0
111.08038	1.3
115.05479	3.7
116.06212	1.4
117.07013	2.9
119.08582	2.2
121.06481	1.6
121.10130	1.5
123.04411	4.3
124.05223	3.6
125.06003	2.6
127.03883	1.1
128.06226	1.7
129.07022	3.9
130.07813	1.9
131.08589	6.4
135.04437	2.1
135.11775	1.6
137.06010	2.8
137.09537	1.4
139.03957	1.8
141.06941	3.6
144.05681	4.8
145.06520	3.4
147.04362	1.4
147.11703	2.3
151.03889	1.6
152.04726	1.5
153.05557	1.9
154.02805	1.3
156.05647	6.8
157.06494	1.5
158.07278	1.8
159.08058	10.7
161.05917	2.0
163.04004	2.2
165.07040	1.7
165.12732	1.6
167.07057	74.6
169.06459	2.0
173.05974	5.3
174.06778	1.8
175.07579	1.2
179.07050	2.7
180.05894	1.3
181.04900	2.0
181.08591	2.7
182.07280	1.5
183.06525	1.3
184.05280	1.3
186.06828	2.7
187.07547	7.8
189.09082	1.1
190.06242	2.1
190.07790	1.4
191.07018	2.0
191.08522	1.9
195.06567	3.8
197.08047	1.2
202.06242	4.4
203.08609	2.2
204.07791	1.6
205.06549	1.9
205.08560	15.0
207.06517	3.8
207.10228	1.6
208.05219	22.1
210.06773	1.5
211.07477	1.7
217.06552	2.4
217.08597	26.2
218.07205	4.2
219.08047	10.0
219.10233	5.4
220.08852	3.6
221.06033	4.5
229.08572	3.7
230.07216	1.9
231.08089	7.3
231.10162	2.7
232.08975	1.7
233.06065	2.1
233.09621	3.7
235.07532	2.9
236.04633	9.4
236.08301	3.6
238.06146	1.7
239.06992	1.6
239.16473	2.0
240.04247	2.0
241.08612	2.7
245.09456	2.6
246.06816	2.2
247.07494	10.8
247.09721	14.1
248.08272	9.4
249.05418	2.4
249.09117	2.1
250.06389	2.6
251.10683	3.5
252.07689	1.8
254.05768	11.0
257.04486	2.4
259.07639	2.6
260.08167	1.8
261.09082	4.2
262.09903	2.2
263.07056	3.5
263.10745	7.8
264.07922	5.7
265.08664	6.5
267.06519	6.2
268.03659	3.8
269.08096	28.4
271.06274	1.7
271.09518	5.9
272.06717	3.5
275.07068	6.5
276.07800	6.4
277.08713	5.6
278.05759	2.2
278.09222	1.3
279.10196	8.0
280.10751	1.2
281.08124	2.2
282.05545	2.6
282.08896	14.0
284.06723	2.0
285.07544	2.7
286.04541	1.2
288.07712	1.5
289.08603	2.2
290.09399	4.5
291.10199	12.4
292.07269	3.7
292.10645	1.9
293.08151	6.8
297.07544	1.6
299.09286	4.2
300.06461	2.8
300.09839	1.9
301.07025	3.3
305.08090	2.2
307.09641	9.8
308.10419	4.4
309.07675	2.9
309.11084	2.2
310.08286	6.8
311.12817	2.0
315.08658	88.6
316.09335	2.4
319.09476	7.4
321.07599	2.9
321.11072	2.7
322.08408	1.9
322.11905	2.6
323.09247	2.0
323.12698	10.8
328.09537	4.8
330.10995	100.0
331.11755	9.7
336.09879	3.2
337.10605	5.4
339.12241	10.4
341.13806	2.0
343.11804	19.6
351.12292	21.6
352.13043	3.7
353.10196	6.5
356.12604	2.7
368.12521	9.7
369.13239	5.4
371.14905	6.2
383.14926	64.1
401.16043	20.8
401.20795	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	401.1595
Annotation	Gomisin R
Peak:m/z	Relative Intensity
51.97696	1.8
53.03939	3.4
57.03433	1.9
65.03921	1.9
65.09618	1.7
67.05509	2.9
69.03426	4.5
69.07079	2.8
70.29029	3.8
77.12572	1.7
79.05502	13.4
79.39479	1.5
81.03442	2.8
81.07065	7.9
83.04964	1.7
85.02916	8.3
91.05480	8.0
93.07043	2.8
95.04977	5.6
95.08605	5.2
96.15664	1.7
97.02886	4.8
105.04519	1.8
105.07049	5.9
107.04959	31.8
107.08587	3.5
109.06526	4.1
109.10165	2.3
115.05463	4.5
116.06233	4.0
119.08566	2.7
119.51138	1.8
121.06564	2.2
121.10128	2.3
123.04421	5.3
124.05205	4.3
125.06030	3.3
127.03909	4.0
129.07018	6.6
131.08571	12.0
132.05710	2.5
135.11681	3.1
137.05971	2.7
139.03883	3.5
141.06998	7.7
144.05721	9.1
145.04970	3.0
145.06512	4.8
147.04437	2.8
151.03810	1.9
152.04698	4.8
156.05695	15.2
157.06519	4.2
158.07289	2.7
159.08038	15.4
161.06027	2.0
163.03870	2.7
163.07568	2.0
165.12730	11.3
167.07048	92.4
169.06471	2.8
169.07683	2.0
173.05997	5.8
177.01900	2.5
177.05501	2.0
179.07124	2.5
181.04951	3.5
181.08630	4.2
181.96092	1.7
184.05202	5.3
186.06738	3.4
187.07518	11.4
190.06360	4.2
191.07010	2.6
191.08643	2.3
195.06555	3.3
197.07990	1.8
201.09064	2.1
202.06259	7.2
202.07887	2.5
203.08693	4.3
205.06711	3.3
205.08571	16.6
207.06511	5.4
207.10059	2.4
208.05196	23.3
208.08847	2.7
210.06873	3.9
211.07564	3.7
215.08871	3.2
217.08618	51.5
217.10661	2.9
218.07301	5.9
219.08093	11.4
219.10197	5.8
220.08832	5.2
221.05936	4.9
229.08617	3.6
231.08095	7.0
231.10179	4.9
233.06119	3.3
233.09628	5.0
234.07339	3.1
235.07744	6.8
236.04704	8.1
236.08389	5.2
237.09348	2.5
239.16354	9.7
241.08763	1.9
245.09630	4.3
246.06760	2.7
247.07512	12.7
247.09697	24.7
248.08319	12.5
249.05568	2.7
249.09015	3.9
250.06277	2.6
251.10628	3.9
254.05765	12.4
255.06479	2.6
259.07635	3.0
260.08316	3.0
261.05566	2.0
261.09091	5.8
262.06174	2.8
262.09918	4.1
263.07065	3.8
263.10672	10.4
264.07806	7.8
265.08636	7.1
267.06589	5.0
268.03696	2.3
269.08087	24.8
271.09662	7.7
272.06750	4.2
275.06998	7.8
276.07709	8.9
277.05002	2.1
277.08603	6.1
278.09161	1.8
279.07159	2.1
279.10098	10.2
281.08441	11.0
282.05499	3.2
282.08917	11.0
287.09354	4.3
290.09402	4.5
291.10095	14.8
292.07291	5.5
293.08163	9.5
299.09116	4.0
300.06686	2.2
301.07104	3.9
304.07596	2.2
305.08206	3.4
305.11853	2.9
307.09714	11.9
308.10434	8.9
309.07629	3.4
309.11084	2.9
310.08374	5.1
311.12814	4.3
315.08624	91.9
316.09415	2.6
319.09778	10.2
321.07639	4.1
322.08167	3.3
323.12738	14.7
328.09427	2.5
330.10977	100.0
331.11774	12.8
335.09143	2.5
336.10052	5.2
337.10602	9.2
339.12350	9.8
343.11716	15.1
350.11584	2.1
351.12305	30.6
352.13040	5.3
353.10373	9.7
356.12418	5.1
368.12543	10.7
369.13321	6.8
371.14941	6.6
383.14917	74.3
384.15036	2.0
401.15497	34.1
401.21045	5.5
401.25156	2.5
401.29471	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	401.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.4
55.01867	1.6
55.05521	1.3
57.03433	1.6
57.07059	1.7
64.94064	1.1
67.05511	1.5
69.03429	3.3
69.07064	1.4
70.06595	2.0
70.50620	1.5
70.50975	3.4
71.04999	2.6
79.05493	11.2
81.03426	2.5
81.07047	5.1
85.02892	4.0
91.05486	10.7
93.07047	16.8
95.04957	3.9
95.08606	3.3
97.02879	2.0
103.05473	1.2
105.07022	5.8
107.04967	17.7
107.08600	30.5
109.02872	2.3
109.10123	1.4
115.05423	1.8
117.07030	3.9
119.08599	5.4
122.03622	1.3
123.04454	3.2
123.08100	1.3
123.11691	1.7
124.05244	2.7
125.06008	1.6
127.03915	2.8
128.06160	2.0
129.07022	2.8
131.08580	6.6
135.11699	100.0
137.06015	2.6
139.03821	1.5
141.07001	2.6
144.05692	2.9
145.06496	3.7
145.10083	1.6
151.03891	1.4
152.04681	1.7
156.05688	6.1
157.06509	2.1
159.08066	6.2
161.06033	2.2
163.03925	2.9
167.07054	53.3
169.06480	2.0
170.07277	1.3
173.05997	2.5
181.04936	4.0
184.05276	2.1
186.06813	1.6
187.07524	5.7
190.06256	1.8
191.07004	2.0
191.08522	1.6
195.06580	2.0
202.06276	2.8
202.07915	1.5
205.08600	8.0
206.07036	1.4
207.06459	1.9
207.10199	1.1
208.05219	13.4
209.08058	1.5
210.06750	1.7
211.07524	2.3
212.01447	1.1
217.08612	16.0
218.07280	2.4
219.08078	7.1
219.10176	5.3
220.08835	3.4
221.06064	2.3
221.07942	1.9
221.15370	1.5
226.06171	1.6
227.06961	1.7
229.08617	3.6
231.04945	1.4
231.08041	4.7
231.10123	2.7
232.08904	2.5
233.09673	2.1
234.06798	1.9
235.07442	3.1
236.04662	6.3
236.08311	3.5
237.09015	1.8
239.07071	1.9
245.09566	2.6
246.06828	1.5
247.07504	6.5
247.09717	9.7
248.08394	8.5
249.05539	2.5
249.09114	3.2
251.10693	2.1
254.05795	7.9
259.07620	2.4
261.09155	4.0
262.06461	2.0
262.09839	3.1
263.07095	1.6
263.10791	4.9
264.04285	1.5
264.07843	4.3
265.08618	3.0
267.06458	3.9
268.03668	2.5
269.08087	13.8
271.09653	3.6
272.06680	2.1
273.09088	1.4
275.07086	4.1
276.07886	6.2
277.08664	2.8
279.10165	4.3
281.08060	2.2
282.05435	2.4
282.08856	8.1
289.08682	2.0
290.09265	1.9
291.10022	9.1
292.07318	2.5
293.07986	6.8
299.09100	2.0
300.06256	2.4
301.07071	1.8
304.07144	1.4
305.07996	2.7
305.11438	1.5
307.09564	8.6
308.10358	3.8
309.07474	1.4
309.11078	1.7
310.08362	4.5
310.11847	1.2
311.12735	2.9
315.08621	52.0
319.09692	5.5
321.07651	2.9
322.12122	1.5
323.12747	7.1
325.10608	1.2
328.09482	3.1
330.10977	74.8
331.11676	5.6
335.08966	1.6
336.09933	4.3
337.10770	5.7
339.12411	8.0
343.11829	14.5
344.58881	1.3
351.12317	17.3
352.12894	2.8
353.10001	2.8
356.12634	2.9
368.12524	4.8
369.13333	4.6
371.14914	3.8
373.16721	1.5
383.14911	51.4
384.15155	2.1
401.16153	20.5
401.21375	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
65.57643	1.1
67.05512	2.2
69.03419	1.8
69.63102	1.9
69.63510	4.8
70.06586	3.4
72.08155	2.1
79.05460	1.3
81.03391	1.2
81.07071	1.4
84.08128	2.6
85.02905	2.4
86.09696	4.1
89.03932	11.7
91.05457	3.3
95.04974	1.1
97.02882	1.5
105.07033	1.2
107.08598	1.4
117.03381	26.5
123.08030	1.3
126.05515	1.9
127.03938	1.6
128.29199	1.0
131.04913	1.6
134.03658	2.3
135.04404	1.5
139.03918	2.8
145.02855	57.0
147.04398	2.8
149.06010	10.2
151.03920	2.2
153.01881	5.6
161.05864	1.9
161.13286	1.1
167.07054	2.3
177.05482	100.0
178.05818	1.5
181.04901	7.3
203.14093	2.0
240.12297	4.9
330.11127	1.5
401.13757	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	401.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.6
56.70331	1.8
58.72343	1.7
68.99805	1.9
69.17739	18.1
70.06599	23.7
72.08155	2.0
85.02908	1.9
86.09711	3.0
89.03929	8.8
91.05466	2.1
95.04945	2.5
97.06525	2.1
107.04977	2.2
110.07165	2.9
116.07060	2.3
117.03397	23.5
123.04427	2.8
124.03976	1.8
134.03653	2.5
139.03889	4.6
145.02852	55.0
147.04411	3.5
149.06049	9.2
151.03860	2.8
153.01843	3.0
163.03914	4.0
167.06976	2.2
177.05479	100.0
181.04945	11.5
199.10539	1.6
209.08080	2.1
242.15797	2.3
279.96539	1.6
375.97684	1.8
383.14334	1.7
387.08636	1.7
401.28763	2.5
402.15634	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	400.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20102	0.5
55.05516	7.2
57.07070	1.9
57.44990	0.4
58.06589	1.6
61.39108	0.5
67.05500	1.3
69.07070	7.7
70.06196	0.8
70.06593	14.6
71.01890	0.9
71.08624	1.0
72.08163	0.8
74.06071	0.9
80.10146	0.5
81.07072	0.9
83.08637	4.0
84.08110	0.6
86.09220	1.0
86.09711	14.6
87.09573	0.6
87.10033	3.5
88.07638	26.2
97.10158	1.4
102.09193	10.4
103.04111	0.5
132.10217	1.5
150.11201	0.9
150.58104	0.5
186.14902	5.5
187.15266	6.3
214.14410	1.7
215.14749	1.9
294.31723	0.8
338.34180	30.7
339.34503	0.8
350.62503	0.5
381.79285	0.6
382.36804	2.8
400.37872	100.0
401.38300	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	400.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	10.5
55.01889	8.9
55.05510	17.5
57.03439	15.3
67.05512	96.9
69.03434	9.2
69.07079	25.6
69.63263	27.6
69.63674	16.0
71.04982	15.1
71.10739	6.5
78.78200	5.9
79.05500	54.0
81.07066	96.2
83.05006	11.6
85.06571	8.7
91.05496	73.6
93.07050	47.1
93.73393	6.5
95.04990	15.4
95.08624	23.6
97.06541	10.3
105.07047	72.4
107.04928	13.7
107.08604	55.7
109.06504	13.3
109.10172	79.4
113.38348	6.6
113.87757	6.4
117.07014	7.3
119.08616	21.3
121.06506	7.5
121.10154	11.2
123.11731	15.9
123.12709	6.5
127.07553	7.4
131.08574	19.6
133.10141	100.0
135.08063	13.9
135.11705	13.3
145.10170	7.9
149.09677	7.9
151.11186	69.2
161.09653	12.4
169.12260	11.4
175.11244	7.8
177.09108	8.2
213.29543	7.8
215.12822	9.3
245.19016	11.4
253.14391	63.0
255.17471	8.0
263.20145	16.1
269.13937	15.2
271.15381	87.2
273.18430	48.0
291.19550	32.7
365.23215	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23692	2.7
55.01868	9.8
55.05254	2.3
55.05508	9.0
57.03435	8.9
67.05508	44.4
69.03429	4.4
69.07066	15.9
69.64851	15.9
71.05002	6.4
73.90154	2.4
79.05504	23.7
81.07058	48.6
83.04977	9.8
83.08612	4.4
84.29231	2.6
85.06561	5.4
86.19139	2.4
91.05484	39.7
93.07045	28.6
95.04996	6.5
95.08621	12.2
97.06518	2.6
99.04411	2.6
105.07032	41.2
107.04969	3.8
107.08607	26.5
109.06496	6.8
109.10159	49.0
111.04384	2.5
117.06975	5.7
119.08591	6.7
121.06520	6.8
121.10145	6.9
123.08050	3.0
123.11713	7.5
127.07615	2.8
129.05458	2.5
131.08549	8.8
133.06473	4.0
133.10144	62.7
135.08055	6.0
135.11699	4.6
145.10098	6.2
149.09625	7.4
151.11188	27.2
157.10121	3.1
161.09592	4.2
161.13266	3.7
165.67244	2.3
169.12276	4.9
171.11754	2.7
215.12802	4.1
253.14372	100.0
255.17393	3.5
269.13882	2.9
271.15369	19.8
273.18463	15.9
291.19547	14.3
347.22162	5.5
351.25339	2.6
365.18988	4.6
365.23245	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	400.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
69.03442	0.7
69.71703	2.0
70.06599	0.5
70.25864	0.3
72.08159	0.5
78.27911	0.3
79.05488	2.2
85.02893	0.6
91.05482	0.5
95.04993	0.6
97.02924	0.4
98.97610	0.4
103.05472	1.5
105.07035	100.0
106.07369	0.6
115.07622	0.4
122.09673	58.8
123.10030	0.4
127.03918	0.6
134.09680	0.5
147.04428	0.7
152.06956	0.7
152.10750	0.7
162.14255	0.3
177.05501	0.5
181.97285	0.3
238.10817	0.5
356.13336	0.5
356.76825	0.4
400.11896	1.4
410.42169	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1919
Annotation	(-)-11,12-Methylenedioxy-kopsinaline
Peak:m/z	Relative Intensity
55.05514	1.1
65.03944	0.6
67.05515	2.8
68.05035	0.5
68.73418	0.4
69.03430	0.6
69.07058	0.9
70.06587	1.7
70.92316	1.1
71.08611	0.6
78.76621	0.5
79.05502	1.6
81.05347	0.5
81.07063	2.4
91.05484	1.9
93.07057	2.5
94.06609	0.7
95.04994	0.8
95.08615	1.5
96.08104	0.6
97.06509	1.2
97.10187	0.5
105.07050	1.8
105.88677	0.5
107.08601	4.2
108.08149	1.0
109.06496	1.0
109.10160	1.2
111.04457	0.6
119.08558	1.4
119.92760	0.5
120.08078	1.2
121.10147	1.1
122.09672	1.1
123.10435	0.6
124.07588	1.2
131.08502	1.2
132.08092	1.0
133.10121	1.4
134.09642	3.8
135.08107	0.5
135.11708	1.4
136.06183	0.6
136.07596	1.8
136.11218	1.0
138.09166	1.9
138.78798	0.6
145.10191	0.8
146.06075	0.9
146.09608	0.5
147.06732	0.5
147.10506	0.5
148.11259	1.1
149.12004	0.7
150.09175	1.9
150.12784	1.4
151.09911	2.5
155.70723	0.5
159.11658	0.6
162.09145	10.1
164.07088	2.7
164.10713	3.5
166.05017	6.0
168.10362	0.6
171.06798	1.0
176.10719	1.8
176.14404	2.5
177.11523	1.6
178.05002	3.0
178.12277	7.2
178.15843	2.6
180.13850	14.6
180.34799	0.5
188.14389	0.9
191.28198	0.5
192.06573	4.4
192.13849	0.7
200.10715	0.7
201.30890	0.5
204.13861	21.7
205.14496	0.9
206.15416	54.8
212.09465	1.6
215.11880	0.6
220.13326	0.8
227.11749	2.7
228.10201	0.9
237.10196	0.6
239.08232	0.5
240.09103	1.2
244.09921	0.6
246.11275	2.0
255.11205	3.3
270.10120	0.8
273.12180	0.7
283.10828	13.4
301.11826	7.8
323.62689	0.5
329.11276	3.8
335.17978	0.6
353.18527	1.7
362.03500	0.7
363.16666	0.6
371.19724	1.6
381.17929	2.4
399.19171	100.0
399.27591	3.0
400.19553	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1915
Annotation	(-)-11,12-Methylenedioxy-kopsinaline
Peak:m/z	Relative Intensity
53.70628	0.7
55.01853	2.8
55.05492	3.0
55.97788	0.6
57.03426	1.2
57.07072	1.5
65.03940	0.9
67.05498	4.4
69.03414	1.5
69.07052	1.9
70.06584	1.0
70.68374	1.5
70.68706	0.7
71.04932	0.7
71.08630	1.2
79.05499	4.9
81.03372	1.0
81.07054	7.5
83.04964	1.2
85.02876	0.9
85.10178	0.9
91.05466	3.3
91.51565	0.7
92.05022	0.9
93.07043	5.1
94.06561	0.8
95.04961	1.0
95.08598	3.7
96.08099	0.9
97.02882	1.1
97.06490	1.8
97.10159	0.9
101.06027	1.2
105.07034	5.0
107.08593	7.3
108.08112	1.8
109.06487	1.5
109.10152	2.1
111.00777	1.6
111.04389	1.1
113.98691	0.7
117.07056	0.9
118.06487	1.7
119.08573	2.9
120.08118	1.6
121.08838	0.8
121.10139	1.9
122.09651	2.6
123.08038	1.5
123.11718	1.5
124.07584	1.3
125.08318	0.8
129.05499	1.4
131.08519	0.9
132.08046	0.9
133.08943	0.9
133.10117	2.8
134.06082	0.8
134.09648	4.1
135.07996	1.6
135.11685	1.9
136.07619	3.4
136.11192	1.9
137.05946	1.0
138.05466	0.9
138.09178	3.3
146.05995	2.8
147.06691	1.2
147.11685	2.7
148.07552	1.0
148.11206	1.0
149.08319	0.8
149.09602	0.7
149.11967	1.8
150.05493	0.7
150.09138	2.3
150.12779	3.2
151.09944	5.9
159.11748	0.9
160.90288	0.9
161.09512	0.9
161.13239	1.0
162.09140	11.4
163.13675	1.2
164.07062	6.6
164.10704	6.0
164.14343	1.0
165.12730	1.6
166.05013	5.1
168.08000	0.7
169.07526	0.9
171.02902	1.6
171.06873	1.4
175.01770	0.8
176.10718	1.4
176.14360	3.5
177.11473	1.9
178.05006	29.0
178.12277	11.8
178.15942	4.7
180.13844	38.6
191.12961	0.8
192.06566	14.8
192.13817	4.5
200.10628	0.9
204.13855	22.3
206.15410	100.0
207.15704	1.0
212.09435	2.3
220.13383	4.3
227.11783	1.9
228.10213	1.7
246.11295	6.1
250.09315	1.2
255.11319	1.6
275.10214	0.8
283.10782	9.3
301.11896	7.2
305.10748	1.3
329.11261	1.8
353.18576	1.5
371.19705	4.3
392.28195	0.9
399.19165	86.4
399.23505	3.2
400.19324	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01876	1.1
55.05498	0.6
57.03440	6.9
61.02932	2.6
69.03432	9.1
69.07094	0.7
70.06577	1.3
70.65218	1.5
71.04992	1.5
71.08615	0.5
73.02911	1.9
75.04474	1.3
77.03932	0.7
81.03423	6.2
81.07046	0.6
83.04980	0.5
84.08151	0.9
85.02910	24.9
86.09721	0.8
87.04488	1.2
91.03944	1.0
91.05495	1.3
97.02901	8.8
99.04461	2.4
102.04660	0.7
103.03960	2.1
103.05473	45.0
105.07045	1.0
107.04955	1.4
107.08605	1.1
109.02885	4.6
111.04471	0.6
117.05504	1.9
119.04965	1.4
121.03987	0.5
126.37464	0.6
127.03914	9.2
129.05486	0.7
130.04173	1.2
131.04935	100.0
132.04459	1.3
132.05310	0.8
133.04813	0.9
133.06468	1.3
145.02972	0.8
145.04971	3.5
147.04437	3.5
148.05188	11.1
150.57646	0.6
151.75146	0.5
159.04321	0.6
161.05997	4.6
161.26279	0.5
163.07550	53.3
166.16852	0.5
169.89642	0.5
173.09642	1.0
175.07556	1.3
181.08551	0.6
189.09097	0.8
191.15302	0.8
192.15802	1.8
201.07487	0.5
201.09122	2.5
204.07950	0.6
218.81348	0.5
219.10190	1.2
221.89848	0.6
236.18365	0.7
237.11230	3.4
267.11429	0.8
274.15323	0.5
399.16373	0.8
399.24762	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	399.1442
Annotation	Monomethyldihydromitorubrin
Peak:m/z	Relative Intensity
53.03942	0.8
55.01858	1.0
57.01972	0.4
57.03419	0.6
61.02916	1.4
65.03918	0.4
67.05506	0.8
68.99781	1.3
69.03415	1.1
69.63016	0.3
73.02918	0.4
73.87268	0.4
74.06059	0.3
77.03885	0.4
79.05502	3.7
81.03418	1.2
81.07071	1.7
83.04990	0.6
85.02918	2.0
91.05489	2.6
93.07053	1.7
94.04171	0.6
95.04980	1.8
95.08610	0.8
97.02899	1.9
103.03955	0.7
103.05463	2.1
105.03350	0.4
105.04556	0.3
105.07034	5.0
107.04978	2.2
109.02902	0.4
109.06520	6.6
111.04435	0.4
113.03967	0.3
115.05449	1.5
117.07019	1.1
119.04951	1.3
119.08589	0.6
121.06505	2.3
121.10144	0.5
123.04433	23.9
127.03904	0.8
128.06197	1.4
129.07001	1.4
131.04927	1.6
131.08546	0.4
132.05690	0.6
133.06508	3.9
135.04422	5.1
135.08043	2.3
137.05981	100.0
138.06322	0.8
141.07031	0.7
143.08582	0.4
145.06468	2.9
145.10175	0.4
146.96599	0.3
147.04416	8.3
147.08022	0.7
148.05231	0.5
149.05983	5.2
150.06749	0.4
151.07529	1.3
155.06075	0.4
157.06508	1.4
159.04422	4.5
159.08052	0.9
160.05196	5.4
161.05988	14.8
163.07555	10.7
165.05499	0.6
171.04494	0.6
171.08002	0.5
173.05978	5.9
174.06807	0.8
175.07571	2.3
177.05490	1.5
179.07048	0.5
182.09297	0.6
185.05977	7.1
186.06837	0.4
187.03874	1.0
187.07579	2.7
187.32553	0.3
189.05472	20.6
191.07066	0.4
199.07596	1.2
201.05531	2.8
201.09021	0.5
201.13029	0.4
203.07030	4.6
213.05444	2.1
215.07071	1.8
217.08624	0.8
219.06525	7.3
219.08574	0.5
229.08539	0.9
231.06525	11.9
233.08098	4.0
237.18460	0.7
239.09143	1.1
245.08040	3.0
249.07587	13.6
257.08081	0.7
259.09695	0.6
263.09119	4.9
271.09662	0.4
275.09207	0.8
285.11133	4.0
291.10205	0.8
297.11188	0.5
309.11200	9.8
323.13095	0.4
337.10699	0.4
339.12302	8.6
340.12735	0.5
351.12347	0.4
353.14032	0.4
355.23312	0.4
363.12344	3.0
369.13342	1.3
381.13351	8.5
399.14584	4.6
399.20032	0.7
399.25900	0.8
419.24863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08766	1.3
52.21423	1.2
55.01876	1.4
56.05027	4.8
56.96570	49.4
57.03428	2.3
57.07076	1.4
60.04512	1.5
61.01134	1.4
61.02922	2.6
64.50010	1.5
69.03433	9.7
69.63718	8.6
70.06586	2.9
71.04985	1.9
71.08618	1.9
71.95267	2.4
72.08145	3.4
73.02920	3.0
74.02423	2.0
74.06084	1.8
78.45306	1.5
81.03414	4.3
81.07080	1.9
83.04950	1.8
84.08134	1.8
84.96046	15.8
85.02909	19.3
86.03239	1.4
87.04491	1.9
91.05464	2.9
93.07055	1.4
97.02294	2.2
97.02892	24.7
98.97588	100.0
101.06030	1.4
102.05537	4.4
107.04945	1.8
109.02886	3.8
110.97575	23.8
111.04452	3.4
112.99136	8.0
116.07109	1.5
116.97818	3.0
116.98624	41.5
119.04943	2.6
121.06481	1.7
123.04453	1.4
124.99119	4.0
127.03914	6.9
128.98616	21.5
129.05522	2.0
131.00200	7.2
134.99664	8.1
136.06200	16.0
136.07288	1.7
137.05939	4.3
140.07101	2.2
140.98596	5.4
143.00174	14.4
144.98088	2.1
145.02921	1.5
145.04974	3.8
146.01236	2.4
146.99690	10.2
147.04396	13.4
148.04837	1.6
149.01210	1.7
149.05936	2.0
151.00630	1.6
152.98602	1.8
155.00096	1.4
157.01595	1.5
158.99670	15.2
161.01228	23.7
161.04654	1.7
162.99150	2.6
167.07042	4.8
169.01729	3.5
170.99669	11.3
173.01257	1.6
175.10991	1.4
176.98682	2.2
177.00722	12.4
177.05498	4.0
179.00124	1.8
179.02255	3.9
179.06935	1.7
181.98907	1.6
182.99669	3.0
187.02895	1.5
189.00677	5.4
194.99686	14.5
195.01416	2.4
197.01276	3.1
201.00684	11.4
207.01869	1.6
210.56245	1.9
213.00717	53.4
219.01779	42.2
228.05580	1.9
231.01776	29.1
237.00438	3.0
237.02800	47.9
237.08791	1.7
241.00218	4.0
249.07829	1.4
250.09366	16.9
253.03473	1.4
255.01750	5.3
259.01123	2.8
259.06888	1.5
261.02856	1.7
265.04068	2.1
267.01764	1.9
276.07608	3.8
279.01630	1.9
281.03491	2.1
291.01797	7.4
297.02878	2.7
298.09723	4.3
309.03406	1.4
309.07346	2.9
321.02966	4.0
339.03860	18.3
339.07611	6.2
353.12769	4.9
357.04956	24.9
358.08017	1.5
371.13840	13.5
375.05872	2.9
380.05899	1.5
394.15189	1.6
399.05966	56.6
399.12506	23.5
399.17673	1.7
401.07785	1.9
417.06720	7.1
420.11743	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.9763
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	6.0
69.52847	0.7
69.53265	1.4
71.95258	1.5
92.25276	0.3
93.48403	0.3
98.97582	82.0
102.61100	0.3
116.98620	30.8
130.93306	0.8
134.99657	5.8
140.00194	0.8
145.21228	0.3
154.93289	0.4
159.20720	0.4
172.94337	4.7
190.95403	2.4
214.95413	3.9
232.96437	5.9
240.18671	0.3
250.97533	1.9
256.96445	18.4
258.99689	3.2
261.03113	1.0
263.02942	0.6
274.97501	100.0
275.97934	0.7
276.98132	0.6
277.00793	3.3
283.00058	2.1
292.98553	42.1
297.98996	2.4
301.01047	1.7
303.01025	0.4
309.01367	0.3
316.00192	0.6
316.98788	0.5
353.12799	0.6
371.13788	1.8
374.98526	0.5
380.96585	1.1
398.93564	0.4
398.97800	4.1
416.98923	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	398.2695
Annotation	3,4-Dihydroxy-2-methy-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline 1-oxide
Peak:m/z	Relative Intensity
53.03942	0.7
55.01872	0.7
55.05513	1.6
57.07069	1.5
65.03930	0.5
65.06644	0.3
67.05508	3.5
68.05042	2.4
69.03413	0.6
69.07075	1.8
70.06599	14.0
70.27793	0.6
70.28179	1.0
71.04988	0.6
73.02924	0.4
77.73027	0.4
79.05503	4.6
80.05016	0.6
81.07065	5.4
83.04978	0.4
83.08605	1.3
84.08171	0.5
85.02909	0.6
85.06546	0.7
91.05495	6.6
93.07054	9.0
94.06577	1.7
95.04968	2.9
95.08620	3.9
96.08146	3.0
97.02913	0.4
98.06064	1.1
100.07629	3.7
103.05460	0.5
105.07045	10.5
107.07362	0.4
107.08601	5.4
108.08132	1.5
109.06564	0.8
109.10179	1.9
114.05524	4.2
115.05486	0.5
116.07099	5.2
117.07005	3.0
119.08591	14.2
120.08130	3.4
121.08809	0.4
121.10149	3.6
122.09669	2.5
123.08080	0.4
123.11740	0.5
128.06226	0.9
128.07085	5.7
129.07014	1.8
130.07790	0.8
131.08574	6.3
132.08128	0.5
133.08946	1.0
133.10139	5.9
134.09642	1.6
135.08055	1.6
135.11688	1.2
136.11232	1.1
140.07091	0.7
141.07036	0.6
142.07779	1.6
143.08582	4.5
144.09354	0.7
145.10132	10.7
146.09621	1.0
147.10567	0.7
147.11693	3.5
148.11224	5.9
149.09590	0.5
149.11995	0.8
150.12778	0.7
151.06273	1.3
153.06871	0.5
154.08638	1.6
155.08598	1.9
156.09360	1.3
157.10155	4.4
158.09695	0.4
158.10893	1.1
159.11707	2.8
160.11211	0.9
161.09630	0.6
161.13243	1.0
162.12862	0.9
163.11194	0.4
163.14807	0.6
164.07091	0.7
165.12755	0.6
166.08640	1.5
167.08557	1.1
168.10240	19.4
169.10147	2.3
170.10942	0.5
171.11722	2.5
172.11148	0.4
173.13295	3.4
174.09134	0.9
174.12656	0.5
175.14828	2.5
178.08665	4.3
179.08583	0.8
181.10185	0.8
183.11736	3.0
184.12535	0.6
184.52962	0.4
185.13324	1.8
186.12764	0.5
187.14882	1.5
188.14406	0.5
191.14357	1.1
192.10207	3.3
194.11823	9.0
195.11745	1.7
196.12523	0.5
197.13306	1.9
199.14867	1.4
200.14328	0.4
201.16397	0.4
206.11813	1.3
208.13330	0.8
209.13318	2.5
211.14841	1.2
212.14255	0.7
221.13371	0.4
223.14839	0.9
230.11723	0.6
232.13348	0.8
234.14923	1.6
235.14871	0.8
239.18044	1.1
246.14944	0.4
258.14789	0.6
260.16483	4.3
265.19601	1.0
283.20618	0.7
288.19498	0.5
306.20618	3.0
342.20502	0.4
365.33676	0.5
368.22345	0.5
380.25882	8.1
398.26932	100.0
399.15918	2.4
399.19260	0.5
399.20554	0.9
399.27188	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	398.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	7.6
55.01879	9.2
55.05513	2.3
57.03448	7.2
61.02944	8.0
62.01096	1.6
62.34389	1.6
68.99786	4.8
69.03437	35.6
70.06585	1.6
71.04988	6.1
71.52558	2.5
73.02935	9.1
73.06559	15.8
81.02994	2.2
81.03429	30.1
81.36555	1.4
83.04948	1.8
85.02913	100.0
87.00841	46.9
91.03962	2.4
97.02900	49.2
99.04465	17.9
105.01877	67.2
109.02899	32.0
117.01890	3.7
117.05387	1.8
127.03928	83.6
129.01840	3.6
133.08633	3.9
145.04977	53.8
147.02858	2.1
157.38867	1.5
159.02908	20.0
165.17583	1.6
189.03929	3.0
213.03952	6.3
231.05013	19.3
249.06104	8.6
284.06305	1.8
330.45230	1.6
398.09244	2.7
398.22650	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	398.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55028	1.4
53.03944	5.8
55.01865	10.4
55.05506	4.6
57.03432	6.6
59.04992	3.0
61.02922	4.9
65.85590	1.6
68.99780	3.0
69.03434	32.3
69.39720	12.0
71.04990	4.8
73.02931	8.7
73.06568	20.7
81.03423	24.9
85.02911	100.0
85.82309	1.7
87.00835	43.5
91.03954	3.1
93.04180	1.5
97.02906	43.7
98.21579	2.4
99.04453	14.0
101.06003	2.0
105.01876	63.3
105.02580	3.6
105.09178	2.5
109.02890	33.6
117.01836	3.3
125.94376	1.5
127.03923	73.8
133.08624	12.2
145.04965	49.7
147.02911	3.2
159.02905	20.1
177.04071	2.0
189.03920	1.6
210.05705	1.9
213.03967	4.6
230.35815	1.6
231.05022	21.3
238.05296	13.1
249.06123	9.4
292.46454	1.6
380.12753	2.5
381.11121	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12149	1.4
50.37667	1.7
53.03953	9.8
55.01874	11.3
55.05501	3.9
57.03432	7.1
59.04989	2.1
61.02913	6.9
61.08932	1.5
69.03086	2.4
69.03432	35.9
70.57982	3.5
71.04974	4.8
73.02923	9.0
73.06181	1.8
73.06562	28.5
81.03415	29.9
83.56023	1.4
85.02910	100.0
87.00833	44.9
87.04482	3.3
91.03957	3.0
97.02898	42.6
99.04456	16.1
101.05984	2.2
105.01871	71.5
105.02576	3.4
105.09171	3.5
109.02885	32.1
117.01846	4.8
127.03920	92.0
129.01857	4.2
133.08594	17.3
145.04968	54.6
145.05931	1.4
147.02870	3.8
159.02905	18.6
177.03963	2.5
189.04057	2.2
213.03856	4.0
231.04996	27.1
238.05327	11.4
249.06157	14.0
253.27660	1.6
302.30118	1.7
322.91019	1.6
366.56888	1.8
380.12735	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	398.1494
Annotation	2-Methylthioribosyl-trans-zeatin
Peak:m/z	Relative Intensity
55.01876	0.9
57.03436	2.0
57.07073	0.8
59.05003	3.4
61.02925	1.0
67.05498	1.1
69.03439	3.2
70.06586	0.5
71.01355	0.7
71.53548	0.7
73.02901	0.6
79.05473	0.7
81.03403	1.4
81.07035	0.7
85.02911	6.2
87.00832	2.5
91.05445	0.5
93.07026	0.6
95.08589	0.7
97.02890	2.3
99.04452	0.8
105.01889	4.9
105.06997	0.7
109.02879	1.1
109.10172	0.5
115.03906	0.5
115.11214	0.7
119.94771	0.4
120.51304	0.5
127.03933	5.2
134.04623	6.7
135.03014	0.6
138.60870	0.5
140.02795	0.5
145.04959	1.8
152.05704	2.1
159.02884	0.8
165.02333	4.3
167.02611	0.9
181.05457	0.6
182.04977	100.0
185.08249	0.6
194.04961	2.3
200.09344	1.3
205.05443	1.6
216.04688	1.3
219.07004	1.1
231.05005	1.2
231.07042	7.1
248.09662	10.8
249.06166	0.6
266.10727	78.3
267.10889	1.4
314.09259	0.6
354.91599	0.5
373.09592	0.6
398.14914	40.0
399.15195	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	8.9
55.08665	1.7
57.07083	13.3
62.36633	2.0
67.05513	21.3
69.07079	19.9
71.08646	12.7
79.05496	9.6
80.57027	1.9
81.07069	41.8
83.08633	12.9
85.10175	9.3
91.05474	10.3
93.07053	18.1
95.08612	42.1
97.10184	7.8
98.21581	3.1
101.36672	1.9
103.23125	1.8
105.07046	24.5
107.08598	18.5
109.10164	33.8
111.11723	5.8
119.08624	15.6
121.10172	13.6
123.11739	10.7
125.13270	2.9
131.08548	3.0
133.10133	14.8
135.11711	28.7
137.13255	6.2
145.10167	4.9
147.11711	42.5
149.13286	16.9
151.14825	3.2
159.11688	5.4
161.13280	32.8
163.14819	4.4
165.16502	2.3
173.13315	3.1
175.14865	16.7
177.16425	3.7
179.17984	2.4
187.14900	2.8
189.16425	6.0
201.16364	5.2
203.18002	8.5
215.18028	6.9
217.19482	3.5
221.22762	1.9
229.19556	3.7
233.22603	2.3
243.21143	6.4
257.22626	4.6
261.25870	2.8
271.55243	2.0
273.25742	2.1
275.27191	2.5
283.59250	2.3
287.27432	3.0
299.27319	3.2
314.23608	1.8
315.30533	4.1
397.38333	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	10.7
55.20394	1.0
57.07078	15.6
57.28704	1.1
65.56806	1.0
67.05507	24.8
69.06738	1.4
69.07074	19.2
71.08629	14.2
75.69678	1.2
79.05495	11.0
81.07060	43.8
82.70928	0.9
83.08630	14.2
85.10184	8.3
91.05476	12.4
93.07048	22.5
95.08611	41.6
97.10178	10.5
101.24751	1.1
105.07030	25.2
107.08592	19.3
109.10158	33.1
111.11725	6.0
117.07036	1.8
119.08582	22.4
121.10143	14.2
123.11703	11.2
125.13254	2.1
126.56022	1.0
131.08601	3.0
133.10138	17.4
135.11696	27.6
137.13281	4.0
145.10129	3.4
147.11693	48.2
149.13266	14.7
151.14799	2.9
159.11732	4.4
161.13264	37.7
163.14806	6.1
165.16348	3.2
173.13269	2.8
175.14828	16.4
177.16415	2.2
179.17924	1.5
187.14879	3.0
189.16406	8.7
191.17953	1.7
193.19406	1.3
194.44928	1.0
201.16379	3.9
203.17934	8.3
215.17958	9.9
217.19493	3.6
221.22662	1.5
229.19621	5.6
233.22594	1.2
243.21181	6.7
247.24380	1.4
257.22650	6.7
261.25778	3.3
275.27313	2.2
287.27359	4.5
299.27545	2.3
301.28839	2.9
315.30533	3.9
397.38312	100.0
398.38571	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	397.2223
Annotation	Tinocordiside
Peak:m/z	Relative Intensity
54.32852	0.6
55.01858	1.0
55.05496	2.5
55.36335	0.6
57.03429	0.7
61.02923	0.7
67.05492	2.9
69.03415	2.1
69.07073	4.2
70.06596	1.0
71.54402	1.1
79.05479	2.5
81.03404	1.6
81.07066	5.2
83.04972	1.7
83.08614	0.8
84.08134	0.8
85.02927	3.3
91.05490	3.8
93.06495	0.7
93.07018	4.5
95.04955	0.9
95.08612	4.8
97.02872	1.4
97.06568	0.8
100.11221	0.8
103.05349	0.7
105.03394	11.7
105.07038	6.9
107.08575	3.0
109.06522	1.6
109.10146	2.2
111.08113	0.7
117.07035	1.3
119.04941	6.4
119.08588	10.8
121.06464	1.4
121.10144	2.6
123.08041	1.4
123.11679	1.0
125.09618	0.7
127.03934	1.3
127.07481	0.7
128.06239	0.9
129.06966	2.3
129.94939	0.8
131.08601	3.4
133.06451	1.4
133.10155	6.0
135.08078	1.6
135.11685	1.1
137.05957	3.1
137.09637	1.0
142.07806	1.0
143.08542	5.5
145.10165	3.5
147.08041	10.4
147.09103	1.2
147.11688	2.8
149.09645	0.9
149.13255	1.0
151.11205	0.9
156.09332	0.9
157.10146	7.9
159.11684	2.8
161.09644	6.8
161.13152	1.0
163.11169	2.2
171.11684	2.6
173.13309	4.9
175.11191	18.9
175.14832	2.8
187.14790	3.5
188.09222	1.7
189.12749	8.5
189.16357	1.3
191.14320	0.9
198.06818	0.9
199.14792	9.0
205.15913	4.3
217.15900	25.4
235.16934	100.0
236.17265	1.5
243.10089	0.9
273.11472	0.7
353.10257	0.9
354.14679	1.2
397.12268	1.5
397.17075	3.5
397.20987	0.7
397.26224	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	397.1646
Annotation	Predurallone
Peak:m/z	Relative Intensity
55.77297	0.9
60.18568	0.8
69.03428	1.1
71.53511	1.5
79.05465	2.2
81.03389	1.2
81.07035	1.7
85.02907	1.1
91.05487	9.1
94.04181	1.9
95.04964	1.5
103.05462	1.2
105.07015	1.9
107.04949	1.4
108.05717	0.9
109.06538	1.2
115.05477	1.4
117.07000	1.4
119.04941	5.9
120.52626	1.0
122.03650	6.2
124.05186	1.9
127.03913	1.1
128.06204	2.4
129.06949	3.1
131.04904	2.2
131.08568	2.9
133.06488	1.3
135.04399	1.3
137.05977	82.9
139.41672	0.9
141.06982	3.6
141.43051	0.9
142.07799	1.8
144.05757	1.4
145.06502	3.2
146.03661	1.4
147.04372	2.0
147.08105	0.9
149.05975	4.2
151.07542	10.3
152.06168	1.0
153.06960	3.2
154.41272	1.0
155.08543	3.6
157.06487	3.5
158.07286	2.1
159.08099	4.7
161.05992	12.0
161.09599	2.5
165.06981	4.4
167.08582	2.4
168.05658	1.6
169.06480	1.8
170.07222	1.1
171.08037	4.0
172.08797	4.6
173.09656	2.5
175.07565	4.1
181.06468	1.8
182.07236	6.5
183.08041	4.4
184.05202	1.4
184.08826	3.4
185.06009	1.4
185.09627	9.5
186.06789	1.9
187.07535	4.9
187.11244	2.3
189.09137	2.0
189.12802	1.8
191.06995	3.8
194.07338	2.6
195.08061	2.0
197.05972	1.3
197.09576	10.9
198.06769	14.2
199.07513	7.7
199.11148	2.0
200.08327	3.7
201.09125	2.6
209.09569	2.1
210.06743	2.2
211.07538	3.1
212.08301	5.0
213.09113	21.6
215.10609	7.1
217.08475	2.1
224.08287	1.1
225.09090	15.1
227.10638	1.7
229.08533	2.5
231.08116	1.6
231.10196	1.5
232.08867	1.2
233.09602	1.9
242.09404	2.0
243.08133	1.7
243.10222	21.4
245.09602	1.5
245.11719	2.5
247.07495	1.7
248.08342	1.6
249.09201	1.2
255.10201	6.6
257.09506	2.2
259.07565	1.3
260.08575	1.7
261.09024	3.4
263.10873	1.0
271.07449	2.2
273.11234	75.2
274.09860	2.2
275.10629	2.3
276.07785	1.9
277.08505	2.2
277.12064	1.3
278.12543	1.0
285.09137	3.3
288.07785	1.6
289.08554	3.3
289.12024	2.4
290.09467	1.6
291.10156	4.4
292.07492	2.0
292.10864	1.6
293.08234	2.4
293.11655	2.9
301.08435	2.0
302.09241	1.5
303.10086	4.4
304.10852	1.6
305.08121	1.8
305.11667	2.5
306.08817	1.8
307.09592	9.0
308.10437	4.3
309.11267	1.2
315.10287	1.4
317.11682	2.7
318.08603	1.1
318.12393	1.8
319.09470	3.2
320.10471	2.2
321.11124	6.3
325.10760	2.5
333.11060	1.8
334.11865	1.6
335.12808	5.8
337.14380	1.8
339.12344	1.6
347.12875	1.2
348.13669	1.5
349.14301	5.6
351.12305	5.1
353.13663	2.4
354.14655	11.9
366.14771	1.4
367.15533	5.1
379.15509	9.1
397.16403	100.0
397.21930	45.5
398.16693	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	396.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.5
59.04988	1.7
69.03419	1.5
70.02951	2.8
70.65137	2.6
71.08631	2.4
72.04513	7.0
78.83533	1.1
79.05495	1.3
80.07687	0.8
81.07065	10.1
83.08623	2.8
85.02907	3.9
90.05562	61.3
97.02886	2.2
98.02421	9.5
99.08120	4.4
100.03965	1.3
101.81514	1.0
109.06529	11.4
110.09635	1.1
116.03464	7.1
127.03938	1.3
127.07534	2.7
138.09174	10.7
145.08678	1.2
150.36241	1.0
156.10162	2.8
174.11253	1.2
180.10298	1.4
198.11275	16.8
216.12335	16.3
234.13379	100.0
235.13652	1.2
397.07471	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	396.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.5
56.80438	0.5
57.93817	0.4
67.05493	1.7
69.03416	0.7
69.07062	1.0
70.02947	0.7
70.06567	0.6
71.04990	0.5
71.53433	0.5
73.02895	1.0
79.05476	0.7
81.03417	0.8
81.07043	1.0
82.04203	1.1
85.02912	1.6
89.03921	6.9
91.05486	1.1
93.07070	1.1
95.04972	1.3
95.08606	0.8
97.02897	0.4
97.06505	3.3
98.02416	1.4
100.03990	0.7
105.01865	0.6
105.07011	0.5
106.04156	0.8
109.06547	0.4
109.10126	0.5
110.06042	0.7
116.03426	1.2
117.03386	23.8
119.08616	0.5
123.11616	0.5
124.07581	1.4
125.06020	3.5
127.03918	1.5
130.79156	0.5
134.03618	1.6
135.04419	1.4
137.06013	0.5
142.08589	2.3
145.02850	54.1
145.10159	0.6
148.07843	0.8
148.11166	0.5
149.05995	8.0
150.03741	0.4
152.05638	1.7
163.03952	0.6
177.05473	100.0
178.05717	0.6
180.10155	0.4
184.09641	0.9
186.05519	1.5
202.10762	22.9
205.08115	0.5
233.07399	1.5
262.04886	0.4
276.93918	0.5
279.08020	4.8
304.19113	0.6
307.07489	1.9
363.83661	0.4
396.20087	8.7
397.16550	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.3
57.07080	13.9
57.47506	1.8
60.29697	1.8
67.05511	14.8
69.07067	18.0
69.87924	10.2
71.08633	15.9
79.05499	7.9
81.07063	46.8
83.08612	12.7
85.10159	10.6
89.05979	2.1
91.05489	15.5
92.59625	1.9
93.07044	13.9
95.08618	25.7
97.10178	7.0
98.10120	1.6
105.07037	22.3
107.08599	12.9
109.10151	14.5
111.11708	6.0
117.07023	12.4
119.08630	11.4
121.10152	6.2
123.11713	8.0
125.13263	2.9
129.07033	2.8
130.07773	2.2
131.08572	16.0
133.08574	2.8
133.10138	26.2
135.11688	5.9
137.13289	4.0
143.08582	5.7
145.10139	39.5
147.11713	19.9
149.13248	4.4
151.14859	2.5
157.10100	9.7
159.11694	34.8
161.13283	6.7
171.11693	3.3
173.13264	11.7
175.14809	2.5
185.13251	2.7
187.14835	4.2
189.16531	2.8
195.12224	2.5
199.14874	5.8
201.16496	3.2
213.16414	3.6
215.18024	2.6
221.23012	2.1
227.17992	2.3
232.59247	1.8
237.49641	2.0
241.19540	4.1
255.21146	7.3
275.27505	2.9
395.36752	100.0
396.36694	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.204
Annotation	Gly Arg Tyr
Peak:m/z	Relative Intensity
51.79615	0.6
53.03927	0.5
55.05510	0.6
57.03440	0.6
58.50424	0.5
65.33389	0.5
67.05482	1.3
69.03425	0.6
69.07070	1.0
69.14555	0.5
70.47077	0.8
70.47426	1.0
73.25207	0.4
79.05502	0.7
81.07046	2.0
85.02891	0.9
85.06543	0.9
89.03919	0.6
91.96117	0.5
93.07063	1.0
95.08619	1.8
97.02905	0.5
97.10181	0.7
99.08122	0.6
105.07034	0.7
107.08617	0.6
109.10165	1.6
117.03407	0.7
123.11678	0.9
133.10149	1.0
136.88742	0.5
137.05989	0.9
145.02875	2.1
147.04428	0.8
152.05664	0.7
158.50314	0.5
159.11671	0.9
177.05492	3.1
197.19057	1.0
202.10768	0.8
203.05322	0.6
207.88104	0.5
208.51123	0.5
237.18462	0.5
326.69012	0.5
395.20441	100.0
396.20850	1.7
397.54056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
55.05515	0.6
56.96577	0.5
60.08166	4.7
61.02921	0.8
67.05486	0.6
69.03413	1.5
69.07055	0.6
70.06548	0.8
70.32619	2.3
71.04980	0.7
71.99385	0.5
72.08164	0.7
73.02909	0.8
74.06063	0.6
81.03410	1.0
81.07045	1.0
84.74527	0.5
85.02898	2.7
90.05545	1.1
91.05466	2.6
94.19924	0.6
97.02853	0.9
98.06029	0.7
98.97597	1.1
113.65659	0.7
118.06615	0.8
119.04947	3.4
120.08110	1.3
121.06467	0.7
122.06093	0.7
127.03937	1.3
130.06516	2.6
132.04395	0.8
136.07550	0.6
144.08060	1.6
145.04962	0.8
146.06006	1.2
147.04414	15.2
148.04755	1.1
154.06505	1.4
156.08069	1.6
158.06033	2.0
160.07596	1.0
170.06052	4.4
172.07570	1.9
177.05507	1.1
182.05991	1.8
184.07544	1.0
186.05464	1.2
188.07050	0.9
197.10686	0.8
199.08636	2.8
200.07097	2.2
200.09451	1.6
201.10278	0.9
203.11888	0.8
205.06450	1.0
211.08617	2.3
212.07227	0.6
212.09248	1.2
213.10219	6.1
215.11807	8.9
217.09746	1.6
223.12399	0.7
225.10245	3.9
226.11154	0.7
228.06525	1.0
228.08702	0.7
228.12701	0.7
229.09718	1.6
231.11253	1.5
233.06110	0.6
234.06754	2.2
234.98940	1.4
239.08154	2.7
239.11781	3.3
240.08865	1.8
241.09782	3.0
241.13338	3.7
242.10516	4.2
243.07669	0.9
243.11325	7.5
245.09096	1.3
246.07677	4.6
253.09779	6.6
255.02007	1.0
256.12009	0.8
257.09308	3.0
257.12814	1.7
258.03860	0.8
259.10895	3.8
263.10275	3.0
267.11374	3.5
268.08365	1.8
269.03766	3.1
269.10104	0.6
269.12793	4.0
271.10794	25.8
273.03159	2.1
275.10263	2.3
285.12399	5.4
286.06317	4.1
286.09024	0.8
287.13821	2.8
297.12335	5.6
303.09952	1.4
303.13376	1.6
313.11844	6.7
315.04208	1.1
315.13345	6.4
317.11169	0.7
318.09708	3.9
321.10861	2.7
323.10281	2.5
331.08502	1.3
331.12909	3.2
332.06906	4.1
333.14352	2.3
335.07819	2.7
336.10773	7.2
341.11334	6.8
349.13898	1.8
359.12402	14.2
360.00894	0.6
377.08990	3.0
377.13409	20.5
395.14441	100.0
396.14749	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	395.1105
Annotation	Griffonianone B
Peak:m/z	Relative Intensity
53.06783	2.8
55.01866	3.1
63.32825	2.7
67.05499	7.9
69.03430	5.7
69.07074	5.3
70.06609	3.9
71.05025	5.8
71.53501	3.4
72.08160	3.1
79.05489	6.0
81.07047	11.3
84.08146	2.9
85.02911	6.1
85.06545	10.6
86.09705	4.5
91.05476	11.7
93.07068	6.5
93.63266	2.8
95.08615	6.0
95.46399	2.4
97.06567	4.2
98.97577	7.7
99.08118	2.7
102.33446	2.5
105.07032	4.5
105.73177	2.6
107.05000	2.7
109.10174	4.0
110.97563	3.5
111.08131	3.4
115.81236	2.5
116.31956	2.8
119.04928	8.9
119.08566	3.0
120.08099	3.2
121.03020	3.3
121.10116	4.3
125.06016	3.6
126.06324	4.6
127.03899	4.2
128.98590	3.0
133.10146	4.6
137.06029	19.7
138.06306	10.3
147.04420	29.2
147.08081	3.1
177.05446	4.7
179.10648	5.3
180.11142	7.7
184.49380	2.6
197.11729	8.1
198.12079	9.1
219.01768	8.0
222.44908	3.2
224.04156	3.2
234.99124	3.9
237.02864	10.7
237.60558	3.0
251.06010	4.1
251.50052	2.7
252.52072	2.8
273.10989	3.5
276.10889	3.6
276.78867	2.8
335.07971	8.6
341.23676	2.9
395.11038	100.0
395.18961	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.095
Annotation	Unknow
Peak:m/z	Relative Intensity
66.42665	1.9
67.42223	1.9
67.42657	1.8
69.73157	1.8
71.51820	3.6
78.70989	2.0
78.95184	2.2
79.49180	1.9
97.49334	1.8
103.35101	1.9
134.78139	2.2
159.10005	2.2
190.59367	2.3
278.35516	1.9
307.02008	2.0
307.71680	2.1
328.12399	2.1
395.09518	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.5
55.01873	5.8
55.05517	19.8
56.29205	2.0
57.03432	6.6
61.02914	8.5
61.62917	2.0
62.04820	2.1
67.05511	27.5
69.03433	34.4
69.07073	54.5
70.06591	3.3
71.04988	8.7
71.52895	1.8
73.02927	4.8
79.05497	11.1
81.03419	23.9
81.07066	62.9
83.04974	4.9
83.08616	10.2
85.02911	100.0
85.06558	3.4
87.00835	42.1
87.04497	3.4
91.03928	2.5
91.05483	14.7
93.07052	16.3
95.04945	3.0
95.08614	59.3
96.87514	1.9
97.02899	40.2
97.06545	6.5
97.10164	6.1
99.04458	11.4
99.08065	2.4
105.01875	73.5
105.07037	15.9
107.08597	9.0
108.04491	3.6
108.08133	3.3
109.02888	23.1
109.06537	3.2
109.10162	8.6
111.08166	1.9
111.11726	5.5
113.09618	2.4
117.01852	2.1
118.06524	2.0
119.08586	25.2
120.08104	5.0
121.10140	9.4
123.08065	9.1
127.03930	70.9
127.07583	3.5
129.01834	3.9
133.10132	16.7
135.11703	15.5
137.13269	73.9
139.11160	2.0
145.04979	42.6
147.04416	2.1
151.11235	2.3
159.02940	9.4
159.09193	4.0
161.13264	67.3
163.71025	2.0
176.14383	6.4
179.14328	86.8
189.03984	3.1
194.11740	2.7
197.15387	39.7
213.03944	2.7
215.16478	9.1
219.13950	2.5
219.80692	2.1
220.13370	3.5
229.10451	6.5
231.05026	23.8
247.11588	4.2
249.06041	11.4
280.13547	3.0
350.14285	5.5
394.20023	8.0
394.25903	9.4
394.30429	2.4
394.34756	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	394.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01864	4.4
55.05507	11.9
57.03433	6.3
57.07073	2.0
61.02908	3.9
67.05503	14.0
68.99807	1.7
69.03439	18.5
69.07072	36.4
69.07426	1.4
69.25706	12.7
69.26123	5.0
71.01360	1.8
71.04978	7.5
73.02924	3.9
79.05501	5.2
81.03431	12.8
81.07063	40.5
83.04971	4.2
83.08617	9.0
85.02910	58.4
85.06526	9.3
87.00835	12.1
87.04441	2.9
88.63592	1.9
91.05457	9.4
93.07039	12.2
95.04961	1.8
95.08608	49.7
97.02890	16.1
97.06535	8.8
97.10152	6.2
99.04458	5.6
99.08083	7.0
105.01886	16.3
105.07040	19.1
107.08572	9.8
109.02886	14.2
109.06507	3.7
109.10165	5.8
111.04462	1.9
111.08060	5.2
111.11700	6.6
113.09658	3.5
115.03911	2.7
115.07519	1.9
119.08583	27.4
121.10162	9.8
123.08047	4.2
127.03927	23.6
127.11184	2.9
129.12718	2.7
133.10136	22.9
135.11681	13.4
137.09589	3.6
137.13260	14.9
139.11195	2.6
141.09103	3.6
141.12816	3.8
145.04991	9.1
147.11678	3.4
151.88031	1.9
159.02858	5.0
161.13271	68.3
161.14633	3.3
162.07681	2.7
165.12801	2.6
179.14325	100.0
187.09457	1.6
197.15375	44.9
204.42792	1.9
215.16440	12.7
219.13852	3.1
231.05040	7.2
237.14871	2.8
297.16895	3.3
323.14941	8.5
335.91873	1.7
341.16122	5.0
394.25833	3.2
394.31290	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	394.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.4
55.05511	3.9
57.03444	1.2
57.07063	1.5
61.66105	0.5
64.06330	0.5
67.05501	3.8
69.07068	19.3
71.04996	1.0
71.08626	0.9
71.53319	0.6
72.08173	0.7
79.05487	4.7
81.07064	3.2
83.04987	1.2
83.08616	5.7
91.05469	0.8
93.07054	6.5
95.08611	2.0
97.06541	5.5
99.08105	0.8
107.08596	5.1
108.01190	7.6
109.10178	1.0
111.08063	1.2
114.12895	0.5
114.18882	0.6
115.76357	0.5
126.02219	100.0
130.57214	0.6
135.11682	8.0
152.30969	0.5
153.12747	9.8
166.72939	0.7
224.14462	0.5
278.14218	34.5
296.15280	26.0
297.15771	0.6
337.65274	0.6
350.94260	0.6
414.55963	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2226
Annotation	Pulchellamine G
Peak:m/z	Relative Intensity
55.01875	2.3
55.05511	19.6
57.07067	1.9
67.05518	9.3
69.03426	3.0
69.07061	6.0
70.06594	3.9
71.54125	2.7
73.48026	1.3
74.57641	1.3
77.54359	1.2
79.05502	9.8
80.05022	1.9
81.07058	9.0
82.06575	3.0
83.08620	10.0
85.06548	1.7
86.06060	2.4
87.04460	5.9
87.12389	1.4
91.05486	6.0
92.12756	1.3
93.07021	6.5
94.06561	5.2
95.04967	1.5
95.08597	5.0
96.08149	1.5
96.12278	1.4
97.06548	1.3
97.10184	15.1
98.06069	7.6
105.07022	14.4
106.06578	3.5
107.08595	8.3
108.08131	4.7
109.10153	2.9
111.19114	1.3
112.04988	1.5
117.07006	1.8
118.06548	3.1
119.08596	6.0
120.08136	7.9
122.06049	1.9
124.07581	2.1
125.09641	6.3
131.07329	2.8
131.08510	2.2
132.08142	2.7
133.10106	2.3
134.09677	7.8
135.10454	3.0
136.07549	3.4
136.11215	1.9
144.08086	1.8
145.08809	2.1
146.09668	3.4
148.07536	1.4
148.11159	3.3
149.02374	4.0
152.07071	5.8
158.09639	2.2
160.11206	10.0
161.13243	2.6
162.09145	1.9
162.12827	3.7
164.07060	4.0
168.06506	2.9
176.10703	4.5
178.12288	8.3
182.08151	12.6
188.10736	1.9
193.04988	4.0
194.11739	3.0
206.11819	6.8
208.09669	5.9
222.11356	1.9
224.12831	15.4
248.16454	5.0
264.19550	3.6
288.15973	2.0
288.19565	1.8
294.18277	1.6
302.21356	2.0
306.16934	1.5
312.19489	2.9
330.20612	10.6
334.16397	3.1
348.21689	12.4
352.17535	3.9
358.20129	4.0
362.27200	2.3
376.21149	29.7
388.27524	1.7
394.22211	100.0
394.29401	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	394.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.7
53.57901	2.7
55.01865	8.5
55.05501	11.8
57.03426	8.2
61.02915	11.0
67.05515	14.4
69.03086	2.8
69.03436	37.5
69.07072	67.2
70.12546	8.3
71.04996	6.8
73.02915	7.1
79.05489	6.4
81.03426	19.7
81.07059	34.8
83.01312	2.6
83.04968	4.5
83.08614	10.0
85.02910	100.0
85.06535	12.0
87.00838	37.8
91.03946	4.7
91.05463	10.5
93.07036	10.1
95.04910	2.9
95.08614	40.2
95.73964	2.9
97.02891	33.2
97.06528	7.5
97.10144	3.3
99.04444	9.8
99.08089	6.8
102.97927	2.5
105.01865	33.7
105.07023	18.6
107.08595	9.4
109.02867	27.5
109.06511	2.9
109.10155	7.0
111.08096	13.7
111.11737	19.1
113.09624	4.1
115.03909	4.1
119.08610	23.9
121.06534	2.5
121.10139	7.8
123.08064	7.2
123.09712	2.7
123.11690	5.9
127.03098	4.4
127.03936	54.1
127.11159	6.0
129.01846	4.7
129.12755	11.5
133.10155	15.0
135.11671	13.9
137.09563	6.2
137.13249	11.6
139.07497	3.7
139.11180	4.4
141.12743	8.6
143.08517	2.8
145.04988	21.5
147.11639	3.3
151.11162	2.6
151.14787	3.5
159.02888	12.0
159.11674	3.5
161.09526	4.0
161.13275	50.7
162.07753	9.9
163.11180	3.6
169.12238	5.2
179.10727	5.1
179.12772	4.0
179.14326	62.1
185.15515	3.2
189.03960	3.8
197.11765	3.8
197.15358	30.9
201.12701	5.3
215.16399	6.1
219.13815	8.9
231.05020	10.1
237.14886	7.6
297.17050	5.6
323.14941	23.7
341.15979	7.3
376.96039	2.9
394.25800	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.9
55.01866	5.9
55.05508	11.0
57.03442	7.8
61.02925	5.6
67.05497	5.8
68.99792	2.2
69.03078	2.6
69.03434	35.5
69.07075	50.8
70.17853	2.5
70.18173	2.9
71.04997	3.1
73.02920	6.1
79.05492	2.7
81.03436	20.9
81.07066	10.9
83.08611	3.3
85.02914	95.5
87.00838	45.0
91.05497	3.0
93.07055	3.6
95.08621	10.8
97.02901	37.5
97.06503	1.7
99.04477	13.7
105.01877	100.0
105.07025	3.9
107.08636	1.9
108.04487	4.2
109.02889	25.6
109.06516	1.9
111.11716	9.8
117.01875	1.6
119.08569	4.5
120.08051	1.7
121.10116	1.9
127.03928	79.3
128.14392	2.0
129.01881	4.2
132.34969	1.3
133.10147	3.5
135.11679	4.7
137.13258	16.1
145.04976	42.0
147.02832	2.2
152.72165	1.3
159.02898	9.2
159.09200	2.1
161.13260	15.6
179.14317	17.8
189.03969	4.2
197.15404	10.4
213.03925	2.7
215.16411	3.9
219.13741	1.8
231.05025	31.9
247.11559	1.5
249.06122	13.8
253.24428	1.5
255.15907	1.7
297.08429	1.6
330.91470	1.5
394.19855	2.6
394.25217	1.9
394.29837	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	394.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.8
55.01881	2.7
55.05508	2.5
57.42704	0.7
67.05508	1.4
69.03436	2.2
69.07079	2.7
70.06586	1.2
70.48600	2.3
71.04996	1.1
72.08154	3.1
76.54951	0.7
79.05507	2.7
81.03419	1.2
81.06606	0.7
81.07062	13.9
84.04488	1.2
84.08150	1.1
84.14036	0.8
85.02916	6.5
85.06551	1.1
86.09706	2.3
91.05498	2.0
93.07050	2.5
95.04990	1.4
95.08631	1.9
97.02898	1.7
97.06544	1.3
99.04462	2.0
102.05567	1.0
105.07025	1.1
107.04955	1.0
107.08617	2.1
109.02866	1.6
109.06523	5.5
109.10180	2.9
111.04373	0.8
111.08082	1.1
119.08578	2.3
120.08112	2.4
124.32958	0.8
125.06007	6.9
127.03926	4.4
131.11723	0.9
133.10103	4.4
135.10396	1.4
137.05988	100.0
137.09570	4.4
143.08603	1.3
145.04951	1.0
146.06017	2.9
151.07607	0.8
151.11243	1.1
161.06027	0.9
161.09644	5.4
166.08665	1.5
178.15964	1.3
179.10687	48.6
183.11339	1.0
196.13382	0.9
196.17009	1.1
197.11748	73.9
201.12352	0.8
214.14394	3.3
215.12839	2.4
232.10593	0.8
232.15358	1.2
237.02832	0.9
264.75168	0.8
355.62701	0.9
394.20233	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	3.9
51.36800	2.4
53.03941	6.9
55.05510	19.3
57.03425	4.4
57.07069	4.2
59.04985	3.2
62.08937	2.5
65.03936	3.0
67.05235	2.3
67.05507	26.1
69.03426	16.5
69.07079	22.1
69.77765	6.4
69.78189	10.4
71.04998	22.4
73.06557	3.3
79.05482	25.6
81.06591	5.3
81.07059	100.0
83.04968	11.6
83.08608	5.3
85.02898	5.0
85.06547	14.3
87.04446	3.5
91.05495	20.2
93.07045	81.6
95.04965	34.7
95.08617	40.1
97.06507	12.0
97.10175	6.8
99.04456	5.3
99.08073	5.6
101.05953	2.8
105.07037	33.1
107.08597	68.0
109.02875	3.0
109.06519	9.3
109.10162	43.9
111.08087	17.4
111.11693	3.8
115.07563	7.1
117.07061	4.6
119.00878	2.7
119.08582	25.4
120.08067	3.9
121.06487	4.1
121.10152	80.8
123.08044	8.3
123.11719	46.4
125.05980	3.0
125.09634	37.1
127.03838	3.1
127.11142	3.6
129.06981	3.4
131.08591	6.9
133.10129	27.3
135.08049	3.9
135.11708	23.8
136.33006	2.9
137.09589	6.8
137.13142	3.4
139.11174	9.5
141.09067	2.8
143.08592	3.0
145.10118	13.8
147.11694	10.1
149.09628	4.1
149.13313	5.7
151.11177	16.4
153.12752	8.0
157.10110	5.7
159.11685	9.9
161.13249	7.7
163.11172	7.8
165.12799	6.4
167.10651	7.3
169.12236	30.9
171.10277	3.8
171.11665	6.0
173.13258	7.1
175.14749	5.4
177.16351	3.6
181.12216	7.5
185.13206	3.3
187.14780	5.8
192.53235	2.5
201.16373	4.6
203.17993	4.1
205.15767	4.2
211.14772	3.5
213.16426	3.8
249.18506	6.1
265.18091	3.0
285.22131	4.6
303.23157	16.1
321.24249	11.0
339.25385	3.3
393.11560	26.3
393.18832	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	393.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.4
55.01875	3.1
55.05306	2.1
55.05518	24.1
57.07072	10.2
62.69326	2.3
65.03934	3.8
67.05180	2.6
67.05509	34.0
69.03419	3.2
69.06776	2.1
69.07077	20.4
69.37279	14.5
69.37685	4.5
71.04972	3.2
79.05502	35.1
81.06590	3.5
81.07063	66.4
83.04977	5.7
83.08620	6.2
85.06554	5.9
91.05481	66.1
93.07047	79.4
95.04971	57.9
95.08618	59.0
96.52539	2.0
97.06540	13.7
97.10130	2.5
98.68124	2.3
100.87205	2.2
102.87540	2.0
103.05480	5.2
105.04536	3.1
105.07039	100.0
106.07819	2.5
107.08607	53.1
109.06532	13.4
109.09575	2.3
109.10175	23.0
115.05456	6.2
116.06232	2.3
117.07021	22.7
117.13862	2.5
117.32166	2.2
119.06082	2.3
119.08589	97.0
121.06510	29.2
121.10149	45.5
123.08075	6.6
123.11722	12.6
128.06236	13.4
129.07011	20.5
130.07771	6.5
131.08582	50.0
133.06538	4.2
133.10144	57.0
135.08040	8.7
135.11710	23.0
136.04250	2.4
141.06985	5.5
142.07793	21.5
143.08559	36.2
144.09348	13.9
145.10130	69.5
146.07201	2.5
147.08037	3.8
147.11694	24.9
149.09627	5.3
149.13318	5.1
153.06943	2.4
154.07706	4.9
155.00920	2.9
155.08549	14.4
156.09355	12.9
157.10139	59.9
158.10861	8.5
159.08047	4.9
159.11707	50.5
161.09653	21.6
161.13269	9.8
163.11159	5.5
166.07748	3.2
167.08545	7.4
168.09399	6.1
169.02541	2.4
169.10126	22.9
170.10905	7.0
171.11723	30.2
172.12451	3.0
173.09604	6.3
173.13245	20.0
175.11221	13.4
175.14844	18.2
179.08621	6.9
181.10130	10.0
182.10905	5.5
183.11688	22.1
184.12294	2.8
185.13235	11.9
187.11201	7.4
187.14813	11.1
189.12692	3.2
193.10144	7.3
194.10872	3.1
195.11697	14.5
196.12518	4.3
197.13315	15.4
199.11227	3.1
199.14825	7.9
201.12758	4.3
201.16391	10.7
205.09990	3.0
205.15979	2.2
207.11671	5.9
209.13274	12.7
211.14850	9.1
213.16418	7.1
217.15820	4.5
219.17468	4.0
220.09779	2.3
220.12582	2.8
221.13330	4.4
223.14818	8.7
225.16362	6.2
227.14174	2.7
235.14868	6.3
237.16376	5.9
239.14215	2.5
241.15862	2.6
253.15857	7.8
253.19435	4.6
267.20859	3.0
281.19040	3.1
283.20364	2.3
319.20581	2.5
375.26672	4.7
376.26218	3.7
393.28006	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	393.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.0
55.05502	23.5
57.03437	6.5
57.07083	33.8
65.03930	7.4
67.05510	42.4
69.07076	30.2
71.04956	6.1
71.08627	14.5
73.57483	5.1
76.62138	4.9
79.05489	36.5
81.07049	60.0
83.04988	7.1
83.08607	16.0
89.06002	7.3
91.05476	60.6
93.07046	76.5
94.52522	7.0
95.04977	55.3
95.08604	66.2
97.06523	9.9
97.10146	6.2
98.98451	19.7
105.07024	100.0
107.08593	54.2
109.06515	17.6
109.10165	32.3
117.07027	19.7
119.08572	91.1
121.06499	22.5
121.10172	38.1
123.08066	6.3
123.11687	10.7
129.07021	8.5
130.07758	9.3
131.08572	46.2
133.10143	54.3
135.08041	10.2
135.11641	28.3
141.06943	6.6
142.07796	27.3
143.08563	32.5
144.09315	14.7
145.10098	52.9
147.11676	25.5
148.19527	6.3
155.01013	36.8
155.08484	10.3
156.09355	13.0
157.10147	54.6
159.08069	7.1
159.11688	42.0
161.09636	19.7
161.13225	7.9
167.08618	6.4
169.10133	19.3
171.11639	28.5
173.13268	17.8
175.11128	10.2
175.14799	19.3
181.10100	9.7
183.11681	19.7
185.13298	17.0
187.11147	15.3
187.14781	12.6
195.11687	11.3
196.12408	5.7
197.13213	16.4
199.14867	8.4
201.16383	12.0
207.11685	8.4
209.13205	13.9
211.14790	12.2
225.16231	6.5
241.19476	8.3
344.89093	6.4
361.27225	16.7
375.27124	7.0
376.25928	10.6
393.27951	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	393.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63234	0.9
61.15367	1.0
63.81269	1.0
67.05515	1.1
71.53487	1.3
77.81234	0.9
79.05481	1.4
81.07063	1.7
91.05470	1.9
93.07030	1.5
95.08602	1.4
95.75237	1.0
103.77370	1.0
105.07034	1.5
107.08624	1.3
119.08582	1.5
131.08566	1.3
142.69258	1.0
172.08972	1.0
265.42664	1.1
376.25980	2.3
393.26117	100.0
394.26529	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	393.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48117	0.3
55.14153	0.4
57.07083	2.7
58.07419	1.0
58.33588	0.4
60.76362	0.5
67.05505	0.7
69.47893	2.7
77.54881	0.4
78.29410	0.4
80.26398	0.4
93.07041	0.6
95.08604	0.6
98.20770	0.6
117.35180	0.4
168.83287	0.4
175.28474	0.4
228.40858	0.4
272.92850	0.4
277.36536	0.4
277.99472	0.4
284.86996	0.4
308.19781	0.5
309.20053	1.2
375.24811	2.1
376.25909	0.8
393.26129	100.0
394.26477	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	393.2485
Annotation	Turpinionoside C
Peak:m/z	Relative Intensity
51.40715	0.8
55.05513	6.8
57.03436	1.1
57.07076	5.0
59.11295	0.8
67.05507	7.5
69.03426	1.7
69.07077	11.4
70.44489	2.7
71.04981	2.2
71.08634	1.6
79.05495	7.1
81.07063	25.8
83.08627	8.2
85.02919	7.1
85.06554	7.9
91.05492	1.5
93.07057	15.4
95.08615	44.2
97.02898	0.9
97.06528	1.0
97.10175	6.2
99.08080	3.1
105.07021	2.1
107.07881	1.8
107.08605	31.9
109.09473	1.4
109.10167	20.1
111.08069	3.0
111.11698	1.4
112.60976	0.8
113.09661	1.3
121.10152	43.1
123.11682	5.8
125.09612	1.2
127.03901	1.2
135.11702	10.2
137.13269	6.7
139.11174	2.6
146.06029	1.8
149.13292	4.3
151.14783	1.9
165.16393	4.5
177.16400	100.0
178.16763	1.0
178.68071	0.9
183.17456	6.7
190.22226	0.9
195.17465	42.4
195.65991	0.8
213.18520	19.2
231.19559	45.5
287.22433	0.8
365.69958	0.9
405.80380	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2484
Annotation	Sedumoside A3
Peak:m/z	Relative Intensity
55.05499	6.0
57.03433	3.2
67.05490	8.6
69.07055	9.2
70.67748	8.4
71.04964	3.2
71.57128	2.7
79.05473	7.8
81.07065	26.9
83.08622	10.0
85.02907	9.0
85.06535	9.5
91.05486	5.2
93.07053	20.8
95.08610	43.4
95.52687	2.3
97.10168	6.3
99.08090	6.1
107.08607	31.1
109.10157	19.4
111.08114	3.9
121.10154	42.1
123.11714	7.6
135.11690	11.6
137.13290	7.0
139.11136	5.2
144.03200	2.7
145.22859	3.0
146.06093	2.7
165.16356	4.7
177.14824	5.1
177.16389	100.0
183.17484	7.1
195.17474	45.7
213.18472	19.4
215.45662	3.0
216.08832	25.0
225.06435	5.2
231.19560	33.6
237.48642	3.1
240.08791	16.2
272.11264	3.3
300.10876	15.9
301.10522	3.2
393.15182	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	393.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.2
56.96569	30.9
57.03434	4.5
61.02925	5.0
69.03437	10.3
70.06593	4.1
70.98132	4.1
71.04993	2.6
71.95265	1.5
73.02925	3.8
73.06577	1.9
81.03432	6.1
82.99861	1.4
84.08173	1.4
84.96037	6.3
85.02914	18.9
87.04481	1.7
88.99168	1.5
90.05568	2.1
91.03938	1.6
91.05482	6.3
97.02891	12.0
97.06512	1.9
97.96813	1.7
98.96944	2.4
98.97592	50.5
99.04464	2.6
101.00878	17.6
101.02396	2.1
103.02503	2.0
107.04960	2.1
109.02899	3.8
110.01267	2.0
110.97575	10.8
112.01026	1.4
112.99150	3.5
113.00847	8.1
115.00735	1.4
115.02435	5.9
116.07105	2.4
116.98653	15.9
119.01917	23.0
119.04958	7.2
121.06540	1.3
123.04494	1.3
124.99148	3.3
127.00667	1.3
127.02459	2.6
127.03908	9.7
128.00208	1.4
128.98598	13.9
129.00249	1.5
129.04005	1.8
129.05460	1.3
130.06566	1.3
130.08708	2.3
131.00185	4.4
131.01906	20.5
131.05569	9.0
133.01682	2.4
133.03471	6.3
134.99664	3.0
137.00854	4.1
137.05989	3.8
138.01761	1.5
139.03931	1.6
140.98640	2.9
143.00226	8.2
143.01903	43.3
145.01779	3.1
145.03465	8.7
145.04974	2.7
146.01294	4.1
146.99678	11.7
147.01520	1.8
147.03305	2.1
147.04337	17.6
148.04799	3.0
149.01277	4.1
149.02994	2.1
149.06639	11.2
152.98584	3.0
155.00255	1.2
155.00549	1.9
155.01895	25.9
155.03104	1.9
155.04562	2.5
155.05656	2.8
156.02637	3.1
156.98137	5.7
157.01721	2.2
157.03481	8.8
158.99670	14.4
159.01460	1.3
159.03325	2.3
159.05066	5.5
161.01297	4.0
161.02971	45.9
162.03169	1.9
163.02751	3.4
163.04465	1.4
164.02396	2.8
165.00771	4.4
167.05611	2.8
167.06976	1.7
169.07104	2.2
170.99715	5.0
171.05058	4.7
172.97675	1.8
173.01299	5.8
173.03008	21.8
173.06613	29.5
173.07990	2.4
174.99136	18.8
175.02902	2.0
175.04526	5.6
177.00751	11.2
177.04256	2.0
177.06038	4.1
182.99799	1.5
185.03020	4.4
185.06622	40.7
186.04352	2.1
186.99150	2.0
187.02887	2.1
187.04619	2.0
187.08160	7.5
189.00734	5.3
189.04388	5.0
190.98676	3.8
191.02295	4.3
191.07614	7.3
193.00217	16.1
197.06615	3.8
199.04543	2.3
199.08148	4.0
201.00792	3.7
201.06056	2.8
203.02301	2.4
203.04066	12.3
203.07660	20.7
205.00084	6.8
205.03880	2.0
207.05324	1.9
209.06656	1.9
213.04330	1.7
215.07629	10.7
217.05678	1.8
218.98344	3.1
219.01756	16.7
219.03569	3.1
221.05089	24.8
223.01259	6.2
223.05008	2.0
227.07436	4.9
231.01721	2.0
231.07338	1.6
232.99796	3.0
233.08780	3.5
235.01302	1.9
235.06657	4.9
236.07347	2.0
237.02849	17.7
243.08057	3.7
245.05159	4.8
247.01250	2.2
247.06746	1.9
249.02940	2.8
251.00766	3.2
251.04439	4.2
253.07782	4.0
255.03970	1.7
257.05081	3.6
257.08685	6.6
259.06821	2.3
259.63876	1.3
262.05966	3.6
263.06302	6.4
267.09158	1.4
269.05527	11.3
269.08350	2.4
272.99365	2.7
273.08511	2.3
275.09802	40.9
287.06827	1.8
287.09790	4.6
289.07739	2.6
291.00327	3.7
291.03989	2.0
291.07532	2.2
293.05716	2.4
293.10822	70.8
294.06061	2.6
294.11230	1.6
305.01859	12.5
305.10880	4.8
309.08688	5.7
314.41400	1.5
317.05612	2.1
331.12354	2.1
333.01324	11.8
333.10223	2.7
335.06323	2.7
349.13293	2.4
351.05893	2.2
351.10452	4.7
361.06204	2.6
370.07455	1.4
375.11484	15.0
393.12442	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92298	2.1
53.03952	5.1
54.14194	2.2
55.01891	3.0
55.05519	6.1
57.07081	5.8
65.03958	3.5
67.05520	13.5
69.03434	4.2
69.07082	8.5
69.91380	2.1
71.08662	2.4
72.61973	2.0
75.28204	2.0
77.68825	2.1
79.05498	22.5
81.07069	27.0
83.08642	4.8
83.33611	2.3
85.06603	2.2
91.05479	29.8
93.07049	34.5
95.04973	28.0
95.05467	2.6
95.08607	19.7
97.06586	5.0
98.21535	8.4
103.05509	2.9
103.57188	2.0
105.04538	1.9
105.07038	50.0
107.08594	20.6
107.09181	1.8
109.06583	6.3
109.10210	8.4
116.06258	2.7
117.07082	9.4
119.08592	45.1
119.09366	3.1
121.06496	9.8
121.10159	19.1
123.11724	2.5
128.06259	8.1
129.07021	10.9
130.07832	4.8
131.08574	20.8
133.06516	3.8
133.10146	14.6
135.08093	3.7
135.11757	4.3
141.07042	3.6
142.07858	9.4
143.08575	27.6
144.09344	3.9
145.06540	3.0
145.10123	31.2
145.11105	2.1
147.08127	5.5
147.11702	9.8
149.02342	37.2
149.09621	3.3
153.07048	2.4
155.08632	9.8
156.09413	8.1
157.10150	26.6
157.11287	2.0
158.10922	2.8
159.08159	6.5
159.11690	15.1
161.09711	6.4
165.07101	6.1
166.07881	4.9
167.03470	2.6
167.08600	4.7
168.09383	5.5
169.10141	16.9
170.10991	4.9
171.11688	12.7
173.09808	4.8
173.13231	11.7
175.11282	3.3
179.08650	8.6
180.09492	3.1
181.10184	12.6
182.10936	5.9
183.11685	14.6
184.12532	2.4
185.09830	3.1
185.13348	4.7
187.11356	2.3
191.08604	3.1
191.14485	5.7
192.09511	4.2
193.10083	11.5
194.11052	7.0
195.11691	15.1
196.12558	3.8
197.09573	2.4
197.13283	15.3
199.11385	6.4
199.14993	4.5
205.10252	4.9
206.11066	3.9
207.11737	14.6
208.12619	6.0
209.13237	12.3
211.14966	8.5
213.12900	2.9
215.14452	2.8
218.11014	3.3
219.11816	6.7
220.12569	4.1
221.13269	12.2
222.14253	3.2
223.14980	7.2
225.12834	2.6
225.16458	3.4
227.14360	2.6
230.11092	2.5
231.11751	4.7
232.12482	3.8
233.13373	8.2
233.15471	4.7
234.14215	4.5
235.14993	6.7
237.16550	5.6
239.14615	2.1
241.16022	2.9
245.13467	4.3
247.14998	4.8
248.15802	3.3
249.16328	9.9
251.18068	3.1
259.14969	3.5
260.15768	4.0
261.16641	3.4
263.18085	6.0
264.18839	3.1
265.19836	2.7
267.17523	3.7
269.19122	2.8
273.16473	4.8
275.18015	3.2
277.19485	3.1
279.17560	2.8
281.19141	2.6
282.19928	8.6
291.17706	3.3
293.19254	3.2
295.20758	5.8
297.18701	5.1
302.39987	2.3
307.20758	2.6
329.32565	2.4
335.20166	4.8
355.24255	2.5
373.25449	14.2
391.26254	100.0
391.36066	3.5
392.26721	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	391.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12350	0.4
56.83598	0.5
57.07058	1.8
57.61564	0.5
59.61376	0.4
62.46072	0.4
69.07061	0.8
70.06588	4.6
70.69018	0.7
70.69328	0.6
71.06935	0.8
71.08636	0.7
72.08137	1.1
75.94550	0.4
79.05466	0.8
81.07045	0.9
82.75036	0.5
84.08125	0.8
85.10177	0.4
86.09715	0.9
88.07606	1.1
88.97813	0.5
102.09201	0.8
109.10180	0.6
110.73348	0.4
132.10211	1.8
133.10521	0.8
146.11781	1.7
147.00647	0.5
147.12097	0.9
149.02354	5.9
163.14209	0.5
207.50574	0.5
267.28754	0.6
284.29575	0.8
285.29834	2.4
309.14481	0.5
321.16559	1.1
328.32208	1.5
329.32477	10.5
390.35733	1.3
391.24579	100.0
391.36032	30.7
392.24936	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	391.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.6
57.07064	1.6
61.02934	0.5
67.05499	0.7
67.12792	0.4
69.63794	2.7
70.06583	1.5
71.08627	0.8
79.05482	0.7
81.07049	1.4
81.20910	0.4
88.07626	0.8
91.05473	0.5
91.82892	0.4
93.07069	0.6
107.08597	0.5
109.10207	0.6
114.71936	0.4
119.08572	0.5
120.15089	0.4
121.10165	0.4
132.10210	0.8
146.11836	0.6
149.02357	7.6
167.03406	0.8
176.75464	0.4
233.58112	0.5
285.29816	1.3
293.18585	0.4
321.16742	1.0
328.32193	0.4
329.32483	3.6
390.35809	0.7
391.24557	100.0
392.24890	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2329
Annotation	Turpinionoside D
Peak:m/z	Relative Intensity
55.05513	6.3
57.03419	2.6
57.07058	2.4
60.35269	1.5
67.05502	9.4
69.03414	3.8
69.07079	12.2
71.04989	3.9
71.44204	2.2
79.05496	4.9
81.07075	14.7
83.04955	1.8
83.08610	5.6
85.02930	7.1
85.06544	2.3
91.05464	3.9
93.07051	8.5
95.04945	3.7
95.08617	44.1
97.02910	2.6
97.06500	2.7
97.10230	2.7
98.09635	1.3
99.04432	1.7
105.07018	5.7
107.08611	10.9
109.02863	2.2
109.06527	3.3
109.10170	14.3
111.08083	3.7
115.07568	3.1
119.08583	6.7
119.37656	1.3
121.10149	5.4
123.08110	2.7
123.11716	5.0
125.09612	2.8
127.03923	3.0
131.08615	2.2
133.10120	5.4
135.11702	11.3
137.06003	1.7
137.09615	4.0
139.11174	3.9
145.04971	3.0
147.11691	3.0
149.02368	15.2
149.13240	3.9
159.09204	2.6
163.14871	7.7
165.16402	1.6
167.03444	1.6
170.75870	1.4
175.14859	10.4
181.15849	10.2
193.15919	13.9
211.16953	100.0
229.17981	7.9
280.97168	1.3
337.23486	1.6
396.77634	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2328
Annotation	Turpinionoside D
Peak:m/z	Relative Intensity
51.83891	3.0
55.01868	3.2
55.05512	10.1
57.07074	8.1
59.05008	5.4
65.03921	4.1
67.05503	22.3
69.03429	7.2
69.07079	14.4
70.47308	6.8
71.04990	8.7
79.05498	9.0
81.03425	4.8
81.07063	28.4
83.04977	7.7
83.08634	5.9
85.02911	10.9
85.06567	7.6
91.05498	15.1
93.07048	19.1
95.04987	4.3
95.08617	51.2
97.02871	3.1
97.06516	4.2
98.97584	3.3
99.04370	2.2
99.08135	2.5
105.07037	19.1
107.08595	22.4
109.06526	10.0
109.10156	39.2
111.08084	7.7
118.52750	2.5
119.08589	63.7
120.08060	3.5
121.10168	7.9
123.08076	8.3
123.11741	29.8
125.09652	6.6
133.10136	23.4
135.11700	42.1
137.09622	12.5
138.09174	3.3
147.04370	4.3
147.11716	5.6
149.02345	9.7
149.09660	2.9
149.13272	13.5
151.11218	3.9
151.14825	5.4
153.12741	2.8
155.10728	5.0
163.14810	2.6
175.13298	4.2
175.14835	80.1
175.16292	5.1
193.15891	100.0
201.45145	2.3
207.13818	2.7
211.16960	99.6
229.14410	2.6
229.18066	2.8
327.07547	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	391.2326
Annotation	Turpinionoside D
Peak:m/z	Relative Intensity
51.74115	4.6
53.81869	4.0
55.05505	9.4
57.07067	5.2
67.05512	9.1
67.89227	4.6
69.03448	4.2
69.07071	8.8
71.05007	6.2
71.08633	4.2
71.33170	7.2
71.33519	4.0
79.05490	9.7
81.03415	5.6
81.07054	15.3
83.04984	4.4
85.02901	8.5
85.06531	17.2
91.05524	5.2
93.07034	14.0
95.04977	13.2
95.08611	23.2
97.06484	5.2
99.04446	7.2
99.08103	56.0
101.06029	4.4
105.07053	5.8
107.08606	15.5
109.02885	4.9
109.06526	8.1
109.10172	24.3
111.08101	5.9
119.08627	6.2
121.10152	5.6
123.11653	8.6
125.09652	8.6
127.03854	5.2
133.10156	10.5
135.11694	11.0
137.09636	8.2
149.02348	44.2
150.23346	4.3
151.11307	4.2
155.10680	11.2
167.03371	5.6
169.10101	6.1
175.14845	8.0
193.15868	20.5
205.35815	4.3
211.16949	100.0
227.12425	4.2
229.18097	8.5
247.13417	6.3
251.16582	6.1
267.15805	5.1
301.01929	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	391.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.05502	15.0
57.03429	15.7
57.07063	10.6
58.01571	3.8
58.93488	3.2
59.05013	4.8
61.02940	20.5
62.21529	3.4
67.05177	5.3
67.05508	69.3
69.03435	23.3
69.07055	7.4
71.01366	3.5
71.08630	13.4
71.53164	4.3
73.02908	9.6
79.05492	9.5
81.03426	24.2
81.07059	14.8
83.04984	21.1
83.08610	9.6
84.54976	3.3
85.02903	21.7
85.06555	4.3
91.03959	11.1
91.05479	11.2
93.07026	5.5
93.68436	3.5
94.07890	3.4
95.04988	5.3
95.08601	5.1
97.02923	21.1
97.10153	9.4
99.04437	6.6
101.02390	4.2
103.03930	8.3
106.85543	3.8
107.08582	5.2
109.02885	4.9
109.10160	81.8
111.04441	10.2
119.08571	10.0
125.09569	5.3
127.03918	13.5
127.14899	4.0
129.05466	18.0
137.09641	5.9
149.01164	6.1
149.02350	91.2
155.10643	8.5
157.10011	3.6
163.74628	3.9
167.03395	8.1
173.11745	54.8
189.11205	6.7
227.12976	3.4
229.14349	100.0
277.08600	4.6
299.14926	6.4
354.60114	3.9
373.18542	10.3
391.19592	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	391.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81813	1.6
53.03948	8.6
55.05514	8.0
57.03431	4.8
57.07082	8.8
61.02922	2.2
62.08987	1.4
67.05492	5.6
68.99796	2.9
69.03433	45.1
69.07071	31.8
69.16370	4.3
69.16782	10.4
70.06596	1.8
71.05004	11.7
71.08616	2.3
79.05486	4.9
79.12465	1.3
81.03422	49.1
81.07067	9.0
83.04974	2.4
83.08618	13.6
84.08152	2.0
85.02431	2.6
85.02908	33.3
85.06548	3.3
86.77632	1.5
87.00838	13.6
90.05534	1.7
91.05470	2.7
93.07043	6.3
95.04949	3.4
95.08601	6.6
97.02888	7.3
97.06505	1.5
99.04469	17.5
105.01868	3.1
105.07013	4.2
107.08583	4.7
109.02144	2.7
109.02888	43.4
109.10144	6.0
111.08044	2.3
119.08578	3.0
121.10124	3.6
123.11704	3.3
125.09633	4.2
125.13269	3.4
127.03923	100.0
129.01836	2.9
133.10143	3.1
137.05962	4.7
137.09589	2.3
143.14310	4.4
145.05028	2.0
145.10040	1.8
149.02345	24.2
156.08446	2.4
167.03389	4.0
169.06645	1.6
183.16096	1.4
194.12639	2.1
211.16949	8.5
213.04018	9.3
229.14331	2.0
231.05005	36.2
319.22610	1.7
372.11642	1.5
373.14084	2.0
391.14877	3.6
391.19244	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	1.2
55.01865	2.9
55.05505	2.7
56.96301	1.9
56.96568	25.4
57.03436	6.4
57.07080	3.2
59.04990	2.1
61.02919	7.9
69.03139	1.4
69.03436	16.0
69.18005	1.1
70.06593	3.2
70.98125	7.4
71.04979	3.8
71.08628	2.0
71.52058	1.9
72.08157	3.0
73.02916	8.2
73.06522	1.4
78.62263	1.3
79.05505	1.4
81.03403	5.1
81.04511	1.4
83.04958	1.9
83.06113	1.2
84.08156	3.0
84.96020	4.0
85.02438	1.8
85.02914	26.9
86.09704	3.2
87.04459	2.8
88.99163	2.5
89.00845	1.1
91.03938	2.8
91.05479	5.2
93.07037	1.6
95.04939	1.5
95.06093	4.2
97.02903	20.3
97.06547	1.8
98.96934	2.3
98.97586	44.3
99.04457	3.9
101.00879	8.1
109.02887	4.4
110.97564	11.8
112.99157	2.6
113.00865	4.0
113.03493	2.1
113.07134	4.3
115.02418	2.4
116.98627	13.9
117.05458	1.4
119.01918	12.2
119.04968	6.1
121.06512	18.9
122.06021	2.3
122.06834	13.5
124.95479	2.2
124.99140	2.8
127.00684	1.7
127.02419	3.1
127.03898	10.3
128.98599	10.6
130.08646	2.4
131.00179	4.0
131.01886	10.4
133.01549	1.3
133.03474	6.5
134.99678	3.7
136.06119	1.8
137.05922	2.2
138.09160	5.6
139.02393	2.5
139.04045	2.0
139.09482	3.4
140.98550	2.0
142.01735	1.1
142.96542	2.3
143.00160	4.8
143.01891	15.5
144.98068	1.4
145.01730	2.3
145.03456	13.2
145.04958	4.6
146.01294	3.5
146.16376	1.3
146.99657	10.0
147.03160	3.7
147.04404	19.5
148.04741	2.4
149.01212	2.8
149.02357	12.4
154.03824	1.6
154.93298	2.2
155.00096	1.5
155.01894	12.8
155.04678	5.7
156.02663	1.8
156.98093	1.2
157.03452	8.3
158.99680	9.8
159.03145	1.6
159.05058	2.9
160.97569	1.7
161.01198	3.7
161.02957	19.6
162.99130	1.8
163.02736	1.9
164.02335	2.1
165.00700	4.9
167.01942	2.7
168.03505	1.7
169.03481	5.2
170.99635	4.9
171.05020	1.6
171.11301	8.9
172.94383	5.4
172.97598	3.8
173.01260	4.0
173.02969	15.0
174.99162	4.7
175.00774	1.4
175.04549	5.2
177.00734	7.9
177.04112	1.8
177.05540	2.1
182.03340	2.9
182.99576	1.6
183.05095	1.8
185.01414	2.1
185.02789	7.9
186.04497	1.7
186.99103	2.5
187.02885	2.6
187.04475	10.3
188.12820	2.6
188.97121	3.1
189.00696	5.2
189.02327	2.1
189.04221	2.0
189.13124	2.5
190.95424	5.7
190.98650	5.0
191.01997	3.6
191.03903	3.7
191.05652	1.9
192.04726	1.6
193.00092	2.7
194.00351	1.8
196.94331	1.8
197.02931	5.1
199.04482	4.0
201.00679	5.2
201.02470	5.9
201.06117	2.8
202.98615	3.8
203.02306	2.1
203.04012	22.4
204.02803	2.3
204.05420	1.8
205.00201	5.3
205.03926	2.4
207.01781	2.6
207.05188	2.6
209.03008	8.5
211.04552	2.9
211.14398	4.4
213.03392	4.2
213.06070	4.2
214.04033	2.0
214.95435	5.9
214.98631	2.9
215.04036	5.8
217.00261	3.7
217.05621	3.3
219.01738	11.1
219.03569	4.0
219.05278	3.0
220.05901	7.1
220.56787	2.0
220.99783	2.3
221.03244	2.3
221.05083	33.2
223.01219	4.6
227.04044	5.0
227.06581	2.9
228.05704	5.8
228.55875	2.0
229.05650	8.0
229.11880	1.9
229.15524	20.9
230.98187	1.8
231.95665	2.7
232.04999	2.1
232.96431	7.8
232.99721	4.7
237.02837	13.7
239.04105	6.4
240.97067	4.1
243.03508	2.2
244.99706	2.2
245.05101	12.2
247.06799	6.8
248.99196	1.7
249.06229	4.1
251.04442	2.1
255.04294	1.9
257.05063	100.0
257.97168	2.2
258.05188	2.6
258.97931	2.2
259.02988	9.7
259.06549	2.8
261.02451	2.2
261.04849	2.4
262.05997	6.5
263.00620	2.8
263.06171	3.9
265.07642	3.6
269.05426	2.7
270.98077	1.9
272.06433	2.8
272.09946	3.0
274.97665	1.5
275.06204	6.9
275.09091	1.5
277.04138	6.9
277.56110	1.7
281.01730	4.6
287.06116	72.4
287.94656	1.6
288.07327	3.9
289.04355	1.8
293.05493	2.4
294.06122	4.8
295.08810	2.1
305.07117	2.3
307.00113	2.9
309.08600	1.9
311.06357	1.5
319.08780	1.6
323.09833	1.5
328.09027	1.6
331.00247	1.8
331.08792	33.6
332.09540	1.8
349.01120	5.6
349.09885	67.2
350.10214	1.5
367.01968	1.7
372.11447	2.5
391.02194	14.3
391.10361	10.6
391.20847	14.1
409.03378	9.0
409.07877	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	390.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.3
57.03428	1.4
59.04976	1.1
61.02923	1.1
69.03423	1.8
69.07061	3.6
69.47214	3.6
69.47641	3.4
71.04971	2.5
75.68939	0.8
79.05473	2.8
81.03419	2.0
81.07055	9.2
83.04980	1.0
83.08589	1.3
85.02918	6.9
85.03346	1.4
91.05470	3.1
93.07057	5.3
95.04952	2.5
95.08614	12.9
96.05323	0.9
97.02901	2.3
99.08072	3.8
105.07055	7.6
107.08596	8.9
109.02859	1.4
109.10138	3.3
113.09629	2.1
117.06979	1.3
119.08586	51.2
121.10123	2.2
123.11698	3.6
127.03899	1.6
129.16571	1.1
131.08540	1.6
133.10136	80.7
134.10452	1.4
135.11690	19.7
137.05957	3.1
137.09639	1.8
145.04958	2.0
147.11647	2.7
152.11331	1.0
167.07037	1.2
174.06691	1.1
175.07150	1.4
175.14832	100.0
176.15189	1.4
181.04942	2.7
182.05336	1.8
184.06862	1.1
189.09077	1.5
190.09441	2.1
193.15886	23.8
209.15363	1.5
210.15662	2.3
211.16934	50.8
219.10147	4.0
220.10400	4.4
278.08698	1.5
282.12381	1.1
340.12503	2.5
372.15350	4.4
390.16235	3.0
390.21069	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61790	0.9
54.50413	1.0
55.05514	1.7
67.05508	1.7
69.01007	0.9
69.03433	2.7
69.07082	2.7
69.33978	4.2
69.34389	3.2
71.04999	3.0
79.05506	3.1
81.07061	6.5
83.08624	1.2
84.61265	1.0
85.02902	4.6
91.05489	3.3
93.07053	8.8
95.04987	1.1
95.08615	8.1
97.02892	1.3
98.84038	0.9
99.08067	1.5
100.11249	2.1
105.07036	10.1
107.08599	17.1
109.10165	1.5
119.08590	29.8
121.10154	2.2
123.08161	1.4
123.11734	3.9
127.03988	1.1
133.10144	60.8
135.11702	55.3
137.09612	2.8
147.11682	4.1
149.13315	1.1
175.14842	100.0
176.15184	2.4
193.15906	57.6
211.16942	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	389.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.7
59.46224	0.3
60.80814	0.3
67.05486	0.4
69.07066	0.5
71.53384	0.6
79.05502	0.5
81.03423	1.4
81.07036	0.7
84.62266	0.4
85.07751	0.4
91.05503	0.5
93.07046	0.8
94.06021	0.3
95.08628	0.5
97.02882	0.4
97.10148	0.8
107.08640	0.5
113.92000	0.3
118.98455	0.4
122.67345	0.4
125.09682	0.4
146.88696	0.4
189.11296	0.5
253.60980	0.4
296.83426	0.4
314.31396	0.5
349.34286	0.4
385.93246	0.4
387.07767	0.4
389.22986	100.0
390.23474	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	389.2171
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
53.03941	2.7
53.81316	1.9
55.01863	1.9
55.05485	2.1
58.11249	1.9
59.05011	2.1
59.30254	1.9
61.02938	4.3
65.41712	2.1
67.05514	9.8
69.03418	5.5
69.07053	3.2
70.66682	5.6
71.04987	9.0
79.05494	4.0
81.03404	3.8
81.07044	9.6
85.02910	24.5
85.06540	12.7
91.05479	4.6
93.07042	12.1
95.04970	83.7
95.08616	5.5
97.02905	8.3
97.06543	10.0
99.04454	28.5
99.08102	11.9
105.07016	10.1
107.08595	20.0
109.06508	6.1
109.10163	49.5
115.07581	9.9
119.08593	7.5
121.10141	8.4
123.08145	2.8
123.11697	23.0
125.09664	4.3
127.03909	4.5
127.07521	6.6
131.08546	13.0
133.10136	93.6
135.08046	5.6
139.11182	5.7
145.04930	4.0
145.10098	3.0
149.09630	3.5
149.13264	8.4
151.11195	20.9
153.09114	45.7
163.14792	4.1
169.12201	11.9
173.13271	37.4
191.14302	52.7
209.15370	100.0
227.16417	13.7
241.74889	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	389.1596
Annotation	(-)-Simulanol
Peak:m/z	Relative Intensity
53.03931	2.5
54.00139	2.2
55.01878	25.1
55.05519	2.3
57.03422	2.2
65.03934	7.4
67.05517	8.9
69.03426	6.4
69.07065	8.0
71.04996	2.3
71.54057	2.7
79.05498	5.5
81.03420	4.6
81.07052	7.7
81.19811	1.8
82.04213	1.8
82.80846	1.7
83.04965	2.1
83.08614	2.7
84.04558	1.7
85.02910	13.4
85.06554	2.4
86.09716	3.7
91.05447	9.4
93.03451	2.5
93.07043	6.3
95.04976	30.6
95.08584	3.8
97.02904	3.0
97.06542	4.0
98.64707	3.0
99.04460	7.9
103.05472	16.6
105.07018	7.1
107.04968	11.6
107.08598	7.4
109.02891	4.4
109.06514	4.2
109.10174	10.6
110.03671	3.1
110.07187	2.2
111.04435	4.1
111.08066	2.3
115.05459	5.6
115.07551	3.2
117.07034	4.3
119.08567	5.2
121.06532	5.7
121.10169	4.5
122.03638	4.5
123.04453	12.5
123.11702	7.7
125.05992	4.1
128.06258	4.3
129.07005	17.3
131.04938	21.7
131.08569	10.5
133.02962	2.0
133.06474	2.1
133.10161	15.5
135.08043	2.6
135.11656	2.4
137.05984	47.2
139.03929	7.2
139.07536	2.7
141.07002	7.8
143.08568	2.7
145.04947	2.5
145.06485	7.3
146.07332	2.0
149.06001	8.5
149.13287	2.6
151.03918	9.1
151.11179	3.9
153.05490	4.1
153.09109	10.5
155.07069	2.9
155.82529	2.0
157.06480	13.0
158.07312	5.2
159.04440	2.5
159.08080	9.2
160.05252	5.0
161.05994	3.4
163.03908	2.0
163.07518	7.9
167.07045	25.5
169.06497	5.3
171.06544	6.0
172.05115	2.5
173.05984	4.8
173.13258	6.7
174.06787	23.1
175.07544	14.4
177.05482	25.7
181.04973	69.9
183.06548	17.8
186.06834	7.3
187.07520	11.2
188.08350	3.1
189.09102	41.9
191.08653	2.6
191.10652	2.7
191.14236	8.9
201.09093	24.1
206.07390	2.8
207.08061	2.4
209.08095	36.7
209.15367	24.6
217.06541	4.3
217.08591	5.3
218.07314	5.3
219.08090	8.1
219.10149	100.0
227.16418	6.6
231.08081	3.2
232.08722	3.3
233.09639	3.3
234.06783	6.5
235.07518	5.0
235.09645	3.4
246.06807	3.0
247.07562	4.5
248.08401	3.8
249.09111	11.8
251.10712	2.7
260.08328	2.9
261.09177	10.6
262.06351	2.5
263.07147	2.4
265.08545	3.7
275.10843	2.4
277.08643	25.8
278.09369	6.9
279.10208	4.9
289.08566	3.0
290.80273	1.8
291.10159	4.9
293.08188	2.7
293.11633	4.9
294.09216	1.9
295.09711	2.9
307.09546	5.3
308.10281	3.2
309.11185	12.3
311.12912	2.6
321.11127	9.1
329.14050	2.0
339.12305	34.6
340.12723	3.7
341.13776	2.7
353.13809	3.4
357.13644	3.0
371.10477	3.5
371.14902	50.0
389.16083	50.2
389.24084	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	389.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	18.7
55.05516	11.0
57.03443	3.0
65.03935	8.5
67.05504	6.7
69.03423	9.4
69.07073	6.9
71.05015	4.1
79.05499	7.7
81.03411	4.5
81.07064	12.2
82.04211	1.9
83.04987	7.2
83.08615	9.2
85.02920	10.3
85.06555	2.4
87.00845	3.0
91.05486	6.6
93.07034	7.1
95.04973	29.7
95.08608	4.5
97.02901	3.7
97.06535	5.4
98.20709	4.2
99.04456	5.6
103.05470	11.9
105.07002	2.2
107.04955	9.8
107.08594	9.2
109.10149	8.7
110.03689	2.6
115.05438	3.1
117.07014	3.0
119.04973	2.5
119.08592	7.9
121.06480	3.5
121.10151	6.4
122.03661	2.9
123.04463	10.8
123.11712	9.7
123.73221	2.1
125.05929	2.3
125.09624	3.5
127.03943	2.3
128.06233	5.9
129.07018	17.7
131.04941	13.1
131.08583	13.8
133.06509	2.6
133.10139	17.8
135.08072	2.5
137.05994	31.5
137.09598	2.9
139.03854	2.4
141.07001	9.8
141.12807	2.6
144.05678	2.3
145.06497	6.4
145.10161	2.8
149.06004	6.5
151.11205	13.5
153.05507	2.4
153.09146	7.3
155.06091	2.1
157.06511	13.2
158.07271	5.2
159.04372	2.1
159.08092	8.1
160.05211	3.7
161.05893	2.7
163.07533	7.2
165.12773	2.0
167.07071	21.1
167.14336	12.2
169.06473	5.6
170.07304	2.9
171.06560	6.8
173.05942	3.8
173.13342	3.9
174.06789	20.2
175.07544	11.7
175.14830	5.2
177.05466	18.4
181.04984	55.5
183.06526	12.7
186.06776	7.2
187.07553	8.6
188.08411	3.6
189.07222	3.0
189.09114	42.1
191.08562	3.4
191.10605	2.3
191.14330	3.8
193.15863	4.2
201.09164	16.1
209.08109	23.2
209.15364	44.2
211.16933	4.9
217.06561	3.9
217.08672	5.0
218.07304	7.4
219.08195	6.1
219.10158	100.0
221.07954	2.7
227.16435	7.3
227.92175	2.1
231.08034	2.8
231.60403	2.2
233.09715	4.3
234.06766	5.5
235.07582	4.4
241.09715	4.6
246.06754	3.1
247.07542	5.8
248.08385	3.2
249.09102	12.2
250.09740	3.5
261.09064	11.1
263.07184	4.4
265.08597	4.7
269.08401	2.7
277.08658	26.0
278.09372	5.1
279.10153	6.2
283.10745	3.2
286.04080	2.2
289.08862	2.6
290.09390	2.3
291.10101	4.3
293.08514	2.6
293.11722	5.9
306.08942	3.5
307.09738	4.6
308.10547	2.4
309.11224	7.7
321.11273	7.8
329.11246	6.1
339.12317	32.9
340.12827	2.9
341.13910	2.4
357.10815	6.6
371.14969	43.4
389.16043	35.1
389.20645	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	389.1595
Annotation	Renealtin A
Peak:m/z	Relative Intensity
53.03953	8.2
55.01879	4.0
55.05514	10.7
57.03419	1.2
65.03945	2.0
66.20950	0.8
67.05495	3.4
69.03085	1.1
69.03435	20.5
69.07074	1.5
71.05000	5.2
71.08985	1.9
79.05503	6.1
81.03420	9.6
81.07053	5.8
83.04988	47.7
83.08626	1.4
85.02908	5.1
91.05487	10.7
93.07041	7.0
95.04966	10.8
95.08624	1.9
97.02895	18.8
97.06539	2.6
99.04462	29.1
103.05448	1.8
105.07037	8.9
107.04939	2.9
107.08599	11.3
109.02888	32.9
109.06518	4.7
109.10146	3.6
111.04434	2.8
111.08053	1.6
112.70744	0.8
115.05439	3.8
117.07011	3.6
119.08587	10.9
121.02864	0.8
121.06522	7.8
121.10155	1.8
122.07257	1.0
123.04478	4.7
123.08071	3.8
123.11674	1.6
126.43530	0.9
126.51487	0.9
127.03926	25.1
128.06224	6.8
129.07019	11.1
130.07787	1.5
131.04948	1.6
131.08569	10.0
133.06516	4.0
133.10159	4.8
135.04491	1.4
135.08061	65.3
135.11678	1.0
136.07559	1.3
137.06010	5.2
137.09610	2.1
138.06282	0.8
139.07562	1.4
141.06984	10.0
142.07796	15.0
143.08563	20.0
144.05676	1.2
144.09320	3.1
145.04938	1.2
145.06483	5.6
145.10141	3.5
146.07275	1.0
147.04359	1.0
147.08043	8.0
147.11667	2.4
149.06017	2.4
149.09645	10.8
151.07544	2.6
151.11150	1.2
152.06177	1.0
153.07008	15.7
153.09036	1.4
154.03307	0.8
154.04875	1.1
154.07742	2.7
155.08565	11.5
156.09357	25.4
157.06505	5.4
157.10127	15.6
158.07256	9.2
158.10828	0.9
159.08057	17.0
159.11693	9.3
160.08757	1.5
161.05975	1.9
161.09651	3.1
161.13185	1.4
163.07542	4.5
165.06975	8.4
165.09067	1.4
166.07780	12.6
167.07150	1.8
167.08549	5.1
168.09352	11.9
169.06479	8.1
169.10170	3.6
170.07246	2.6
171.08051	22.6
171.11693	17.2
172.08839	13.2
173.06058	1.3
173.09634	17.8
173.13324	4.8
174.06793	1.8
175.07558	8.2
175.11160	3.2
177.05507	1.9
181.04927	2.6
181.06419	1.3
181.10101	13.6
182.07307	2.4
183.06569	1.6
183.08069	4.1
183.11693	15.2
184.08847	17.7
185.09622	25.6
186.10426	7.3
187.07529	2.6
187.11177	16.2
188.08339	1.8
189.09143	5.0
189.12717	2.8
190.07785	0.9
191.06972	2.0
191.10764	1.0
191.14326	3.1
194.07297	3.1
195.08080	2.5
197.06021	7.9
197.09641	3.7
199.11194	81.4
200.08202	1.3
200.11700	1.4
201.09108	2.1
201.12750	5.6
202.09918	1.8
203.06992	1.5
203.10684	33.4
203.12601	1.6
206.79874	0.9
209.08070	1.2
209.09666	16.3
209.15392	4.6
211.07552	3.1
212.08325	25.6
215.10684	79.9
216.11043	1.7
217.12263	13.2
219.08186	1.2
219.10213	1.7
227.07028	6.5
227.10675	95.2
228.10925	1.2
233.11719	13.8
235.13107	1.0
241.09714	1.3
245.11748	100.0
251.06880	1.0
263.12830	15.3
287.10339	1.9
300.09875	1.0
305.11380	2.8
329.11264	0.9
339.12280	1.0
339.61664	0.8
357.10852	3.2
357.94043	1.0
371.15045	7.2
389.15991	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	389.1599
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
53.03942	3.1
55.01874	39.9
55.05524	2.7
57.03412	1.7
65.03938	9.5
66.53306	1.1
67.05513	5.5
67.15963	1.0
69.03417	4.0
69.07076	4.3
71.01344	1.1
71.04989	1.6
74.12676	1.0
78.92619	1.0
79.05498	5.6
81.03412	3.2
81.07051	4.9
82.04224	2.8
83.05000	1.6
83.08615	1.8
83.12868	1.1
85.02920	9.1
85.06554	1.3
91.05483	5.1
93.03416	2.0
93.07036	5.1
94.04192	1.7
95.04972	4.4
95.08629	3.3
97.02915	2.0
97.06541	4.2
99.04497	2.9
99.08001	1.3
103.05474	16.9
105.07030	5.3
107.04961	9.8
107.08598	4.1
108.02092	1.5
109.02885	1.6
110.03667	4.1
111.04462	2.9
115.05481	2.7
117.07015	2.2
119.08551	2.8
121.06534	4.0
121.10125	2.6
122.03632	4.6
123.04422	9.7
125.05964	2.2
127.03859	1.6
128.06245	2.3
129.06993	9.4
131.04941	18.6
131.08546	2.4
133.06537	1.8
133.10147	2.6
134.10524	1.8
135.04413	1.5
135.08113	1.6
137.02431	1.2
137.05989	41.9
138.03123	2.8
139.03897	4.3
140.04694	1.1
141.07036	2.1
142.02614	4.3
144.05710	1.8
145.06477	4.4
145.10211	1.3
147.04404	2.5
149.05989	13.6
149.13275	1.6
151.03920	5.8
153.05502	6.1
155.07063	1.5
157.06479	8.6
159.04362	2.2
160.05261	3.3
161.05977	2.9
163.03914	1.2
163.07542	9.2
165.05492	1.4
167.07066	28.8
171.06575	5.4
171.35118	1.1
173.06049	2.3
173.13280	1.5
174.06767	4.3
175.07567	15.5
177.05487	41.6
177.09128	1.4
181.04973	100.0
183.06557	3.1
185.06110	1.3
186.06749	1.4
187.07532	3.9
188.08391	1.9
189.09096	12.5
191.07054	2.2
191.14319	1.6
192.14598	1.4
193.08575	4.3
195.76205	1.1
201.09177	2.0
203.08592	1.4
205.08635	3.0
209.08102	61.3
209.15436	1.4
210.08424	2.1
215.10378	1.4
217.08568	7.0
219.10251	3.3
221.08075	1.5
227.16429	2.2
233.09537	2.1
234.06784	2.1
235.09648	4.2
237.11241	3.5
246.06851	1.3
247.07518	1.6
249.09114	4.2
261.09186	3.1
266.09323	1.3
277.08530	7.4
278.09512	1.7
279.10059	1.8
289.08582	1.6
293.11786	2.7
309.11319	4.3
311.12741	1.3
321.11160	3.4
325.10712	1.7
339.12259	10.6
340.13043	1.4
341.13968	3.3
353.13797	2.3
359.14816	1.4
371.14966	15.8
389.15976	71.9
390.16617	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1596
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
52.45980	1.3
53.03946	2.6
53.13356	1.2
55.01875	39.0
55.71703	1.3
57.03437	1.9
60.84954	1.1
65.03933	7.3
67.05503	6.3
69.03429	4.0
69.07050	3.3
71.54495	1.3
79.05491	4.7
81.03404	1.9
81.07047	4.7
82.04220	1.5
83.04961	1.3
85.02917	10.2
85.06577	1.5
89.57784	1.3
91.05474	3.5
93.03419	2.0
93.07040	4.7
95.04984	4.5
95.08604	3.7
96.37154	1.2
97.02881	2.3
97.06550	3.0
99.04438	2.0
99.08087	1.4
101.07952	1.2
103.05486	15.3
105.03328	1.1
105.07041	3.4
107.04964	6.7
107.08573	2.7
108.02123	2.7
109.02888	1.8
109.06525	2.1
109.10151	3.4
110.03651	2.7
115.05481	2.6
117.07004	3.7
117.96094	1.3
119.08634	2.7
120.25587	1.2
121.06511	5.3
121.10142	2.2
122.03664	2.7
123.04441	10.5
123.11708	2.9
124.05225	1.5
125.05991	3.6
125.20440	1.3
127.03943	2.2
128.06233	1.7
129.07014	10.8
131.04930	21.1
133.06496	1.8
133.10112	1.6
135.08081	1.5
137.05984	34.6
138.03163	1.8
139.03886	2.9
142.02623	3.3
145.06508	3.7
147.04401	2.9
149.05989	13.2
151.03969	3.4
152.04713	1.5
153.05495	3.7
157.06503	7.0
159.04396	1.5
160.05212	4.9
160.83687	1.2
161.06017	4.0
162.06918	1.7
163.03958	2.0
163.07549	7.2
167.07072	19.2
171.06569	4.3
173.05954	1.5
174.06789	3.4
175.07564	12.4
177.05490	35.8
181.04967	100.0
183.06610	2.3
187.07570	3.2
189.09142	10.8
191.06996	3.5
193.08626	3.2
199.07741	2.0
201.09138	1.7
205.08577	2.5
209.08105	53.7
209.15491	2.6
209.19086	2.0
217.08549	6.6
219.08104	2.0
219.10168	5.8
221.08083	1.6
227.16516	2.2
227.19978	1.7
234.06862	3.4
235.07538	1.6
235.09717	3.1
249.09094	4.0
261.08987	2.9
263.06827	1.6
266.38959	1.4
267.06689	1.2
277.08621	7.0
278.09467	1.4
281.11951	1.5
293.11710	1.6
309.11215	1.9
321.11313	3.3
329.13934	1.6
335.45901	1.2
339.12488	10.1
340.12747	1.3
341.13809	2.2
345.13828	1.4
353.13870	1.5
359.14880	2.0
371.14999	16.0
389.15997	71.6
390.15866	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1598
Annotation	Renealtin B
Peak:m/z	Relative Intensity
53.03959	1.3
55.01882	5.6
55.05508	3.5
57.03428	2.5
57.41692	0.9
63.75922	0.8
67.05515	4.9
67.95267	0.8
68.99787	1.8
69.03438	3.3
69.07081	2.5
70.06577	0.8
71.04981	2.5
71.53863	1.4
77.03939	0.9
79.05486	3.2
81.03422	4.1
81.07053	7.9
83.04980	2.2
83.08623	1.3
85.02908	10.0
85.06561	1.3
91.05464	4.3
93.07029	2.9
95.04970	6.0
95.08608	6.4
97.02896	2.9
97.06516	4.3
97.10235	0.8
99.04461	1.9
99.08084	1.8
103.05457	2.2
105.07033	2.5
107.04962	2.5
107.08606	2.4
109.02884	5.4
109.06548	1.0
109.10146	2.6
115.05419	1.4
119.04949	8.5
119.08562	1.4
121.06538	1.1
121.10148	2.1
123.04437	100.0
123.11732	1.5
125.09610	1.2
127.03925	4.5
129.07051	1.7
131.04944	3.7
131.08565	1.4
133.06561	1.2
135.04420	1.3
135.11713	1.6
137.02328	1.6
137.05992	3.9
139.03909	27.6
141.01784	1.1
143.04910	3.6
145.06537	1.0
145.10138	1.0
147.04422	30.8
147.11609	1.0
149.05991	1.6
149.09578	0.9
149.13213	1.3
151.03914	46.9
151.07582	1.7
153.05479	1.3
157.06598	1.0
158.02693	1.4
161.05988	11.1
163.03946	6.1
163.07552	2.1
165.04149	1.8
165.05492	21.2
167.07021	1.9
168.25861	0.9
169.04997	2.3
173.05995	17.3
173.09572	1.0
175.07605	1.3
176.04723	2.4
177.05473	16.2
177.06874	1.2
177.09111	0.9
178.06158	1.2
179.03410	1.0
179.07043	4.9
181.05014	5.9
181.08612	4.2
189.03961	1.7
189.05438	4.1
189.09167	1.1
189.77831	0.9
191.07069	5.7
191.10558	0.9
191.14334	1.0
191.17912	2.1
193.04938	3.3
193.08618	51.4
194.08829	1.0
203.07100	1.1
205.08614	3.5
207.06535	12.3
209.18982	1.7
217.08536	1.1
219.06403	1.0
219.10152	18.8
223.09581	2.7
227.10722	0.9
227.16435	1.2
227.20061	2.1
231.10202	1.1
237.11255	11.1
239.07097	1.4
249.07513	1.4
249.11293	3.2
273.07809	1.1
273.12573	1.2
285.07690	4.7
291.08554	6.9
294.91336	0.9
300.09839	0.9
303.08722	7.5
311.09171	2.0
327.12326	6.3
329.10205	17.6
329.13882	1.4
345.13358	30.7
353.13898	5.9
365.61938	0.8
371.14944	18.6
371.24207	1.3
389.15991	20.8
389.23981	1.9
403.72940	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.7
55.01879	1.1
55.05508	1.2
57.03434	1.6
60.86670	0.7
61.02934	0.9
61.25219	0.8
65.03937	1.8
67.05492	1.4
69.03429	3.1
69.07041	1.1
70.06588	2.6
71.04971	0.8
71.52634	1.2
72.08177	4.4
73.02923	1.8
79.05510	1.4
81.03413	2.7
81.07062	2.3
84.04517	0.9
84.08153	1.7
85.02917	9.7
85.06537	1.3
86.09724	5.0
91.05477	3.2
93.07056	2.1
95.01328	2.3
95.04971	3.6
95.08615	2.9
97.02893	3.1
97.06540	1.2
98.97591	1.0
99.04460	0.9
105.07047	1.6
107.04960	1.4
107.08592	2.2
109.02902	1.5
109.06506	1.5
109.10133	1.1
111.04449	1.6
111.08087	1.5
113.02366	1.2
115.07634	1.2
119.04916	2.6
119.08618	1.1
120.05436	0.9
121.02880	100.0
121.10138	2.1
122.06024	0.9
123.08093	4.5
124.07569	1.3
125.09659	0.8
127.03929	2.2
129.10193	0.9
130.04973	1.1
130.06516	2.3
131.04959	1.7
131.08578	0.9
133.10052	1.0
135.11700	0.9
137.06027	2.2
138.05487	1.5
139.03931	1.8
141.01817	3.4
141.05452	3.7
145.05009	1.7
145.10132	1.0
147.04411	7.7
148.04745	4.7
149.09615	0.9
153.09161	2.1
155.07048	1.2
160.83600	0.9
163.07565	1.0
167.07036	2.5
168.07475	1.0
170.09676	1.4
173.13242	1.0
177.05435	1.3
179.14299	2.9
181.05003	1.7
186.97076	0.8
191.14313	2.5
195.06602	4.4
195.08295	0.7
195.08766	0.7
197.15337	1.5
198.09175	3.5
209.15404	3.3
213.07584	9.1
227.09119	0.9
227.16618	1.6
257.09097	1.1
327.09210	0.9
345.15002	1.3
389.09344	1.2
389.13718	4.2
389.18188	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	388.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02629	2.3
53.03949	2.2
55.05521	4.9
57.03441	4.6
59.96759	2.7
67.05502	7.0
68.81244	2.5
69.03078	3.5
69.03435	42.3
69.07068	8.4
70.06597	5.2
71.04999	2.9
71.53711	3.0
76.24509	2.4
79.05498	6.6
81.03410	3.5
81.07059	9.3
81.97034	2.3
83.04986	7.4
84.77997	2.3
85.02914	11.6
85.06523	3.0
86.09719	8.2
88.79229	2.2
91.05479	7.9
91.33224	2.6
93.07050	10.4
95.04991	4.1
95.08617	9.2
97.02895	5.4
97.06538	4.8
103.05473	2.9
105.01894	2.3
105.07048	7.5
107.05009	2.3
107.08613	23.3
109.02839	3.4
109.06532	4.7
109.10189	5.2
111.08094	2.9
117.07021	4.4
119.08569	12.6
121.06484	6.1
121.10180	17.3
123.04436	2.4
123.08076	4.7
123.11726	8.1
125.09629	13.8
127.03925	6.2
131.08575	17.5
133.10143	10.4
135.08081	12.2
135.11684	6.6
137.06000	2.9
137.50185	2.6
138.06331	3.8
139.03926	3.9
139.11310	2.2
143.08594	5.8
145.10139	9.1
147.11691	9.7
149.09628	8.8
149.13354	3.8
153.09103	9.8
158.10895	6.8
163.11229	3.6
163.14838	6.2
165.12743	3.7
167.07045	6.6
173.13275	36.3
177.05545	3.6
181.05016	4.2
191.14333	76.3
209.08020	2.7
209.15387	100.0
209.17386	5.5
219.10049	5.8
311.68405	2.9
388.19858	4.4
389.16220	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	388.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.5
55.05502	3.7
57.03429	1.8
57.07076	2.2
63.50106	1.6
67.05507	4.2
69.03434	41.8
69.07058	6.7
69.27956	15.9
70.06603	8.5
79.05495	5.0
81.07058	7.4
83.04973	5.5
84.04488	1.9
84.08158	2.4
85.02915	11.2
85.06538	4.3
86.09718	7.6
91.05481	7.6
93.07069	8.6
94.48964	1.6
95.04998	4.3
95.08604	10.4
97.02912	2.9
97.06548	5.2
105.07022	8.7
107.04958	2.3
107.08622	19.6
109.02817	2.0
109.06538	5.8
109.10171	6.7
111.08108	2.5
119.08595	7.8
121.06474	4.2
121.10162	12.8
123.04489	2.0
123.08083	3.0
123.11714	6.2
125.09642	19.7
127.03954	3.4
131.08589	17.3
133.10150	8.3
135.08051	8.7
135.11710	6.3
137.06010	3.0
139.03900	7.0
140.04253	3.3
143.08543	3.5
145.10097	7.6
147.11699	7.9
149.09630	5.0
149.13263	5.9
151.11124	2.0
153.09122	5.8
158.10921	6.3
163.14819	7.6
165.12758	2.8
167.07076	3.7
168.07372	2.9
173.13258	27.3
181.05090	2.4
191.14328	73.0
209.15382	100.0
283.05948	2.0
286.85330	2.4
370.19092	2.6
388.14539	5.8
388.20386	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	388.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96913	0.4
65.03929	0.8
70.06591	0.8
70.45803	1.2
81.03431	0.5
81.07061	0.6
85.02901	0.5
86.09723	0.8
89.06063	0.6
91.04913	0.5
91.05487	9.8
93.07050	0.5
96.05650	0.4
117.03403	0.4
119.04947	22.5
119.08604	0.4
123.04391	0.5
133.08585	0.5
140.85645	0.4
140.86722	0.5
145.02872	1.6
146.03162	1.0
147.04417	100.0
148.04744	0.5
162.71790	0.3
177.05467	1.7
178.05818	2.3
210.11319	0.4
285.61389	0.4
370.20773	0.4
388.16620	1.2
388.22696	2.9
391.08945	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10439	0.5
56.29277	0.5
65.03934	1.1
70.06554	0.7
70.77980	1.0
88.70664	0.5
91.04980	0.8
91.05492	11.4
94.06582	2.1
96.47065	0.5
119.04948	24.9
120.04469	0.7
122.06039	5.3
133.84502	0.5
147.04417	100.0
158.91571	0.5
167.07133	1.4
168.07487	1.0
254.13901	0.6
300.52322	0.5
313.89166	0.6
342.15448	0.7
388.12781	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2015
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.02385	1.0
53.03949	3.2
55.01867	3.1
55.05502	5.6
57.03439	6.8
57.07075	1.7
61.02933	6.8
67.05495	2.8
69.03439	15.1
69.07071	4.1
69.74895	6.1
70.06586	1.1
71.04989	3.3
73.02921	1.9
73.35319	1.1
79.05497	7.5
81.03431	6.0
81.07072	10.6
83.04974	1.5
83.08616	1.4
85.02909	38.0
85.06547	2.2
87.04485	2.1
91.03947	1.9
91.05488	11.8
93.07055	12.7
95.04979	3.6
95.08628	6.7
97.02892	13.7
97.06526	3.0
98.21526	1.6
99.04470	3.9
101.02425	1.4
103.05450	1.3
105.07042	53.9
107.04983	2.1
107.08609	11.7
109.02892	4.6
109.06516	4.7
109.10177	4.7
117.07024	3.4
119.08593	41.8
121.06519	5.7
121.10134	7.7
123.08062	19.6
125.06001	1.4
127.03919	9.4
131.08557	2.9
133.06412	1.5
133.10120	7.5
135.04410	1.5
135.08057	12.9
135.11688	2.1
137.05980	9.9
137.09636	2.8
139.03932	5.7
145.04951	7.9
145.10121	3.2
147.08017	2.3
147.11699	84.4
148.12047	1.4
149.09642	9.2
151.03958	2.9
151.07550	11.6
151.11200	6.7
151.54956	1.2
159.11710	1.8
161.06000	2.5
161.13290	2.7
163.03931	2.2
163.11229	12.9
165.12776	65.6
167.07065	3.8
177.05505	3.2
177.12772	4.1
179.14351	2.4
181.04951	2.4
181.12233	6.4
189.12755	5.6
207.13823	100.0
209.15324	1.4
219.10193	3.7
225.14859	25.8
369.19040	1.3
387.14456	6.9
387.20035	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	387.2013
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
69.03416	4.4
69.61726	8.2
75.87814	1.4
79.05491	2.8
81.07047	5.2
83.04988	5.0
85.02903	12.1
85.06561	2.6
91.05489	3.9
93.07047	4.0
95.04948	2.5
95.08618	13.9
96.36831	1.6
97.02882	2.4
105.07069	10.4
107.08588	6.4
109.02878	1.9
109.06524	3.5
109.10115	1.9
119.04928	2.1
119.08604	9.5
121.06522	1.6
121.10127	8.8
123.08074	27.6
123.11714	3.5
125.62064	1.8
131.08589	3.0
133.06502	3.7
133.10138	4.6
135.08020	2.7
137.05988	14.9
137.09637	2.9
139.03871	2.4
143.08577	2.7
145.04970	2.4
145.10075	4.3
147.08075	2.1
147.11682	5.6
149.09637	24.5
151.03860	4.0
151.07541	18.4
156.09340	3.8
161.09657	2.4
161.13260	12.5
163.03929	2.6
163.11197	2.0
165.12775	7.9
167.07120	2.9
171.11688	5.4
174.10420	3.2
179.14377	3.6
181.04964	2.2
189.12743	45.2
207.13809	100.0
219.10176	3.7
225.14871	33.6
225.17012	1.2
238.30699	1.7
307.98065	1.5
387.14246	9.2
387.19504	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
61.44890	1.4
61.95332	1.4
70.06596	3.7
71.52345	1.7
81.03460	1.9
83.08598	1.5
85.02905	4.2
86.09721	1.7
91.05486	5.6
95.04978	1.6
97.02945	2.0
103.05446	1.6
107.04950	2.3
117.03405	2.0
119.04958	5.5
123.04407	3.6
139.07376	2.9
145.02864	6.1
147.04407	21.8
149.06053	1.7
153.07043	2.2
158.57538	1.6
163.03961	1.8
165.07043	4.9
167.03368	2.1
167.07056	32.3
167.08586	19.2
177.05476	11.8
177.07007	8.3
178.07782	11.1
179.08598	4.9
181.06477	3.2
191.08553	31.8
193.08646	2.6
193.10175	8.8
194.07422	3.6
194.09581	2.8
195.08075	19.3
197.09689	2.1
199.07524	2.6
201.07111	2.1
202.07806	3.8
203.08537	7.2
205.06346	2.1
207.08098	5.5
207.09877	1.8
207.13800	2.7
208.08913	4.5
208.11116	2.2
209.09697	5.4
211.09547	1.4
212.08984	1.5
212.10728	8.9
217.08806	1.6
218.07204	1.6
219.08075	45.0
219.10144	3.3
220.08713	1.8
221.09708	15.7
223.07518	12.8
225.09174	8.6
225.14912	2.8
227.07047	2.9
229.07675	4.1
235.09930	1.9
236.10725	64.4
237.09099	3.7
238.12285	51.4
240.10178	43.0
241.08624	3.1
247.07512	5.5
249.09190	1.7
253.13371	93.1
254.11708	23.0
264.10239	6.5
265.08618	21.9
267.10336	2.6
269.07990	9.3
278.11801	6.0
280.13358	5.3
282.11267	84.5
283.11707	1.7
284.12833	13.2
286.10837	3.8
293.08060	2.2
295.14322	12.1
299.13916	82.9
300.12222	3.3
301.12708	2.6
311.09158	4.5
324.12323	22.9
324.15701	2.6
325.12180	1.8
326.13882	2.5
328.11844	25.6
341.14975	100.0
343.13910	14.2
345.14459	34.7
351.42731	1.5
352.11816	5.0
370.12875	27.4
385.49976	1.7
387.12482	36.0
387.16058	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	387.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.4
69.37154	9.0
70.06586	2.2
72.08128	1.2
81.07047	1.6
81.36478	1.0
84.08142	1.7
85.02876	3.1
89.03881	1.6
91.05463	2.6
95.04976	2.1
95.73006	1.1
97.02923	1.5
105.07041	1.7
107.04940	1.7
117.03359	3.7
119.04939	4.2
123.04436	2.1
127.03860	1.7
145.02864	7.0
147.04419	18.5
149.05989	3.9
165.07002	3.4
167.07030	29.3
167.08546	11.0
171.08139	1.2
177.05457	16.1
177.07004	3.8
177.86324	1.4
178.07751	3.9
179.08554	3.2
181.06490	1.3
181.10109	1.1
190.07764	1.4
191.08577	25.1
193.06540	1.4
193.08583	1.7
193.10132	4.5
194.07320	1.5
194.09650	1.2
195.08075	10.0
202.07747	1.7
203.08539	4.6
205.06416	2.3
207.08090	3.1
207.13809	2.1
208.08830	3.4
209.09662	5.3
211.09705	2.2
212.10654	3.2
216.77385	1.1
217.08749	1.5
218.07367	1.6
218.09639	2.4
219.08063	34.3
220.08682	1.4
221.09647	8.3
223.07529	7.2
224.10574	1.3
225.09068	2.7
225.12483	2.0
225.14771	1.5
229.07564	2.4
235.09837	1.1
236.10699	30.9
237.09018	2.0
238.10117	1.9
238.12296	18.9
240.10213	20.6
247.07509	2.7
251.06999	1.7
253.13370	77.7
254.11723	13.1
254.14066	1.3
264.10165	4.1
265.08499	7.2
267.10101	1.4
269.08047	3.3
278.11884	1.3
282.11246	36.8
282.14365	2.2
284.12979	1.3
286.10721	1.5
295.14420	17.6
299.13913	59.9
300.12277	1.9
301.12442	1.4
311.08987	2.6
324.12167	4.8
328.11804	11.1
341.14978	100.0
342.13406	4.8
343.13828	6.4
345.14465	24.3
369.13907	1.7
370.12592	3.2
387.12228	16.0
387.15802	20.1
414.23880	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98165	0.7
55.05505	1.2
64.70446	0.7
67.05492	1.3
69.03428	1.6
70.06593	17.7
70.48951	2.1
71.06930	5.5
75.72796	0.8
76.05112	2.0
79.05495	1.8
81.03403	2.0
81.07061	1.9
81.27653	0.7
83.04974	2.1
85.02911	2.1
85.06545	1.1
89.03919	9.3
91.05449	1.6
93.07051	1.9
95.04942	2.0
95.08607	4.7
96.05605	0.9
105.07043	1.1
107.04984	1.1
107.08591	1.7
109.06561	1.1
109.10143	1.0
110.07151	0.9
117.03382	22.1
119.08575	1.5
121.06496	1.1
123.04424	2.4
123.08147	1.4
133.10150	1.8
134.03642	2.6
135.04382	1.8
137.09641	1.0
145.02852	49.5
147.04465	1.8
147.11659	1.0
148.04715	1.1
149.05963	9.1
149.09593	3.0
160.07211	1.2
163.03911	1.3
163.11183	1.4
163.29547	0.8
167.07066	1.7
177.05475	100.0
178.05838	5.4
185.12115	0.8
189.12752	1.6
195.13834	1.1
207.13808	7.7
225.14793	1.1
235.11676	1.0
330.10480	1.3
369.19949	1.3
387.11768	1.4
387.16217	21.8
387.22324	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	386.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60713	11.9
55.05500	28.0
67.05487	49.7
69.07075	25.8
69.96989	58.2
79.05496	68.8
81.07051	55.8
91.05475	59.2
93.07066	84.5
95.08607	36.5
101.58847	12.3
105.07046	84.4
105.18340	12.4
107.08566	46.9
119.08591	62.5
121.10139	49.2
131.08568	13.8
132.71303	11.9
133.10127	55.8
135.11690	41.6
143.08601	14.9
147.11684	38.6
149.13223	15.2
159.11681	22.4
161.13269	25.2
171.11688	22.8
175.14876	16.4
241.19571	37.1
259.20569	100.0
294.21512	32.8
351.25278	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72183	23.4
55.05513	46.7
67.05503	58.2
69.07053	32.9
79.05479	98.7
81.07047	100.0
88.36685	24.7
91.05474	64.7
93.07021	81.1
95.08636	42.2
105.07046	60.1
107.08573	35.0
119.08630	53.4
121.10148	78.6
129.61687	27.0
133.10130	67.5
135.11623	41.5
143.16043	25.0
147.11691	54.4
161.13261	31.0
199.14719	31.6
241.19440	38.9
259.20560	71.8
351.25354	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	386.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09800	8.9
55.01877	12.6
55.05506	35.1
57.03434	23.7
67.05512	92.0
69.07076	36.0
71.08675	10.6
71.53371	13.7
74.45994	10.7
79.05483	76.4
80.99695	10.9
81.07069	100.0
82.07395	16.6
83.04984	10.4
83.08603	20.2
85.06528	12.2
91.05482	64.4
91.90910	9.0
92.05802	18.5
93.07066	91.3
94.07400	10.1
95.04979	15.7
95.08617	50.3
96.08910	12.4
97.06507	17.1
105.07032	37.7
106.07395	12.1
107.08624	64.7
109.10185	44.7
110.10517	18.4
117.07085	13.2
119.08585	44.2
121.10160	42.4
123.11723	12.5
131.08624	22.0
131.28813	10.9
133.10136	68.7
134.10504	21.1
135.11713	34.1
137.09702	12.0
145.10167	14.9
147.11716	33.5
148.12018	13.7
151.11206	28.0
152.11533	21.0
152.16656	10.9
159.11658	14.4
175.11195	13.4
187.14955	13.0
212.13605	14.9
219.37006	11.3
241.19467	14.0
259.20572	39.8
276.20432	24.2
277.21600	22.1
286.17361	12.4
326.21619	11.3
350.23932	12.0
351.25345	36.8
368.25040	21.2
386.26364	27.7
405.75342	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	386.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	5.7
57.03427	1.1
57.06828	0.8
57.07080	10.7
59.04974	0.7
61.02914	1.9
65.96384	0.6
69.03434	3.8
69.49411	2.9
69.49818	1.2
70.06584	0.6
70.38774	0.6
73.02926	0.7
73.06552	1.1
79.05482	2.3
81.03419	1.9
83.08603	2.3
83.29850	0.6
85.02444	0.8
85.02912	12.0
86.09687	0.6
89.06037	57.5
91.03935	0.8
91.05434	0.7
95.08589	1.0
97.02882	4.0
101.09148	0.7
101.09678	8.1
103.05482	4.4
105.07014	0.8
105.27163	0.6
107.04935	2.4
107.07053	1.8
107.08520	0.8
109.02894	0.9
127.03896	1.9
131.04910	2.4
133.08618	16.3
139.03902	1.8
145.04936	1.8
145.12247	8.4
151.09673	21.9
165.12794	1.0
167.07085	0.8
176.14331	6.0
207.15929	100.0
224.06845	0.7
241.95740	0.7
324.19608	15.2
386.12387	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
55.05506	3.6
57.03428	1.7
59.05008	4.2
61.02935	1.1
67.05505	3.9
69.03438	2.5
69.07069	1.5
70.06597	0.9
71.04993	3.3
71.52684	1.0
79.05492	4.1
81.03452	1.4
81.07062	3.7
83.04985	2.7
85.02909	2.7
87.04482	0.9
91.05478	10.6
93.07043	5.3
95.04973	2.8
95.08619	3.9
97.02935	1.3
97.06557	1.9
97.10142	1.3
103.05480	0.8
105.07037	21.3
107.04951	1.2
107.08594	11.8
109.02896	1.4
109.06526	3.4
109.10186	1.5
111.04417	1.4
111.08125	1.0
115.05464	1.4
116.06208	0.9
117.07025	2.8
119.08586	26.2
121.06505	1.3
121.10144	10.8
123.04483	1.8
123.08082	4.0
123.11753	1.0
125.09682	1.3
128.06226	2.3
129.07039	3.8
130.07822	1.6
131.08566	13.9
133.10132	8.3
135.08060	27.9
135.11687	4.6
137.05992	6.4
137.09662	1.9
138.61002	0.8
139.03931	1.3
141.06984	1.6
142.07767	1.3
143.08559	12.8
145.06522	1.0
145.10130	9.8
146.10957	1.1
147.08051	21.0
147.10529	1.4
147.11693	21.9
149.09651	8.9
156.09355	23.0
159.08038	1.8
159.11661	3.0
161.09650	1.9
161.13257	8.1
163.11244	1.6
165.09116	3.1
165.12787	2.9
167.07053	1.7
171.11696	47.1
174.10443	1.5
181.05006	1.7
189.09148	1.8
189.12764	32.1
191.07025	1.3
207.13814	100.0
208.14136	1.8
219.10153	1.0
271.95395	0.9
273.30249	0.8
281.99265	0.9
328.54770	0.8
330.25464	0.9
331.92206	0.8
357.13419	1.1
386.13376	1.0
387.14343	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	386.16
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
53.03952	0.4
54.03463	0.9
58.06604	0.5
70.06598	100.0
71.03900	1.0
79.05505	0.7
81.07079	0.6
83.06556	0.4
87.80859	0.5
91.05476	1.0
93.07066	0.6
95.04967	0.6
103.05500	0.8
107.04988	1.0
119.04959	1.9
121.06513	1.7
123.04446	10.7
123.18712	0.4
124.92621	0.5
131.04938	0.8
135.04428	1.8
147.04431	7.0
149.05986	6.2
153.05536	0.5
159.04474	1.2
161.06058	0.7
165.05489	3.6
175.07562	0.7
177.05478	57.6
178.05807	0.8
183.36060	0.4
207.06531	1.0
234.11284	3.3
258.82306	0.4
266.25287	0.4
329.10226	9.5
386.16003	55.3
387.16196	1.5
387.21338	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51522	5.4
55.01876	15.4
55.05518	49.4
57.03441	21.5
57.07074	9.9
59.93250	5.5
63.50524	6.9
66.97233	6.8
67.05511	100.0
69.03421	8.6
69.07082	30.7
71.08630	8.3
71.53837	6.6
79.05499	58.6
81.03436	18.2
81.07063	99.3
82.42254	5.1
83.04984	27.1
83.08630	18.1
85.06548	13.5
86.84456	4.9
91.05489	85.7
93.07045	56.0
95.04982	48.7
95.08611	52.5
97.06545	17.2
97.10200	7.3
99.08108	9.5
105.07044	69.7
107.04939	10.1
107.08600	67.3
109.06521	14.3
109.10164	51.4
111.08099	12.9
113.09700	8.2
117.07040	16.0
119.08569	35.7
121.06536	10.8
121.10158	17.0
123.04449	6.4
123.08096	9.7
123.11749	15.1
125.09636	10.5
129.07022	11.5
131.08586	21.4
133.06580	5.5
133.10141	93.2
135.08035	8.4
135.11716	18.9
137.09628	17.2
137.57220	6.0
145.10149	10.2
147.11691	22.9
149.09653	17.5
151.11191	55.8
157.10152	12.7
159.11800	9.0
161.09695	6.3
161.13309	6.0
163.11229	9.0
163.14882	7.2
165.12779	18.1
169.12192	10.8
171.11696	9.3
175.11232	6.6
177.12807	8.1
193.12267	16.2
211.13275	29.7
247.20496	11.7
253.14384	17.2
257.19012	7.5
265.21564	8.0
267.15762	8.3
275.20096	44.0
285.16980	45.3
293.21091	22.5
367.24945	51.4
385.26096	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	385.2375
Annotation	5-beta-14-Dihydroxy-bufa-3,20,22-trienolide
Peak:m/z	Relative Intensity
53.03908	1.5
55.01823	2.1
55.05460	8.2
57.03405	0.8
59.59811	0.6
67.05448	9.2
69.03373	2.2
69.07073	4.4
69.47177	0.6
70.06530	1.1
71.04951	1.9
75.76443	0.7
79.05498	11.8
81.03435	3.9
81.07059	11.1
81.62899	0.6
83.04930	1.9
83.08630	4.8
85.02924	3.1
85.06483	2.1
91.05473	9.1
93.07050	7.7
95.04985	4.0
95.08617	7.2
97.02902	1.0
97.06488	1.9
97.10175	3.5
103.05436	0.8
105.03361	1.2
105.07038	7.2
107.04887	2.7
107.08604	6.0
109.02814	1.0
109.06467	1.5
109.10192	3.6
111.04388	0.8
111.08034	1.4
112.97832	0.7
115.05418	1.8
117.07049	4.5
119.08578	4.5
121.06507	5.3
121.10091	2.8
123.04412	4.0
123.08026	2.7
125.09552	2.8
128.06169	1.9
129.06998	7.4
131.04956	4.2
131.08569	6.0
132.05711	0.7
133.06476	3.1
133.10066	2.6
135.08000	1.9
135.11687	0.9
137.05940	1.7
137.09439	0.7
139.03841	2.2
141.07030	3.6
142.07739	1.1
143.08557	4.7
144.05670	1.7
145.06488	26.2
145.10060	2.6
147.04417	1.4
147.08066	4.0
147.11627	1.9
149.09541	1.5
151.03912	1.0
153.01788	0.7
153.06987	0.8
153.09001	1.4
155.04884	1.4
155.08473	2.6
157.06483	9.4
157.10066	2.2
159.04381	0.8
159.08080	8.3
159.11649	1.3
161.05969	3.1
161.09586	1.3
163.03844	1.0
163.07445	0.6
163.11133	1.3
165.06967	1.8
165.12660	0.8
167.07022	0.7
167.08499	2.5
169.06502	3.9
169.10052	2.7
170.07269	1.0
171.08034	8.2
171.11626	1.4
173.05949	1.7
173.09518	1.4
175.07509	1.4
175.11067	1.5
178.07768	0.9
179.08519	1.3
181.06432	1.7
181.10083	2.6
182.07266	0.6
183.08113	4.6
183.11667	1.2
185.09613	6.2
185.13226	1.9
187.07491	1.0
187.11130	0.9
193.10164	0.9
193.12169	2.7
195.08067	4.3
195.11749	3.7
195.13351	1.0
196.08783	1.0
197.09610	3.7
197.13184	2.4
199.11104	2.3
201.05409	1.4
205.12178	1.2
207.11668	1.0
209.09567	2.0
209.13228	1.4
211.11208	4.5
213.12746	2.8
215.14281	1.2
217.08540	1.3
219.11707	1.0
221.13370	0.8
223.11339	3.5
223.13109	1.1
223.16852	3.9
224.11852	1.2
225.12732	4.2
227.14326	5.0
235.11252	1.6
237.12769	6.7
239.14310	2.2
243.13811	1.1
251.14117	0.7
254.12178	1.2
255.13806	19.8
256.14059	0.7
265.15710	0.8
273.14865	15.6
281.15421	3.8
281.65472	0.7
283.16928	0.9
287.16409	2.2
299.16455	0.9
303.20929	0.6
321.22079	1.5
325.18033	1.3
331.20602	2.2
339.19559	1.0
339.23239	5.4
349.21609	25.1
357.13281	1.0
367.22696	100.0
368.23083	2.7
377.71072	0.7
385.12930	2.7
385.23752	46.1
386.24274	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56984	1.4
55.01870	2.9
59.13869	1.2
60.05639	2.0
63.28524	1.4
67.05513	2.9
69.03429	4.9
69.07062	1.6
69.70406	5.9
70.06586	5.5
71.05005	2.7
72.08142	2.3
79.05494	1.9
81.03423	1.7
81.07067	2.6
83.05003	2.2
85.02908	8.9
86.09698	4.0
89.03889	2.9
91.05484	7.4
93.07037	2.8
95.04983	4.3
95.08594	2.7
97.02889	4.1
97.06501	1.7
98.97600	1.7
99.04468	3.0
105.07028	7.0
107.04953	5.1
107.08613	1.8
107.67680	1.7
109.02908	1.5
109.10152	2.9
109.21855	1.3
110.07155	2.2
111.00810	1.4
111.04464	2.4
115.05412	1.5
115.64113	1.4
116.07092	1.7
117.03399	11.8
117.05483	1.5
117.07063	3.5
119.04940	2.1
120.04462	4.7
121.04821	2.4
121.06518	5.3
121.10099	2.8
123.04420	4.1
125.05997	1.8
127.03897	3.3
129.07027	2.2
131.04872	1.4
131.08571	3.0
133.02831	1.4
135.04434	2.3
135.08052	4.1
137.02367	1.4
137.05951	3.6
137.58838	1.5
139.03911	33.8
145.02863	28.0
145.03990	1.6
145.06476	3.6
145.10121	1.8
146.03665	2.6
147.04393	3.0
147.07986	1.8
149.06007	9.8
149.09563	2.0
151.03900	4.5
152.04684	7.0
157.06409	1.8
158.03662	2.7
159.08105	2.2
159.11682	1.6
161.05948	5.8
163.03906	8.2
163.07564	3.0
163.11182	1.9
165.05617	1.6
167.07056	100.0
168.07468	1.5
171.08130	1.8
173.05992	2.2
175.07571	1.7
177.05487	55.9
179.03319	1.4
181.04996	2.5
186.03139	2.3
187.03902	1.5
189.05473	2.8
191.03387	1.4
191.06998	2.8
195.06508	1.7
201.05479	28.8
201.09169	4.6
202.02670	1.8
203.07025	3.1
205.05054	1.8
205.12213	12.5
208.03799	6.7
209.08109	37.0
209.09943	2.7
210.08730	2.0
217.04997	34.3
217.08344	2.3
219.06552	3.6
219.10117	4.7
221.09407	1.7
223.02669	1.8
223.06021	17.2
223.13306	10.2
224.84230	1.5
229.04910	4.5
229.08533	1.9
245.04437	4.8
247.06087	5.2
247.09645	3.1
275.05463	5.0
283.09399	1.9
289.07050	2.2
293.06412	10.7
305.06711	2.9
317.06601	1.8
325.10513	2.3
335.07520	2.7
349.10526	2.5
353.08740	6.4
367.11719	5.2
385.13031	6.7
385.18628	6.6
385.21307	1.9
385.25644	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.1
56.05028	1.4
56.96569	2.2
57.03439	1.7
61.02927	2.7
62.13814	1.0
67.05500	1.8
69.03423	3.9
70.06595	2.9
70.35761	4.2
71.05009	1.8
73.02901	2.3
79.05506	6.5
81.03416	1.5
83.01347	2.3
84.08149	1.5
84.17850	1.1
85.02914	9.0
90.05567	2.2
91.05481	7.9
95.01360	1.2
95.04977	3.8
97.02891	4.2
98.97606	4.8
99.04454	1.9
103.05476	6.2
105.07038	58.6
107.04948	4.8
109.02925	3.0
115.03926	1.8
115.05458	14.9
116.98562	1.2
117.07005	4.5
118.04149	3.6
119.04948	5.3
121.02869	7.8
123.04437	6.1
127.03910	4.1
128.00293	1.3
130.04172	1.4
131.04956	4.8
132.05678	1.6
133.06499	54.0
136.06207	5.3
136.07544	1.4
137.05945	1.9
139.03894	2.5
140.04640	2.6
143.04948	2.7
143.06067	5.0
144.05702	1.6
145.06493	5.9
146.01222	1.7
146.03603	1.4
147.04422	13.6
151.03920	4.6
155.07033	4.5
157.04956	1.3
157.06487	2.2
160.05229	1.7
161.05992	100.0
162.07744	3.1
163.08099	1.9
164.02312	2.2
167.07043	23.4
173.05998	4.8
175.03940	1.5
175.06146	2.0
175.07550	2.8
177.05539	1.3
178.06192	1.6
179.06961	1.5
181.04936	2.5
183.06517	3.8
186.03091	2.0
187.07568	1.7
189.05571	4.1
190.06250	3.3
191.07065	2.0
192.05142	1.6
192.07875	3.1
193.08618	68.5
195.06483	1.7
201.05510	2.3
203.07114	2.6
205.04904	1.5
205.08516	6.6
207.06577	8.0
207.10059	1.2
217.04962	2.1
219.01846	1.9
219.06549	4.9
220.07440	1.5
221.08092	3.1
229.04944	2.3
230.11821	1.5
231.06465	6.7
233.04506	6.5
233.08081	4.1
235.06190	2.2
237.02975	1.9
245.08102	2.2
247.06027	2.6
247.09744	1.4
248.12769	2.2
249.07449	2.1
251.09166	23.9
252.07365	6.1
253.07607	9.2
261.07602	11.7
263.09216	4.2
273.07623	1.5
275.09125	5.7
277.07581	3.4
279.08636	2.9
287.09485	1.2
289.07367	2.7
293.10165	3.1
305.10226	3.2
307.08102	7.6
319.08029	1.4
349.09064	1.3
367.10168	2.4
385.02231	2.4
385.11398	5.9
385.16193	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	384.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68091	2.7
53.03943	5.3
55.01867	6.8
55.05303	2.7
55.05517	28.2
56.05038	11.2
57.03445	19.1
58.06601	3.8
65.03926	3.9
67.05511	100.0
68.05841	11.3
68.20121	2.9
69.03428	4.0
69.06797	3.5
69.07078	37.9
71.04993	5.8
71.53341	3.8
79.05085	3.7
79.05505	54.4
80.05024	9.6
81.03432	9.6
81.07066	81.1
82.06582	4.2
82.07367	6.1
83.04978	13.6
83.08624	16.4
91.04980	4.1
91.05500	48.8
93.07056	56.0
94.06593	6.1
95.04991	15.5
95.08620	30.4
97.06539	11.5
98.09717	26.4
99.08097	4.2
103.05448	3.1
105.04520	2.8
105.07048	41.1
107.04974	9.4
107.08595	31.8
108.67334	2.8
109.06503	9.9
109.10159	25.8
109.61856	3.4
110.10497	14.5
111.08084	3.1
117.07033	16.4
118.65238	2.8
119.08595	26.0
121.06541	7.9
121.10126	16.2
123.08041	3.4
129.07037	7.4
131.08589	17.5
133.10146	22.6
134.10406	4.1
135.11681	8.9
137.09662	4.9
143.08565	6.4
145.10103	15.2
147.11699	10.1
149.09596	17.0
149.13242	11.2
151.11098	3.2
157.10062	5.4
159.11707	12.4
161.09564	3.4
161.13229	3.8
163.11150	8.3
165.12773	4.0
173.11826	6.3
173.13272	6.7
174.12102	5.9
176.14369	4.9
177.12799	6.8
179.14308	3.9
181.12312	5.0
194.15428	7.4
199.14746	4.7
202.07777	3.5
204.13802	18.1
217.15950	3.8
222.14951	4.4
252.96298	2.8
254.17601	4.2
255.15906	3.6
257.19226	6.9
268.19171	23.4
269.17496	77.1
272.18542	3.9
274.18735	3.1
274.21649	5.3
275.20108	20.1
286.20224	18.4
292.19925	6.2
292.22815	5.6
293.21188	8.3
296.18542	10.3
349.23761	15.2
351.25339	6.7
366.22516	4.4
366.26520	69.1
384.23984	10.1
384.27530	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	384.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	25.3
55.05503	17.2
57.03433	18.8
67.05508	100.0
69.07059	16.7
70.65080	23.1
70.65418	21.4
79.05497	47.4
81.07064	90.1
83.04973	38.9
91.05465	53.6
93.07044	46.3
94.10337	12.2
95.04957	46.2
95.08604	48.7
105.07032	48.5
107.04933	57.6
107.08573	31.6
107.09332	12.3
109.06503	30.4
109.10197	31.3
111.04381	14.6
117.07011	18.3
119.08617	21.3
121.10167	12.9
122.07185	13.5
123.08096	15.4
129.06989	15.6
131.08554	32.9
135.08031	15.2
143.08499	15.1
147.00166	14.8
147.08017	23.7
147.11693	14.8
161.09657	20.8
171.11755	15.9
233.15427	61.1
264.43268	13.5
265.18106	76.2
273.18381	24.9
290.18890	15.7
304.20239	17.2
305.21002	41.8
339.21698	59.5
382.76035	15.6
384.24573	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	384.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80756	1.4
55.05508	7.2
57.03420	1.7
57.07063	1.6
59.05001	2.3
61.02918	2.2
67.05506	29.0
69.03426	10.4
69.07039	1.9
70.06596	4.2
71.05005	2.0
71.13668	3.1
71.67717	1.9
72.08158	11.2
73.49815	1.7
74.92836	1.5
75.38059	1.5
79.05479	3.7
81.03411	5.5
81.07060	65.2
83.08607	4.5
84.08156	2.4
85.02908	19.8
85.06542	3.1
86.09702	1.8
86.45225	1.6
87.00813	6.8
91.05473	3.5
93.07047	1.7
95.08617	4.0
97.02894	9.3
98.97567	1.6
99.04462	3.4
100.07677	1.9
100.57860	1.8
101.09648	2.1
105.01872	9.4
105.07015	2.0
107.04942	3.1
108.08132	1.7
109.02880	4.7
110.07164	6.0
120.04474	6.4
122.06014	2.8
123.11716	72.6
124.03904	2.4
127.03912	11.2
133.06445	1.7
133.10088	2.0
136.07552	1.7
139.03949	2.9
141.12744	100.0
145.02882	2.1
145.04979	3.9
167.07016	7.4
177.05484	3.9
182.20485	1.8
187.13301	61.0
199.19896	1.7
201.05380	2.6
205.03168	3.3
205.12523	2.7
205.14343	12.4
207.04761	2.4
209.08066	2.6
217.04968	4.0
223.05914	2.9
226.74771	1.7
231.05104	3.2
249.05907	4.6
264.15915	7.9
266.17575	3.0
295.06351	5.1
340.23190	2.8
352.25940	11.8
384.10919	4.1
384.21158	10.1
384.25131	2.3
385.18216	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	384.1877
Annotation	dihydrozeatin-9-N-glucoside
Peak:m/z	Relative Intensity
53.03948	0.5
55.01886	0.4
55.05504	1.0
57.03440	1.6
59.05010	0.8
61.02939	1.7
63.47171	0.3
67.05499	0.4
69.03428	6.1
69.07074	4.8
69.93506	1.6
70.06586	0.5
71.05004	1.6
73.02916	1.9
81.03418	2.6
83.08620	1.0
84.08099	0.3
85.02913	10.5
85.06517	0.4
87.00830	0.5
87.04469	2.1
87.08106	0.4
91.03956	0.6
91.05469	0.5
93.07028	0.4
95.06128	0.4
97.02896	4.1
99.04488	1.1
101.02362	0.4
109.02886	1.3
110.07167	0.8
115.03902	0.4
119.03585	0.7
119.07059	1.2
121.02867	0.5
121.06493	0.5
124.07620	0.4
125.09685	0.5
127.03901	2.8
136.06197	32.8
137.04593	0.9
145.04965	1.1
147.04436	2.0
148.06187	16.2
155.05644	0.9
162.07655	0.4
169.12250	0.7
176.03413	0.4
177.05409	0.6
183.64684	0.3
187.09666	0.7
194.04523	2.3
202.05360	0.6
204.10664	0.2
204.12474	5.9
205.12390	0.7
208.03110	0.4
222.04004	3.6
222.13512	100.0
223.13620	1.6
264.14642	0.4
342.10220	0.4
384.13611	4.7
384.18729	43.9
385.14612	0.6
385.19138	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
54.94930	0.8
55.01877	1.3
55.05513	43.4
55.14523	0.7
56.05037	1.0
57.03433	1.4
58.99588	2.4
60.04542	0.9
61.02922	2.6
63.28213	0.9
69.03436	6.0
70.06573	1.7
70.71239	2.3
71.04980	1.9
73.02922	1.6
81.03407	2.5
81.07047	1.1
83.08621	100.0
84.08151	1.0
85.02912	16.9
86.09726	0.8
86.99076	4.6
91.05496	2.9
97.02910	6.8
99.04488	1.1
101.09657	17.8
105.00076	6.9
107.08599	0.9
109.02892	2.3
110.07154	4.6
117.03357	2.1
119.04945	3.3
122.02751	1.6
127.03896	3.7
136.06200	1.2
145.02850	3.9
145.04942	3.0
147.04417	12.5
147.41835	0.9
148.04831	0.9
148.06062	0.8
148.07568	2.0
156.07741	1.7
159.08388	2.5
177.05484	3.3
178.05830	1.2
187.07935	1.2
193.86232	1.0
205.07460	0.8
205.08946	53.8
222.11598	72.2
222.13449	4.5
234.09081	1.0
238.05437	1.3
248.10735	1.9
260.10672	1.2
264.12823	0.9
277.13370	1.0
300.12689	2.4
330.31665	1.0
345.34500	1.1
348.14487	1.2
367.12775	5.6
384.16516	5.0
384.21201	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	383.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.5
57.07075	17.8
60.02853	3.2
67.05515	21.9
69.07072	19.0
71.08636	21.0
71.17509	6.3
76.69271	3.0
79.05485	14.7
81.07065	44.3
83.08617	18.1
85.10183	9.6
91.05465	9.3
93.07037	18.9
95.08619	39.7
97.10185	9.3
105.07059	22.0
107.08605	31.9
109.10165	29.6
111.11737	13.8
115.58868	3.4
119.08594	16.6
121.10149	18.2
123.11734	12.3
125.13253	3.8
133.10124	24.1
135.11699	47.4
137.13335	4.0
145.10054	7.1
147.11719	27.4
149.13261	11.5
159.11667	7.3
161.13239	29.3
173.13327	4.8
175.14864	13.6
177.16362	3.6
187.14842	6.6
189.16389	20.0
201.16368	5.2
203.18018	8.2
215.17946	9.4
220.09906	3.2
229.19453	8.1
243.21054	7.7
247.24261	4.2
257.22668	4.9
301.28903	4.6
330.49750	3.3
383.36758	100.0
396.13730	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91934	1.7
53.03930	2.2
53.78779	1.8
55.01862	4.6
55.05313	1.7
55.05516	21.6
57.03429	3.2
57.07064	8.2
59.04991	4.9
65.03938	2.3
67.05508	100.0
69.07072	17.5
71.04974	3.7
71.08617	5.2
71.53263	1.8
71.53644	2.3
75.60111	1.9
76.98644	1.8
79.05498	9.2
81.07061	42.4
83.04978	7.2
83.08612	13.2
85.06533	6.4
91.05487	17.2
93.07055	21.6
95.04958	5.4
95.08616	26.8
96.05756	2.6
97.06528	8.0
99.08088	5.0
105.07048	7.8
107.08605	26.2
109.06515	14.8
109.10167	87.6
110.14558	2.0
111.04447	58.4
111.08084	8.8
117.92444	1.7
119.08575	13.7
121.10165	9.1
123.08098	16.1
123.11662	4.1
124.05248	2.0
125.05061	3.0
125.05998	51.7
125.09629	3.0
127.07568	2.7
131.08559	5.1
133.10118	7.4
135.08075	13.8
135.11719	16.6
137.05984	63.0
137.09608	8.0
137.13266	3.4
139.07605	5.0
143.08592	2.5
145.10176	14.9
147.08080	2.8
147.11690	6.0
149.09613	5.7
149.13260	3.5
151.07542	6.2
151.11176	2.6
153.12767	16.3
155.10693	4.5
155.14330	3.9
157.09975	2.2
159.11687	3.5
161.09602	3.6
161.13248	4.4
163.11200	15.1
163.14841	2.3
167.14412	2.1
171.11702	2.0
173.11774	22.2
175.11121	4.2
177.12621	2.3
177.16161	2.0
179.10632	4.1
179.14336	34.4
181.12238	47.6
182.13026	9.5
195.13840	18.5
203.17929	3.8
221.15353	3.5
231.17473	5.8
240.88060	1.8
249.18523	10.2
267.19537	2.3
277.17996	23.9
291.19467	4.3
293.20972	8.6
295.19238	2.9
309.20572	3.8
319.26215	2.4
331.26373	2.5
333.24451	1.9
341.48489	2.3
347.26010	11.0
348.26532	2.2
349.27365	41.4
350.28186	14.0
365.26968	13.4
383.24216	43.9
383.28055	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	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
51.94894	2.1
53.03936	6.6
55.01859	2.2
55.05513	14.1
56.14853	1.9
57.07080	11.5
59.04987	6.6
65.03927	3.1
66.43980	2.3
67.05181	3.3
67.05508	42.2
69.03439	12.3
69.07046	9.2
69.40535	16.6
71.04974	6.7
77.03924	2.5
77.73419	2.0
79.05490	27.8
81.03389	2.6
81.07056	38.8
81.12928	2.0
81.40643	2.2
83.04969	7.1
83.08611	2.9
85.06543	6.1
91.04985	3.1
91.05493	47.4
93.07047	96.5
95.04977	24.4
95.08607	40.4
97.06532	11.7
103.05460	3.2
105.07037	81.0
107.04964	3.1
107.08604	43.1
109.06516	24.2
109.10168	25.6
111.08070	8.1
115.05407	4.2
116.06247	3.2
117.07019	8.2
119.07790	3.6
119.08591	47.3
121.06543	12.3
121.10160	52.9
123.08068	31.3
125.09631	2.7
128.06227	6.7
129.07019	15.5
130.07779	2.7
131.08578	30.6
133.06477	8.7
133.10129	28.7
135.08041	27.1
135.11685	6.9
137.06055	5.4
137.07114	2.7
137.09619	11.0
141.06982	5.0
142.07791	15.3
143.08574	22.9
144.09314	6.3
145.06432	4.6
145.10133	40.8
146.07297	2.5
147.08055	24.4
147.11693	17.7
148.08830	3.9
149.09641	30.8
151.06432	3.3
151.07553	40.7
153.09103	5.6
155.08563	9.2
156.09337	8.1
157.10135	43.1
158.10907	2.6
159.08061	9.5
159.11693	15.4
161.09624	21.0
161.13316	10.7
163.11209	8.7
165.09140	38.3
167.08574	3.0
168.09315	2.5
169.10208	10.0
170.10942	5.4
171.11745	11.8
173.09650	12.9
173.11847	4.9
173.13274	11.9
175.11182	17.4
175.14819	6.5
177.09143	13.9
179.08557	3.4
181.10068	3.4
181.12274	3.3
182.10907	4.6
183.11674	6.0
185.09586	5.3
185.13298	17.1
187.11218	6.8
187.14825	4.2
189.12718	11.3
191.14284	3.7
193.10190	3.8
195.11694	4.7
197.13268	4.8
199.11089	2.7
201.12766	9.4
203.14343	27.9
207.11874	4.1
207.13753	16.5
209.13228	5.8
209.15326	7.3
211.11153	3.6
211.14798	5.8
213.12798	4.0
215.10760	2.7
215.14311	8.2
216.15094	4.5
219.13878	5.4
221.13396	3.6
221.15363	94.5
223.14938	2.6
225.16289	2.4
227.14284	9.2
229.15919	2.4
231.13692	4.8
233.15393	6.4
234.16176	17.7
241.15747	2.5
243.13956	3.3
265.15939	2.8
277.21722	4.1
281.18942	3.3
286.19183	3.3
286.64838	2.5
287.20029	7.7
291.17310	2.4
299.20105	6.4
303.19580	10.1
309.18304	4.7
327.19733	2.4
347.23541	3.2
365.24780	17.8
383.25769	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2582
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03935	6.2
55.05514	18.0
57.07073	12.0
59.04995	6.8
65.03940	3.3
67.05180	3.9
67.05511	60.0
69.03442	15.3
69.07066	11.9
69.15686	21.9
69.16090	6.7
71.05000	4.3
79.05488	28.1
81.07066	48.8
83.04964	8.8
83.08609	6.0
85.06537	11.2
91.05486	45.1
91.74073	2.8
93.06477	5.5
93.07054	100.0
93.07638	6.5
95.04987	25.4
95.08612	39.1
97.06548	14.6
98.21503	6.8
103.05453	5.1
105.07043	76.7
107.08611	45.4
109.06535	24.3
109.10172	45.3
111.04449	9.7
111.08092	10.8
117.07027	11.7
119.08591	56.4
121.06498	12.2
121.10161	44.9
123.08087	30.4
123.11697	2.8
125.05983	13.0
128.06213	6.4
129.06992	10.3
130.07841	3.2
131.08580	34.6
133.06503	8.8
133.10158	29.8
135.08067	23.3
135.11699	9.5
137.05989	22.1
137.09628	13.8
137.72174	2.5
141.07022	4.3
142.07828	13.6
143.08565	23.0
144.09293	7.0
145.10130	36.3
147.08096	21.5
147.11717	16.8
149.09645	29.2
151.07568	33.2
153.09099	3.1
153.12782	3.7
155.08575	7.5
155.10628	4.3
156.09323	7.5
157.10136	38.0
159.08022	8.0
159.11696	15.1
161.09659	22.9
161.13275	8.7
163.11166	9.9
165.09120	40.9
169.10120	4.7
170.10899	6.3
171.11682	10.6
173.09615	10.6
173.11752	11.2
173.13290	8.3
175.11206	18.5
175.14752	7.1
177.09172	14.4
178.09875	4.8
179.14337	10.0
181.12253	9.8
183.11710	5.0
185.13281	12.8
187.11165	5.4
187.14882	4.0
189.12778	12.7
191.14265	5.7
195.11841	5.0
197.13351	5.8
199.11232	6.1
199.14812	3.2
201.12779	7.9
203.14314	27.0
207.11896	4.9
207.13806	12.9
209.13373	3.9
209.15364	6.6
213.12701	4.0
215.14276	6.4
219.13824	3.3
221.13571	3.6
221.15385	95.9
225.12733	4.3
227.14378	7.1
227.20647	3.7
231.13847	3.4
233.15283	4.4
234.16183	13.5
241.16171	2.8
263.17896	5.1
277.18097	6.7
281.19083	2.8
286.19183	5.0
286.73157	3.5
287.20135	4.5
299.20218	6.7
303.19583	8.9
309.18311	3.9
338.40271	3.2
349.27402	15.1
365.24814	11.5
383.25681	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03939	7.6
55.01873	4.1
55.05514	16.3
57.07070	12.1
58.84753	2.9
59.05011	6.5
61.31665	3.0
62.58492	2.9
65.03905	3.5
65.11762	3.2
67.05177	4.5
67.05510	55.6
69.03435	11.7
69.07060	11.0
69.28858	25.7
71.04983	7.8
71.52203	3.4
79.05494	27.2
81.07076	39.2
83.04980	7.5
83.08616	11.2
83.62920	2.6
85.06531	4.4
91.05483	38.3
93.07054	74.5
95.04973	25.2
95.08624	30.3
97.06547	13.0
98.21571	6.6
105.07046	72.3
107.00049	3.1
107.08608	37.7
109.06532	16.7
109.10162	35.0
111.04479	5.1
111.08083	8.7
112.65317	2.8
113.09665	3.3
115.05380	4.0
116.60840	2.9
117.07044	9.8
119.08599	50.6
120.09340	3.0
121.06518	11.9
121.10160	35.9
123.08073	21.9
123.11700	2.8
125.05991	4.2
128.06236	7.9
129.07004	11.3
130.07785	6.9
131.08551	24.6
133.06450	5.1
133.10152	36.0
135.08049	16.7
135.11703	8.2
137.05988	4.6
137.09612	16.2
141.06989	5.7
142.07755	14.1
143.08588	23.9
144.09355	6.5
145.06482	4.9
145.10143	38.6
147.08072	19.3
147.11714	14.3
148.08855	3.5
149.09633	19.0
151.07550	34.9
155.08595	8.0
155.10712	8.1
156.09375	10.4
157.10133	39.5
159.08128	7.5
159.11723	15.1
161.09586	18.0
161.13297	7.1
163.11179	9.6
165.06920	3.2
165.09151	29.2
166.97037	3.4
169.10132	4.0
170.10893	4.8
171.11725	8.2
173.09651	8.5
173.11726	11.5
173.13164	6.6
175.11176	20.0
175.14819	5.1
177.09122	10.9
178.09880	3.5
181.10188	3.7
181.12320	7.4
183.11781	7.1
185.13263	13.7
187.11227	7.2
187.14766	5.2
189.12753	11.1
191.14336	5.4
193.10182	4.0
195.11703	3.4
197.13313	9.0
201.12773	9.5
203.14313	28.3
207.13815	15.2
209.13385	6.0
209.15317	5.7
211.14796	3.5
213.12706	5.6
214.24773	2.9
215.14317	9.8
219.13794	3.3
221.13474	3.4
221.15392	62.2
227.14278	9.2
231.13737	3.7
233.15367	5.4
234.16182	11.0
237.14713	4.3
269.18921	3.3
271.16910	3.2
281.18936	4.8
287.19977	8.9
303.19580	3.7
327.19681	3.8
365.24753	15.1
383.25873	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.243
Annotation	Pleurogenin
Peak:m/z	Relative Intensity
53.03949	6.8
55.01874	13.4
55.05517	21.9
57.03446	13.5
58.00895	2.4
67.05505	100.0
68.25199	2.2
69.03433	5.7
69.07074	22.8
70.58278	4.8
70.58642	5.8
71.04980	7.4
79.05497	47.0
81.03428	9.3
81.06587	4.9
81.07062	80.9
83.04970	12.2
83.08625	13.0
85.06522	7.3
91.05487	54.2
93.07051	41.6
95.04971	16.7
95.08619	23.9
97.06520	6.5
99.08094	3.1
105.07037	46.5
107.04959	13.6
107.08598	32.2
109.06526	9.5
109.10162	80.8
111.08054	7.1
113.09634	2.9
117.07025	10.6
118.17591	2.2
119.08578	19.2
121.06520	9.7
121.10154	14.8
123.04432	2.9
123.08062	6.4
123.11721	6.9
125.09585	2.6
126.09077	4.1
129.07019	8.1
131.08582	20.6
133.06500	14.9
133.10147	58.8
135.08066	13.1
135.11682	8.1
143.08560	5.6
145.10118	10.0
147.08028	4.9
147.11679	9.4
149.09634	17.6
151.11212	29.5
155.10771	3.5
157.10112	8.6
159.08086	4.5
159.11722	6.1
161.09671	8.3
161.13229	4.2
165.12825	4.1
169.12209	4.2
171.11789	3.0
173.11720	17.8
175.11203	7.3
177.09059	11.9
179.10561	4.3
193.12273	4.6
195.10135	3.7
211.13286	5.9
212.89738	2.6
215.12741	4.6
227.17963	4.0
245.18939	9.2
251.12671	5.6
253.14374	31.5
255.17381	4.8
263.20209	7.6
269.13861	7.4
271.15417	11.4
272.51596	2.5
273.18491	38.9
285.16937	6.7
286.08249	2.5
291.19516	29.4
309.20578	2.9
347.22214	6.7
348.19025	2.4
365.23242	62.3
383.23947	28.2
383.27823	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	383.243
Annotation	Pleurogenin
Peak:m/z	Relative Intensity
53.03942	5.7
53.22210	1.8
55.01879	12.0
55.05260	2.7
55.05514	27.3
56.35107	1.9
57.03439	14.9
59.05003	2.2
63.83713	2.1
65.03935	3.8
67.05508	62.9
69.03411	6.2
69.07076	22.6
69.59583	12.1
71.04968	5.0
79.05064	3.3
79.05496	43.9
81.03416	8.8
81.07060	67.6
83.04977	12.3
83.08640	13.1
85.06564	5.9
91.05484	50.5
93.07051	38.5
95.04984	13.6
95.08606	27.5
97.02882	3.9
97.06540	4.9
97.10159	8.3
98.21392	4.2
99.04445	3.2
105.03441	2.3
105.06387	3.5
105.07041	44.7
107.04959	16.4
107.08597	32.5
109.06508	6.4
109.10165	42.7
111.08073	7.5
117.07013	10.5
119.08586	25.1
121.06511	9.4
121.10188	11.6
123.04433	2.2
123.08074	7.8
123.11685	5.7
125.09621	7.1
125.71433	2.0
128.06241	2.1
129.06993	6.8
130.07712	2.7
131.08560	19.4
133.06497	13.4
133.10144	46.2
135.08051	14.6
135.11702	6.2
137.09615	4.6
143.08536	7.6
145.10138	9.3
147.08066	9.3
147.11650	6.9
149.09663	14.4
149.13313	3.0
151.11182	20.0
157.10114	6.9
159.08119	4.4
159.11656	4.5
161.09593	9.7
161.13358	2.5
163.11157	5.3
169.12216	5.4
171.11688	4.2
173.09657	2.4
173.11772	3.8
175.11188	9.2
177.09145	11.0
177.12770	3.7
179.10623	2.4
189.11259	4.6
189.12761	4.1
193.12303	4.8
215.12892	3.7
223.13281	14.3
227.12811	4.1
237.16339	2.1
245.19017	9.9
249.14877	2.5
251.12784	3.5
253.14453	12.2
255.17580	4.1
263.20123	7.7
269.13843	8.8
271.15369	7.6
273.18515	40.8
273.21310	4.2
285.16882	4.6
291.19562	99.3
303.40131	2.1
309.20465	3.3
347.22116	6.8
365.23242	100.0
383.11514	2.3
383.24289	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	383.2427
Annotation	Pleurogenin
Peak:m/z	Relative Intensity
53.03949	6.3
55.01875	22.8
55.05513	27.7
57.03433	23.2
57.07099	3.3
59.04996	5.5
65.03944	5.4
67.05505	100.0
69.03429	7.4
69.07071	71.8
69.46902	10.1
69.47321	6.9
71.04980	8.6
73.02916	5.9
74.35304	2.7
79.05491	34.7
81.03407	13.2
81.07065	52.5
83.04984	9.2
83.08624	15.8
85.02908	4.4
85.06548	5.4
91.05480	30.1
93.07050	28.3
95.04958	13.8
95.08610	21.9
97.02908	2.8
97.06528	20.0
97.10176	15.8
105.07035	22.8
107.04972	7.2
107.08601	21.6
109.06484	6.7
109.10162	55.9
111.08054	4.8
116.04721	9.5
117.07039	10.1
119.08607	13.6
121.06504	5.1
121.10123	14.3
123.08039	14.7
123.11687	4.2
125.09646	11.9
129.05486	32.9
129.06935	3.2
131.08556	10.8
133.06479	5.4
133.10138	17.5
135.08070	6.0
135.11690	5.0
137.09625	4.8
143.07086	5.4
143.08586	2.8
145.10109	10.2
147.08046	5.6
147.11685	4.0
149.09612	6.9
151.11140	4.9
155.10617	3.8
157.08601	13.9
157.10002	3.8
159.08115	3.7
159.11790	4.4
161.09660	5.5
161.13255	3.7
163.11157	5.5
171.10197	6.9
171.11688	2.7
173.11742	22.7
177.12851	4.1
179.14177	3.1
185.13284	2.8
189.11235	8.0
193.12265	6.0
200.14066	3.2
223.13382	4.3
227.12811	4.0
229.14317	15.9
243.16124	3.5
255.17358	4.0
271.15308	6.0
273.18546	21.6
275.20056	7.3
285.16971	3.1
291.19553	48.3
347.22150	3.7
349.23697	8.5
365.23224	38.3
383.11212	11.3
383.24353	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	383.2427
Annotation	Pleurogenin
Peak:m/z	Relative Intensity
51.13356	2.1
53.03941	3.7
55.01867	6.0
55.05522	27.6
57.03449	11.7
57.03666	2.2
59.05017	3.5
59.22725	2.6
67.05507	71.5
69.03428	7.7
69.07079	21.2
69.51188	2.3
70.93351	4.8
71.04970	3.7
72.53683	2.2
79.05499	29.7
81.03419	11.1
81.07059	41.9
83.04995	6.8
83.08614	14.6
85.02900	6.1
85.06544	3.1
91.05492	20.8
93.07054	24.2
95.04962	9.7
95.08609	14.5
97.02875	6.0
97.06502	4.2
97.10180	21.9
105.03372	3.6
105.07037	17.0
107.04970	5.5
107.08588	16.2
109.06529	3.7
109.10159	36.9
111.04461	3.0
111.08091	5.5
117.07027	8.1
119.08600	18.2
121.06493	3.1
121.10135	9.0
123.08060	10.5
125.09647	17.0
129.06989	5.2
131.08604	11.3
133.06480	7.4
133.10123	8.4
135.08032	6.7
135.11711	4.6
137.09639	4.3
143.08525	3.9
145.10117	5.2
147.08067	8.4
147.11688	5.9
149.09618	3.4
152.36531	2.4
155.10645	2.5
157.10135	4.5
159.11664	3.6
161.09665	2.5
163.11148	5.0
165.09074	5.1
173.11742	10.3
175.11124	4.5
176.57019	2.4
189.11240	12.3
191.10570	2.9
193.12251	8.9
211.13297	6.9
223.13335	17.5
227.12759	8.0
255.17477	2.3
273.18466	19.9
291.19550	100.0
347.22244	5.6
365.23260	71.8
383.11185	4.4
383.24261	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	383.2429
Annotation	Pleurogenin
Peak:m/z	Relative Intensity
50.37912	1.7
53.03942	4.2
53.77197	1.6
55.01870	6.7
55.05516	26.4
57.03443	10.3
57.07069	3.7
59.04993	5.3
61.02920	6.6
64.37840	2.0
65.03928	3.0
67.05505	100.0
69.03419	7.1
69.07076	14.4
70.40450	2.2
71.04996	4.4
71.27076	4.4
73.02869	2.0
79.05492	28.9
81.03426	5.3
81.07059	43.2
83.04971	7.3
83.08617	12.5
84.08125	2.2
85.02898	4.6
85.06530	5.8
91.03936	3.5
91.05482	29.0
93.06553	2.8
93.07056	26.9
95.04977	9.4
95.08617	19.4
97.02878	6.5
97.06521	4.1
97.10152	10.5
99.08023	1.8
105.07036	19.8
107.04949	8.2
107.08585	22.5
109.06528	5.6
109.10162	66.6
109.72297	1.8
111.04456	3.7
111.08086	6.5
117.07006	7.7
119.08598	13.7
121.06491	5.8
121.10151	10.7
123.04427	3.7
123.08063	8.3
123.11687	2.8
125.09613	7.2
129.06969	4.4
130.21370	2.1
131.08559	10.1
133.06477	7.0
133.10135	22.8
135.08061	7.5
135.11702	4.6
137.09587	5.1
143.00041	2.0
143.08495	3.2
145.10129	8.2
147.08090	5.7
147.11728	3.8
149.09610	6.5
151.11166	7.8
155.10681	4.4
157.10126	3.1
159.08034	2.6
159.11673	3.8
161.09598	5.7
163.11148	3.7
165.09045	3.1
165.12766	3.2
169.12233	2.7
171.11729	3.0
173.09608	2.3
173.11726	20.3
175.11165	4.7
185.13284	2.9
189.00621	2.7
189.11180	6.5
191.10419	2.1
193.12184	3.5
211.13367	2.4
223.13232	5.3
227.12729	3.4
245.19058	4.9
249.15314	2.1
253.14285	5.9
255.17415	2.7
263.20197	3.7
269.13730	2.5
271.15372	4.3
273.18481	24.5
285.16931	3.1
291.19543	42.6
309.20642	2.4
347.22067	4.2
365.23233	52.1
383.10971	2.5
383.24261	43.9
383.28986	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	383.2431
Annotation	Pleurogenin
Peak:m/z	Relative Intensity
53.03951	5.2
55.01881	17.8
55.05527	21.6
57.03440	33.3
57.07083	3.8
57.92089	2.8
59.05005	2.6
59.79320	2.4
61.02937	3.6
65.03950	4.0
67.05513	100.0
69.03426	6.8
69.07072	18.8
69.36085	11.2
69.36510	10.7
69.65239	2.9
71.04993	9.9
79.05503	46.1
81.03418	9.9
81.07063	61.2
83.04988	11.7
83.08624	12.5
85.02905	7.2
85.06564	21.5
85.31873	2.5
88.52305	2.4
91.05492	53.4
93.07056	32.1
95.01358	3.7
95.04980	44.7
95.08628	29.9
97.02885	5.4
97.06517	6.3
97.10170	3.4
99.04458	4.2
103.05453	3.2
105.07040	34.2
107.04978	13.8
107.08609	32.2
109.02903	3.7
109.06525	44.4
109.10167	51.7
111.04474	3.0
111.08097	7.4
113.06017	57.9
117.07018	14.8
118.03620	2.6
119.08576	23.9
121.06503	7.1
121.10191	16.6
121.10941	2.4
123.04427	3.8
123.08064	9.8
123.11713	6.7
125.09618	4.5
128.06227	3.8
129.05502	3.3
129.07040	8.2
131.08562	23.3
133.06546	4.2
133.10129	35.6
135.08054	32.2
135.11690	6.7
137.06009	7.3
137.09651	3.8
143.08617	7.9
145.10147	14.3
147.08075	8.0
147.11700	6.3
149.09676	14.5
149.13200	2.8
151.11211	11.3
155.08556	3.2
157.10117	9.2
159.08098	7.9
159.11740	4.7
161.09671	13.3
161.13258	4.8
165.09230	3.2
171.11716	7.3
173.11710	14.0
175.11169	4.2
177.09076	5.0
179.10709	3.8
189.12756	5.2
193.12428	3.1
195.10065	3.3
199.14806	5.2
201.12592	2.7
211.13187	4.3
215.12862	3.0
217.15929	10.3
227.17935	3.4
243.77068	2.6
245.18954	5.1
253.14484	8.2
255.17578	3.9
263.20212	2.9
271.15472	5.6
273.18491	45.2
285.16916	4.8
291.19568	69.8
347.22238	7.8
365.23300	53.0
383.15356	4.1
383.24387	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	383.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34970	2.3
53.03941	10.9
54.93349	3.1
55.01872	13.0
55.05512	19.4
57.03435	12.7
57.07061	3.6
59.05013	3.8
59.42970	3.1
61.02930	6.7
61.72901	3.1
67.05503	20.4
68.99794	9.2
69.03434	99.0
69.07071	15.7
70.06584	4.7
70.21289	2.8
71.01346	3.3
71.04995	50.5
71.17987	6.8
72.05222	3.0
73.02912	5.9
79.05498	34.4
81.03419	100.0
81.07059	51.6
83.04985	11.4
83.08636	4.4
85.02910	36.9
85.06564	3.0
87.00832	28.2
91.05477	41.3
91.40910	3.0
93.07050	55.2
95.01344	4.9
95.04984	20.5
95.08617	20.2
97.02901	37.1
97.06567	4.4
97.92804	2.7
99.04466	8.8
99.08112	21.1
100.11259	4.9
103.05537	4.3
105.01862	7.0
105.07034	67.7
107.04949	12.3
107.08603	53.2
109.02888	10.6
109.06521	33.0
109.10173	22.6
111.04449	12.1
111.08075	5.7
115.03953	7.8
115.05444	6.5
117.07034	16.3
119.04959	15.2
119.08589	41.4
121.06520	23.8
121.10165	26.7
123.04440	6.3
123.08102	12.5
123.11715	10.4
127.03947	19.0
127.07561	36.4
128.06232	9.8
129.01830	9.0
129.07007	14.1
130.07777	6.4
131.08578	24.9
133.06496	15.0
133.10161	19.7
135.08044	13.1
135.11703	26.7
137.05963	9.0
137.09631	9.0
137.13249	3.2
139.03883	6.3
139.07660	3.3
142.07765	6.6
143.08574	18.8
145.06500	11.2
145.10123	46.3
147.08055	23.9
147.11688	19.7
149.06001	6.7
149.09645	8.1
149.13344	3.2
151.07576	15.4
151.11168	23.3
152.05707	11.6
153.07097	4.5
153.12726	3.7
155.08501	16.7
157.06496	11.0
157.10126	10.0
158.07254	6.4
159.02924	8.3
159.08078	14.3
159.11668	15.0
161.09625	8.2
161.13258	5.7
163.11179	19.8
165.09187	3.1
165.12794	24.4
171.08049	22.3
171.11562	6.1
173.09636	55.2
173.13362	3.4
175.07547	22.3
175.11188	15.2
177.09174	4.4
177.12773	19.1
179.14339	5.8
183.08061	4.8
183.11742	3.6
185.09633	3.0
187.06000	3.9
187.11296	7.8
189.04012	7.4
189.09122	15.1
189.12764	15.8
191.10669	34.9
193.12299	8.9
197.13249	6.0
199.11316	4.3
201.03975	22.1
201.09190	7.0
201.12752	5.4
205.12274	8.1
207.10094	4.0
207.13823	5.5
209.11627	4.0
211.18871	3.2
215.14340	11.7
217.12224	3.5
219.13815	9.3
225.12717	7.7
231.05009	4.6
231.13780	5.3
233.15450	9.0
237.14798	5.6
243.13841	35.1
261.14862	34.3
279.15964	17.6
321.16931	3.7
335.60269	3.0
342.27155	2.9
347.14886	23.4
351.12210	5.1
365.15924	21.2
383.10831	2.9
383.16336	19.5
383.21103	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	383.145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	4.0
61.02927	3.5
62.75481	1.5
64.09007	1.5
69.03434	10.3
70.27792	3.2
70.28185	4.5
73.02913	2.0
73.21633	1.4
74.02425	1.8
74.79671	1.5
74.85015	1.4
81.03409	6.7
82.02944	2.9
85.02902	31.5
94.06572	1.9
97.02887	8.0
98.97631	2.1
99.04451	3.0
103.03961	3.9
104.66614	1.8
109.02895	4.8
110.06052	1.5
115.05488	1.5
117.05727	1.5
118.06555	4.9
127.03915	5.7
130.06525	59.5
132.04451	16.0
132.08076	4.9
142.06584	2.7
143.07295	1.5
144.06860	4.1
144.08066	24.4
145.04980	2.2
145.07596	20.3
146.05991	10.2
147.09052	1.7
148.07570	4.2
154.06544	5.3
156.08061	3.7
157.07619	65.1
158.06006	50.9
159.09172	8.7
160.07611	2.8
169.07625	6.9
170.06013	2.7
170.08305	2.2
171.06802	1.9
171.09183	8.0
171.13930	1.7
172.07547	11.1
174.05510	6.5
175.08670	60.8
176.07069	3.8
181.07652	5.2
182.05908	1.6
182.08400	2.7
183.09215	15.4
184.06149	1.9
184.07590	3.4
185.07135	12.9
186.05524	4.3
186.07852	2.6
187.08678	4.3
188.07019	2.8
196.07585	1.7
198.05447	1.9
199.08629	10.6
200.07123	16.7
202.07101	1.9
203.08156	100.0
204.06526	4.2
204.08408	2.0
207.09164	1.9
209.07111	8.8
215.08136	3.0
216.08929	4.5
217.09715	33.7
221.09192	60.9
223.08896	1.4
227.08142	13.0
228.06516	4.1
231.07629	5.9
235.46136	1.5
236.06960	1.6
245.09264	26.8
257.09286	3.6
263.10275	51.2
267.11148	1.7
269.09152	2.1
299.10275	7.6
311.10394	1.8
324.28494	1.8
329.11569	4.7
347.12393	9.2
348.10776	11.2
351.76157	1.6
365.13409	38.3
383.14496	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	383.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
53.37905	0.8
55.01867	3.8
55.05503	0.9
59.05001	0.8
60.04527	1.5
61.02929	12.4
67.05506	1.2
68.99796	14.9
69.03423	1.5
71.01355	0.9
71.04337	1.8
71.04992	1.4
76.69512	0.7
79.05492	3.5
81.03404	2.0
81.07051	2.7
85.02901	7.3
85.06493	1.1
86.03217	1.0
87.00838	8.6
87.04460	1.0
89.03922	1.2
91.05486	9.9
93.07034	3.0
95.04955	2.3
97.02873	4.1
97.06573	1.4
98.03680	1.6
103.05470	8.8
105.07013	2.4
107.04963	4.8
107.08614	1.7
109.02870	3.0
111.04443	5.7
115.05449	3.9
116.06214	1.7
117.03380	2.9
117.07027	6.3
117.09100	1.0
118.04195	0.8
119.04939	8.4
121.06516	9.4
121.10091	1.0
123.04414	3.4
126.03123	1.3
127.03896	2.5
129.01846	13.4
131.04926	7.4
133.02853	1.6
133.06491	3.0
134.03621	1.1
135.04416	1.9
137.02367	1.2
140.04683	1.3
143.04971	1.2
144.05679	1.5
145.02859	4.5
145.06514	9.1
146.03644	7.0
147.02910	6.0
147.04411	22.3
148.05159	0.9
149.02338	1.5
149.05968	8.3
151.07567	2.4
154.02570	6.2
155.03482	0.9
155.04901	2.5
155.06017	1.4
159.03261	0.8
159.04413	3.9
160.05280	1.2
160.08737	7.2
161.05965	2.4
162.03127	1.8
163.03900	4.1
164.04703	7.2
165.05466	1.0
167.07063	1.3
167.10715	1.2
169.04976	13.7
170.05733	3.1
171.04381	1.4
172.05161	5.5
173.05974	9.3
174.03166	4.0
175.03902	4.7
176.04721	1.5
177.05470	27.1
178.02550	1.3
178.06117	0.8
179.03383	2.0
179.07021	2.1
180.04205	1.1
181.05029	0.9
181.08585	1.8
183.04362	1.1
183.06563	1.9
185.11676	1.5
186.06595	2.1
187.03833	4.0
189.03978	1.1
189.05457	3.0
190.06282	4.0
191.07011	4.1
192.04195	11.7
193.04970	6.2
194.05742	2.8
195.06537	2.9
197.04533	1.7
199.03944	1.0
200.04578	4.6
201.05458	8.0
203.03438	4.9
203.09271	3.6
204.04250	1.2
205.04926	12.1
205.08549	2.1
206.05771	1.2
207.02979	7.7
207.06534	32.3
209.04433	2.9
209.08134	9.9
215.03464	3.9
217.04950	1.1
218.05786	8.0
219.06546	6.8
221.04451	1.3
221.08154	3.3
222.05235	14.3
228.04181	2.4
229.04939	6.1
231.02936	2.5
233.08092	29.6
235.06010	8.8
236.06723	1.8
237.07584	25.9
246.05261	4.3
247.06046	9.3
251.09140	4.2
261.04614	1.2
261.07574	45.1
264.06247	6.0
279.08636	100.0
297.09906	1.7
297.14459	1.1
351.07202	0.9
365.08456	2.4
383.08932	1.6
383.13354	7.2
383.28314	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	382.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42748	0.2
54.98673	0.3
56.96291	0.4
56.96566	6.4
69.56261	1.0
69.56681	0.6
71.95260	1.7
91.30857	0.3
94.19067	0.2
95.31059	0.2
98.97584	100.0
99.97924	0.4
101.37330	0.2
105.03405	1.1
107.20974	0.2
116.98622	41.1
117.98986	0.3
133.57089	0.2
134.99658	10.0
135.02977	0.3
140.00200	1.0
152.06432	0.3
153.00708	0.5
157.06697	0.2
158.01259	0.4
160.31725	0.2
164.31958	0.3
167.34267	0.3
174.97713	0.3
181.03426	0.6
181.97404	0.4
185.02034	0.3
189.00325	3.2
192.98872	0.3
198.97827	0.5
199.04430	0.4
207.01379	4.1
208.55231	0.2
216.98708	2.1
217.98824	0.5
219.82909	0.2
225.02478	0.4
233.96622	0.3
234.99768	1.5
235.99953	0.6
240.98628	5.4
243.03506	0.8
248.03999	0.4
256.96582	0.3
257.96844	0.4
258.99765	71.5
259.99857	1.4
261.03137	0.6
266.05063	0.3
274.97769	0.7
275.69223	0.2
275.97873	0.6
277.00818	76.4
278.00919	1.6
279.01221	0.3
282.01245	1.5
282.99930	1.3
283.99939	0.3
292.98834	0.3
295.01794	0.4
298.97833	0.5
299.98090	1.1
300.02393	1.8
300.97729	0.3
301.01041	1.1
316.98767	0.9
317.98999	2.1
319.14044	0.4
341.99005	1.5
342.15485	0.3
355.16080	0.3
359.00006	0.7
360.00015	2.3
360.16516	2.5
378.17596	5.9
382.99890	3.0
401.00995	7.3
402.01306	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.0
57.07068	1.0
61.73822	0.8
66.34254	0.8
67.05499	6.4
68.05018	2.6
69.07066	7.3
70.06599	9.5
71.53606	0.9
79.05491	4.5
81.07052	6.1
83.05016	1.0
83.08633	1.7
91.05481	5.1
93.07059	7.4
94.06567	1.4
95.04972	1.0
95.08611	7.7
96.08138	3.4
100.07646	4.5
100.77000	0.8
105.07031	15.5
106.06548	1.4
107.08603	6.0
108.08126	1.4
109.10158	5.2
114.05532	3.4
116.07101	6.6
117.06983	1.3
119.08573	12.2
120.08102	3.9
121.10133	4.3
122.09671	1.7
123.11694	1.1
128.07076	4.0
129.07018	1.0
131.07692	0.8
131.08557	4.9
133.10135	5.9
134.09636	1.6
135.11745	1.6
143.08577	3.1
145.10112	5.7
146.09685	1.2
147.11700	3.8
148.11195	7.2
151.06285	1.7
154.08641	2.2
154.26173	1.0
155.08548	1.0
157.10161	4.2
159.11684	3.4
160.11249	1.2
161.13388	0.9
162.12798	2.1
168.10223	18.1
169.10208	1.6
171.11705	2.7
173.11845	1.7
173.13293	2.6
175.14906	2.7
177.16382	1.7
178.08665	5.0
183.11742	1.8
185.13286	2.4
187.14880	1.9
189.16478	1.4
192.10236	3.2
194.11783	11.9
197.13278	2.6
201.16473	1.4
206.11766	1.8
211.14824	2.2
229.07463	0.9
234.14844	1.2
237.16396	2.2
247.08627	1.0
248.39774	0.9
255.58881	0.9
267.21185	2.7
269.22873	1.2
290.21057	4.3
367.25098	1.0
376.07394	0.9
382.27417	100.0
383.27664	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	382.1707
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
52.58860	0.7
57.07067	2.6
59.04989	1.2
59.80799	0.7
67.05485	2.1
69.03400	0.8
69.07063	2.1
69.45517	0.8
70.02939	2.0
70.97269	2.0
72.04523	7.4
73.02903	1.2
83.81633	0.8
85.02910	4.4
85.06545	5.3
87.08106	1.2
90.05556	48.4
95.04974	2.4
98.02419	7.6
100.03999	1.3
103.07578	3.1
108.13449	0.8
111.87033	0.7
113.05984	1.0
115.66497	0.8
116.03467	7.3
124.07595	7.9
142.08589	4.1
160.09680	1.0
166.08638	1.2
174.11249	1.5
184.09698	11.5
202.10751	18.8
202.12526	1.5
220.11803	100.0
265.98666	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.5
55.01874	33.7
55.05513	28.4
56.96582	4.6
57.03441	42.5
57.07056	3.5
58.19579	2.8
61.02935	5.6
65.03934	4.6
67.05177	6.2
67.05510	87.4
69.03422	7.5
69.07072	20.1
69.96417	7.5
69.96808	5.3
71.04998	8.7
79.05495	67.0
81.03412	22.8
81.07059	64.7
82.24382	3.2
83.01343	7.7
83.04989	38.5
83.08607	10.8
85.02905	4.4
85.06557	4.7
91.05492	74.5
93.07047	52.5
95.04974	54.5
95.08603	34.7
97.02917	8.1
97.06520	4.4
97.10150	3.6
98.07296	5.0
99.04460	3.5
103.05505	6.0
105.07036	63.5
107.04967	100.0
107.08604	25.4
108.05772	6.1
109.06516	35.4
109.10143	13.7
110.07317	3.3
111.04420	10.0
111.08074	6.1
112.05254	6.8
113.06039	8.8
115.05421	5.8
117.07030	35.4
119.04951	6.8
119.08580	39.6
121.06521	20.7
121.10129	13.5
122.07301	22.5
123.04427	11.2
123.05299	4.1
123.08045	11.4
123.11735	4.7
125.06001	5.2
128.06245	7.8
129.05495	5.3
129.07004	25.1
131.04912	7.9
131.08586	32.9
133.06516	29.7
133.10123	20.7
135.04474	5.1
135.08070	20.2
135.11678	10.6
137.05984	7.3
137.09625	6.9
139.07449	3.7
141.06966	7.9
143.08577	16.8
145.06511	28.1
145.10123	21.9
147.08051	30.6
147.11708	6.7
148.08636	3.4
149.06001	3.9
149.09613	9.3
149.13225	5.0
155.08585	6.4
157.10172	7.7
159.08060	6.7
159.11705	13.1
161.09627	19.4
161.13240	6.3
162.10497	7.3
163.11165	9.4
165.09123	6.2
167.08633	3.3
169.10135	9.6
171.11699	9.2
173.09612	3.6
173.13271	15.0
175.11179	8.0
177.12766	7.3
185.13271	3.8
187.11134	3.3
187.14854	11.4
197.13383	6.5
201.12830	3.7
201.73409	3.1
205.15948	4.7
215.14336	16.6
223.76204	3.7
231.09129	4.3
233.15323	58.7
248.03146	3.6
251.16426	11.1
257.10718	3.5
261.14828	5.3
263.26788	3.4
267.09091	9.4
267.15808	3.4
269.10510	6.5
269.17276	3.5
273.18478	13.5
285.10040	9.4
290.18744	14.1
301.13409	9.7
307.19055	37.9
335.18582	50.1
372.18213	3.7
381.13354	3.7
381.22708	52.5
403.13159	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	381.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93569	0.7
60.27380	0.7
64.41831	0.6
71.05767	1.4
82.01454	0.6
93.62553	0.6
128.01817	0.8
160.80743	0.7
189.89999	0.7
201.01646	2.9
211.92656	0.6
219.02728	2.9
241.91612	0.7
381.07980	100.0
382.08258	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	10.9
57.03423	1.3
58.06601	2.3
60.05653	51.5
65.25137	0.8
67.05499	1.1
67.54209	0.7
69.00924	1.4
70.06596	25.1
70.57864	2.8
74.06078	3.4
81.07072	1.3
83.48354	0.7
85.02881	1.8
85.06528	0.9
86.03571	6.4
86.06889	0.8
87.09226	1.0
97.07668	1.8
99.05551	1.8
105.06999	0.8
107.08598	1.9
108.08930	1.2
113.07134	7.1
121.10165	1.7
122.10449	1.1
123.11761	1.7
129.10245	39.7
146.05998	2.8
148.03949	3.1
148.12114	1.2
152.05721	2.0
155.08160	57.4
159.11687	1.0
165.12755	1.8
166.13098	2.2
174.05518	14.8
178.04999	2.1
180.06569	2.7
183.13818	1.8
184.14168	3.6
192.06506	0.9
202.15218	1.7
206.08174	3.7
214.13036	6.8
218.12994	1.3
246.12392	50.8
248.10301	1.4
259.07147	3.5
264.13443	3.5
265.11777	2.6
266.11353	8.0
278.15009	100.0
279.13339	3.1
280.13007	4.3
291.09747	1.8
296.16061	25.1
308.12427	2.3
316.26862	0.8
322.13995	15.9
363.17831	1.8
381.18869	2.5
392.06622	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.3
55.05510	18.3
57.07065	12.1
59.40119	4.1
67.05511	39.2
69.03428	27.3
69.07069	43.2
71.04990	8.3
71.53566	6.0
79.05498	18.2
81.03410	5.0
81.07062	100.0
83.04970	7.0
83.08621	13.8
85.02914	5.2
85.06073	7.1
85.06548	83.6
91.05482	11.1
93.07047	46.8
93.08321	3.7
95.04984	7.5
95.08049	6.5
95.08617	77.3
97.06532	18.2
97.10169	9.1
99.04463	3.9
99.08094	10.7
99.43689	4.2
105.07040	22.9
107.08600	40.1
109.06549	5.2
109.10170	63.2
111.08089	42.0
111.11726	5.9
113.09637	4.6
119.08562	18.3
120.60183	3.4
121.10157	36.5
123.08079	4.7
123.11737	48.8
125.09631	61.1
127.03867	4.4
127.11147	4.8
128.04253	4.4
133.10141	17.7
135.11696	29.8
137.13255	13.8
139.11122	10.3
145.10152	7.5
147.11694	15.9
149.13277	15.1
151.11221	5.0
153.12790	18.0
159.11696	8.5
161.13280	8.2
163.14804	11.6
165.12741	9.0
169.12253	11.0
171.13812	63.7
173.13214	7.3
175.14867	5.3
177.16347	4.4
183.13707	6.9
191.17987	5.5
199.16988	5.7
215.17986	4.2
217.17912	5.1
221.18842	5.3
233.19029	5.6
239.20091	10.4
251.20050	5.1
271.24399	6.0
289.25226	14.3
295.26334	11.6
307.26385	28.2
313.27423	8.0
325.27350	15.7
343.28607	5.8
361.29718	7.7
404.23758	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.3
55.05510	18.3
57.07065	12.1
59.40119	4.1
67.05511	39.2
69.03428	27.3
69.07069	43.2
71.04990	8.3
71.53566	6.0
79.05498	18.2
81.03410	5.0
81.07062	100.0
83.04970	7.0
83.08621	13.8
85.02914	5.2
85.06073	7.1
85.06548	83.6
91.05482	11.1
93.07047	46.8
93.08321	3.7
95.04984	7.5
95.08049	6.5
95.08617	77.3
97.06532	18.2
97.10169	9.1
99.04463	3.9
99.08094	10.7
99.43689	4.2
105.07040	22.9
107.08600	40.1
109.06549	5.2
109.10170	63.2
111.08089	42.0
111.11726	5.9
113.09637	4.6
119.08562	18.3
120.60183	3.4
121.10157	36.5
123.08079	4.7
123.11737	48.8
125.09631	61.1
127.03867	4.4
127.11147	4.8
128.04253	4.4
133.10141	17.7
135.11696	29.8
137.13255	13.8
139.11122	10.3
145.10152	7.5
147.11694	15.9
149.13277	15.1
151.11221	5.0
153.12790	18.0
159.11696	8.5
161.13280	8.2
163.14804	11.6
165.12741	9.0
169.12253	11.0
171.13812	63.7
173.13214	7.3
175.14867	5.3
177.16347	4.4
183.13707	6.9
191.17987	5.5
199.16988	5.7
215.17986	4.2
217.17912	5.1
221.18842	5.3
233.19029	5.6
239.20091	10.4
251.20050	5.1
271.24399	6.0
289.25226	14.3
295.26334	11.6
307.26385	28.2
313.27423	8.0
325.27350	15.7
343.28607	5.8
361.29718	7.7
404.23758	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.9
57.07100	0.7
62.06084	2.1
65.47541	0.6
67.05476	0.7
67.39301	0.6
69.03441	0.6
69.07072	1.0
70.06602	1.1
71.04984	1.1
72.60789	0.7
75.81318	0.8
79.05481	1.1
81.07047	2.6
84.04534	0.8
85.02900	2.5
86.09750	0.7
91.05492	4.8
93.07016	1.8
95.08615	1.9
97.02834	0.7
98.20718	1.6
103.05453	0.7
105.07042	1.0
107.08577	1.2
109.02906	0.9
109.10104	0.7
119.08546	1.3
121.02838	1.0
121.06502	0.9
121.10145	1.9
127.03920	1.0
135.08020	0.8
135.85628	0.7
136.07588	1.1
137.05977	1.9
138.06314	0.8
139.06358	0.7
149.09599	1.0
152.05717	1.5
163.07529	1.2
171.21712	0.6
188.03383	0.8
203.07121	0.8
211.39709	0.7
227.05196	1.3
258.11191	1.0
258.20712	1.3
271.04291	1.4
293.10089	3.8
317.10324	0.8
335.11038	26.1
379.10001	100.0
380.10342	1.9
397.24161	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77217	0.5
66.35585	0.4
67.94716	0.4
69.03422	0.6
69.07049	0.7
69.21587	0.4
70.06590	0.6
70.63998	1.1
70.64333	0.4
83.04976	0.4
85.02914	1.0
86.09730	1.1
91.05462	0.7
106.07813	0.4
117.82104	0.4
119.04957	0.5
123.04503	0.5
147.04434	0.8
149.70421	0.4
165.24051	0.4
171.07976	0.4
180.46672	0.4
185.04150	0.9
194.04700	0.5
209.69781	0.4
217.08344	1.7
233.06207	0.8
244.09674	0.8
338.12787	0.5
379.13672	100.0
380.14011	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.4
55.01861	0.8
67.05496	0.3
69.03426	0.7
69.07055	0.7
70.06595	0.4
70.93060	0.6
70.93420	0.4
71.04995	0.3
75.17413	0.3
79.05475	0.9
81.03392	0.3
81.07050	0.4
81.40988	0.3
85.02890	1.1
91.05472	1.5
93.07037	0.7
95.04949	0.9
95.08595	1.0
97.02904	0.3
97.06525	0.6
102.25703	0.3
103.05469	0.3
105.06998	0.6
107.04926	0.7
107.08568	0.4
107.81010	0.3
109.06532	0.6
109.10215	0.3
111.08089	0.8
111.54401	0.3
118.43010	0.2
121.10156	0.9
122.03602	0.3
123.04446	1.3
123.08038	0.9
124.03949	1.1
124.07590	0.3
127.11223	0.4
136.05162	0.7
137.05959	2.3
138.06783	1.6
139.11205	2.4
141.09081	0.7
144.45276	0.2
145.10109	0.3
146.90361	0.2
148.04008	0.5
148.05191	9.9
151.03918	0.7
154.06255	0.4
163.11179	0.6
165.05446	0.3
166.06268	0.5
169.12331	0.3
172.08698	0.9
173.09140	0.3
176.87277	0.3
181.08598	100.0
182.08922	0.6
184.07318	0.3
199.09674	0.9
199.13310	0.9
202.10895	0.4
220.73856	0.3
243.06538	0.4
243.08731	2.4
244.09256	0.4
257.12802	0.7
278.10989	0.3
318.11877	0.3
378.15445	2.5
378.25717	0.3
379.13776	1.1
392.37427	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84235	0.4
53.03957	1.3
55.01874	1.0
55.05515	4.9
57.03430	1.0
60.04530	0.8
61.02931	1.3
69.03429	3.9
70.06596	0.8
70.30420	1.2
70.45854	0.4
71.05001	0.7
74.42229	0.4
81.03413	3.7
81.63612	0.4
84.08144	1.9
85.02908	12.3
87.00839	1.6
88.91241	0.4
91.05488	1.7
93.07020	0.6
97.02908	2.5
98.06062	0.7
99.04453	1.3
103.05466	1.5
105.01852	0.8
107.40719	0.4
109.02880	1.7
112.02203	4.9
112.07611	18.2
116.07070	0.4
119.04913	0.8
121.06511	0.9
122.03651	1.7
123.08050	0.4
127.03925	3.7
130.03215	2.2
130.08646	69.3
131.04941	1.0
137.05983	100.0
138.06314	0.8
138.20737	0.4
145.04988	1.5
145.06561	0.6
147.04437	1.4
149.05928	0.7
151.07549	1.2
159.02890	0.5
163.06285	0.4
163.07503	2.4
167.07097	0.6
175.07556	1.0
181.08603	21.0
199.09669	3.3
209.08160	0.7
218.89555	0.4
227.44048	0.5
277.10474	0.4
289.10678	0.6
312.24295	0.4
342.22827	0.6
360.23807	0.7
378.08917	0.5
378.13910	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
57.03416	1.0
58.40382	0.5
61.02923	1.2
69.03423	2.1
70.06607	0.7
70.78917	1.7
70.79295	0.8
70.99582	0.7
73.02898	0.9
77.79548	0.5
78.27598	0.5
81.03407	2.2
85.02903	8.5
91.05476	8.6
93.07049	8.4
95.04980	1.4
97.02914	2.7
97.96852	0.6
103.05453	4.2
105.04514	0.6
107.04918	0.6
109.02869	0.5
110.03642	0.5
112.02161	3.1
119.04929	2.1
120.05717	1.5
121.06511	12.8
125.06023	0.6
127.03910	2.4
127.45751	0.6
130.03210	3.5
132.51430	0.6
137.05972	2.1
138.06735	1.6
145.04971	1.4
147.04349	1.1
148.05141	1.8
149.05988	4.3
151.03903	1.1
153.05414	1.2
166.06242	10.4
167.07004	0.6
181.08594	100.0
181.28102	0.6
182.08932	1.2
184.07329	1.0
189.13341	0.6
199.09659	74.1
200.10034	0.6
209.08078	1.0
211.09790	0.8
223.09570	0.9
234.75354	0.5
255.09056	0.5
255.40315	0.7
307.11810	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01861	0.8
55.05514	8.5
55.98335	0.3
56.05027	0.7
57.03430	0.5
57.86968	0.2
60.04517	1.2
61.02921	0.7
65.16056	0.3
67.05464	0.3
67.58370	0.3
68.05009	0.3
68.99763	0.3
69.03432	3.4
69.70374	0.8
69.70781	0.6
70.06581	1.2
71.04993	0.5
72.08144	0.7
73.02913	0.4
81.03431	2.4
81.07072	0.3
84.08153	2.3
85.02909	7.3
86.09718	0.3
87.00833	1.9
91.05473	1.2
93.07027	0.5
94.04189	0.3
97.02887	1.7
98.06033	0.8
99.04463	0.9
103.05479	1.2
105.01860	0.6
109.02882	1.8
112.02196	0.6
112.07612	27.8
115.43601	0.3
115.67189	0.3
117.07075	0.4
119.04947	0.8
121.06496	0.6
127.03920	2.5
130.08646	100.0
131.04994	0.6
131.08914	0.4
137.05984	29.1
145.04965	1.0
147.03345	0.3
147.04416	1.8
147.40819	0.3
151.07544	0.5
159.02914	0.4
163.07581	1.0
166.61029	0.3
167.07066	0.3
181.08594	7.6
187.47171	0.3
191.07133	0.3
199.09695	1.5
231.05035	0.5
342.22778	0.8
360.23953	0.7
378.14044	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.6
55.05504	6.1
57.07071	1.9
59.05001	1.6
61.00059	1.4
61.01153	6.6
65.03943	1.4
67.05509	11.2
69.03432	3.2
69.07072	26.2
69.47163	9.5
71.04603	2.4
71.04995	44.0
72.08159	3.1
73.06558	21.1
79.05495	9.7
81.03425	4.2
81.07059	39.4
83.04980	3.2
83.08623	4.3
84.08133	1.5
85.02898	2.0
85.06544	4.8
86.06065	5.0
86.82169	1.5
87.02718	2.2
91.05480	7.7
93.07063	18.7
95.04959	5.9
95.08613	21.2
97.06534	11.5
99.04474	1.9
99.08096	4.3
102.03762	1.6
103.05497	1.5
105.07022	11.1
107.08594	16.0
109.02915	2.7
109.06515	4.3
109.10155	24.0
109.10838	2.3
111.08086	4.0
111.11713	2.3
113.06000	2.4
115.07574	100.0
117.07026	2.2
119.08572	10.9
120.04775	1.9
121.06487	1.7
121.10141	8.3
123.11708	4.8
123.79874	1.4
127.03911	1.5
127.11259	1.9
131.08585	3.2
133.10136	10.1
135.08073	2.9
135.11719	9.4
137.09605	4.9
137.13327	2.5
142.08690	3.7
143.08594	2.7
145.10118	7.3
147.11720	4.7
149.07426	4.6
149.13255	2.7
153.12749	55.1
153.13956	2.9
155.10651	1.8
157.10124	4.2
158.10020	3.0
159.08359	7.3
159.11714	3.7
161.13272	2.5
169.12276	1.4
171.11697	3.5
171.13818	5.4
172.10849	1.4
173.13249	3.2
187.14792	2.6
189.16411	2.1
203.17909	2.2
213.16371	8.1
229.13722	6.5
231.17455	8.2
247.14760	17.9
249.18509	9.3
255.18260	1.7
267.19547	8.7
289.47635	1.5
305.24817	3.5
359.19742	7.9
378.19308	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	377.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.2
55.05515	22.7
57.03439	5.3
57.07076	5.6
61.01132	6.6
67.05514	39.8
67.93929	3.7
69.03439	8.6
69.07078	36.8
69.35993	30.0
70.06572	5.1
71.04987	14.9
73.26380	4.5
78.03789	4.0
79.05492	25.4
81.03419	6.7
81.07061	100.0
83.04961	14.3
83.08630	9.7
84.08113	5.4
85.02892	11.6
85.06548	42.8
86.06063	6.1
91.05488	23.0
93.07059	50.1
95.04981	28.1
95.08618	52.3
97.02871	4.6
97.06549	9.7
97.10208	6.5
97.64628	3.8
99.04423	5.6
99.08085	12.1
102.03794	5.5
105.07039	32.5
107.04990	4.4
107.08607	44.8
109.06503	12.0
109.10171	48.1
111.08061	11.5
111.11724	7.3
113.09618	5.3
115.07571	3.8
117.06982	7.6
119.08587	21.8
121.10152	49.0
123.08092	8.1
123.11726	35.9
125.09616	13.8
127.03912	5.7
127.07580	7.6
127.11137	4.8
131.08507	7.1
133.10173	20.8
134.06007	4.2
135.08075	5.0
135.11707	24.8
137.05937	4.8
137.09566	4.6
137.13280	7.6
139.11142	11.1
145.10138	14.5
146.19173	4.4
147.11652	14.2
149.07448	6.0
149.09610	4.8
149.13313	20.2
153.12730	14.7
156.29752	4.2
157.10030	4.8
157.12260	4.5
159.08351	12.9
159.11742	9.8
161.13266	9.7
163.11172	5.9
165.12752	6.9
167.06966	4.8
171.13803	13.9
173.13298	7.0
175.14815	5.3
177.16382	9.4
179.14316	7.0
181.08565	5.0
181.12228	12.0
183.13824	7.5
187.14847	6.6
197.15323	4.4
201.16447	5.5
207.49466	4.3
211.16940	13.8
213.16420	5.7
229.13657	11.4
247.14793	26.7
271.10178	3.8
275.23691	4.8
287.23660	9.1
305.24811	12.5
323.25665	8.9
331.16586	4.0
336.55014	4.0
359.20035	14.7
393.50464	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	377.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	8.2
55.05497	23.9
57.07080	8.2
67.05498	25.6
69.07076	53.3
70.92738	17.8
71.08627	7.6
79.05489	48.3
81.07050	74.7
83.08645	14.8
88.29348	7.4
89.06014	26.0
91.05473	50.6
92.89895	6.7
93.07036	67.0
95.04965	55.8
95.08610	63.1
97.06512	15.4
103.05466	7.3
105.06396	9.6
105.07040	100.0
107.08582	43.2
109.06498	18.5
109.10183	37.4
117.07020	15.5
119.08560	76.0
121.06503	16.8
121.10127	39.2
123.11707	15.5
129.06963	7.4
131.08578	27.0
133.10133	49.2
135.11703	14.2
137.13272	13.5
142.07718	11.5
143.08548	32.9
145.10123	41.6
147.11696	24.5
156.85231	8.7
157.10132	56.7
159.11699	42.8
161.09653	14.5
161.13283	14.5
167.21408	7.2
169.10095	12.4
171.11664	20.5
173.13240	11.9
175.11176	13.9
175.14822	16.5
177.16359	17.5
183.11826	9.9
185.13274	17.8
187.11229	9.8
187.14783	11.9
195.12247	16.2
199.14903	14.7
203.17941	11.0
209.13130	11.6
223.14755	13.1
243.20987	7.8
377.28186	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	377.1457
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
53.03944	2.1
55.01854	0.5
57.03241	0.5
57.03444	6.0
61.02934	2.7
66.00816	0.5
69.03079	1.0
69.03438	12.0
69.81329	3.3
71.01352	2.5
71.04990	2.5
73.02922	2.3
75.04486	1.8
76.56919	0.5
77.64733	0.5
81.03429	3.8
99.04456	4.8
114.96257	0.6
117.05511	0.7
120.59909	0.5
120.85573	0.5
132.32848	0.5
137.05966	3.0
138.06361	1.3
145.07597	1.6
159.09227	0.7
168.06390	0.5
170.07182	0.9
172.08713	23.5
189.11595	0.6
190.09830	0.8
198.06635	6.2
200.08218	5.1
200.69969	0.6
214.09962	0.5
216.07703	12.9
218.09547	0.6
243.08797	64.7
244.07213	1.1
316.12912	0.7
359.13754	2.7
377.14587	100.0
378.14932	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52095	0.5
52.87275	0.4
53.03938	1.1
55.01870	0.8
56.96567	7.0
57.03428	1.4
58.99906	0.5
61.02935	3.0
61.75433	0.4
69.03423	2.7
69.62555	0.8
69.62966	2.1
70.06595	1.0
70.98125	0.7
72.08154	1.0
73.02911	1.4
75.04432	0.5
81.03407	1.9
82.66276	0.4
84.08159	1.2
84.96037	0.7
85.02909	6.1
86.09697	1.0
87.04469	0.7
91.03942	0.7
91.05479	3.4
92.45071	0.5
93.07048	4.5
95.04981	0.7
97.02894	4.0
97.99199	0.6
98.97588	8.5
99.04464	0.8
101.00909	0.6
102.05614	0.6
103.05467	3.5
109.02891	0.6
110.97564	3.1
112.99137	0.8
115.02538	0.6
116.00234	0.8
116.98653	2.5
117.05489	0.4
119.01877	1.6
119.04908	0.8
119.92242	0.4
121.06509	100.0
124.99102	0.6
127.03934	2.0
128.00195	0.7
128.98611	2.0
131.00140	0.7
131.01921	0.8
133.03496	0.6
135.42279	0.5
138.09146	30.5
143.00160	1.0
143.01894	0.7
145.01714	0.8
145.03476	0.7
145.04979	1.3
146.01259	1.0
146.99681	0.9
147.04370	2.4
148.03850	1.2
153.04074	0.6
154.01741	1.0
154.03935	0.7
154.96500	0.6
155.04654	0.6
156.03500	0.5
157.02550	0.6
158.99663	1.8
161.01230	0.7
161.02940	0.7
163.02724	0.6
163.04398	1.1
168.03461	0.9
168.98119	0.6
170.04918	0.8
170.99678	0.7
172.02861	2.4
172.97607	0.6
173.01309	0.8
173.02951	0.6
174.00743	0.8
175.02736	0.7
177.00693	0.6
183.04134	0.5
184.03012	0.6
185.01343	0.6
185.03029	0.7
186.04405	1.1
188.05943	1.1
189.00760	1.2
189.02435	0.5
190.03886	1.5
191.02374	0.7
196.02831	0.9
201.00737	1.0
201.02542	0.6
205.05647	0.7
206.02840	0.5
206.07057	2.4
206.08696	0.7
214.03944	1.5
214.07198	0.9
215.13959	0.6
219.01767	3.1
219.05360	0.6
221.05238	0.6
224.07986	2.4
230.07010	0.6
232.04880	1.2
237.02855	2.5
241.00351	0.8
242.03642	1.5
245.05286	0.7
246.08369	0.7
248.07887	0.7
253.07832	0.8
256.04913	2.4
257.05884	1.1
258.04987	0.9
262.05731	0.8
264.06876	1.0
274.06073	1.1
276.07559	2.1
279.07166	0.7
300.07333	0.5
302.05518	1.4
316.07025	2.8
316.10419	0.5
334.08063	3.7
334.11575	0.6
335.06451	0.8
353.08948	1.1
358.07648	0.6
371.13815	1.5
376.09012	2.6
376.15359	0.6
377.19345	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.9
55.01884	19.8
55.05516	100.0
57.39254	2.7
67.05517	21.6
69.07074	18.2
70.54427	3.0
79.05501	19.7
81.03407	11.5
81.07061	33.7
83.04967	6.5
83.08621	43.5
91.05473	32.2
93.07063	18.3
95.08621	21.2
96.42831	2.9
97.06548	36.8
105.07041	50.8
107.04953	12.1
107.08583	12.0
109.06514	4.9
109.10168	4.1
117.07005	7.2
119.08573	23.4
121.10142	7.0
123.11781	3.9
131.08588	11.9
133.10162	24.3
135.11771	3.6
139.29082	3.3
143.04684	3.4
145.10126	9.8
147.11703	11.3
149.09637	5.6
149.13254	4.1
159.11739	8.7
161.13266	5.2
169.10185	3.0
173.13231	5.8
179.14343	10.7
257.18924	6.8
275.20090	78.5
275.22733	2.7
290.73352	3.4
293.21078	5.8
375.28708	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	376.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.8
61.02916	2.4
66.91562	0.5
69.03436	5.1
70.71439	0.5
71.05007	0.6
71.38555	0.8
73.02908	1.3
81.03425	2.7
85.02912	21.6
87.04465	0.6
91.03953	1.6
91.05474	1.0
97.02897	6.9
99.04442	1.2
105.07086	0.6
109.02875	1.9
119.04931	0.6
121.83430	0.5
122.03661	0.7
127.03947	3.5
137.05981	100.0
145.04984	6.5
147.04462	0.8
151.07562	1.2
162.07526	0.6
163.06088	0.7
179.07040	39.0
180.08647	2.2
197.08086	7.6
214.10849	1.1
376.12567	0.8
377.17477	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.9
55.01866	2.7
55.05517	100.0
63.41197	1.4
67.05511	15.1
69.07066	3.9
69.51083	10.2
70.06590	4.1
71.04996	10.3
79.05505	14.1
81.03407	1.6
81.07063	12.7
83.08624	55.2
86.00437	1.3
87.23805	1.5
88.07619	5.3
89.07930	1.7
90.88329	1.6
91.05484	20.8
93.07053	15.2
95.04958	3.4
95.08626	13.1
97.06541	7.3
97.10187	2.3
102.09177	2.7
104.33555	1.5
105.07053	14.3
107.08593	8.2
109.10166	4.2
111.08030	1.5
117.07035	6.0
119.08590	12.3
121.10163	13.3
123.08066	4.0
131.08583	16.5
133.10127	13.8
135.11694	6.2
137.09644	5.1
143.08536	2.5
145.10135	9.6
147.11693	6.3
149.09602	2.2
157.10117	4.3
159.11752	5.5
161.13264	4.1
171.11700	6.3
173.13251	2.4
178.87888	1.5
187.14781	1.9
191.14363	1.6
197.13223	1.8
239.17949	4.2
249.18425	1.9
257.18942	7.0
275.20081	25.7
283.71072	1.6
293.21100	3.6
313.33005	10.3
313.52023	1.6
331.26337	1.5
345.27853	2.9
357.27997	15.5
375.29114	16.5
375.36639	30.3
382.31549	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.0
55.05515	28.0
55.81931	4.0
57.07080	7.2
57.29453	3.7
59.93638	5.2
62.22838	4.6
65.03955	5.8
67.05517	32.0
69.07051	16.2
71.05026	3.7
71.08630	4.0
71.50750	3.6
71.54520	7.7
79.05499	39.1
79.09242	4.0
81.03455	4.1
81.07065	47.6
83.08613	7.3
91.05482	57.3
93.07057	79.7
95.04983	38.0
95.08612	46.4
97.06522	11.6
98.60767	4.3
103.05487	7.6
105.07037	100.0
107.08586	55.1
109.06561	10.8
109.10167	29.5
114.70390	4.6
115.05441	5.8
117.07014	17.9
119.08588	74.1
121.06512	17.1
121.09347	4.8
121.10155	77.7
123.08053	10.2
123.11693	6.7
128.06189	8.9
129.06961	15.7
130.07762	6.2
131.08595	54.8
133.06337	4.0
133.10152	50.5
135.11696	11.8
141.07025	8.6
142.07761	15.7
143.08549	29.4
144.09344	10.5
145.10129	72.2
147.11722	27.3
155.08562	12.2
156.09364	9.9
157.10132	42.6
159.08139	4.2
159.11707	33.7
160.08841	4.7
161.09619	10.8
161.13243	4.6
169.10120	15.7
171.11681	17.1
173.13222	21.4
175.11168	7.2
175.14801	13.7
180.09448	5.9
181.10162	10.7
183.11667	15.4
185.13295	11.4
187.11143	10.2
187.14769	14.5
195.11710	13.3
197.13312	9.7
199.14867	7.6
201.16342	5.6
204.84624	4.6
207.11671	5.4
209.13228	12.7
211.14735	7.5
223.14874	6.2
235.14729	8.3
253.19496	8.4
319.20648	4.2
357.25861	5.6
375.26794	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	375.2379
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03940	0.9
55.01870	2.8
55.05509	5.0
57.03422	1.9
57.07072	0.5
61.02932	0.7
64.68633	0.4
65.03950	0.6
67.05501	3.4
69.03420	3.1
69.06721	0.8
69.07069	9.3
71.04996	3.1
71.08619	0.5
71.53957	0.4
72.08171	0.5
79.05497	5.0
81.03429	3.4
81.07055	12.8
83.04978	0.8
83.08622	5.7
85.02907	6.9
85.06540	3.6
87.00835	0.7
91.05480	5.6
93.07047	11.2
95.01328	0.7
95.04963	2.2
95.08611	24.0
97.02892	1.7
97.06551	0.6
97.10165	3.5
99.04465	0.5
99.07487	0.8
99.08097	11.3
102.79671	0.5
103.05466	0.5
105.01852	0.6
105.07041	3.5
107.04950	1.5
107.08601	25.5
109.02892	3.7
109.10160	5.9
111.04438	0.9
111.08084	6.3
113.09653	1.4
115.05447	0.6
117.06982	0.9
119.04914	0.7
119.08596	2.3
121.02896	0.9
121.06498	0.8
121.10148	42.4
123.08113	0.5
123.11738	2.3
125.09641	5.1
127.03912	2.1
129.07024	1.0
131.04933	0.9
131.08600	0.7
133.06485	1.4
133.10143	0.8
135.04346	0.7
135.11707	8.9
137.05992	0.8
137.13260	4.6
139.03909	15.7
139.11171	1.3
145.04976	1.4
145.10175	0.7
147.04417	1.0
149.13290	2.9
151.03828	0.5
157.10176	0.7
161.06020	1.3
163.03877	3.1
163.11238	0.8
166.05046	0.6
167.07063	1.0
171.08043	0.6
173.05991	1.4
174.61288	0.5
177.16391	100.0
178.16838	0.6
179.03352	0.6
180.04163	1.8
183.02849	0.6
187.07574	0.9
189.05452	1.0
190.05000	0.8
195.06560	2.8
195.17456	19.7
198.05231	0.8
213.07582	9.9
213.18504	35.5
232.05305	0.6
241.08672	0.7
267.26761	0.5
273.14743	2.4
283.13361	1.1
286.71536	0.5
301.14362	4.4
357.13583	0.9
357.17212	0.6
364.82629	0.5
375.14093	0.8
375.18085	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	375.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
54.51122	0.9
55.01863	3.0
55.05498	2.0
56.21225	1.2
57.03420	3.2
57.20464	1.1
61.02921	2.1
67.05502	2.3
69.03430	12.9
70.06593	3.2
70.75247	1.1
70.75607	3.1
71.04971	2.4
72.08160	2.7
73.02901	3.4
74.26702	1.2
79.05495	2.3
81.03416	10.4
81.07062	3.0
83.04972	1.2
84.04500	2.1
84.08129	2.6
85.02911	27.5
86.09715	9.6
87.00832	8.7
91.05482	7.2
93.07042	4.3
93.22073	1.0
95.04984	1.3
95.08596	1.1
97.02891	18.5
97.06501	1.4
99.04450	4.6
105.01893	5.1
105.07020	6.0
107.04989	1.1
107.08593	8.4
109.02881	8.5
109.06491	2.8
117.01849	1.4
119.08579	13.9
121.02876	1.3
121.06539	1.0
121.10136	3.3
123.08084	1.7
127.03922	100.0
129.10258	1.4
131.08565	3.7
132.95859	1.5
133.10132	1.6
135.08008	1.7
137.05978	4.7
137.09650	1.8
145.02913	2.6
145.04945	8.5
147.04384	2.5
147.08060	5.0
148.04681	1.2
149.09618	6.6
153.05481	1.3
158.05882	1.1
158.97430	1.7
159.02936	5.6
159.08049	2.1
161.05922	1.1
165.05467	1.1
165.09102	6.6
167.04596	1.0
167.07080	1.8
167.10693	2.4
175.03868	1.3
177.05443	4.3
177.09096	4.4
179.06000	1.9
193.96924	1.0
195.10161	6.4
213.11221	60.9
228.17883	1.3
237.02847	1.1
249.31425	1.1
267.69345	1.2
277.00027	1.7
316.08484	1.2
331.13599	2.3
343.09756	1.4
375.12042	10.4
375.16251	5.3
375.20715	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	374.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.3
55.01865	0.2
57.03439	0.4
59.19859	0.2
60.43815	0.2
61.02936	1.0
67.05511	0.3
69.03427	1.8
70.68018	0.4
71.05001	0.3
73.02918	0.5
81.03400	0.7
85.02906	7.7
91.03949	0.7
91.05490	0.5
94.04153	0.3
95.04956	0.2
97.02901	2.8
99.04453	0.3
109.02869	0.6
109.66104	0.2
110.46581	0.2
122.03656	1.5
127.03939	1.5
137.05980	100.0
138.06326	0.9
138.09906	0.3
145.04936	2.1
147.04356	0.3
177.26604	0.2
180.08679	0.8
185.76112	0.3
194.16272	0.5
195.08376	0.3
195.10168	6.0
212.12910	0.5
212.17178	0.2
240.96437	0.2
299.40540	0.2
301.03888	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	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.6
55.01875	11.0
55.05517	1.7
57.03434	8.1
61.02920	7.1
62.86684	1.7
68.99777	3.3
69.03432	33.0
70.06623	3.7
70.70274	3.1
70.70638	3.5
71.04987	7.6
72.08157	2.8
73.02916	10.8
79.05496	2.5
79.52245	1.6
81.03427	28.9
81.07043	4.6
85.02909	100.0
86.09707	3.2
87.00834	39.1
91.03956	3.4
91.05495	1.9
93.07057	3.8
97.02296	2.8
97.02898	46.7
99.04461	19.1
103.03948	2.5
105.01875	44.4
105.07046	3.4
107.08583	2.8
108.04523	8.3
109.02889	39.5
109.06525	4.5
109.10143	3.2
109.45310	2.0
117.01875	4.8
119.08558	2.9
121.10094	2.7
126.05508	6.3
127.03926	97.1
129.01836	5.0
130.06584	1.9
133.10133	2.6
135.11740	2.1
136.12021	2.3
137.06020	1.8
139.03935	5.9
145.04962	62.7
147.02893	5.0
159.02893	28.0
163.75369	1.8
175.07538	3.7
176.15179	2.7
177.03937	2.6
177.16431	3.8
189.03960	5.2
212.17038	1.6
213.03928	4.2
213.07578	6.9
217.08667	4.4
222.63702	1.7
230.06644	3.3
231.05020	22.8
248.07722	5.1
249.06091	4.9
374.19324	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	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93460	1.2
55.01877	1.6
56.24999	1.3
57.03425	3.4
61.30126	1.1
64.21616	1.3
65.03929	2.0
66.63863	1.2
69.03434	21.3
70.37565	5.1
71.04987	4.2
71.12069	1.4
81.03433	10.5
81.07051	2.7
84.04504	3.0
84.08153	2.4
85.02911	22.5
86.09695	9.4
87.00836	14.3
91.05489	100.0
91.85221	1.3
95.04948	2.5
97.02297	2.3
97.02899	35.9
99.04441	9.7
105.01881	13.8
108.27523	1.5
109.02862	3.9
109.10166	3.5
110.10457	1.8
110.91063	1.5
119.04936	6.0
120.48772	1.6
127.03931	38.1
132.10231	3.7
137.05986	54.4
137.09560	2.3
145.04979	30.9
147.04427	27.2
193.15889	1.8
194.16225	4.2
195.10210	2.4
201.05537	1.6
212.03880	1.7
212.12711	2.5
213.04124	2.4
231.05029	23.0
247.88652	1.3
249.06046	11.1
314.11978	3.2
326.11084	1.8
374.14304	5.6
374.18765	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44508	0.6
57.03423	2.9
66.75840	0.6
70.86842	1.5
71.01350	4.0
73.02926	5.2
74.37062	0.6
75.82430	0.6
78.03454	4.2
80.05018	3.5
81.50977	0.5
85.02911	10.0
88.18453	0.6
91.05481	2.4
92.27837	0.7
92.86264	0.6
95.01332	6.2
96.04515	1.3
96.27601	0.6
97.02879	1.6
99.00826	0.8
101.02386	2.1
103.03947	0.9
106.02917	19.0
113.02386	6.0
119.04932	5.6
124.03958	100.0
126.05537	0.8
131.03415	2.0
141.01839	9.8
147.04413	21.7
159.02878	2.4
180.06561	16.9
198.07622	91.7
199.07947	0.7
212.09204	2.2
212.14795	0.7
374.06415	1.1
374.10831	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	373.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.01871	3.9
55.05507	5.4
57.03428	4.9
57.07085	2.0
61.02927	4.9
67.05511	11.0
69.03433	11.5
69.07058	8.2
69.42961	8.3
70.06591	4.1
71.04992	4.7
73.02926	1.6
79.05496	8.4
81.03415	7.0
81.07059	20.9
83.04986	2.7
83.08687	1.3
84.08144	2.6
85.02908	34.3
85.06551	4.6
86.09713	2.7
87.04443	2.2
91.03955	1.4
91.05481	10.8
93.07055	19.2
95.04964	7.0
95.08612	28.5
97.02895	11.0
97.06529	4.2
97.10138	1.5
99.04478	2.9
99.08099	7.5
100.11254	2.0
101.06014	1.2
103.05470	1.2
105.07038	25.7
105.07694	2.1
107.04978	3.3
107.08599	20.6
108.04510	1.3
109.02872	4.0
109.06535	3.6
109.10165	19.1
111.08105	4.6
113.09639	3.2
116.07118	1.3
117.07075	1.6
119.08584	68.1
121.10148	7.5
123.08082	3.8
123.11752	5.9
125.00027	1.2
125.09641	1.5
127.03896	7.4
131.04956	1.5
131.08565	2.6
133.09125	2.9
133.10136	59.9
135.08047	2.0
135.11700	27.7
137.05983	3.1
137.09647	7.9
139.11154	2.1
140.07068	1.3
144.08180	1.3
145.04964	3.6
145.10170	2.3
147.11671	6.7
149.09621	1.9
149.13245	3.7
153.12772	1.2
155.10666	3.3
163.07573	3.4
163.14891	1.5
167.07094	3.0
175.14833	100.0
182.15414	1.5
193.15898	16.8
201.05548	1.9
202.15985	4.1
210.14903	1.5
211.08678	2.7
211.16946	20.4
220.16988	11.7
225.10251	2.5
228.15843	1.9
230.15359	1.5
267.11365	2.8
268.21259	1.2
300.13635	1.3
313.11743	7.6
319.22797	2.3
341.11234	1.5
373.14047	19.8
373.18542	4.9
374.17584	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	373.2222
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
51.40327	1.1
55.01882	1.7
55.05511	7.9
57.03430	2.4
61.02923	2.9
62.19429	1.0
64.87217	0.8
67.05508	18.9
69.03428	2.7
69.07048	1.3
69.63552	4.8
69.63963	1.5
71.04996	1.6
79.05470	1.9
81.03420	1.5
81.07063	7.5
83.04988	18.7
83.08616	1.7
85.02911	11.2
91.05486	2.3
93.07045	3.8
95.04370	2.5
95.04974	44.7
95.08611	10.1
97.02902	4.1
99.04464	1.7
99.08091	6.0
101.05961	1.1
105.07050	2.2
107.08596	4.6
109.06551	5.6
109.10165	82.8
116.97935	1.3
119.08594	4.2
121.10139	4.9
123.08104	1.6
123.11699	4.6
127.03925	2.0
133.10123	3.8
135.08096	2.1
135.11694	4.3
137.09627	69.3
143.73975	1.1
145.05002	1.5
151.11198	1.2
155.10712	11.2
161.09633	2.4
165.16364	3.7
175.14836	2.6
177.05449	1.1
179.16132	1.0
193.15894	100.0
211.16959	31.7
217.15895	4.5
219.06635	1.1
235.16933	3.4
253.18037	1.7
315.65109	1.0
319.19107	2.6
337.20102	4.2
355.62000	1.0
373.18222	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	373.2222
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
53.03932	1.5
55.01868	2.4
55.05509	9.0
57.03438	3.0
57.07079	1.8
61.02919	2.2
65.03918	1.4
67.05509	22.3
69.03435	7.1
69.07063	3.4
69.54372	1.0
70.16723	2.0
70.17113	1.8
71.04987	1.8
79.05488	3.7
81.03429	5.9
81.07056	11.1
83.04492	1.2
83.04988	23.5
83.08603	1.6
85.02910	18.9
85.06570	2.1
87.04478	1.3
89.99277	0.9
91.03959	1.3
91.05485	4.3
93.07038	7.3
95.04976	60.2
95.08607	12.3
97.02886	6.0
97.06545	2.4
98.20716	1.2
99.04462	1.9
99.08077	6.5
103.05537	1.3
105.07036	4.1
107.04985	1.7
107.08594	9.0
109.02879	2.4
109.06551	5.6
109.10160	68.8
111.08089	1.7
115.05474	1.0
119.08572	8.4
121.10136	5.9
123.08059	1.8
123.11723	4.6
124.49133	1.1
127.03916	3.1
129.07005	1.2
131.08620	2.4
133.06345	1.0
133.10161	9.9
135.08080	3.5
135.11694	5.8
137.06003	4.8
137.09622	70.3
145.05013	1.9
145.10201	1.2
147.04356	1.1
147.08023	1.6
147.11736	2.6
148.97623	1.1
149.09717	1.7
149.13255	1.6
151.03906	1.3
151.11179	1.6
153.05481	1.5
153.09079	2.4
153.12772	1.0
155.10667	15.2
161.09569	1.8
163.07515	2.5
165.16385	4.5
167.06996	2.6
173.13226	1.1
175.07588	1.4
175.14873	6.4
177.09103	1.4
179.10701	1.2
193.15891	100.0
194.16245	1.5
197.11734	2.2
201.05440	1.9
211.16951	31.6
216.11551	0.9
217.15868	3.0
235.16956	3.5
239.06898	1.3
263.12802	1.2
281.13831	3.0
293.08289	1.1
295.18924	1.3
313.11514	4.0
319.18945	1.6
319.43246	1.3
337.20163	4.5
343.11688	2.3
355.21130	1.2
373.13742	7.2
373.18481	4.4
373.22437	1.7
396.62253	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
54.40332	0.5
55.01864	1.1
55.05506	2.7
61.02922	1.9
65.03944	0.6
67.05512	3.3
69.03430	3.0
69.07071	4.0
70.66061	0.9
70.66417	1.3
71.04989	2.2
73.02914	0.9
77.26189	0.6
79.05482	2.0
79.57224	0.5
81.03406	1.9
81.07063	9.8
83.08598	0.7
85.02915	12.8
87.85840	0.5
91.03973	0.8
91.05493	4.3
93.07054	6.4
95.04963	1.0
95.08618	15.2
97.02903	3.7
99.04465	0.8
99.08087	5.5
105.07037	11.4
107.08606	10.9
109.02885	1.2
109.10164	3.6
113.09642	2.3
117.07067	0.9
119.08591	46.8
120.08864	0.8
121.10123	1.6
123.08111	0.5
123.11691	2.9
127.03914	2.7
131.08539	1.3
133.10143	56.9
135.11707	11.8
137.09599	2.0
145.04971	1.8
145.10117	1.3
147.11728	2.7
149.02359	1.4
149.13246	0.7
153.12776	0.6
173.13246	0.7
175.14838	100.0
176.15202	1.0
184.18095	0.6
193.13394	2.4
193.15884	10.0
211.14474	4.2
211.16962	7.0
232.77115	0.6
373.09467	0.7
373.14374	2.0
373.24792	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2221
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
53.03946	1.7
53.31528	1.2
53.82891	1.1
54.85674	1.1
55.01860	1.7
55.05510	7.1
57.03424	1.4
67.05511	16.3
69.03419	5.7
69.07060	2.3
69.72894	3.8
69.73290	2.0
71.04997	2.7
74.12186	1.0
79.05489	2.8
81.03429	4.0
81.07053	6.7
83.04984	21.7
83.08596	1.3
85.02905	18.1
91.03944	1.5
91.05474	4.5
93.07038	4.8
95.04975	60.8
95.08610	9.6
97.02906	7.2
97.06516	2.2
99.08083	3.9
105.07006	1.9
107.04971	1.4
107.08582	5.4
109.02879	2.9
109.06514	5.6
109.10161	74.1
114.99206	1.4
119.08580	2.2
121.10163	6.1
123.11691	4.1
127.03924	3.6
131.08466	1.6
133.10110	4.8
135.08072	3.9
135.11684	2.6
137.05988	32.6
137.09619	72.7
145.04964	4.8
151.07632	1.1
155.10709	13.4
161.09605	1.4
165.16380	3.9
171.14487	1.2
175.14777	1.9
179.10744	1.5
193.15887	100.0
195.10080	2.1
197.11661	2.4
211.16969	27.7
212.31819	1.2
217.15865	2.5
235.16942	2.7
258.81543	1.2
281.13837	1.5
299.14761	1.4
304.43396	1.4
319.18893	1.6
337.20001	4.0
355.10513	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
53.34570	1.4
55.05514	8.4
57.03421	2.6
61.02914	2.8
64.79005	1.2
65.03912	1.8
65.96748	1.1
67.05507	22.5
69.03440	9.4
69.07069	4.1
69.75172	1.4
71.04997	3.4
71.23098	2.1
71.23428	1.5
79.05466	4.7
81.03403	3.7
81.07053	11.9
83.04980	21.2
83.08608	3.6
84.08144	1.9
85.02913	23.9
85.06542	2.9
86.09691	1.8
89.03943	2.4
91.05480	2.7
92.27937	1.4
93.07041	9.2
95.04976	44.7
95.08607	18.8
97.02919	8.1
99.04466	3.8
99.08096	53.4
101.28805	1.3
105.07085	3.1
105.54250	1.3
107.08586	10.4
109.02886	2.4
109.06521	5.8
109.10160	85.1
113.71396	1.2
117.03355	6.7
119.08583	8.2
121.10158	7.8
123.08048	1.8
123.11716	5.7
125.09648	2.1
127.03931	4.3
129.10257	1.5
133.10106	7.0
135.08076	2.6
135.11684	14.4
137.09625	73.2
145.02844	13.4
145.05003	2.9
149.06010	2.3
151.11197	2.1
155.10674	18.5
161.09595	1.9
164.20052	1.4
165.09096	1.5
165.16425	5.1
175.14752	8.1
177.05475	24.3
193.15891	100.0
200.55214	1.3
211.16933	51.5
217.15860	2.9
235.16934	2.7
281.13788	2.1
337.20148	3.1
373.22357	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	373.2223
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
53.03965	3.9
55.05505	10.5
57.07086	4.3
59.19789	4.1
61.30798	3.8
62.44377	3.4
65.03928	3.6
67.05521	18.4
68.94234	3.8
69.03439	17.8
69.07079	11.8
69.45904	25.8
71.05001	6.7
71.51556	3.4
73.73951	3.8
79.05506	7.8
81.03439	4.5
81.07069	25.4
83.04983	12.3
83.08627	11.6
85.02905	39.2
85.06559	9.6
87.04366	3.5
91.05476	7.0
92.04016	3.9
93.07063	18.3
95.04984	10.9
95.08620	36.9
97.02896	8.3
97.10168	4.1
99.04448	6.8
99.08112	22.2
105.07034	9.7
107.04934	4.2
107.08603	19.6
109.02892	4.2
109.06528	8.1
109.10162	89.1
111.08099	4.7
119.08601	40.6
121.10167	16.1
123.08069	14.7
123.11689	12.4
127.11195	4.1
127.59818	4.4
133.10136	21.1
135.11703	92.1
137.06012	6.0
137.09662	24.7
138.72957	3.9
145.04959	4.3
147.11685	4.2
148.71141	3.5
149.13295	9.7
149.98669	4.0
151.11246	6.6
151.14825	13.2
153.12787	10.6
155.10637	4.2
156.99641	4.1
157.06424	4.9
165.16354	4.2
167.07047	18.5
170.25204	3.8
175.14836	50.9
193.15904	76.8
211.16963	100.0
233.15369	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	373.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74478	0.8
55.98172	1.0
56.96307	0.7
56.96568	10.6
57.03427	0.9
58.06568	1.0
61.76590	0.6
67.05491	0.8
69.03439	3.8
69.07051	0.7
70.06567	2.3
70.08408	0.6
70.08748	3.1
70.71717	0.6
71.05000	0.9
71.81121	0.7
73.02877	1.2
81.03404	1.9
81.07047	1.1
81.73562	0.7
83.97641	7.1
84.08129	2.8
85.02914	5.8
86.09676	2.6
91.05441	2.2
95.06075	3.3
97.02905	3.4
98.97578	5.2
99.34439	0.7
99.97083	1.1
101.00906	0.8
106.02930	1.5
107.04931	1.0
109.02869	1.0
110.97540	1.4
112.07596	2.6
113.07118	4.4
117.98146	0.9
119.04979	3.7
124.03969	7.5
126.05581	1.2
126.06560	0.7
127.03912	1.7
128.00215	24.2
128.98570	1.2
130.08626	2.4
136.06143	1.0
137.98615	3.0
138.05499	0.7
139.03864	0.9
142.01770	2.2
142.89343	0.7
143.00189	0.8
145.02812	1.6
145.04942	1.4
146.01260	39.4
146.99619	0.7
147.04420	11.7
148.04610	0.8
155.99675	6.9
156.03384	1.7
157.09778	1.3
158.01370	0.7
158.99652	1.5
160.02774	2.4
162.96817	0.7
163.03964	1.3
164.02328	38.0
168.03386	1.3
170.04890	2.0
174.00764	9.5
174.04398	1.5
177.00734	1.1
177.05466	3.1
180.06590	2.0
182.02226	0.7
182.03415	7.9
186.04388	11.5
187.03957	0.8
188.05933	0.9
190.03873	2.2
190.07335	1.2
192.01779	2.6
196.02805	5.9
198.07664	5.3
201.53860	1.2
202.00206	5.7
204.03629	1.5
204.05467	26.0
204.07372	1.4
208.04918	0.9
210.54436	0.8
211.14429	14.6
213.05431	1.3
214.03876	22.1
217.04649	1.8
219.01700	2.5
220.01288	3.7
222.06593	5.5
222.10197	1.4
226.03862	2.2
232.04897	5.0
237.02791	1.8
244.04936	35.6
257.08182	2.5
258.06427	1.2
262.06003	100.0
267.06598	2.1
275.09198	2.2
276.07544	0.8
280.06998	6.1
285.07529	5.5
310.14648	1.3
313.06857	2.0
325.10806	10.5
325.14374	1.7
329.84372	0.7
355.11655	7.0
373.12820	66.2
373.20520	3.8
374.13589	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.9
55.05503	3.2
59.05005	1.1
66.80782	0.9
67.05525	4.2
69.03423	3.1
69.07040	1.5
69.75413	4.1
71.05002	0.9
72.08163	0.9
78.04708	0.8
79.05462	1.5
81.03416	1.3
81.07057	3.5
83.04994	7.5
85.02924	6.2
86.09702	2.2
89.03917	8.9
91.05466	1.8
93.07040	2.4
95.04961	2.1
95.08609	5.5
97.02885	1.7
97.09358	0.7
99.04498	1.2
99.08098	7.6
106.04172	0.9
107.08598	1.5
107.15207	0.7
109.06480	1.7
109.10159	8.4
111.38584	0.7
117.03392	24.3
119.08606	1.4
121.10147	1.3
125.09621	1.0
127.03912	1.4
133.10133	2.2
134.03633	1.2
135.11691	2.5
137.06012	1.6
137.09615	14.3
145.02859	54.2
147.04373	1.1
149.05988	8.0
155.10675	2.7
175.14818	2.5
177.05484	100.0
193.15894	9.7
201.05524	2.4
211.13026	0.9
211.16937	3.0
270.96515	0.8
301.12631	5.5
325.10922	1.0
334.81317	0.8
373.14395	1.6
373.18341	43.2
379.77386	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.8
65.03937	0.9
67.05506	4.6
69.03444	1.8
69.07059	0.8
71.52349	1.0
79.05492	1.4
81.03426	1.7
81.07059	2.2
83.04990	4.3
84.04509	1.2
85.02910	4.3
86.09706	1.4
89.03918	7.7
91.05473	1.2
93.07037	1.2
95.04978	10.1
95.08616	2.2
97.02904	1.0
99.04478	1.0
99.08110	4.2
105.07024	1.2
106.06544	0.9
107.08655	1.6
108.08161	0.8
109.09406	0.6
109.10156	19.1
117.03387	25.2
121.10154	0.9
123.11683	1.2
127.03841	0.9
133.10092	1.1
134.03635	2.0
135.04515	1.0
135.11696	1.5
137.06000	1.2
137.09618	15.1
145.02850	50.4
147.04390	1.2
149.05966	6.9
149.95911	0.7
153.01822	1.4
155.10625	2.0
165.16409	1.7
177.05479	100.0
186.05424	1.0
193.15895	21.2
211.16940	8.0
217.15811	1.2
337.20047	1.6
373.18158	3.7
373.22495	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80772	4.7
55.05502	17.2
57.07065	10.4
66.10477	4.9
67.05509	53.9
69.03432	11.4
69.07074	10.5
71.05000	28.8
71.08619	9.8
71.53741	7.6
74.74109	5.0
79.05512	11.8
81.03381	4.7
81.07060	26.6
83.08631	13.5
84.04523	43.2
87.04480	100.0
88.07606	12.1
91.05495	51.7
92.32491	5.4
93.07058	35.9
95.08630	55.0
102.05551	15.3
104.28801	4.9
105.07053	16.4
106.08654	6.3
107.04988	6.0
107.08591	13.7
109.10167	59.0
110.52431	6.5
111.08072	9.6
119.08578	35.3
121.10201	6.9
123.71223	5.0
130.04993	33.8
133.10152	63.9
137.09619	66.6
139.07549	7.8
148.06075	37.7
151.11176	19.9
161.09657	17.5
169.12283	32.0
179.10690	37.7
187.13293	5.7
201.14868	64.5
207.02737	5.5
211.13327	10.9
234.39333	6.3
254.65410	5.0
255.17656	7.1
273.18359	15.2
291.19592	14.4
305.21014	8.7
312.29181	9.5
323.22162	9.7
372.31018	64.7
372.34741	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	371.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.7
55.05512	93.6
57.07064	7.3
66.38946	2.8
67.05499	15.8
69.07069	20.2
71.54317	2.5
78.24445	2.3
79.05492	6.5
81.07061	20.8
82.79718	2.7
83.04958	3.5
83.08620	100.0
91.05460	5.8
93.07041	8.3
95.08613	18.5
97.06517	2.9
97.10172	18.9
99.08027	3.0
101.06007	3.0
105.07037	4.6
107.08611	5.5
109.10141	9.4
111.04452	2.2
111.11715	9.9
119.08572	4.6
121.10120	8.8
123.11761	3.6
125.09593	3.6
129.05484	4.5
133.10107	5.6
135.11687	9.0
137.13197	2.7
147.06522	2.8
147.11696	6.7
151.11203	3.4
153.12759	3.0
161.13258	3.9
165.12764	3.5
217.19540	16.0
235.20609	17.5
253.21687	16.6
347.10266	2.5
371.28064	4.7
371.33417	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
51.38545	0.9
55.05525	1.5
57.03435	1.8
57.07079	3.1
59.05005	14.3
59.25144	0.8
60.05332	2.9
61.02922	0.9
65.03938	0.9
67.05507	2.4
69.03429	4.0
69.07068	2.4
69.30179	6.3
69.30595	1.9
71.04994	1.5
79.05489	5.2
79.50069	0.9
81.03410	2.0
81.07068	5.2
83.05003	1.4
83.08631	1.0
85.02915	8.9
85.06545	1.3
86.03232	1.0
91.05489	6.9
93.07052	10.2
95.04985	2.4
95.08616	3.0
97.02890	3.3
97.06557	1.6
99.08166	1.2
101.06021	0.9
103.05462	1.7
105.07030	8.5
107.04985	4.2
107.08601	17.1
109.02895	1.8
109.06525	1.8
109.10166	3.4
115.11216	3.1
116.11578	2.4
117.07009	1.4
119.08589	56.4
121.06508	1.1
121.10152	30.1
122.16412	1.0
123.04466	2.1
127.03928	1.8
128.06253	1.0
129.07028	2.1
129.59891	1.1
131.05017	0.9
131.08614	2.5
133.06523	1.4
133.10132	3.4
135.11708	2.5
137.05986	6.7
145.04964	2.0
145.06529	1.1
145.10130	1.6
147.04512	1.3
149.09682	1.0
151.03912	1.7
156.05696	2.2
159.08070	2.1
163.03984	1.3
163.14815	9.3
166.08751	1.0
167.07054	14.9
173.06093	0.8
173.13260	7.1
175.07600	3.0
179.08487	1.1
187.07579	4.8
189.09137	1.0
191.07117	1.5
191.14326	59.4
191.16318	2.9
192.16820	3.7
193.08696	1.8
199.07603	1.5
206.07281	1.5
209.15378	100.0
210.15677	1.1
215.08553	1.1
217.08578	4.6
218.07256	1.9
219.10202	1.2
231.08199	1.2
232.08832	1.4
233.09773	1.5
234.06934	1.2
235.07587	1.1
239.07108	2.4
246.06898	1.1
247.09732	1.6
249.09210	2.1
250.09714	1.0
251.06926	1.0
261.09204	1.9
265.08542	1.2
277.08655	1.8
278.09570	1.5
281.11642	1.2
285.07605	3.6
293.08521	1.1
293.11880	1.7
300.09970	4.0
301.10623	1.2
307.09988	1.4
309.11151	3.1
321.11310	2.7
326.11493	1.0
335.22348	1.1
338.95239	0.8
339.12241	1.3
341.13794	3.3
353.13947	5.2
371.14920	4.2
371.20621	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	371.2069
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
50.20507	0.9
53.03946	4.3
53.81502	0.9
55.01876	6.3
55.05515	5.0
57.03447	9.2
57.07075	1.0
58.28880	1.0
59.04998	1.3
61.02932	13.0
64.85445	0.9
67.05520	5.6
69.03437	36.7
69.03818	1.9
69.06723	1.2
69.07071	11.9
69.33279	8.6
71.04987	4.3
71.08640	1.2
71.74135	0.9
73.02910	5.3
79.05513	6.3
81.03433	14.3
81.07072	9.2
83.01331	1.9
83.04970	3.1
83.08614	3.3
84.04459	1.0
85.02914	96.8
87.04482	6.3
91.03986	5.9
91.05427	5.2
93.07077	5.9
95.04974	19.7
95.08607	7.2
97.02287	2.2
97.02902	33.7
97.03520	2.0
97.06552	4.5
99.04462	7.8
101.02364	1.2
101.06011	1.0
103.05427	1.6
105.07043	5.3
107.04932	1.6
107.08612	8.8
109.02884	10.3
109.06538	7.5
109.10163	3.7
111.04484	2.3
111.08115	1.6
115.03897	1.4
119.04933	2.7
119.08595	4.6
121.06513	8.0
121.10146	5.3
122.07291	4.2
123.04443	20.3
123.08083	20.3
123.11757	1.3
127.03931	28.8
129.05470	3.8
131.08565	3.0
133.10161	7.5
135.08069	37.1
135.11649	4.5
137.05984	3.7
137.09642	2.0
137.13414	1.2
139.07544	1.3
145.04979	46.8
145.10094	2.7
147.04414	5.7
147.06490	2.1
147.11688	5.6
148.08835	1.8
149.06062	1.3
149.09624	3.4
149.13272	2.1
151.03931	8.4
159.08023	1.1
161.05986	1.1
161.09665	1.7
163.03864	1.3
163.06061	3.3
163.14850	2.1
164.35739	1.0
165.05527	3.7
165.12775	72.7
167.07034	5.4
173.13321	2.4
175.14865	3.9
176.12019	3.1
177.05467	2.0
177.12709	2.5
181.10274	1.0
183.70990	0.9
187.07623	1.8
191.07088	1.4
191.14326	100.0
192.14615	1.9
193.15891	11.0
199.07552	1.1
207.13800	3.6
209.15372	18.6
217.08685	1.2
219.08412	1.2
219.10205	6.9
239.06874	0.9
303.08783	1.6
309.11420	1.4
309.16913	2.4
327.18124	3.7
353.14108	2.0
371.15363	4.1
371.20667	97.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.4
55.01860	2.0
55.05513	3.3
57.07074	1.4
67.05511	6.4
69.03427	7.5
69.07077	4.9
69.83250	5.5
71.05007	2.8
79.05514	2.0
81.03423	3.4
81.07064	4.6
83.04996	3.0
85.02908	15.6
85.06568	3.5
85.89707	1.1
87.04504	1.3
91.05454	5.3
93.07033	11.6
95.04970	3.0
95.08610	53.6
97.02902	4.3
97.06535	10.1
98.97575	1.1
99.04449	2.4
99.08109	2.9
103.05483	2.1
105.07049	8.9
107.04969	2.0
107.08595	10.5
109.06561	2.1
109.10165	6.7
111.08051	2.2
115.07580	1.6
119.04894	1.3
119.08588	6.4
121.06528	2.8
121.10149	10.2
123.04477	2.2
123.08112	2.5
123.11724	4.2
125.09673	2.0
127.03941	3.9
127.05076	1.0
129.09129	2.1
129.48851	1.2
131.08554	8.4
133.10133	100.0
134.87935	1.1
135.08101	3.3
135.11716	2.6
135.90472	1.3
137.06032	2.5
141.06599	2.6
143.08583	1.9
145.05002	4.3
145.10150	4.1
147.04427	3.9
147.11734	4.7
149.05968	2.0
149.09688	4.5
149.13309	5.0
151.03929	2.0
151.11201	10.6
156.05634	1.1
158.10945	4.3
163.14822	7.5
165.12868	1.6
167.07083	4.7
173.13268	32.0
173.14688	1.7
187.07626	2.3
191.14294	41.0
193.08687	1.7
209.08205	1.8
209.15366	11.7
271.78494	1.1
272.86703	1.1
309.11319	1.1
326.68262	1.3
352.07397	1.1
353.14032	1.5
353.20663	2.0
371.16907	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03952	1.6
55.01867	2.2
55.05505	3.4
57.03429	2.5
57.07071	2.3
61.02914	1.6
61.24571	1.0
65.03939	1.0
67.05502	5.5
69.03435	16.4
69.07069	4.1
70.06604	1.5
71.04986	4.8
71.19881	2.2
73.02929	1.9
73.04774	1.4
79.05501	4.9
81.03430	5.5
81.04530	2.6
81.07056	9.2
83.04984	8.6
83.08611	1.7
85.02907	17.2
85.06551	5.2
86.09692	2.0
87.04507	1.2
89.06034	10.8
91.05428	5.7
93.07049	8.2
95.04369	2.2
95.04975	45.2
95.06058	1.6
95.08611	8.9
95.48066	1.1
97.02915	5.6
97.06526	4.6
99.04462	10.0
99.08080	2.0
105.07034	10.6
107.04933	2.5
107.08601	14.1
109.02894	1.9
109.06530	9.0
109.10163	5.2
111.08088	10.8
116.00820	1.1
117.06981	1.3
117.85157	1.0
119.04932	1.8
119.08584	5.6
121.06497	3.1
121.10158	10.1
123.08073	3.9
123.11732	2.0
125.06094	1.1
125.07128	3.6
125.09634	20.1
127.03921	7.5
129.05464	1.9
129.07001	1.6
129.09215	1.1
131.08580	13.3
133.08568	4.1
133.10144	29.8
135.08061	19.0
135.11723	6.1
136.06140	1.3
137.05945	2.9
137.09673	1.9
139.00880	1.1
143.08321	2.4
145.02823	2.1
145.04916	3.2
145.10139	7.3
147.04442	5.5
147.06586	1.9
147.11658	4.9
149.09627	13.0
149.13263	4.1
151.03911	2.5
151.11189	2.1
153.09116	19.9
158.10898	4.4
161.09598	2.6
163.11214	7.8
163.14818	4.0
164.81221	1.0
165.12799	1.3
167.07126	2.7
167.10678	4.0
173.13264	37.7
173.14699	2.1
175.11227	1.1
176.11969	1.8
177.05544	1.4
179.37695	0.9
191.14316	100.0
192.14549	1.1
196.52223	0.9
209.15379	98.1
210.15749	1.7
219.10120	1.4
227.12656	1.3
233.15385	1.5
341.14056	1.4
353.19702	4.7
355.07410	1.3
371.16644	14.5
371.20923	28.4
384.16992	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01880	0.7
55.05275	0.5
55.05515	5.9
55.72321	0.4
56.05033	0.6
57.03432	1.6
57.07085	1.9
59.04997	0.5
59.87032	0.4
61.02932	1.7
65.03934	0.8
67.05510	17.6
67.62024	0.4
69.03429	5.4
69.07071	2.9
70.06596	3.6
71.04997	4.0
71.52773	0.5
72.08157	2.3
72.39516	0.4
73.02927	0.8
73.04749	0.6
79.05507	3.4
81.03423	2.4
81.07063	7.5
82.06585	1.4
83.04996	4.5
83.08626	5.7
84.08132	1.9
85.02910	12.7
85.06544	1.1
86.09718	1.1
87.00833	0.4
87.04472	0.5
91.03988	0.6
91.05437	4.9
93.07041	3.1
95.04970	4.6
95.08604	4.5
97.02895	3.4
97.06546	6.9
98.09673	0.8
99.04449	1.6
99.08076	0.7
100.07620	6.6
100.11262	10.9
101.03506	3.3
101.06031	0.7
101.43133	0.3
105.07034	4.1
107.04955	1.3
107.08612	6.3
109.02885	1.4
109.06528	6.0
109.10163	100.0
110.06031	1.3
110.07204	0.4
110.10478	0.7
111.04455	6.9
111.08064	0.7
112.07616	1.3
115.05492	0.7
115.08713	0.6
116.07113	1.1
117.07028	1.4
119.04957	4.0
119.08570	2.0
121.02880	0.4
121.06536	1.4
121.10152	4.5
122.06021	0.4
123.04392	0.5
123.08083	2.0
123.11726	0.8
124.07640	2.0
125.06027	0.5
125.09631	0.8
126.09166	0.9
127.03922	5.6
127.11224	0.6
128.07091	7.4
129.05521	1.0
131.08580	5.7
133.10143	8.6
135.08066	7.1
135.11717	0.8
136.06192	4.1
136.07629	0.6
137.05786	0.8
137.06660	1.1
137.09650	0.7
139.07584	0.4
139.11200	0.9
140.07092	2.1
143.08554	0.7
145.04959	2.0
145.10118	2.2
146.06082	0.7
146.16521	0.4
147.04424	13.1
147.11678	3.1
148.04773	0.8
148.07585	0.5
149.09621	2.4
149.13272	3.2
151.03903	0.4
151.11203	2.8
153.09109	1.3
158.09290	0.8
158.10909	1.1
163.14839	1.6
164.07103	1.4
164.14423	0.5
165.12776	0.6
167.07054	0.9
169.07462	0.4
169.09726	1.6
169.33488	0.5
173.13284	8.1
177.05489	1.0
182.15417	16.3
182.17024	0.9
187.07600	0.6
191.14316	25.4
192.06557	0.8
193.01930	0.5
193.05055	1.2
194.02208	2.1
208.04300	2.0
209.04596	5.2
209.11823	0.7
209.15211	7.7
210.03835	0.5
210.07687	1.2
210.14905	20.3
219.04962	0.5
227.17551	5.2
228.16010	0.8
236.07416	0.5
244.20221	4.0
265.16385	1.9
267.17889	0.7
285.01102	0.8
335.18735	0.6
336.23044	2.0
337.21243	7.2
353.19699	0.7
353.26141	2.6
354.23895	13.9
355.07285	0.5
371.12830	1.1
371.16806	10.3
371.20743	4.5
371.26703	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	371.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.9
53.03944	5.1
55.01875	2.7
55.05502	2.1
57.03424	0.9
57.07077	0.7
59.05001	0.7
65.03955	1.0
67.05508	3.0
67.40987	0.6
69.03432	21.8
69.07053	1.8
71.04982	1.3
71.54372	1.1
77.03922	0.7
79.05489	5.6
81.03418	1.4
81.07059	4.5
83.04973	1.7
85.02906	1.6
87.04445	0.6
91.05473	9.2
93.07035	4.9
95.04969	3.4
95.08612	1.9
97.02895	25.9
97.03522	1.2
99.04459	0.9
101.05998	0.7
103.05460	1.3
104.86875	0.6
105.07032	7.8
107.04935	2.8
107.08598	6.4
109.02887	17.7
109.06515	3.4
109.10179	1.8
111.04443	2.0
111.08070	0.9
115.05458	4.2
116.06238	1.5
117.07014	2.5
119.04948	1.0
119.08584	7.3
121.02850	0.8
121.06516	5.4
121.10157	3.0
123.04434	2.0
123.08055	1.7
125.06055	0.8
127.03919	5.9
128.06230	11.5
129.06999	9.2
130.07779	1.0
131.04950	1.0
131.08569	8.4
133.06490	2.8
133.10124	2.2
133.44679	0.5
135.04440	1.5
135.08057	24.8
135.11656	1.3
137.05980	6.7
137.09560	0.6
139.11153	0.9
141.06987	12.1
141.07994	1.1
142.07780	13.8
143.08560	21.7
144.05705	1.3
144.09326	1.4
145.06497	4.3
145.10118	2.6
146.07227	1.1
147.04456	1.0
147.08034	6.4
147.11684	3.9
148.08809	1.2
149.06075	1.0
149.09624	12.1
149.13217	1.1
151.03885	0.7
151.07552	1.2
152.06155	1.0
153.07005	20.0
154.07777	2.2
155.06018	1.4
155.08562	13.3
156.05800	1.4
156.09348	26.3
157.06511	3.5
157.10138	14.7
158.07281	7.2
158.10919	1.5
159.08058	13.1
159.11668	3.9
160.08817	0.9
161.05997	1.5
161.09598	2.3
163.07535	0.7
165.05659	0.5
165.07011	11.3
166.07791	14.2
167.07051	6.6
167.08563	5.9
168.09354	17.8
169.06471	8.7
169.07788	0.6
169.10124	1.7
170.07317	3.1
171.08052	28.9
171.11702	16.2
172.08809	3.5
173.05914	1.0
173.09645	5.3
173.13255	4.3
174.06795	0.7
175.07593	3.8
175.11183	2.5
178.07732	0.8
179.08542	1.1
181.06543	0.7
181.10118	15.5
182.07132	0.7
182.10686	0.7
183.08099	5.3
183.11699	21.2
184.08849	19.4
185.05978	1.3
185.09622	23.6
186.10393	7.1
187.07515	3.2
187.11183	1.2
189.09166	3.5
189.12729	2.0
190.07758	0.8
191.08649	1.0
191.10535	0.7
191.14322	12.2
192.16623	0.7
194.07306	2.2
195.08054	2.4
197.05988	8.4
197.09615	2.3
199.11185	84.3
200.11603	1.4
201.12753	4.0
203.06946	0.7
203.08791	0.5
203.10670	12.5
209.09642	22.2
209.11615	1.4
209.15334	4.2
211.07516	6.7
212.08321	33.5
215.10701	4.6
217.08649	4.2
217.12230	4.7
218.07343	1.1
219.08160	0.8
227.10669	100.0
233.09576	1.1
235.07574	0.8
239.06981	0.9
241.08655	0.8
245.11740	65.7
246.12140	0.8
247.09679	1.4
249.09070	1.2
261.09064	2.0
263.06781	0.6
265.09195	0.6
277.08640	1.6
278.09305	0.8
281.11673	0.7
285.07611	2.0
289.08643	0.6
293.11801	1.6
300.09900	3.9
300.17728	0.6
301.10599	0.6
302.73953	0.5
309.11099	1.7
311.12714	0.6
313.94180	0.6
321.11212	2.0
323.09070	0.7
326.11307	0.9
335.22174	0.7
339.12314	1.1
341.13815	1.8
350.89221	0.7
353.13577	3.6
371.14819	6.0
374.94864	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	0.7
69.03465	0.7
69.55894	4.5
79.05494	1.0
81.07057	0.9
83.49956	0.8
85.02889	0.9
91.05486	1.1
93.07021	0.8
95.08611	0.9
101.05942	0.7
101.58499	0.7
103.28736	0.6
105.07037	1.1
107.08562	0.8
109.02875	1.0
119.08602	0.8
131.08537	2.0
132.13782	0.6
133.10138	10.8
135.08072	0.8
137.05957	1.0
147.11664	0.9
173.13313	3.8
178.11308	0.6
183.10475	0.6
191.14362	4.9
227.05185	0.8
229.74591	0.7
264.02237	0.6
271.04190	0.9
285.13037	2.5
294.15503	0.7
300.09888	1.0
309.11444	0.8
327.14182	21.2
371.13156	100.0
372.13589	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01864	4.7
56.96563	3.5
57.03435	7.8
61.02932	8.3
65.03924	1.9
69.03088	1.9
69.03431	25.8
70.06593	3.7
70.24213	3.1
70.24565	4.8
71.04971	3.0
73.02930	8.2
73.04745	4.7
74.02435	15.0
81.03416	9.0
82.28349	1.4
85.02908	66.8
86.03248	2.1
87.04465	2.9
88.03984	2.1
91.03958	2.8
91.05460	6.8
91.05868	2.8
94.06570	76.8
95.04961	1.8
97.02896	27.4
98.97582	15.2
99.00823	9.9
99.04468	4.7
101.00874	2.7
103.03975	1.8
104.04971	7.7
106.38635	1.4
107.05005	2.0
107.63941	1.7
109.02869	6.5
110.97607	3.8
111.04452	1.8
112.07645	2.9
115.03951	3.1
116.03493	2.4
116.98627	3.1
118.06544	27.4
119.01856	3.4
119.04955	9.6
120.04466	28.4
127.03915	20.4
128.07050	1.6
128.98561	1.9
130.06552	2.7
132.04442	6.9
132.08073	5.1
136.06186	29.4
136.07565	46.5
137.05995	17.5
139.03920	1.7
142.06606	1.8
143.01917	5.3
145.03476	1.8
145.04938	10.6
146.06017	56.7
147.04437	28.7
148.04694	2.3
148.07571	2.0
149.04727	1.8
150.05504	24.5
155.01936	3.1
155.04692	2.9
156.04454	3.8
157.03348	2.0
158.99658	2.7
160.07539	7.8
161.02919	6.7
163.08701	9.0
164.07062	5.3
167.07040	2.6
168.08078	2.0
170.06042	7.2
172.07603	1.7
173.02899	4.9
174.05559	22.5
179.07045	7.5
184.07549	5.8
185.02930	4.8
188.07260	4.4
190.05032	2.2
192.06563	100.0
195.04958	2.2
196.07614	4.3
197.02980	1.7
198.05540	3.0
198.09134	2.9
202.09067	2.5
203.03970	4.2
208.07556	2.1
209.09213	99.3
212.07397	1.7
214.08652	3.6
216.06665	2.2
218.04750	2.4
219.01775	3.9
219.05008	3.7
220.02156	1.8
220.10268	2.3
221.05070	2.6
224.07404	4.9
226.08533	3.0
232.09883	1.6
234.07500	5.8
236.07210	3.0
237.02806	5.0
237.06038	4.2
241.10269	3.2
242.08690	4.6
244.04266	3.6
244.09662	2.6
245.05055	10.8
251.10342	2.0
252.06615	2.4
259.11423	2.1
260.07474	2.0
260.09860	2.5
261.06180	2.1
262.10602	4.8
266.08148	6.5
268.97882	2.9
270.07581	10.3
272.08133	9.3
272.58154	3.5
279.07169	2.2
279.15674	2.2
280.11896	2.5
282.07532	3.5
285.01001	4.8
290.06113	1.8
298.12756	4.1
300.08609	5.0
309.08249	1.8
318.09695	17.6
321.08063	1.5
323.14270	3.5
328.62973	1.7
335.12195	4.9
336.10617	9.8
348.06964	3.9
353.13266	3.4
355.06894	5.0
363.09436	1.7
371.16602	9.7
381.10178	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	371.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58627	0.5
65.03922	1.0
70.06596	1.3
70.74107	1.2
70.74448	1.3
72.40290	0.5
84.08134	0.7
84.67023	0.7
86.09743	0.7
91.05466	15.2
101.06001	0.7
104.77522	0.7
119.04945	30.1
123.04393	0.9
129.05444	0.7
147.04416	100.0
148.04782	1.1
165.05522	0.8
165.10237	1.5
174.08430	0.8
371.16971	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	371.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29830	0.4
55.01866	0.4
55.05507	0.7
59.05003	0.4
65.03934	2.6
69.03410	0.7
70.06580	1.4
71.53406	0.4
73.04758	1.1
79.05476	0.5
81.03426	0.8
81.07063	0.8
83.04993	0.8
84.04508	0.6
85.02904	1.7
86.09705	0.9
87.27962	0.4
91.05463	14.2
93.07063	0.4
95.04935	0.9
95.08591	0.5
97.02904	0.6
97.06545	0.4
98.97575	0.6
104.40743	0.4
106.06575	1.0
108.32807	0.4
109.02934	0.5
111.04442	0.7
119.04950	29.6
120.05276	0.6
121.02862	0.4
122.25777	0.4
123.04435	0.7
127.03932	0.7
129.05481	0.7
133.10106	0.4
139.04045	0.5
147.04416	100.0
148.04747	1.3
151.03905	1.7
151.11259	0.4
167.06987	0.4
177.05524	0.6
179.03395	0.4
191.14331	0.5
209.04506	1.5
209.15375	1.1
233.06433	0.4
240.15886	0.4
244.74408	0.4
285.00961	0.7
295.09540	0.5
344.40030	0.5
355.07034	1.0
361.68188	0.4
371.13098	0.6
371.16949	3.6
391.90543	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05189	1.9
55.05493	2.2
57.03436	2.0
60.33761	2.2
67.05496	3.2
69.03444	2.2
69.07061	3.0
70.06580	6.2
71.52348	3.5
72.08134	2.4
73.04756	14.1
81.07071	2.8
83.04969	2.5
84.08147	2.7
85.02908	5.9
86.09742	2.5
87.01608	2.0
91.05423	8.8
91.05805	14.6
97.02898	3.9
98.97580	7.9
101.06028	2.8
105.66187	2.4
110.97561	3.0
111.04445	3.5
116.98631	2.1
119.04961	27.9
121.02878	4.2
122.22684	2.2
123.04485	2.9
127.03930	3.2
127.04942	2.0
128.98604	4.2
129.05476	4.1
136.06187	8.2
136.07602	2.2
137.05974	4.1
147.04422	100.0
147.06320	3.9
148.04858	2.4
150.05362	2.8
191.14322	3.0
209.09016	3.4
219.01767	2.8
225.12233	2.7
227.03296	2.2
237.02742	11.2
268.97882	5.6
276.07428	2.6
285.01031	15.2
323.04639	2.6
355.06805	10.8
371.07129	20.2
371.13226	4.6
380.56906	2.1
389.07422	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74589	32.7
55.05519	50.9
67.05489	100.0
71.53721	46.9
79.05501	41.0
81.07042	54.7
93.07056	37.2
99.27041	31.7
107.08570	49.5
109.10152	64.3
127.44444	32.2
201.18839	36.1
225.22754	33.3
228.84064	33.7
229.07520	61.9
247.08632	34.6
299.99728	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41000	6.1
55.05516	41.6
57.07074	9.5
66.60290	6.1
67.05509	72.7
68.86671	5.3
69.07073	59.5
71.04993	9.4
71.08624	12.3
79.05499	39.2
81.03424	7.9
81.07063	100.0
82.07401	6.7
83.08618	31.8
85.06537	10.3
91.05483	34.5
92.51314	6.2
93.07034	38.1
95.04973	9.3
95.08610	97.8
97.06545	18.2
98.21525	12.2
99.08125	6.1
105.07023	36.2
107.08604	25.2
109.06549	6.6
109.10167	25.1
110.99478	5.3
119.08606	29.4
121.10145	26.4
123.08032	7.6
123.11728	17.1
131.08578	17.7
133.10141	19.9
135.11652	13.5
137.09605	7.6
145.10164	9.1
147.11719	19.2
159.11711	8.4
163.14870	9.9
173.13249	9.0
177.12910	6.9
187.14806	8.3
191.14302	7.2
196.93346	5.5
209.15448	16.3
223.16919	16.4
252.20416	15.0
303.23169	48.5
317.24643	8.7
335.25818	8.7
335.29486	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	370.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28258	0.7
55.05514	0.9
57.03417	1.2
57.07076	14.9
59.05004	100.0
61.02938	0.9
65.45164	1.0
67.05523	0.9
68.05093	0.8
69.03432	7.6
69.76815	3.6
76.02235	5.8
81.03444	1.2
81.07050	0.7
81.35516	0.8
85.02898	8.8
93.07040	1.5
97.02877	2.9
97.10146	1.1
105.07029	1.3
107.08563	0.9
109.02887	1.5
115.10431	1.4
115.11215	24.6
117.09147	1.3
118.03242	1.6
119.08581	1.6
121.10165	1.3
127.03964	1.0
139.11180	1.5
144.04836	1.0
145.05014	1.2
145.46039	0.8
146.02747	1.7
173.15331	4.5
191.16431	40.7
204.06860	1.3
207.13834	3.4
209.15375	2.8
265.86984	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09558	2.0
53.03928	2.6
55.01885	4.6
57.03442	4.6
59.04992	2.5
61.02927	4.8
61.66050	2.1
65.04206	2.2
67.05505	3.8
69.03429	20.4
69.07076	7.9
70.06606	4.5
70.10578	3.9
70.10963	4.9
71.05000	48.7
72.08159	3.9
73.02931	3.3
79.07984	2.0
80.34507	2.3
81.03444	11.0
81.07068	3.6
85.02917	48.4
85.06535	2.8
86.09721	2.4
86.80685	2.1
87.00851	18.0
87.08116	5.6
91.05505	4.7
95.04983	14.8
97.02908	17.7
97.06528	7.2
99.04453	7.2
101.03497	2.8
105.01885	23.4
109.02885	11.3
109.10178	2.6
113.06026	11.1
115.07590	3.4
116.74305	2.9
119.04910	3.7
127.03931	34.3
127.07635	11.5
131.07056	48.7
134.06087	2.5
136.06184	3.2
144.08041	3.0
145.04980	9.2
145.08621	100.0
146.05984	4.0
147.04443	14.5
167.75253	2.0
173.08109	4.3
189.03883	3.3
190.08636	2.8
191.09163	40.4
195.10135	2.6
208.09740	10.1
209.15387	4.6
231.05019	12.5
317.12372	10.4
329.23221	2.5
370.23325	6.2
371.20822	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	370.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90454	0.7
56.05031	0.8
58.99580	6.3
67.05509	1.2
69.03432	100.0
70.54544	1.8
70.54910	1.3
74.00662	1.3
76.02232	78.4
81.07066	1.0
83.04990	3.2
84.04503	4.0
84.08156	0.9
85.02936	0.8
88.03991	1.3
91.05469	1.3
95.08624	1.5
97.06519	1.0
98.97598	0.8
99.02711	2.8
102.00164	1.4
102.03794	1.7
109.10159	2.3
112.07593	0.7
112.62988	0.7
118.03246	39.2
121.06548	0.9
121.10152	1.1
122.02739	4.1
123.08061	1.9
127.02155	3.5
130.05011	2.5
137.06009	2.5
139.11192	25.4
142.14320	0.8
144.01123	1.1
144.04782	24.0
146.02721	16.8
147.04474	1.5
147.11632	1.0
148.04312	1.5
151.07561	8.2
162.05841	6.7
164.03801	3.3
165.09116	2.0
167.07101	1.1
168.04770	4.6
183.04845	2.6
183.10245	2.3
186.05873	3.2
190.05312	4.9
204.06908	14.2
207.13811	74.5
208.14203	1.0
217.08676	2.0
219.10136	0.9
232.06430	3.1
239.11086	3.3
241.12567	1.2
282.15231	9.2
300.09967	1.0
324.16293	11.9
328.15839	4.0
351.81158	0.8
352.15820	3.0
370.16821	5.8
385.26355	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.5
53.63723	1.7
55.01873	13.9
55.05514	66.0
57.03442	21.1
57.07067	5.2
59.32506	1.7
65.03901	2.2
67.05510	62.0
69.03436	5.2
69.07070	29.4
69.36530	4.3
69.36935	10.1
71.04996	6.6
71.08631	41.8
79.05502	38.7
79.05962	2.3
81.03429	5.4
81.07061	89.0
83.05004	12.8
83.08618	51.4
85.02918	3.6
85.06554	5.6
85.10171	5.9
91.05486	44.5
92.61774	1.9
93.07047	44.9
95.04976	10.1
95.08612	43.6
97.02965	2.3
97.06541	14.8
97.10186	5.4
99.08096	36.7
105.07031	34.5
107.04908	2.0
107.08593	25.6
109.06535	8.1
109.10159	14.9
111.08088	22.8
113.09657	9.5
117.07035	4.2
119.08589	28.1
121.10152	20.6
123.08076	6.4
123.11716	14.7
125.09629	3.5
127.11222	3.8
129.07033	5.5
131.08571	9.5
131.28377	2.1
133.10129	21.8
135.08076	3.5
135.11716	12.8
137.09647	4.3
137.13272	3.0
139.11148	10.5
143.08557	4.8
145.10172	10.2
147.08055	2.2
147.11702	37.2
147.12808	3.4
149.09645	6.8
149.13264	17.2
151.11163	15.6
153.12747	3.2
153.81477	2.1
157.10110	10.0
159.11722	5.3
161.09671	2.8
161.13275	14.1
163.11240	6.6
165.12762	23.1
167.14336	5.3
171.11737	5.1
173.11839	2.2
175.11230	9.0
175.14792	5.1
179.14355	7.6
183.13905	2.5
185.13324	2.4
189.12822	4.3
193.12259	3.9
195.13945	2.2
199.14844	2.1
203.14250	2.5
207.13863	4.5
217.15819	2.3
229.14417	3.2
231.21094	4.2
241.19662	4.6
249.22250	5.3
259.20450	11.1
276.20560	2.8
277.21646	66.3
291.56940	2.1
295.22656	17.3
351.25391	15.8
369.26456	100.0
369.54431	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.7
55.01881	12.2
55.05272	3.4
55.05516	47.3
55.60958	2.3
57.03442	20.8
57.07075	6.5
59.04977	4.1
61.44229	2.4
62.18674	2.2
65.03934	3.5
67.05508	100.0
69.03392	3.7
69.06738	2.9
69.07072	35.9
69.98488	10.3
71.04987	7.1
71.08643	31.5
76.50499	2.3
76.82410	2.3
79.05061	4.4
79.05496	62.0
81.03431	16.6
81.07065	85.6
82.70213	2.7
83.04985	16.3
83.08627	26.4
85.02914	4.4
85.06540	7.5
91.05486	43.8
93.07048	89.6
95.04972	23.5
95.08607	43.0
97.06549	14.0
97.10151	14.9
99.08099	30.7
105.07033	35.4
107.04968	6.7
107.08604	44.5
109.06511	8.7
109.10155	23.2
111.04454	3.1
111.08067	10.9
113.09635	2.9
117.07015	16.1
119.08582	21.9
121.06507	3.0
121.10155	26.0
123.08064	6.0
123.11698	5.6
125.09624	10.3
129.07048	4.9
131.08600	15.6
133.10132	27.4
135.07993	3.4
135.11707	26.1
137.05989	12.5
137.09637	5.5
137.13234	3.0
139.11098	3.0
143.08577	11.1
145.10107	11.0
147.11673	12.5
149.13254	26.4
151.11174	41.5
157.10168	6.4
159.11732	16.7
161.13280	19.4
163.11186	11.0
165.12740	8.1
171.11717	7.4
173.11751	10.9
173.13190	5.8
175.11166	3.3
175.14757	4.7
177.12749	8.7
179.10658	3.0
179.14307	12.0
185.13304	4.4
189.11232	9.3
189.12781	5.5
195.13727	20.4
199.14738	2.7
207.13844	4.9
221.15395	3.5
227.12794	7.8
231.21030	3.2
241.19531	10.2
245.13849	5.4
249.22194	5.2
253.17982	4.8
259.20599	13.1
269.17490	53.5
277.18103	7.2
277.21655	69.2
295.22559	4.0
336.09488	2.8
351.21188	4.7
351.25302	47.5
369.13272	3.1
369.26758	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	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.6
53.93109	3.4
55.01862	11.7
55.05513	63.2
57.03435	29.2
57.07070	8.8
67.05505	97.5
69.03416	5.5
69.07057	37.6
70.42745	9.9
71.04996	9.0
71.08625	54.0
79.05490	74.8
81.03415	16.2
81.07059	100.0
83.04964	11.0
83.08619	39.9
85.06539	10.0
85.10173	3.9
91.05490	50.6
93.06485	4.7
93.07049	83.3
95.04984	25.6
95.08604	59.6
97.06553	19.8
97.10182	22.9
99.08092	41.2
105.07032	34.5
107.04953	5.1
107.08594	50.5
109.06493	9.7
109.10165	29.6
111.04450	3.2
111.08073	12.0
117.07021	15.6
119.08574	25.8
121.10149	26.7
123.08074	5.1
123.11696	9.1
125.09653	18.2
129.06998	6.4
131.08556	12.1
133.10127	31.0
135.08026	5.2
135.11716	29.1
137.09593	4.3
139.11292	3.2
143.08565	5.8
145.10100	13.1
147.11676	21.4
149.06459	3.1
149.09595	5.2
149.13249	22.6
151.11172	63.5
157.10054	3.5
159.11674	13.5
161.13246	20.5
163.11171	15.6
163.14839	4.3
165.12711	9.3
171.11736	6.5
173.11736	19.7
173.13214	6.0
175.14848	5.4
177.12743	7.9
179.14285	17.2
185.13271	5.3
189.11208	25.0
195.13811	12.0
207.13838	3.6
227.12819	22.3
241.19579	10.4
245.13867	14.4
249.22217	5.3
253.18053	12.4
259.20572	15.4
269.17453	43.6
277.21616	90.1
292.20853	3.7
295.22617	10.7
351.25299	71.5
369.26529	47.8
391.49884	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	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.1
55.01862	8.4
55.05271	2.8
55.05518	36.0
57.03440	16.8
57.07061	9.7
67.05508	100.0
69.07069	27.6
71.04998	5.6
71.08640	30.2
79.05498	55.2
81.03434	4.3
81.07062	90.4
83.04976	8.4
83.08620	24.5
85.02910	3.8
85.06532	6.2
91.05486	46.4
93.07050	71.2
93.07631	5.7
95.04952	17.0
95.08612	52.7
97.06525	10.0
97.10168	22.1
98.00494	3.2
99.08094	30.5
105.07034	33.6
107.04982	7.0
107.08598	49.8
109.06507	9.7
109.10164	41.5
111.08084	6.1
112.62730	3.6
117.07018	8.4
119.08594	28.1
121.10153	30.1
123.08061	5.3
123.11680	8.0
125.09602	14.2
129.06956	5.4
131.08537	17.3
133.10150	25.1
135.08107	4.9
135.11708	36.1
137.09589	7.1
139.11273	3.8
143.08549	6.6
145.10115	14.3
147.11720	22.1
149.13260	17.2
151.11195	30.3
157.10089	6.3
159.11705	13.6
161.13272	13.1
163.11169	11.5
163.14876	5.5
165.12756	6.8
169.76497	2.8
171.11707	7.4
173.11807	4.3
173.13232	4.6
175.14804	7.8
177.12781	4.4
179.14330	42.2
181.12398	3.2
185.13318	5.4
187.14754	4.1
189.11205	11.4
189.12631	5.0
195.13750	7.0
207.13797	5.2
227.12764	8.2
229.14406	3.7
231.20944	2.9
241.19548	9.6
245.13908	6.0
246.66913	4.5
253.18147	6.2
259.20630	20.7
269.17441	10.9
277.21625	85.2
346.86469	3.4
351.25339	87.8
369.26379	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	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
55.01870	11.1
55.05518	44.1
57.03444	24.9
57.07078	6.5
59.05014	4.7
59.47840	2.7
67.05509	100.0
69.03445	4.5
69.07076	31.3
69.55328	18.1
71.05003	6.2
71.08636	45.2
71.66306	2.9
79.05497	68.7
81.03420	11.5
81.07061	94.5
83.04988	15.8
83.08620	22.4
85.06560	7.6
91.04964	5.3
91.05490	50.3
93.07050	82.8
95.04971	18.4
95.08616	66.6
97.06532	17.8
97.10178	16.7
99.08086	25.4
105.07040	39.7
107.04973	7.0
107.08609	65.3
109.06526	8.9
109.10170	49.1
111.08081	7.5
112.18661	2.9
117.07024	13.7
119.08593	28.2
121.10151	39.7
123.08060	8.6
123.11756	7.2
125.09655	12.0
129.07039	6.9
131.08539	21.3
133.10153	35.4
135.11705	45.4
137.06075	3.9
137.09596	3.9
143.08562	6.1
145.10144	15.0
147.08090	3.7
147.11699	25.8
149.09592	3.8
149.13283	15.3
151.11212	40.8
157.10147	5.3
158.20737	3.4
159.11711	13.0
161.13234	20.7
163.11208	11.6
163.14870	4.3
165.12750	6.6
171.11679	7.8
173.11807	11.7
173.13246	6.5
175.14870	9.0
177.12793	5.3
179.14307	49.4
185.13249	6.2
187.14813	13.6
189.11240	10.6
189.12798	6.8
199.14838	4.4
207.13788	7.3
220.93413	3.0
227.12688	6.1
231.21378	3.3
241.19547	12.2
245.13919	10.0
253.18021	5.0
259.20578	30.1
269.17450	18.3
277.21640	93.7
338.78690	3.0
351.21182	5.5
351.25317	90.6
369.26370	11.9
369.78879	4.6
391.26459	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	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.2
55.01881	4.3
55.05517	17.9
57.03436	7.1
57.07077	6.1
67.05507	51.3
69.07070	18.1
71.04992	3.2
71.08636	43.8
71.49254	2.7
79.05495	42.7
81.03426	7.2
81.07057	61.7
83.04985	12.0
83.06927	2.0
83.08613	11.1
85.31824	2.2
91.05477	28.4
91.06007	2.2
93.07043	60.4
95.04950	10.7
95.08613	37.7
97.06568	10.6
97.10184	6.6
99.08104	27.2
102.25779	2.2
105.07040	25.0
107.04961	5.5
107.08598	32.4
109.06506	4.2
109.10170	16.6
113.09640	2.6
117.07028	4.6
119.08580	16.4
121.06539	2.8
121.10149	28.6
123.08042	2.4
125.09625	4.0
127.03795	2.2
129.06987	2.9
131.08583	10.4
133.10120	16.5
135.11693	39.5
137.09581	4.1
141.09073	3.3
143.08588	4.1
145.10138	7.0
147.01300	2.1
147.11687	8.3
149.13252	9.4
151.11185	16.1
157.10066	2.1
159.11688	2.7
161.13287	13.9
163.11205	6.5
165.12762	5.9
171.11617	3.2
173.13193	3.0
175.14766	3.5
177.12682	2.7
179.14313	100.0
180.14688	2.4
189.12851	3.1
190.13042	2.1
195.13792	2.7
221.15485	4.9
229.74402	2.4
235.17027	4.0
241.19371	4.2
259.20551	7.2
269.17529	4.3
277.21634	69.1
351.25302	80.1
369.25583	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	369.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	16.6
55.01873	6.2
55.05519	26.2
56.06961	4.1
57.07078	4.2
57.53555	3.6
67.05177	5.1
67.05507	57.0
69.03397	3.4
69.07076	37.1
69.73711	3.2
71.08639	4.6
71.53282	6.0
74.09679	3.5
77.65851	3.5
79.05496	33.5
81.03429	43.9
81.07066	56.8
83.04968	13.3
83.08630	5.5
91.05500	26.7
93.07055	36.4
95.04572	2.8
95.04987	32.3
95.08621	26.0
97.06476	4.8
97.10175	9.1
99.08147	4.6
105.07034	19.6
107.08580	23.4
109.06545	9.5
109.10162	16.7
114.99260	3.7
117.07043	5.9
119.08584	17.1
121.10146	15.2
123.11699	6.8
125.09626	9.5
131.08582	7.4
133.10152	18.7
135.08073	7.7
135.11691	8.3
137.09724	3.7
145.10117	8.1
147.11716	14.7
149.13335	7.6
149.92241	3.7
151.11177	35.6
157.10048	4.1
159.11647	6.0
161.13243	9.4
163.11182	4.2
165.12817	6.7
171.11646	7.4
173.13306	4.6
175.14830	5.4
176.38498	3.9
179.14259	4.6
184.31604	3.4
189.12834	5.4
231.21136	7.1
241.19710	3.8
277.21613	100.0
351.25320	71.1
369.24139	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84782	0.8
53.03944	1.5
55.01868	5.2
55.05514	7.3
57.03442	4.0
57.07063	1.4
67.05512	8.6
69.03423	1.4
69.07066	4.4
79.05504	7.8
81.07066	27.3
83.04963	3.2
83.08607	2.2
85.02904	1.2
91.05479	5.1
93.07048	7.7
95.04978	1.0
95.08127	0.9
95.08620	7.6
97.06541	1.9
98.20623	1.5
103.05481	0.8
104.37561	0.8
105.07029	4.5
107.04927	1.1
107.08593	5.7
109.06532	12.1
109.10151	5.2
111.03726	1.0
111.04455	17.1
111.08008	1.3
111.85624	1.0
119.08585	5.7
121.06526	0.9
121.10207	4.0
123.08043	2.1
123.11733	1.8
125.06020	5.0
127.03970	1.0
129.06967	1.1
131.08578	2.6
133.10133	5.2
135.08025	2.9
135.11736	4.9
137.05988	100.0
137.13249	1.6
139.07553	0.8
143.08545	2.3
145.06516	0.9
145.10104	2.0
147.08047	2.6
147.11702	5.9
149.09651	4.0
149.13225	1.4
151.07535	2.6
151.11186	0.9
157.10121	2.6
159.11653	1.8
161.09622	5.5
161.13243	2.6
163.11223	3.4
163.14893	1.3
165.09154	2.5
165.12634	1.0
167.10614	1.0
171.11679	1.7
175.11188	5.4
175.14847	1.5
179.10645	1.6
189.12727	1.7
203.18011	7.0
213.16422	3.3
221.19038	1.9
223.14856	0.9
231.17479	7.6
241.15991	1.7
249.18518	11.5
277.18008	80.0
278.18439	1.7
295.19055	10.5
297.19595	1.2
351.21683	13.1
369.22824	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	369.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	12.7
55.01878	6.0
55.05514	20.3
67.05507	60.4
69.03415	10.2
69.07056	15.3
69.41683	9.3
69.42091	15.7
71.04966	6.6
79.05498	94.9
81.03417	27.8
81.07058	50.7
83.04972	11.7
83.08598	11.8
85.02889	8.9
85.06554	4.0
89.06043	3.5
91.05482	76.1
93.06481	6.3
93.07048	100.0
95.04966	24.3
95.08615	22.4
97.02869	15.9
97.06535	8.0
97.10182	5.7
99.04460	5.3
103.05439	4.2
105.04554	3.4
105.07034	52.7
107.04967	10.5
107.08595	25.8
109.02885	29.9
109.06505	14.7
109.10136	9.1
117.07000	9.9
119.08594	30.0
121.10135	8.9
123.08076	7.9
127.03915	34.3
128.06163	5.0
129.06999	24.1
131.08591	8.2
133.06512	16.7
133.10136	11.0
135.11682	6.3
143.08569	10.1
145.10100	17.4
147.11687	68.2
149.05991	68.9
159.11659	7.8
161.09644	6.8
161.13246	13.5
161.33276	4.1
163.11203	3.4
171.11673	51.5
185.02901	3.7
189.12741	25.9
193.04947	4.4
207.13812	70.3
283.06314	4.2
322.37772	3.5
327.67398	3.6
351.17764	4.7
369.24615	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	368.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
55.01863	9.9
55.05519	21.2
57.07056	5.0
60.08165	15.3
67.05505	42.8
69.07076	24.6
69.74269	23.9
69.86203	3.9
71.04996	9.7
78.50338	4.1
79.05487	19.5
81.07066	79.6
83.00599	3.8
83.04993	5.7
83.08630	14.7
85.06560	8.6
91.05497	24.3
93.07062	20.9
95.08614	100.0
97.06532	13.7
98.20831	6.3
105.07038	29.1
106.88674	4.2
107.08577	15.0
109.10189	8.7
111.08122	4.6
119.08578	30.6
121.10120	11.8
123.08092	9.5
128.60796	4.4
131.08574	6.2
133.10126	25.6
135.11687	20.4
137.13254	16.4
145.10129	7.8
147.11694	5.2
159.11745	4.7
159.47963	4.4
161.13275	77.1
179.14313	88.7
198.18427	4.1
207.13896	8.3
211.16942	14.2
301.21646	10.4
319.22583	10.9
333.24271	7.1
368.42578	72.7
370.25150	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	368.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06828	0.4
57.07082	4.4
58.06597	1.3
60.08168	18.6
70.15881	1.4
71.08633	2.3
85.10174	1.1
91.05468	0.9
95.08620	0.4
158.18481	0.3
183.05791	0.3
190.47127	0.3
194.88179	0.3
226.96121	0.4
233.82106	0.3
368.42523	100.0
369.29559	0.6
369.42850	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	4.9
55.05506	13.3
57.03424	21.0
57.97210	4.7
59.48742	4.7
67.05507	27.5
69.03419	7.7
71.26476	12.1
79.05473	16.6
81.07042	18.8
83.08651	5.3
85.02879	5.9
85.06536	18.4
85.21723	4.5
88.48358	5.8
91.05463	11.0
93.07033	15.8
95.04964	40.4
95.08580	12.8
96.16839	4.3
97.06509	8.0
105.06995	6.9
107.08592	7.8
109.06518	27.3
109.75684	4.9
113.06010	99.2
121.06478	6.7
131.08537	9.4
133.10112	5.1
135.08086	30.2
164.73460	5.4
273.18506	33.0
291.19537	100.0
305.21097	20.6
324.01819	5.4
350.23782	5.6
368.42465	6.6
388.50635	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	368.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	49.0
57.13786	34.4
59.83452	31.0
67.05499	78.1
69.07057	34.8
70.04530	82.3
70.04925	77.1
79.05471	63.9
81.07050	96.2
91.05501	62.3
93.07033	96.8
94.07393	44.7
95.04979	55.5
95.08600	64.7
98.20774	64.5
105.07027	84.6
107.08617	50.9
119.08578	98.4
120.08920	54.2
121.10159	46.5
131.08549	44.3
133.10136	85.1
145.10144	39.6
146.10501	34.8
147.11691	55.1
148.12018	34.1
157.09996	33.7
158.10396	35.5
185.49559	35.4
197.13297	35.5
223.14764	39.5
368.42560	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33852	7.4
52.14656	7.3
52.33608	6.5
55.05515	14.0
57.03445	8.2
57.07067	13.2
67.05505	24.1
69.07056	27.7
71.53255	9.9
74.96726	9.3
79.05503	15.6
81.03461	7.7
81.07068	31.7
83.04951	10.6
83.08585	8.2
88.82032	6.9
91.05491	80.7
93.07027	12.3
94.07383	10.1
95.04976	14.0
95.08606	23.7
105.07002	7.5
106.06631	8.4
108.08154	10.5
109.10167	10.9
112.11277	9.8
151.11177	11.0
175.35974	7.2
182.84201	6.8
216.92891	7.3
262.19049	8.6
294.21552	9.2
312.32727	50.8
337.03189	8.5
368.34756	16.3
368.38837	100.0
368.42633	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	368.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.0
55.05506	2.5
57.03426	2.8
57.07057	1.2
59.04992	2.2
61.02932	1.7
61.38367	1.1
67.05521	2.6
69.03429	8.2
69.07079	10.0
71.04995	1.9
71.08939	3.2
73.02929	1.3
79.05482	2.7
81.03426	2.7
81.07047	4.3
83.04956	1.2
83.08633	3.3
85.02911	30.5
85.06544	1.8
87.00824	1.9
87.04463	1.4
90.05565	1.3
91.03960	1.7
91.05507	3.8
93.07053	16.3
95.08620	11.0
97.02930	7.7
97.06536	20.6
98.97596	3.4
99.04442	1.3
105.01893	3.1
105.07014	1.8
107.04958	1.5
107.08597	25.3
109.02885	2.0
109.10168	15.1
111.11768	1.9
119.87956	1.4
127.03946	12.4
130.85146	1.2
135.08002	1.1
135.11705	56.6
145.04965	11.8
145.33800	1.2
147.04401	3.6
153.09103	2.6
153.12755	100.0
163.05997	7.5
167.07097	2.5
171.10185	4.2
171.13849	7.7
177.05441	1.4
177.84920	1.2
178.04990	4.4
189.11288	2.2
190.51599	1.2
206.04486	5.4
231.04994	1.6
273.96255	1.4
276.10645	1.3
369.11499	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	368.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80244	0.8
53.03942	1.2
55.01883	1.3
55.05519	6.3
56.48603	0.8
56.86219	0.9
57.07079	1.0
58.66682	1.0
59.04995	1.6
60.96854	0.8
61.46764	0.8
67.05512	3.7
69.03413	3.8
69.07072	10.6
69.41556	5.2
69.41963	2.0
70.06621	2.0
71.05000	17.1
72.25491	0.9
73.06541	3.0
79.05506	4.7
81.03430	2.2
81.07063	21.1
83.04987	1.7
83.08611	3.2
84.08961	1.6
85.02918	7.4
85.06547	3.5
87.00833	1.5
91.05489	3.9
93.07051	17.2
95.08595	4.7
97.02930	1.9
97.06527	3.5
98.97602	1.3
99.04449	1.2
101.09636	1.2
105.01889	1.9
107.08607	11.1
109.02888	2.1
109.10165	3.2
111.08111	2.6
121.02908	1.1
125.09650	1.8
127.03905	4.1
128.04280	1.1
129.09103	2.8
135.10689	1.8
135.11705	23.0
136.07549	1.9
139.34007	1.1
145.02837	1.4
145.04990	1.8
147.09189	1.3
149.05974	1.0
153.12753	100.0
162.05508	1.4
164.07072	2.1
171.10185	6.6
171.13857	2.0
177.05505	2.0
182.08163	1.8
188.06952	1.1
189.11223	3.6
190.05038	1.4
195.79289	1.0
206.03917	1.5
207.06276	1.1
246.08501	1.5
264.09595	1.8
282.15335	2.1
369.15195	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	368.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.3
55.05506	6.9
57.03429	9.2
57.07079	5.8
61.02913	3.3
67.05488	9.0
67.78966	2.4
69.03442	15.9
69.06725	3.2
69.07071	41.9
69.87809	5.5
69.88203	4.1
71.05001	17.4
71.08620	11.1
73.02897	2.4
79.05474	6.3
81.03403	7.0
81.07054	9.8
83.04966	3.9
83.08614	11.9
85.02428	3.7
85.02908	48.3
87.00832	16.5
88.65202	2.0
89.06032	37.5
91.05474	3.6
93.07051	14.2
95.08620	14.9
97.02890	16.1
97.06522	10.6
99.04458	6.3
99.08083	11.5
105.01871	25.4
105.06979	3.5
107.08596	14.6
109.02896	13.0
109.10168	19.7
111.08080	4.8
111.11704	8.9
114.09132	2.6
119.03431	2.5
127.03928	32.2
129.01808	2.2
133.10202	2.3
135.11714	38.9
137.05968	5.6
145.05014	12.7
145.12253	33.3
153.12759	55.2
159.02914	3.9
161.05995	13.6
171.13809	100.0
189.14891	14.0
207.13770	4.1
219.06555	3.8
231.05005	8.7
249.05807	2.4
293.93887	2.3
308.22156	7.0
333.31815	2.0
340.16208	2.1
368.24481	11.4
368.28366	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.0
55.01870	6.4
55.05510	7.0
57.03434	7.2
57.07070	3.1
60.00819	1.6
61.02929	5.2
67.05509	4.2
68.99783	2.6
69.03436	34.2
69.07070	14.6
71.04997	6.2
71.07687	3.5
71.08628	3.9
73.02913	5.3
79.05488	3.7
81.03416	19.3
81.07066	6.3
83.04996	2.5
83.08615	5.7
85.02908	100.0
87.00834	42.6
87.04465	3.6
91.03923	1.8
91.05485	3.0
93.07044	6.0
95.08611	4.2
97.02892	29.8
97.06546	6.3
97.10160	5.2
98.62829	1.5
99.04450	12.4
99.08138	2.6
101.02393	5.9
105.01871	73.0
105.07108	1.5
107.04832	1.8
107.08598	5.5
108.04491	2.7
109.02888	25.9
109.10169	6.7
111.08102	2.1
111.11733	2.1
117.01859	2.5
119.03437	13.3
119.08756	1.8
125.09641	2.5
127.03920	82.2
129.01862	3.3
135.11687	14.9
145.04968	36.3
145.12280	7.9
147.02922	2.1
153.12764	20.1
159.02892	11.4
161.06012	4.1
171.13797	44.5
171.17422	3.1
189.03999	3.4
189.14888	6.0
209.94917	1.8
213.03914	2.2
231.05020	25.9
247.13562	1.8
247.17073	2.7
249.06065	7.3
368.12079	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	368.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.4
55.01862	6.9
55.05515	24.9
56.05841	2.9
57.03424	4.1
61.02927	5.6
67.05489	2.1
68.99820	1.4
69.03084	2.2
69.03434	35.1
71.04988	4.2
71.53382	2.9
73.02918	6.0
79.05496	2.0
80.05008	1.6
81.03410	21.4
81.07044	1.9
82.06585	3.1
83.05002	2.5
83.08618	6.5
85.02912	100.0
85.10155	1.8
87.00837	45.2
93.05801	1.5
93.07047	2.3
97.02908	30.0
98.01383	1.5
98.09673	2.4
99.04443	12.8
100.07605	1.7
100.11272	15.2
105.01873	82.8
109.02879	23.7
110.06042	2.1
111.04480	3.8
112.07607	1.5
117.01812	1.8
120.04488	1.7
121.06507	5.8
127.03923	66.7
129.01816	2.6
142.08601	1.8
145.04973	33.1
147.02866	1.9
147.04425	1.6
159.02914	9.6
164.03465	6.4
182.15425	3.9
189.03967	3.6
190.05028	1.9
199.01715	3.8
199.07295	1.6
213.03969	3.2
231.05005	27.0
238.07114	2.6
245.13168	2.8
245.63196	4.7
249.06012	10.7
258.11221	4.1
280.11234	1.5
286.14426	2.2
306.20670	4.5
332.14929	5.3
349.71219	1.9
350.15973	22.6
358.71481	18.2
359.21466	7.3
359.71854	2.7
367.72104	90.1
368.17407	4.2
368.22009	58.8
368.72141	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	367.2844
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
55.01868	1.4
55.05515	12.7
57.07077	5.1
60.45621	1.0
65.48104	1.2
67.05507	14.4
69.03453	1.0
69.07071	17.3
70.03609	3.8
71.04990	1.9
71.08629	10.8
72.08164	1.6
72.43845	0.9
79.05491	8.7
79.53718	0.9
81.03407	1.1
81.07056	22.4
83.04976	4.0
83.08620	9.0
85.06540	3.3
91.05489	5.6
93.07040	12.1
95.04978	2.4
95.08611	21.1
97.06522	3.1
97.10162	3.1
98.09693	2.6
99.08100	12.8
99.10022	1.2
105.07043	6.3
107.08614	13.7
109.06512	6.9
109.10146	9.9
110.58259	1.3
111.03551	1.0
111.04385	1.5
111.08109	3.1
117.07022	2.5
119.08572	7.9
121.06544	1.6
121.10153	7.0
122.07270	1.2
123.08071	23.9
123.11706	3.4
125.09631	2.1
131.08560	3.4
133.10143	10.1
135.08066	5.8
135.11705	3.6
137.09576	2.8
137.13280	2.7
139.07547	1.6
139.11171	1.3
140.10629	1.1
145.10138	4.2
147.11700	3.8
149.09613	3.9
149.13229	3.0
151.11252	1.5
153.12759	4.3
157.10179	2.0
159.11726	3.2
161.09708	1.3
161.13274	2.7
163.11169	2.7
163.14899	2.7
165.12752	1.8
167.14308	1.8
173.13393	1.7
175.14847	1.9
177.12807	1.6
178.13097	1.2
179.14311	29.8
181.12305	1.7
189.16406	2.1
191.14330	2.9
193.15865	2.8
195.13803	1.5
201.16512	1.1
223.20604	1.2
251.20105	11.6
275.20093	2.3
293.21033	9.9
293.28387	4.6
303.26837	12.2
321.27927	4.9
331.26328	43.0
349.27386	100.0
350.27649	1.3
367.28491	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	367.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	2.1
53.03951	5.0
55.01883	2.3
55.05515	19.9
57.07076	11.5
59.04980	2.9
65.03936	4.7
67.05510	35.3
69.03415	8.8
69.07067	19.8
69.77457	11.1
71.04987	3.3
71.08659	2.2
79.05498	34.4
81.06588	3.1
81.07062	49.7
83.04989	4.4
83.08623	7.9
85.06535	6.0
91.05489	48.6
93.06477	4.2
93.07049	68.9
95.04977	34.5
95.08610	55.9
97.06546	11.0
98.21437	2.7
103.05476	4.6
105.07037	88.4
107.08599	55.6
109.06527	12.1
109.10155	41.8
111.08089	4.1
115.05461	5.8
116.06244	4.2
116.36440	2.3
117.07013	18.0
119.04984	2.7
119.08585	100.0
121.06497	9.6
121.10150	49.3
121.10782	1.2
123.08067	4.2
123.11705	13.7
127.33690	2.0
128.06252	10.1
129.07011	17.8
130.07774	8.8
131.08571	57.9
133.10136	59.7
134.10968	2.2
135.08070	19.2
135.11702	22.9
137.09610	5.9
139.11153	2.8
141.06963	5.4
142.07776	19.8
143.08563	41.3
144.09343	8.8
145.10132	67.6
145.28578	2.2
146.07277	7.2
147.08067	10.5
147.11670	21.2
148.91835	2.1
149.09633	18.4
149.13258	3.7
155.08531	12.4
156.09349	14.8
157.10141	52.3
158.10930	8.8
159.08067	7.0
159.11696	39.3
161.09622	41.5
161.13255	11.8
163.11240	2.3
163.14832	2.8
167.08577	7.3
167.64737	2.0
168.09296	3.3
169.10146	22.8
170.10918	8.7
171.11708	26.6
172.12486	3.8
173.09639	6.7
173.13246	29.9
175.11218	8.6
175.14822	18.4
177.12759	2.2
179.08565	9.3
181.10127	8.2
182.10930	8.5
183.11694	24.9
183.90726	2.6
184.12489	4.3
185.09657	4.3
185.13245	15.6
185.83669	2.4
187.11256	3.7
187.14832	17.8
189.12746	7.1
189.16312	2.7
191.14413	2.9
193.10187	3.7
194.10944	8.1
195.11639	13.0
196.12547	4.1
197.13258	16.9
199.11179	5.2
199.14842	13.4
201.12778	5.9
201.16420	6.1
207.11697	3.5
209.13258	18.6
211.11322	2.3
211.14815	10.0
213.12791	6.9
213.16347	5.9
215.14262	2.5
219.11765	2.7
221.13315	2.6
223.14845	7.7
224.15572	2.6
225.16423	5.1
227.14346	20.7
237.16415	5.0
239.17924	8.3
241.15788	2.5
247.14970	2.8
249.16254	3.8
251.63446	2.7
253.19501	3.0
255.17531	9.0
257.18985	6.3
265.19434	5.8
266.20190	2.8
267.17480	4.0
269.18994	2.9
275.17795	2.8
293.19070	3.0
331.23840	2.5
349.25113	10.8
350.31903	2.2
367.26480	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	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43665	2.6
55.01877	7.7
55.05523	19.9
57.03425	4.8
59.05001	3.2
65.03919	4.5
67.05511	39.1
69.03411	4.1
69.07081	20.3
71.54475	2.8
79.05521	26.4
81.07057	55.9
83.04999	4.2
83.08615	10.5
85.06534	4.8
91.05482	43.3
93.07046	46.9
93.07577	6.1
95.04964	9.9
95.08617	38.4
97.06544	8.5
97.10184	4.9
105.07035	55.4
107.04914	6.2
107.08591	27.8
109.06545	4.4
109.10155	14.9
110.92706	2.9
111.08121	3.9
117.07022	13.2
119.08590	53.4
121.06461	4.4
121.10136	14.6
123.08071	6.1
123.11717	4.3
125.09634	5.4
131.08568	16.3
133.10153	37.5
135.08072	8.8
135.11691	12.0
137.09514	3.8
143.08609	6.2
145.10106	23.7
147.11690	19.2
149.09587	10.7
149.13295	4.2
151.11205	5.6
157.10085	3.9
159.11719	19.6
161.09612	3.6
161.13284	8.9
163.11238	5.9
169.10083	3.7
171.11678	7.3
173.13293	7.9
175.14821	3.4
177.12706	6.2
179.14374	3.7
183.11729	4.8
189.16501	4.2
197.13258	6.2
199.14980	3.7
215.17889	3.5
227.81401	3.1
239.17957	11.2
247.20712	3.8
247.64290	3.2
249.18532	5.2
257.19077	16.0
275.20062	100.0
276.20413	6.6
289.21588	59.4
290.21863	5.3
293.21100	3.7
307.22397	7.0
321.26114	4.7
367.26834	29.0
367.30893	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
55.01876	29.6
55.05516	24.0
57.03440	33.0
65.03956	4.6
67.05511	53.4
69.03413	4.8
69.07079	29.3
69.42731	19.7
71.05025	6.4
79.05499	50.2
81.07065	76.8
83.04984	9.0
83.08639	23.0
84.18270	3.5
85.06576	7.4
86.06007	3.3
91.05495	45.4
93.07049	55.4
95.04977	13.9
95.08617	35.5
97.02883	3.7
97.06538	42.3
97.10169	6.4
99.08102	4.7
105.07046	49.2
105.15776	3.0
107.04951	18.7
107.08605	47.6
109.06500	13.3
109.10178	20.6
111.08087	6.5
117.07022	18.7
119.08601	38.2
119.83685	3.0
121.06523	7.9
121.10152	25.0
123.08083	9.1
123.11691	7.1
125.09630	8.9
129.07037	14.0
131.07056	3.8
131.08583	28.0
133.10156	27.0
135.08047	10.8
135.11679	10.0
137.09641	4.3
143.08551	9.6
145.10158	27.6
147.11740	19.4
147.35045	2.9
149.09627	29.3
149.13232	7.9
155.08490	3.0
157.10194	7.0
159.11722	27.7
161.13252	11.6
163.11203	13.7
165.12723	4.3
171.10175	7.2
171.11644	6.7
173.13261	12.7
175.14816	5.1
175.33545	3.4
177.12787	3.6
183.11653	7.7
185.13312	18.8
189.11183	6.4
195.13924	3.5
197.13248	6.3
203.14284	7.9
219.17494	16.6
229.19521	5.9
239.18011	7.3
247.20573	4.3
253.17958	3.7
257.19028	24.7
259.01541	4.0
269.17642	4.1
275.20090	100.0
293.20584	12.3
349.23810	66.7
367.14932	4.1
367.25067	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56992	3.5
53.03938	6.6
55.01868	10.9
55.05270	5.0
55.05512	68.5
57.03445	24.6
65.03918	6.5
67.05510	89.8
69.07072	37.6
69.63663	15.3
71.04977	7.6
71.08635	52.7
79.05499	71.2
81.03414	11.9
81.06596	5.0
81.07060	91.2
83.04968	15.9
83.08636	18.4
91.05471	38.9
93.07052	43.0
95.04960	16.6
95.08619	40.8
97.06520	13.1
97.10181	28.7
99.08095	31.3
105.07048	29.5
107.04937	11.4
107.08601	45.9
109.06516	7.5
109.10155	28.8
111.08060	6.5
117.07001	15.4
119.08562	26.4
121.06474	6.5
121.10122	16.3
123.08058	4.8
123.11711	8.2
125.09630	30.5
125.33360	3.6
127.11124	3.9
129.06989	4.3
131.08548	12.6
133.10164	26.3
135.08066	9.1
135.11691	8.5
143.08553	6.3
145.10101	14.8
147.11673	12.0
149.09586	14.7
149.13312	5.6
151.11153	11.9
156.37671	3.6
159.11722	9.1
161.13237	5.4
161.51138	3.9
163.11171	11.0
165.12726	9.4
171.10191	6.3
171.11612	5.5
173.13228	6.7
177.12723	6.3
189.11226	26.8
195.13718	4.6
208.13310	8.1
229.19476	5.3
239.17851	5.3
247.20584	7.8
267.16046	4.9
269.17383	3.8
275.20093	60.6
293.21124	100.0
349.23624	11.2
367.24896	62.0
368.24319	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	367.248
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
53.03934	2.3
55.01868	4.1
55.02112	1.0
55.05271	1.7
55.05517	23.1
56.96222	1.0
57.03448	7.5
57.07073	2.5
58.01517	0.9
58.16468	0.9
59.04964	1.0
67.05511	21.8
69.03429	3.2
69.07072	18.8
69.33906	8.1
71.08638	38.3
74.51380	1.1
75.07746	0.8
79.05503	17.6
81.03426	7.9
81.07063	22.1
83.04990	4.8
83.08630	9.1
85.06526	1.5
91.05483	10.4
93.07063	13.0
95.04977	4.9
95.08607	10.3
97.02921	1.0
97.06532	2.3
97.10161	9.8
99.08096	30.1
99.08755	1.5
105.07044	7.1
107.04951	3.2
107.08604	10.4
109.06538	1.5
109.10168	6.3
111.04473	1.6
111.08106	2.3
112.99750	0.9
117.07021	3.1
117.85284	1.0
119.08575	3.8
121.06533	2.9
121.10130	4.6
123.08092	1.5
123.11684	1.2
125.09626	8.7
129.07072	1.4
131.08601	3.1
133.10136	2.5
135.08070	1.2
135.11716	2.2
137.09686	1.4
139.11188	1.9
141.09071	1.3
145.10130	3.6
147.11679	1.4
147.21495	1.0
149.09621	1.2
149.13269	1.8
151.11179	3.2
153.09151	1.5
157.10065	0.9
159.11722	2.3
163.11197	1.9
165.12817	1.8
167.10701	3.4
173.11871	1.3
177.12793	4.2
189.11246	6.1
193.12332	1.6
195.13849	2.8
222.74152	0.9
227.12668	1.2
247.20740	1.3
257.18985	2.1
265.21710	1.7
275.20087	13.6
291.19424	1.2
293.21127	100.0
294.21393	1.4
313.35910	1.0
349.23917	1.3
367.21027	3.9
367.24854	44.8
368.25070	1.7
372.81741	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.3
53.92838	1.6
54.67682	1.5
55.05515	100.0
56.33667	1.5
57.03450	9.0
57.07072	1.6
58.03883	1.8
67.05511	14.0
69.07057	8.5
70.72163	3.5
79.05495	9.7
80.22375	1.8
80.76660	1.7
81.07066	34.1
83.04985	3.4
83.08148	2.9
83.08625	46.0
91.05483	12.2
93.07044	9.6
95.04974	2.6
95.08606	10.9
97.02821	1.5
97.06528	4.5
105.07030	16.1
107.08598	6.9
109.06501	2.5
109.10156	5.0
111.08136	1.7
119.08575	10.8
121.10110	10.7
123.08118	1.9
123.11684	11.8
128.74290	1.7
129.07033	1.8
131.08571	3.1
133.10127	3.2
135.11736	3.8
137.13275	2.7
143.08531	1.9
145.10121	2.2
147.11690	31.2
149.13277	2.2
165.12756	25.2
173.13362	1.7
175.03128	1.6
175.11217	2.0
183.13824	5.4
187.14955	2.1
193.12149	3.8
221.20172	1.6
229.14355	10.4
263.23785	2.4
267.15964	10.0
275.20139	4.5
285.17010	9.1
286.38910	2.0
293.21045	2.8
310.07144	1.9
367.24756	22.3
382.74609	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.7
55.01634	1.9
55.01877	23.4
55.05515	42.9
57.03439	27.8
57.07072	8.4
58.77490	1.7
61.23758	1.3
65.03928	3.9
67.05507	100.0
69.03416	5.8
69.07074	26.2
69.59809	8.7
69.96970	1.2
71.04997	10.8
71.08636	12.7
79.05496	58.0
81.03419	17.9
81.07059	95.8
81.26945	1.5
83.04984	22.1
83.08624	19.6
85.02896	2.5
85.06544	12.0
85.10168	2.0
91.05486	88.5
93.07047	52.7
95.04970	25.3
95.08608	42.5
97.02884	5.7
97.06544	12.1
97.10165	8.3
98.20818	3.1
98.55511	1.6
99.04466	2.3
99.08092	11.4
103.05502	2.2
105.04504	2.5
105.07036	66.4
107.04411	1.6
107.04973	18.6
107.08601	49.8
109.06519	11.6
109.10160	56.8
111.04435	4.9
111.08081	6.1
113.06013	3.2
113.09646	3.3
117.07023	11.3
119.08578	21.3
121.06506	6.1
121.10151	19.9
123.04422	2.3
123.08079	12.1
123.11711	14.1
125.09642	17.0
127.07592	1.6
128.06239	2.0
129.06953	5.1
131.08572	16.4
133.06477	3.6
133.10138	96.2
135.08055	6.1
135.11710	13.2
137.05984	1.7
137.09624	18.4
137.13269	1.8
139.11259	1.8
141.06993	1.6
141.09111	1.7
142.79402	1.5
143.08586	3.7
145.10136	12.3
147.08063	3.2
147.11693	10.5
149.09595	11.4
149.13242	5.3
151.11192	57.1
153.12784	2.5
155.08537	2.3
157.10109	2.4
159.08061	1.8
159.10579	1.4
159.11691	7.7
161.09613	4.6
161.13283	5.1
163.11191	13.0
163.14803	4.6
165.09131	6.7
165.12775	4.1
167.14308	1.8
169.10210	2.5
169.12260	9.2
171.11641	3.1
173.09653	2.6
173.13261	6.1
175.11169	2.5
175.14783	1.7
177.12743	6.1
177.72055	1.6
179.10666	4.4
179.14311	2.9
181.12172	2.4
191.10753	2.3
191.14351	2.4
193.12280	2.3
195.13818	4.4
199.13335	2.1
201.12785	1.9
205.12234	1.7
207.13823	1.7
209.11760	2.7
215.12619	2.3
219.13808	1.6
229.19530	4.9
247.20659	7.2
253.14441	9.4
257.18930	7.1
265.21457	2.0
267.15988	2.4
275.20065	46.0
293.21170	12.9
349.23773	13.1
367.24808	76.5
368.25085	1.8
387.07001	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Betaenone A
Peak:m/z	Relative Intensity
53.03938	9.9
55.01880	36.0
55.05518	28.6
57.03432	9.3
64.62611	2.7
67.05179	4.5
67.05511	48.6
69.07076	30.6
70.17349	10.0
71.04992	2.9
79.05500	43.7
80.26696	2.7
81.03416	9.1
81.06586	4.7
81.07063	88.1
83.04987	4.6
83.08640	14.1
85.06544	4.9
91.05491	55.9
93.07047	44.8
95.01347	5.1
95.04969	14.2
95.08611	40.3
97.06534	40.9
97.10165	4.2
101.72731	2.6
104.28783	2.5
105.06396	4.6
105.07049	62.7
107.04961	16.5
107.08595	29.6
109.06517	11.4
109.10162	14.4
111.08051	3.5
117.07011	19.4
119.08598	38.6
121.06547	4.6
121.10143	14.6
123.08053	7.8
123.11698	4.7
124.44022	2.7
125.09621	6.0
129.07034	3.3
131.08589	23.8
133.10132	42.6
135.08054	10.3
135.11679	11.4
137.09605	10.2
145.10121	26.0
146.43515	2.8
147.11700	23.2
149.09616	21.4
149.13345	6.5
151.11220	3.9
157.10147	5.4
159.11702	12.8
161.09619	3.7
161.13255	6.9
163.11174	9.4
171.11555	3.0
173.13266	8.3
175.11035	3.0
177.12712	6.7
179.14319	11.7
183.11720	4.7
187.11279	5.4
205.12292	4.1
225.80551	3.3
229.19518	3.2
239.17889	6.4
247.20592	9.5
257.19061	15.7
269.17307	5.3
275.20078	100.0
293.21115	6.2
349.23755	63.5
367.24878	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.4
55.01878	20.5
55.05516	36.5
55.49105	2.3
57.03440	21.6
57.07078	2.4
57.18119	2.0
58.98583	2.5
59.86299	2.3
61.02924	3.5
61.97596	2.1
65.03952	3.4
67.05508	73.8
69.03429	6.7
69.07073	37.9
69.39523	17.8
71.04991	5.7
71.08631	15.3
73.02927	4.9
79.05495	62.8
81.03427	6.9
81.07062	100.0
83.05013	13.1
83.08635	15.4
85.02896	7.1
85.06541	3.1
91.03950	3.9
91.05485	49.2
93.07045	55.3
95.04979	14.7
95.08614	50.2
97.02901	3.8
97.06543	19.7
97.10168	9.1
99.08096	15.2
105.07037	55.9
107.04950	16.8
107.08608	36.0
109.06538	15.9
109.10156	24.8
111.08066	5.0
117.07001	14.5
119.08596	36.7
121.06527	9.3
121.10123	18.9
123.08095	6.7
123.11725	5.9
124.89791	2.4
125.09621	7.6
129.06999	4.9
131.08591	23.9
133.06433	3.3
133.10138	39.6
135.08092	8.5
135.11734	13.7
136.45363	2.6
137.09602	8.2
137.13278	5.1
141.06903	2.2
143.08575	3.5
145.10136	22.3
147.11674	15.3
149.09610	16.4
149.13255	9.2
151.11182	11.9
157.10155	6.6
159.11711	12.3
161.13292	7.4
163.11151	16.5
165.12762	4.1
169.10135	4.6
171.10272	3.7
171.11717	7.3
173.09621	3.4
173.13324	6.7
175.11267	3.4
177.12769	5.3
179.14391	3.6
183.11684	2.6
189.11263	5.8
195.13795	4.6
197.13310	2.9
219.13467	2.9
227.12772	3.1
229.19661	6.4
239.17984	5.1
247.20610	11.9
257.19077	15.2
265.21753	3.8
269.17471	8.4
275.20081	93.8
281.17419	5.5
293.21115	58.8
349.23776	33.5
367.24844	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	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01871	3.8
55.05515	22.7
57.03442	6.2
59.04993	1.1
65.03917	1.0
67.05136	0.7
67.05507	17.8
69.03421	2.4
69.07073	21.6
69.49544	5.0
71.04980	0.9
71.08637	24.9
73.65746	0.7
79.05067	1.1
79.05498	13.0
81.03431	4.1
81.07062	13.8
83.04979	4.0
83.08617	6.5
85.15502	0.7
89.67283	0.7
91.05467	6.7
93.07052	9.8
93.39914	1.0
95.04978	4.7
95.08619	7.4
96.41375	0.6
96.86274	0.8
97.06521	1.9
97.10178	9.3
99.08096	19.0
105.07037	4.1
107.04953	1.8
107.08614	8.1
109.06530	2.1
109.10177	5.9
111.08080	1.6
117.07014	1.8
119.08580	3.0
121.06510	2.3
121.10152	2.8
123.08031	0.9
123.11690	1.4
125.09593	6.8
131.08585	2.8
133.10126	3.2
135.08055	1.6
135.11693	2.5
137.09564	0.8
139.11194	2.1
145.10126	1.6
147.11684	1.3
149.09624	1.3
149.13266	1.4
151.11182	1.4
155.10616	0.7
159.11688	1.6
165.12750	1.2
167.10703	3.3
173.11749	0.7
177.12796	2.7
179.10632	1.0
189.11243	3.1
195.13812	1.5
205.12288	0.8
247.20537	1.2
257.19208	0.8
265.21674	1.2
275.20123	9.0
293.21127	100.0
294.21432	1.2
367.24799	41.8
368.24991	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.2
55.01870	5.6
55.05264	1.5
55.05516	21.5
55.26820	0.8
57.03444	9.2
57.07076	2.0
63.51732	0.8
67.05511	23.4
69.03442	4.4
69.07072	16.0
71.04997	1.6
71.08637	36.5
79.05501	14.6
81.03421	9.9
81.07066	21.0
83.04997	4.7
83.08627	7.3
91.05488	10.5
93.07047	11.6
95.04984	6.4
95.08610	9.3
97.06550	2.9
97.10171	9.1
98.21541	1.5
99.08101	28.9
105.07059	6.0
107.04951	3.1
107.08596	9.2
109.06537	2.5
109.10174	6.3
111.08080	2.0
114.30029	0.9
117.07031	3.1
119.08607	3.1
121.06522	3.7
121.10168	3.3
123.11726	1.4
125.09669	8.9
131.08607	3.2
133.10141	4.0
135.08075	2.0
135.11687	0.9
136.40254	0.9
139.11174	2.2
145.10103	1.2
147.11710	1.5
149.09657	1.7
149.13258	2.2
151.11168	4.3
157.10143	1.4
159.11774	1.8
161.03638	0.9
161.09610	0.9
162.23236	1.0
162.24661	1.2
163.11235	1.6
165.12796	1.3
167.10690	3.5
171.10239	1.8
173.13274	1.3
175.11217	1.2
177.12791	2.6
179.10921	0.9
189.11269	6.1
193.12297	1.9
195.13867	3.7
227.12825	1.6
275.20108	13.1
293.21124	100.0
294.21613	1.4
312.04318	0.8
367.24844	48.3
368.25104	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20691	2.0
53.03946	6.4
55.01884	10.0
55.05509	26.8
57.03441	17.5
58.00953	2.3
65.03944	2.6
67.05511	55.8
69.03426	7.0
69.07071	20.2
70.77364	5.4
71.04989	4.1
78.45177	2.3
78.45692	2.2
79.05496	47.4
81.03383	2.6
81.07059	100.0
81.77209	2.0
83.04993	6.9
83.08613	13.7
85.06552	3.5
91.05484	37.9
93.07051	44.2
95.04973	7.8
95.08614	34.4
97.06549	14.7
97.10139	3.3
99.08092	3.4
105.07040	40.5
107.04960	11.4
107.08591	29.3
107.98874	1.9
108.89481	2.2
109.06532	14.4
109.10168	19.4
111.08076	4.3
117.06994	12.3
119.08585	37.3
120.84195	2.0
121.06523	3.4
121.10166	16.7
123.08089	7.7
123.11730	6.7
125.09637	2.9
129.07034	5.9
131.08549	17.2
133.10136	27.1
135.08061	6.4
135.11711	11.6
137.09605	4.5
139.11211	2.7
143.08525	4.3
145.10114	19.0
147.08032	2.4
147.11716	21.7
149.09630	9.4
149.13280	9.1
151.11203	8.4
157.10136	7.4
159.11700	14.2
161.13339	4.8
163.11234	4.2
165.12764	3.6
169.10190	2.5
171.11746	6.0
173.13278	5.5
177.12767	4.7
187.14734	2.5
195.13841	3.3
235.16948	4.2
239.17815	3.4
247.20598	8.2
257.18997	11.6
269.17523	7.9
271.15308	4.6
275.20053	60.8
285.17151	2.5
293.21045	5.1
331.22620	2.3
349.23792	29.4
367.24869	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	367.248
Annotation	Betaenone A
Peak:m/z	Relative Intensity
51.79283	2.1
53.03938	4.0
55.01876	18.9
55.05515	33.5
57.03444	21.5
57.07078	3.5
58.85670	2.3
62.50200	2.5
65.03953	3.5
67.05511	62.8
69.03433	4.7
69.07072	36.4
70.17709	7.9
71.04999	5.9
79.05498	56.7
81.03407	4.1
81.07063	100.0
82.05620	1.9
83.04982	11.4
83.08633	15.0
85.06546	4.4
91.05489	44.2
93.07058	44.6
95.04977	14.9
95.08059	3.2
95.08620	42.1
97.06553	24.8
97.10163	8.2
99.08093	3.7
100.86852	2.1
103.03950	2.3
105.07034	47.9
107.04952	11.4
107.08599	41.1
107.45330	2.3
108.02423	2.0
109.06534	9.9
109.10153	21.2
111.08067	3.8
117.07041	13.6
119.07819	3.0
119.08598	40.1
119.09431	1.4
121.06490	5.1
121.10152	18.3
123.08073	7.5
123.11669	10.6
125.09618	9.6
127.32893	2.1
129.07018	5.1
131.08574	19.9
133.10152	29.1
135.08086	8.5
135.11687	13.8
137.09605	6.6
143.08583	3.5
145.10123	19.6
147.11688	25.2
149.09621	21.9
149.13264	7.1
151.11208	4.6
155.08463	2.6
156.47891	2.2
157.10103	6.2
159.11697	14.8
161.13300	5.3
163.11223	10.6
165.12810	3.7
169.10150	2.4
171.10197	6.5
171.11658	3.0
173.13315	8.6
175.11142	2.9
177.12790	4.7
181.12247	2.7
183.11816	3.8
187.11220	3.2
189.11206	9.5
195.13802	3.7
197.13242	2.9
227.12775	4.1
229.19540	4.2
239.17999	7.3
245.14012	2.6
247.20619	7.5
251.20021	5.1
253.17973	4.8
257.19052	13.8
267.15872	2.7
269.17487	5.1
275.20074	74.6
293.21091	7.6
349.23801	40.8
367.24829	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	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.7
55.01877	11.4
55.05514	29.0
56.96566	2.1
57.03446	20.4
57.07070	3.1
59.04987	8.7
63.02346	2.2
67.05512	71.9
68.89917	1.9
69.03418	7.6
69.06734	2.1
69.07074	35.4
71.04987	8.6
71.54279	2.4
71.54694	2.3
77.28607	2.2
79.05497	56.1
81.03418	5.8
81.07064	100.0
83.04984	9.5
83.08617	15.5
85.02921	2.2
85.06545	5.8
87.04431	2.8
87.20079	2.2
91.05487	46.5
93.07051	41.2
95.04961	7.9
95.08614	46.9
97.02882	2.1
97.06548	15.9
97.10178	10.0
99.08127	4.5
105.07040	40.3
107.04955	13.7
107.08600	36.7
109.06521	11.6
109.10168	26.5
111.08083	8.0
117.07026	12.9
119.08597	36.4
121.06517	7.0
121.10152	24.6
123.08067	8.5
123.11703	9.3
125.09629	9.3
129.07031	6.1
131.08572	20.9
133.06487	2.0
133.10130	30.0
135.08076	8.0
135.11719	10.0
137.05995	12.3
137.09601	7.0
137.95181	1.8
143.08511	5.7
145.06427	2.4
145.10133	18.8
147.08041	4.5
147.11684	26.4
148.93086	2.2
149.09612	16.0
149.13277	10.5
151.11157	6.1
157.10114	8.8
159.11745	14.4
161.09669	3.6
161.13243	5.7
163.11172	9.5
165.09178	2.5
165.12746	6.0
169.10196	3.9
171.10310	2.5
171.11688	5.3
173.11783	4.4
173.13297	7.3
175.11212	4.4
175.14827	2.3
176.19444	2.2
177.09114	2.1
177.12770	4.7
179.14276	3.0
183.11732	3.7
185.13321	2.6
187.14851	3.0
189.11128	3.9
195.12125	2.1
201.12906	2.2
215.17979	2.2
217.08620	3.9
229.14421	2.6
229.19438	3.9
239.17915	5.1
247.20628	3.5
257.19009	14.2
269.17526	4.5
275.20114	63.0
286.10431	2.8
293.21045	7.0
334.65762	2.3
349.23981	18.4
367.11432	4.1
367.15533	3.1
367.24948	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	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.9
55.01876	21.8
55.05512	31.4
57.03440	16.9
59.04980	4.0
62.33149	2.4
65.03945	4.6
67.05508	63.4
69.03430	5.6
69.06729	2.9
69.07069	30.4
70.78034	6.5
71.04988	6.8
71.05611	2.2
79.05495	52.3
81.07059	100.0
81.52119	2.7
83.04971	9.0
83.08622	15.4
85.06554	4.5
85.18666	2.4
91.05488	47.4
91.48172	2.5
93.07050	44.6
95.04958	11.1
95.08608	43.4
97.06541	32.5
97.10167	10.0
99.08086	3.8
105.07037	42.4
107.04950	15.8
107.08606	50.2
109.06494	17.3
109.10174	24.0
111.08106	4.6
115.05449	3.1
117.07015	11.9
119.08584	38.9
121.06498	7.2
121.10143	22.9
123.08069	8.2
123.11693	9.4
125.09596	6.8
129.07007	3.4
131.08575	20.5
133.06456	2.9
133.10147	32.3
135.08035	7.8
135.11688	9.7
137.09607	5.6
143.08543	4.9
145.10121	28.8
147.11693	27.6
149.09625	26.1
149.13258	10.6
151.11201	6.0
155.08572	3.0
157.10152	5.5
159.11726	14.1
161.09622	3.8
161.13242	7.8
163.11186	12.7
165.12704	5.0
165.56419	3.1
169.10065	3.5
171.10132	2.7
171.11711	4.8
173.13283	7.8
175.11200	4.6
175.14809	2.6
183.11627	2.3
185.13239	3.8
187.14809	3.8
189.11203	4.4
189.12704	2.7
193.12326	2.9
195.13818	2.8
197.13269	3.6
209.15800	2.5
209.17830	2.6
223.95300	2.6
227.12808	6.4
235.16949	3.4
239.17984	7.8
245.13820	3.3
247.20587	10.2
257.19034	17.7
258.86926	3.0
263.20050	2.9
265.21893	2.6
269.17462	3.9
275.20093	76.6
293.21158	6.6
349.23761	39.1
367.24872	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	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.2
54.08128	1.4
54.09029	1.2
55.01883	10.5
55.05511	24.9
57.03434	16.8
57.07075	3.7
59.04982	1.8
65.03930	1.9
65.12507	1.2
67.05510	54.9
69.03433	4.9
69.06727	2.6
69.07073	30.3
69.29100	8.7
69.29512	3.5
71.04993	3.5
73.02933	1.5
74.06053	1.7
79.05495	42.6
81.03415	2.6
81.07061	100.0
83.04977	7.8
83.08617	13.6
84.08146	1.3
84.89658	1.2
85.02921	1.6
85.06538	4.3
85.57406	1.2
91.05491	34.9
93.07047	34.4
95.04966	10.7
95.08601	34.5
97.02883	1.7
97.06529	17.0
97.10166	3.3
98.21461	2.6
99.08102	3.3
105.07034	35.0
107.04979	9.7
107.08603	26.8
109.06532	12.4
109.10158	15.8
111.08107	4.3
115.27282	1.3
117.07034	8.6
119.08586	27.2
121.06519	4.0
121.10141	20.8
122.36148	1.4
123.08094	9.2
123.11719	9.6
125.09631	4.5
127.07552	1.6
129.07008	5.5
131.08572	15.0
133.10138	23.6
135.08051	5.9
135.11678	9.9
137.05890	1.3
137.09592	4.3
137.13298	1.8
143.08565	3.1
145.10127	14.0
147.08015	2.3
147.11702	22.2
149.09642	14.1
149.13300	6.8
151.11176	2.8
153.01871	1.8
157.10127	5.1
159.11676	11.6
161.09645	3.0
161.13287	6.2
163.11237	8.7
165.12805	6.6
169.10107	1.8
171.11707	5.4
173.11868	1.8
173.13266	4.7
175.11212	3.3
175.14844	2.6
177.12781	4.1
183.11716	2.2
187.11237	2.4
187.14835	1.4
189.11221	2.5
189.12746	2.2
193.12102	2.0
195.13744	1.8
205.12222	3.0
229.19530	3.2
233.18903	1.4
239.17886	4.9
247.20621	5.8
249.84857	1.3
256.23633	1.5
257.19037	9.2
275.20078	56.0
293.21118	6.5
315.00803	1.4
349.23746	14.9
367.11920	2.4
367.20840	7.5
367.24844	51.4
368.25052	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Betaenone A
Peak:m/z	Relative Intensity
53.03944	6.3
53.61708	2.2
53.68682	1.9
55.01875	33.3
55.05512	40.3
57.03448	15.0
57.07057	2.8
59.04992	2.4
61.02935	3.6
65.03928	3.3
67.05509	64.3
68.05850	2.3
68.29475	1.9
69.03429	5.6
69.07072	39.2
70.05529	9.2
71.04985	3.3
79.05496	61.7
81.03412	5.2
81.07061	58.9
81.94360	1.8
83.04978	9.3
83.08624	17.7
83.28906	2.0
85.02897	2.8
85.06549	4.3
91.05482	40.4
93.07053	48.9
95.04960	9.5
95.08609	36.9
97.02892	2.0
97.06534	42.8
97.10171	14.6
99.08030	2.7
104.01289	2.0
105.07037	39.3
107.04963	19.9
107.08600	74.7
109.06545	7.3
109.10167	23.4
111.08093	3.1
117.07017	16.3
119.08589	39.7
121.06506	6.8
121.10159	18.2
123.08065	6.3
123.11725	7.7
125.09638	24.8
128.01949	2.1
129.06995	5.1
131.08577	23.2
133.10129	34.7
135.08069	8.6
135.11685	14.3
137.09628	4.3
137.13287	3.1
143.08543	9.7
145.06479	4.3
145.10112	35.3
147.11693	22.4
149.09628	53.8
149.13226	5.6
151.11194	2.3
157.06465	2.1
157.10118	6.6
159.11702	15.1
161.13260	8.0
163.11212	15.2
169.10136	5.1
171.07970	2.7
171.10172	9.1
171.11710	6.5
173.11841	2.8
173.13261	6.8
177.12738	2.5
179.14346	3.6
183.11714	5.7
185.13370	3.9
187.11232	3.7
187.13281	2.5
189.11208	19.4
189.12796	3.3
197.13318	5.0
211.14778	2.2
215.18034	3.3
219.17395	3.8
227.12770	8.3
229.19521	6.4
239.17923	7.8
245.13893	5.5
247.20689	5.0
251.20079	3.8
253.18013	4.5
257.18994	24.7
275.20062	100.0
293.21051	6.3
331.22562	3.1
349.23813	68.7
367.24707	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	367.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.6
55.05271	3.4
55.05513	52.5
57.03428	7.1
61.02924	8.6
67.05495	9.9
68.99783	4.0
69.03423	27.0
70.83448	2.8
71.05000	18.0
71.07565	6.2
72.08157	5.7
72.09935	3.1
73.02908	4.6
79.05489	9.4
81.03427	17.4
81.07056	18.3
82.35423	3.1
83.05000	3.5
83.08624	100.0
84.08109	4.0
85.02914	54.5
85.06544	5.4
86.09701	3.7
87.00845	31.5
91.05465	10.5
93.07052	7.7
95.04965	4.0
95.08600	6.1
97.02900	25.5
97.06522	7.6
99.04463	9.4
101.09660	75.2
105.01870	36.1
105.07018	5.1
107.08586	8.8
108.08869	3.4
109.02872	14.5
109.10121	5.9
115.03983	3.1
119.10726	15.8
121.10168	6.5
123.08107	3.4
125.09654	6.3
127.03925	36.3
129.01880	5.1
133.10175	5.5
135.11652	4.6
136.07510	3.2
145.04959	16.4
147.02884	6.5
147.04387	6.4
147.09174	22.7
151.07510	3.7
153.05528	4.1
155.10684	3.3
159.04385	5.8
163.07501	4.4
167.07115	4.2
169.12302	5.2
177.09082	3.8
187.13200	5.4
191.07053	12.2
193.08545	3.7
199.03893	3.2
205.08514	5.3
206.05739	9.4
217.08440	14.8
221.08179	7.5
229.09827	3.7
231.05013	10.9
245.08168	10.6
263.09103	21.8
271.10681	9.6
281.14981	30.4
295.22824	3.9
308.34573	2.8
317.11066	4.3
323.11349	3.9
335.12314	8.1
350.13400	8.4
367.09918	6.9
367.14243	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	367.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41277	1.1
56.96568	60.0
57.03405	1.6
61.02921	2.1
63.77704	1.4
69.03410	4.9
69.03794	1.2
69.60194	4.9
69.60619	3.8
70.06585	1.7
71.05005	1.5
71.95271	1.5
73.02909	2.3
81.03397	1.5
84.96035	4.8
85.02911	9.4
86.06050	1.8
97.02885	5.6
98.97588	69.3
100.98542	2.1
100.99154	27.2
101.00852	1.5
110.97569	34.7
111.11876	1.2
112.99137	11.2
115.00664	2.0
116.07113	1.5
116.98618	14.1
119.00204	6.3
124.99085	3.9
127.00671	3.7
127.03924	3.3
128.98618	18.3
131.00154	5.3
133.01701	1.5
134.99603	1.6
138.05476	2.5
139.00768	1.5
140.98581	3.9
143.00166	6.4
144.98013	1.4
145.01717	33.1
145.04994	2.3
146.51643	1.3
146.99632	3.8
149.01244	1.6
152.98611	3.9
158.99695	9.9
161.01239	4.6
163.02794	63.7
170.99675	10.3
173.01291	2.1
175.02786	2.3
175.06395	1.2
177.00690	4.0
179.02457	1.2
181.03839	14.1
184.61292	1.2
187.02823	4.1
189.00717	4.0
191.02303	2.0
191.05865	1.1
201.00688	12.9
205.03835	13.0
205.11880	1.6
217.03850	5.6
217.07288	1.7
219.01779	83.2
220.05937	1.4
223.04890	3.5
233.03441	1.6
237.02824	66.2
241.03946	2.0
245.03336	2.0
247.04858	4.0
248.05563	1.4
251.04318	3.5
255.03871	1.8
263.04419	5.2
269.05328	3.0
277.05823	4.3
281.05463	2.2
289.05875	2.2
295.06976	3.0
307.07028	100.0
307.10556	8.8
308.07495	2.0
325.08069	80.3
327.58612	1.4
341.07687	3.4
367.09140	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	366.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23311	0.7
53.03939	1.5
55.01875	2.0
55.05507	3.1
56.05028	3.8
56.96577	0.8
57.03438	2.0
59.05008	0.7
60.04531	100.0
65.03951	0.7
67.05509	14.2
69.03433	5.1
69.07079	3.2
70.06596	2.2
71.05000	2.7
71.10930	1.5
72.04522	2.2
72.08164	1.2
73.02943	0.9
74.06103	2.1
79.05498	9.1
80.05035	2.0
81.03452	1.8
81.07059	16.1
82.06587	1.8
83.05001	1.1
83.08633	0.8
84.04511	1.9
84.08136	1.0
85.02925	1.8
85.06544	2.1
86.06078	0.9
86.09708	1.2
90.05556	0.9
90.69495	0.7
91.05481	7.5
93.07056	10.9
94.06589	1.3
95.04974	2.6
95.08047	1.3
95.08612	12.6
96.08115	1.0
97.06555	1.5
97.10196	1.0
98.06052	1.1
98.97631	0.8
99.08097	1.8
102.05544	1.4
105.07053	4.6
106.06570	1.5
107.08601	7.2
108.08157	1.0
109.10168	4.6
111.08103	2.0
111.16022	0.7
112.07596	0.8
116.05007	2.1
116.07085	1.1
117.07025	1.4
119.04926	2.9
119.08587	3.1
120.06638	0.9
120.08115	2.0
121.06512	0.8
121.10154	5.3
123.08113	0.9
123.11742	1.5
125.09695	0.9
131.08571	2.5
133.07628	4.3
133.10139	3.3
135.11716	3.1
136.07582	1.4
143.08612	0.7
145.07613	7.4
145.10094	1.7
145.87244	0.7
147.04411	8.3
147.08089	1.1
147.09187	1.1
147.11710	2.7
149.13246	1.4
151.11205	2.1
157.07690	1.0
159.11732	1.4
161.07143	0.9
161.13330	1.9
163.08688	6.0
169.04924	0.8
169.12296	2.2
169.54288	0.7
175.08691	2.0
177.06743	0.8
189.06639	3.6
196.06151	1.0
197.06335	0.9
201.10220	1.0
207.07671	47.1
208.07947	1.4
214.06422	1.0
217.19496	0.8
232.07283	5.2
235.20677	0.9
253.06570	0.9
263.82776	0.8
276.23315	4.4
279.13385	2.4
294.24289	5.8
305.11563	0.9
312.25403	8.2
323.12387	20.4
323.16187	1.1
324.12653	1.0
330.26392	20.1
348.11774	1.5
348.27454	37.6
366.08734	3.4
366.12952	33.2
366.28525	84.5
367.13077	1.6
367.29031	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	366.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62695	2.1
55.04784	2.1
55.05518	17.3
56.05024	6.8
58.06590	4.0
60.04301	1.7
60.04531	17.7
67.05509	24.6
68.05025	5.0
69.07081	20.5
69.24020	19.5
70.06595	5.4
73.93041	1.8
79.05493	24.6
80.05032	26.8
81.05798	2.7
81.07063	28.7
82.06573	3.2
82.27662	1.9
83.04969	2.4
83.08623	7.2
85.06506	2.5
91.05479	21.7
93.07055	24.8
94.06563	11.5
95.04958	6.6
95.07348	3.0
95.08622	16.8
95.38673	2.6
96.08151	4.5
97.06516	3.1
97.10192	10.0
98.09710	8.6
105.07037	22.3
106.06547	3.2
106.61668	2.0
107.04925	2.6
107.08606	27.7
108.08129	7.2
109.06533	2.2
109.10175	10.2
117.07043	5.1
119.08594	20.9
120.08160	3.2
121.06540	2.1
121.10166	16.4
123.08046	2.4
123.11702	2.8
125.09657	8.5
131.08563	8.3
133.10141	18.9
135.08096	4.5
135.11707	7.0
136.11234	5.1
140.10687	3.5
145.10152	8.8
147.11685	11.4
149.09613	3.1
151.89613	2.4
153.09149	4.0
154.12291	3.9
157.10136	3.0
159.11703	4.8
161.13266	2.2
163.11206	2.1
166.64407	2.6
169.10185	2.1
171.11650	2.8
173.13315	5.3
177.12790	4.8
180.13908	3.9
183.11859	1.9
192.13788	4.3
203.12813	6.0
204.13846	10.6
206.15390	5.1
215.17976	2.8
226.18089	2.8
234.03560	2.1
236.16469	16.4
238.18054	7.1
250.18005	2.7
257.18964	11.2
274.21729	8.7
275.20105	16.0
289.21658	27.2
306.24295	66.8
307.22473	5.1
316.22748	3.1
334.23611	5.0
348.25467	14.3
351.66287	2.4
366.26462	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	4.2
56.83751	1.1
57.03431	2.8
60.04523	3.8
61.02922	1.7
67.05501	16.8
69.03436	3.8
69.07067	4.2
70.06622	1.1
71.04996	23.3
73.02888	1.2
79.05499	5.0
81.07053	15.2
83.04996	3.5
85.02914	8.0
85.06548	33.6
87.04465	1.4
91.05483	16.3
91.95020	1.1
93.07043	9.9
95.05078	1.2
95.08626	4.0
97.02920	1.2
98.21522	2.5
105.07024	15.1
107.08601	19.0
109.06516	2.8
109.09464	2.5
109.10166	31.1
111.08095	2.1
121.06531	2.2
121.10162	1.7
123.11723	4.6
125.09623	2.6
133.10135	58.9
135.11676	1.3
144.13837	1.6
147.04396	1.7
151.11192	56.5
168.69588	1.2
169.12248	40.7
187.13304	100.0
366.28561	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	366.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69472	0.9
55.05505	3.4
56.05029	1.2
57.03423	2.1
60.04517	4.1
67.05512	13.3
69.03429	3.3
69.07086	4.4
70.06590	1.5
71.04989	3.0
71.53716	1.7
72.08149	2.7
79.05484	4.0
80.26200	0.9
81.07059	14.8
83.04968	3.2
83.08621	1.3
84.04501	1.4
84.08138	1.1
85.02911	6.3
85.06537	1.6
86.09705	7.3
90.05605	0.9
91.05486	16.8
93.07040	9.0
95.08598	3.9
97.02895	3.3
105.07024	21.2
107.08610	24.4
109.06546	2.3
109.10163	44.5
120.08112	2.5
122.02761	1.1
123.11707	7.8
124.07686	1.0
127.03924	1.6
131.08549	1.5
133.10138	96.0
137.06026	0.9
138.47563	0.9
139.84572	0.9
145.04926	1.5
147.04407	3.3
151.11192	100.0
152.11507	1.2
165.06927	1.2
166.08723	1.9
169.12251	49.9
187.13303	39.7
224.06485	0.9
228.08820	1.0
246.09703	2.1
253.11850	2.0
264.10876	1.3
288.10745	2.0
306.11737	4.7
324.12579	1.3
334.11023	1.2
348.27338	1.6
366.13669	8.1
366.28333	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	366.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
55.05507	3.0
56.34148	1.5
56.96570	1.2
60.04525	4.6
66.64898	1.1
67.05508	15.6
69.03423	1.8
69.06759	1.0
69.07066	5.9
69.75623	6.4
69.95986	1.1
71.05000	18.6
72.08134	1.1
79.05495	4.3
81.07059	15.7
82.87269	1.1
83.04984	3.6
84.63174	1.2
85.02910	6.6
85.06546	29.9
87.17715	1.1
91.05489	14.2
93.07062	11.2
95.08609	2.7
97.02890	2.4
99.04475	1.6
105.07030	13.4
107.08604	19.3
109.06522	1.9
109.10164	32.3
111.08101	5.7
114.67085	1.0
117.97371	1.2
121.06535	3.9
121.10159	1.2
123.11697	5.5
125.09645	1.9
127.03943	2.7
127.07571	1.3
133.10144	56.2
141.12737	1.2
151.07480	1.2
151.11191	54.8
160.13356	1.2
169.12245	49.4
187.13300	100.0
293.49484	1.3
322.20068	1.9
366.28592	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.4
55.01877	5.2
55.05492	1.2
57.03441	5.8
59.50789	1.0
60.04525	3.1
60.05613	1.0
61.02932	7.6
68.13774	0.9
68.99792	2.7
69.03435	36.8
69.78298	2.9
69.78684	2.5
70.06573	1.6
71.04989	3.2
72.08182	1.5
73.02925	5.9
81.02985	1.8
81.03425	21.7
81.07054	3.0
83.01315	1.3
85.02913	100.0
87.00835	50.7
89.40463	1.1
91.03940	1.2
93.07038	1.0
97.02898	32.5
99.04465	14.5
101.02383	1.7
105.01871	99.3
107.08575	1.3
108.04482	2.2
109.02890	24.2
117.01854	2.2
121.06496	1.1
123.11731	2.9
127.03929	74.5
129.01843	3.6
129.10251	1.2
131.61116	1.1
133.10123	1.2
145.04976	40.3
147.02922	2.5
151.11195	2.6
159.02928	11.3
165.01823	2.0
169.12230	1.8
173.12865	1.3
189.03909	2.5
201.12354	1.1
213.03981	4.1
231.05045	26.6
249.06038	13.2
262.15631	1.2
263.15775	2.6
283.06030	10.7
287.98257	1.0
331.13943	1.3
334.25015	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	0.7
67.52026	0.7
68.96930	0.7
69.47475	2.6
69.47900	2.9
84.62071	0.8
98.20753	1.4
98.97578	6.1
116.98630	4.2
119.01907	2.2
127.30429	0.6
134.99687	1.1
177.00935	4.4
192.98964	0.8
198.97816	1.0
212.99341	0.8
216.98854	4.1
219.01997	12.1
222.98012	1.6
225.01016	1.1
234.99997	8.3
240.98897	8.9
243.02089	2.5
253.01054	1.4
259.00027	31.2
260.00156	1.9
261.00250	1.6
261.03091	21.1
262.02975	0.9
264.98792	4.6
273.98703	1.4
274.97595	3.1
277.01062	22.0
277.93579	1.0
278.01105	1.6
283.00003	73.1
284.00043	3.4
291.99744	1.0
292.98535	2.1
301.01080	100.0
302.01328	3.6
302.04251	0.8
304.78802	0.8
319.02112	3.7
324.02670	2.8
325.01038	14.8
343.02142	67.3
344.02444	2.3
361.03241	16.2
366.03793	2.5
385.03384	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2689
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
53.24457	0.4
55.01884	0.6
55.05528	2.7
55.20431	0.5
57.03442	0.5
57.07085	4.6
58.06624	0.4
59.36520	0.5
61.05541	0.5
62.80046	0.5
63.33292	0.5
63.79989	0.5
67.05510	4.2
69.03429	1.0
69.07077	4.0
70.80954	0.4
71.04980	0.5
71.53385	0.7
72.21681	0.4
73.53290	0.4
79.05502	3.4
81.07062	4.2
83.04996	0.7
83.08640	1.4
85.06567	2.4
90.37614	0.5
91.05487	2.9
93.07056	3.8
95.04976	3.3
95.08615	4.8
97.06528	1.2
105.07044	3.6
107.08604	3.7
109.06529	2.2
109.10191	2.2
111.04452	0.6
111.08137	0.7
117.07079	0.8
119.08593	3.9
121.06499	0.8
121.10171	1.8
123.08083	3.5
124.08858	0.8
125.09696	0.9
129.06995	1.0
131.08600	2.1
133.10191	1.5
135.08049	2.5
135.11757	1.6
136.52309	0.5
137.06013	1.1
137.09673	1.0
142.07820	0.7
143.08586	2.5
144.09309	0.6
145.10143	2.3
145.78857	0.4
147.08162	0.8
147.11711	0.8
149.09647	0.6
149.13309	0.7
151.07570	3.4
151.11185	0.8
151.82919	0.4
152.08340	6.9
155.08606	0.6
156.09476	1.0
157.10138	3.3
159.11748	2.0
161.09644	1.1
161.13289	0.6
163.11096	0.5
165.09132	8.0
165.12762	1.0
166.09834	0.7
167.08643	0.9
169.10185	1.5
170.10898	0.6
171.11746	1.7
173.09737	0.5
173.13216	0.8
175.11185	0.8
177.12787	0.5
179.10742	1.9
179.14290	0.5
181.10219	0.7
183.11740	1.3
185.13239	2.5
187.11285	0.9
187.14807	0.6
193.10211	0.8
194.11414	0.5
194.13063	3.1
195.11771	2.4
195.13596	0.5
196.12508	0.8
197.09792	0.5
197.13301	1.5
203.14262	0.5
205.15840	1.0
207.11830	1.3
207.13940	1.7
208.12662	0.6
209.13365	1.3
211.14934	0.6
213.12811	0.6
220.12628	0.5
221.13341	0.8
223.14903	1.2
233.13266	0.8
233.80460	0.5
234.14200	0.7
235.16969	0.5
246.13785	0.5
249.18556	0.9
263.20129	2.8
273.18567	0.6
291.19666	3.1
319.26437	1.9
347.26022	17.8
365.26996	100.0
366.27298	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	365.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02706	1.1
53.82838	1.0
54.73998	1.1
55.05518	7.2
57.03434	1.5
57.07072	9.6
65.29128	1.0
67.05508	12.8
69.03414	1.8
69.07072	7.7
71.05006	1.3
75.28195	1.2
79.05495	8.0
81.07069	11.5
83.04990	3.0
83.08637	3.0
85.06570	5.8
91.04963	1.6
91.05480	11.6
93.07049	12.9
95.04972	17.7
95.08617	12.5
97.06512	4.3
105.06407	1.3
105.07040	14.8
105.36033	1.1
107.08606	14.4
109.06509	5.9
109.10157	7.1
111.04406	1.4
111.08100	1.5
112.61824	1.1
115.05456	1.8
117.07000	5.4
119.08591	16.6
121.06516	2.3
121.10162	6.9
123.08070	5.6
124.08877	1.5
128.06218	2.7
129.06996	4.6
130.07755	1.6
131.08592	7.7
133.10118	9.2
135.08041	7.2
135.11684	3.7
137.05952	1.7
142.07802	3.9
143.08563	9.3
144.09332	3.1
145.09187	1.3
145.10146	11.7
147.08086	2.7
147.11691	4.3
149.09624	2.1
151.07585	3.2
151.11195	2.2
152.08319	4.2
154.07744	1.4
155.08557	4.3
156.09317	3.9
157.10120	15.4
158.10941	1.1
159.08084	1.7
159.11711	10.9
161.09596	5.3
161.13286	3.8
163.11179	1.3
165.07028	2.7
165.09123	8.8
167.08569	2.9
168.09241	1.8
169.10138	5.9
170.10890	3.1
171.08133	1.2
171.11711	8.6
172.12428	1.9
173.09625	3.5
173.13261	3.4
175.11189	1.3
175.14891	1.2
179.08522	3.3
179.10718	1.2
180.09279	1.9
181.10107	5.5
182.10872	3.1
183.11671	7.1
184.12442	1.7
185.09645	1.4
185.13280	8.3
187.11177	4.4
187.14832	4.8
192.30174	1.2
193.10110	4.7
194.10933	3.2
194.13072	3.4
195.11681	8.6
196.12480	2.5
197.13271	5.9
199.14861	2.4
201.12624	1.2
205.15828	1.7
206.10934	1.7
207.11711	7.3
207.13673	2.2
208.12543	3.1
208.14540	1.0
209.11569	1.4
209.13239	7.3
210.13969	1.2
211.11194	1.6
211.14709	2.8
213.12733	4.6
213.16441	1.3
219.11757	2.5
221.13374	5.0
221.15230	1.4
222.14101	2.0
223.14967	5.3
224.15599	1.4
225.12799	2.0
225.16382	1.6
227.14322	1.9
231.11723	1.1
233.13187	2.8
235.14856	2.1
236.15628	2.0
237.12897	1.2
237.16379	4.4
238.17198	1.4
239.14140	1.8
242.20842	1.1
247.14842	3.5
249.16446	3.9
251.17992	3.7
255.17337	1.4
263.17862	3.8
263.20175	4.4
265.16016	2.4
265.19626	2.9
267.17517	1.2
273.18723	1.2
274.17264	1.4
275.17963	1.8
281.18921	2.3
282.19888	1.2
283.20468	1.1
291.19968	5.1
305.24637	2.7
309.18533	2.4
319.26389	2.6
329.22513	1.8
347.25671	22.6
365.27341	100.0
366.27234	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	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08046	1.9
53.03955	5.3
55.01883	15.8
55.05519	27.3
57.03189	2.9
57.03440	37.2
57.07051	3.9
62.21672	2.4
64.97681	2.0
65.03932	4.4
67.05511	85.4
69.03422	6.9
69.06784	2.1
69.07074	22.6
70.92138	4.1
71.04985	8.2
73.02923	3.2
78.60999	1.9
79.05074	3.8
79.05496	56.8
81.03429	15.3
81.06591	3.7
81.07063	72.9
83.04982	18.2
83.08643	12.5
85.02895	5.0
85.06176	1.7
85.06566	18.2
90.19057	2.0
91.03971	1.9
91.05490	70.1
93.07051	61.3
95.04975	34.3
95.08068	2.6
95.08620	31.7
97.02899	4.3
97.06528	6.4
97.10166	2.3
98.97583	2.5
105.07044	58.8
107.04958	19.0
107.08592	41.7
109.06525	27.7
109.10162	41.9
109.86369	2.4
111.04457	4.3
111.08083	8.6
113.06019	34.7
115.05483	4.7
117.07039	13.8
119.08577	21.1
121.06511	10.0
121.10143	15.0
123.04462	2.0
123.08065	8.3
123.11726	9.2
125.09648	2.1
128.06178	4.5
129.07021	10.0
131.08597	22.6
133.03514	2.0
133.06500	13.1
133.09128	3.5
133.10136	65.1
135.08063	23.4
135.11687	9.7
137.09612	3.0
139.07552	3.5
141.06996	2.7
143.08559	9.5
145.10141	14.6
147.08073	7.4
147.11656	6.2
149.09636	15.6
151.11192	40.9
157.10147	6.1
159.08105	5.6
159.11688	5.2
161.09627	14.4
161.13257	2.6
163.11201	6.0
169.12268	7.2
171.11739	6.0
175.11195	6.0
177.09148	5.2
177.43184	2.4
179.10713	3.1
189.12764	5.5
205.08382	4.4
215.12755	4.3
217.15942	7.4
245.18954	11.3
251.12869	3.1
253.11751	2.7
253.14372	45.2
255.17445	5.6
263.20074	6.2
267.09018	3.4
269.10870	2.5
269.13831	2.8
273.18515	45.3
284.13052	6.3
285.10101	5.3
291.19574	47.3
309.20627	2.5
347.22104	8.0
365.23196	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.6
55.01883	5.9
55.05515	10.2
55.88071	1.0
57.03443	48.3
57.07066	2.9
63.30696	1.4
65.03938	3.1
67.05512	47.2
69.03432	3.7
69.07080	9.2
69.60806	2.6
69.61214	5.7
71.04991	6.1
77.03902	1.1
79.05502	24.6
81.03408	2.6
81.07059	18.2
83.04997	3.3
83.08608	5.1
85.02875	1.3
85.06550	36.1
91.04972	1.9
91.05485	19.4
93.07053	21.2
95.04980	62.8
95.08604	12.6
97.02892	2.0
97.06514	3.4
97.10146	2.8
98.21486	2.1
98.97581	2.3
105.07026	14.8
107.04971	10.2
107.08609	13.7
109.06526	47.3
109.10163	4.8
111.08078	3.4
113.06017	100.0
115.05498	1.3
117.07045	7.6
119.08594	8.2
121.06512	4.2
121.10144	6.4
123.08086	4.2
129.06996	4.4
131.08595	12.4
133.06500	1.3
133.10135	9.0
135.08070	32.8
135.11703	7.3
143.08569	6.7
145.10133	7.5
147.08070	4.2
147.11710	3.0
149.09613	4.3
149.13220	2.8
157.10139	5.4
159.08032	2.7
159.11702	6.3
161.09641	7.6
163.11188	2.1
169.10095	1.3
171.11720	4.2
173.13301	3.5
175.11125	2.0
177.12820	3.1
183.11766	2.2
195.13806	1.2
197.13382	1.7
198.96741	1.4
199.14926	3.7
201.12779	2.8
217.15906	11.3
223.13345	1.8
233.15324	3.0
237.16417	2.2
245.18912	2.5
255.17516	1.7
273.18549	23.5
285.09985	2.1
291.19574	47.7
347.22098	3.9
365.23248	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	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	2.5
55.01880	6.7
55.05519	27.4
55.05757	1.8
56.61274	0.7
56.96552	1.3
57.03443	10.6
59.04973	1.2
61.02882	1.4
65.03916	1.8
67.05511	31.8
67.05838	1.3
69.03439	13.8
69.07076	43.0
69.07419	1.8
71.04955	2.8
79.05500	30.9
81.03429	6.2
81.07066	24.1
83.04995	4.4
83.08624	9.4
85.02859	2.4
85.06504	1.4
91.03924	1.2
91.05488	17.9
93.07049	21.5
95.01286	0.9
95.04981	10.4
95.08613	14.0
97.02901	14.4
97.06536	4.9
97.10176	19.1
105.06416	0.9
105.07045	13.2
107.04971	7.2
107.08603	16.6
109.02819	1.6
109.06543	4.4
109.10178	11.5
110.77417	0.6
111.04418	1.1
111.08101	3.1
115.05405	1.4
117.07044	9.7
119.04913	0.9
119.06024	0.8
119.08598	13.1
121.06516	3.7
121.10178	6.3
123.04398	0.8
123.08090	5.4
123.11678	1.2
125.09646	13.1
128.06163	1.0
129.05450	0.7
129.07010	3.6
130.07835	1.1
131.04854	0.7
131.08565	8.6
133.06471	2.4
133.10147	5.7
135.08067	7.0
135.11705	3.3
137.09602	2.7
141.06996	1.0
142.07692	1.1
143.08566	5.1
143.10667	1.0
145.09258	0.7
145.10139	7.4
147.08084	6.1
147.11670	3.5
149.09575	2.1
149.13300	3.6
151.11168	1.3
153.09088	1.8
155.08598	1.2
157.08894	0.8
157.10106	3.5
159.08069	1.4
159.11761	3.4
161.09645	3.2
161.13306	1.5
163.11150	2.9
165.09077	2.6
167.08549	0.8
169.10098	1.4
171.10214	1.6
171.11642	2.9
173.11787	1.4
173.13228	0.8
175.11150	2.8
177.12747	2.2
179.10721	0.7
181.10097	1.0
185.13200	0.9
189.11240	8.9
189.12778	1.3
193.12151	0.7
195.11726	0.8
195.13789	1.9
203.11035	0.9
205.12228	2.7
213.14738	1.0
221.15414	1.0
223.13307	30.0
227.12866	1.1
227.17923	1.8
237.16406	1.0
245.18979	2.5
249.14914	0.7
252.65858	0.7
255.17534	1.8
263.20047	1.9
273.18524	19.2
284.13608	3.3
285.09906	1.0
291.19562	100.0
292.19904	1.7
347.22162	3.4
365.23279	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.9
53.03942	7.4
54.79389	1.8
55.01674	2.1
55.01881	22.3
55.05275	2.1
55.05516	33.7
56.96567	2.4
57.03437	22.7
57.07082	2.4
58.64375	1.6
58.81524	1.7
61.02929	2.3
65.03930	3.0
67.05508	100.0
69.03440	9.8
69.07073	32.3
69.29203	15.4
71.04997	9.5
73.02930	3.2
74.33945	1.8
78.68382	1.7
79.05501	70.1
81.03431	17.2
81.07061	97.0
83.01337	2.9
83.04987	22.0
83.08627	12.6
83.71325	1.9
83.98324	1.8
85.02905	3.9
85.06548	7.2
91.05486	82.4
93.06478	3.9
93.07051	66.4
95.04980	22.1
95.08614	39.3
97.02895	6.8
97.06541	13.3
97.10162	5.7
99.04477	2.2
99.08099	2.8
103.03936	2.6
105.07034	66.6
107.04948	18.5
107.08604	55.4
109.06543	13.5
109.10165	54.1
111.04434	5.8
111.08116	10.1
113.06087	2.9
117.07038	14.9
119.08603	20.3
121.06519	15.6
121.10132	16.1
123.04432	2.1
123.08054	8.2
123.11728	11.3
125.05976	3.2
125.09649	4.4
127.07571	2.7
129.07010	7.4
131.08574	25.2
133.06535	12.8
133.10138	89.3
134.78111	2.1
135.08057	15.7
135.11691	11.5
137.09654	3.4
139.07533	4.1
143.08572	9.2
145.10127	11.6
147.08060	6.5
147.11700	9.7
149.09650	18.8
151.11192	54.2
157.10164	7.4
158.99817	1.9
159.08043	7.3
159.11688	5.9
161.09615	18.2
163.11198	5.9
165.09056	4.4
165.12799	3.2
169.12276	8.0
171.11732	7.1
173.13237	2.0
175.11211	7.5
177.09137	8.7
177.12755	4.0
179.10677	4.5
183.11641	3.5
185.13228	3.4
187.11215	2.8
189.12762	5.5
193.12152	2.2
195.11884	2.6
195.13652	2.3
197.11659	2.2
199.11246	2.6
207.13863	1.9
215.12822	7.3
217.12386	3.2
223.13263	3.9
245.19061	11.5
251.12801	4.0
253.14374	60.1
255.17442	4.4
263.20087	11.2
267.09030	4.1
269.10648	6.6
269.13828	5.2
273.15527	3.0
273.18509	50.6
285.10208	3.6
291.19574	44.5
309.20633	2.8
340.15335	2.6
347.22183	7.8
365.23282	92.7
365.33572	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84712	1.5
53.03937	4.1
55.01875	8.7
55.05514	10.3
56.65561	1.4
56.96553	3.5
57.03442	43.2
57.07074	3.3
61.02928	3.1
62.14413	1.5
65.03940	3.3
67.05509	43.3
67.57384	1.4
69.03418	5.4
69.07082	7.6
70.13843	4.5
71.04982	7.0
72.93773	2.0
73.02921	2.4
75.48981	1.6
75.59965	1.5
79.05495	28.2
81.03423	12.8
81.07063	29.8
83.04978	6.8
83.08609	6.0
85.02885	5.8
85.06547	38.3
91.03920	2.4
91.04963	2.8
91.05486	28.1
93.07047	25.1
95.04978	56.7
95.08614	14.8
97.02885	3.8
97.06526	7.0
97.10175	1.8
99.04433	2.3
103.05474	1.9
105.07030	23.0
107.04970	11.0
107.08601	17.4
109.02872	1.9
109.06519	48.6
109.10159	6.9
111.08118	3.5
113.06014	100.0
113.86922	1.3
115.05483	3.2
117.07030	8.9
119.08588	13.0
121.06503	5.6
121.10161	7.8
123.08067	8.0
123.11697	1.8
125.09541	1.7
128.06183	2.4
129.07033	8.7
131.08560	14.9
133.06433	2.0
133.10139	8.4
133.10988	1.5
135.08061	38.0
135.11700	9.3
137.09599	2.9
143.08546	7.0
145.10112	11.4
147.08057	6.4
147.11652	5.1
149.09654	10.1
149.13237	3.9
151.11200	2.1
157.10135	7.3
159.08066	2.6
159.11658	6.4
161.09644	9.3
161.13257	2.6
163.11192	4.0
171.11668	4.3
173.13275	3.8
175.11194	6.1
177.12747	4.9
183.11823	2.4
185.13341	2.4
187.11191	1.7
193.12238	6.6
199.11279	1.9
199.14774	4.2
201.12730	2.8
211.13258	5.1
217.15874	14.5
223.08955	1.6
227.17992	3.6
233.15436	3.5
245.18997	4.8
255.17488	3.7
265.05209	4.6
267.09222	3.2
269.12296	3.2
273.18530	32.5
283.06226	15.2
284.06433	1.8
285.10196	3.0
285.16885	2.5
291.04565	1.7
291.19556	43.1
301.07269	5.5
347.22122	2.7
365.19171	7.3
365.23273	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18936	1.2
53.03936	2.6
55.01867	6.9
55.05516	27.8
56.96559	2.2
57.03441	9.9
59.04996	1.8
61.02906	1.1
67.05508	33.5
69.03432	14.5
69.07073	41.4
70.63799	2.6
70.64120	1.4
71.04987	2.6
73.02914	1.1
79.05496	24.2
81.03428	7.0
81.07063	25.0
82.07457	1.1
83.04971	4.8
83.08630	9.2
85.02903	2.1
85.06589	1.1
91.05482	15.3
93.07046	16.9
95.04986	8.2
95.08611	13.3
97.02905	15.6
97.06519	3.8
97.10176	17.2
98.97579	3.6
105.07031	13.9
107.04958	6.3
107.08601	15.2
109.02745	1.1
109.06525	2.9
109.10181	9.9
111.08079	3.2
117.07008	6.5
119.05022	1.3
119.08591	12.0
121.06484	3.2
121.10139	5.4
123.08073	5.5
125.09628	13.1
129.07008	2.3
131.00188	1.8
131.08586	7.0
133.06494	2.5
133.10130	6.5
135.08084	5.9
135.11685	3.0
137.09624	3.4
143.08551	2.8
145.10149	6.7
147.08041	5.9
147.11723	2.5
149.01218	1.7
149.09608	2.0
149.13303	3.2
150.17024	1.1
151.11159	1.4
157.10106	2.9
159.11667	4.5
161.09616	3.9
161.13277	1.4
163.11235	2.8
171.10191	1.6
171.11607	1.4
172.02512	1.1
177.12766	1.3
189.11246	6.2
189.12727	1.6
195.13824	1.8
205.12271	2.8
223.13295	29.0
227.12857	2.5
245.19031	1.8
255.17572	1.9
263.19913	1.7
267.09155	3.3
273.18488	16.5
284.12662	7.3
284.63220	1.4
285.10144	5.3
289.13556	1.2
291.19556	100.0
347.22351	1.3
365.15411	6.2
365.23233	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27032	2.5
53.03936	8.1
55.01859	11.3
55.05514	49.0
57.03440	17.2
59.00297	2.5
59.04996	3.1
61.02913	4.2
65.03922	4.2
67.05508	63.9
68.98437	2.6
69.03423	9.3
69.07071	36.4
69.25484	5.7
69.25905	19.8
71.04975	9.1
79.05501	68.6
81.03408	8.8
81.07059	71.7
83.04961	9.4
83.08628	16.7
85.02907	6.4
85.06535	5.8
91.05486	90.2
93.07047	68.3
95.04968	15.6
95.08609	46.2
97.02888	6.8
97.06516	7.4
97.10142	11.5
103.05451	4.1
105.07037	75.5
107.04961	13.2
107.08601	40.8
109.06510	12.7
109.10194	14.6
111.08092	3.4
115.05457	6.8
115.94337	2.9
116.06289	5.9
117.07024	39.1
119.04931	4.6
119.08590	50.4
121.06495	13.3
121.10136	15.6
123.04395	3.5
123.08062	12.9
125.09655	7.0
128.06207	19.5
128.65657	3.0
129.07019	30.9
130.07787	10.6
131.08577	88.9
133.06494	9.3
133.10146	33.3
135.08064	9.7
135.11673	9.8
137.09595	4.7
139.11153	6.3
141.06985	12.8
142.07764	5.8
143.08565	100.0
145.06482	5.4
145.10136	90.0
147.08043	15.3
147.11642	13.2
149.09630	6.1
149.13324	5.0
151.07611	3.5
151.11180	5.0
153.01848	3.7
155.08560	6.8
157.10155	25.0
159.08020	8.7
159.11707	22.2
159.59575	3.2
161.09663	16.5
161.13237	3.7
163.11156	8.6
165.07007	3.4
166.07784	3.2
169.10118	18.3
171.11684	25.7
173.13275	6.0
175.11162	13.2
181.10091	10.5
183.11684	8.9
185.13271	8.4
191.79930	3.0
195.11737	25.9
203.12769	4.8
209.13261	4.8
213.12718	5.7
227.17960	9.3
237.16385	16.7
242.05745	16.7
245.19057	9.2
255.17485	21.6
267.09091	6.4
269.12466	5.8
270.05212	12.0
272.20538	2.9
273.18466	67.5
285.07550	89.5
285.10547	6.3
286.07654	3.6
291.19489	17.5
347.22180	38.8
365.03552	14.1
365.19217	19.4
365.23248	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	365.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.8
56.05042	6.2
58.06615	2.6
60.05371	0.6
60.05656	11.8
67.05468	0.6
68.05031	0.6
69.00923	1.0
70.06596	24.5
71.53708	0.7
72.80223	0.5
74.06087	2.7
75.20464	0.4
81.07040	0.6
85.02890	0.8
86.03561	8.2
86.96507	0.5
91.05479	1.0
93.07003	1.0
102.67596	0.5
105.07045	0.9
107.08606	0.8
109.10190	0.7
112.07592	0.5
113.07159	1.4
121.06512	0.5
121.10143	0.6
129.10245	28.6
130.06535	2.4
131.07315	3.9
133.10092	0.9
136.06216	2.5
146.09584	0.6
154.09743	0.9
155.08160	13.8
158.06017	4.6
162.05519	0.8
164.07098	8.3
176.07086	0.7
184.09647	0.6
189.10396	0.6
190.08627	15.0
210.01192	0.5
214.12991	2.3
221.12875	2.0
230.12906	1.3
231.11261	2.4
232.10809	3.6
248.14008	1.0
249.12297	0.7
262.15518	100.0
263.13742	4.7
263.16324	0.8
280.16577	32.9
306.14426	2.5
318.04303	0.6
365.20193	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.01864	9.5
55.05273	2.8
55.05516	29.0
56.96553	8.9
57.03442	14.6
57.07078	2.6
59.05008	2.5
59.54882	1.6
61.02912	6.3
65.88169	2.0
67.05176	2.9
67.05510	39.4
69.03435	14.7
69.07072	71.4
70.06598	2.9
71.04980	3.3
71.53970	2.7
73.02896	4.9
79.05506	32.7
81.03436	11.0
81.07069	32.9
83.04977	8.2
83.08596	9.0
85.02888	9.2
85.06523	2.6
91.03964	3.6
91.05486	23.8
93.07051	25.2
95.04983	16.4
95.08107	1.8
95.08617	16.9
97.02899	16.8
97.06528	6.8
97.10181	15.6
101.02374	2.3
105.07047	16.5
107.04974	10.4
107.08617	18.6
108.15711	2.2
109.02902	2.7
109.06505	8.0
109.10161	16.3
111.04419	2.6
111.08088	4.4
117.07019	9.1
119.08588	16.9
121.06471	5.7
121.10130	8.4
123.08055	5.6
125.09618	9.6
127.07576	2.4
129.07008	5.1
131.08580	8.3
133.06473	6.2
133.10155	11.7
135.08046	11.4
135.11728	4.0
137.09604	9.7
143.08519	6.3
145.10123	8.9
147.04417	4.0
147.08037	8.3
147.11668	7.5
148.04778	3.1
149.09613	6.9
149.13260	4.8
151.11195	2.4
157.10170	5.0
159.07983	2.2
159.11668	3.6
161.09621	4.9
161.13304	2.5
163.11172	5.2
165.09019	2.5
171.11679	4.2
173.11736	2.9
173.13190	2.1
175.11200	6.2
181.12216	3.2
189.11215	8.4
189.12717	2.6
191.06949	2.5
192.07465	2.4
193.12212	3.1
195.13814	3.9
203.05914	3.5
203.10696	2.6
203.17838	2.4
205.12260	3.2
217.15883	2.5
223.06331	2.5
223.13300	14.3
229.07564	2.8
229.14279	4.4
242.05779	11.2
243.08904	4.6
255.08951	2.8
255.17540	4.1
263.20111	2.7
267.08975	12.5
270.05215	7.1
273.18530	41.2
274.38965	2.2
284.13425	3.3
285.07523	42.6
285.10187	20.2
291.19559	100.0
333.13196	2.6
347.18045	2.7
347.22095	6.4
365.03259	8.1
365.19144	15.8
365.23300	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39200	0.4
56.43265	0.4
70.38839	0.4
71.10205	0.7
84.88100	0.4
85.89103	0.4
101.00921	0.4
110.98260	0.4
131.01958	0.5
143.01930	0.9
145.03485	0.5
173.02957	0.8
185.04248	18.6
203.05286	39.7
209.42766	0.4
245.05103	2.1
248.08241	0.3
275.06314	0.4
290.35675	0.4
305.32126	0.4
313.17670	0.4
335.63245	0.4
365.10590	100.0
366.10965	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66807	0.4
51.11753	0.5
51.56639	0.4
55.01858	0.6
55.05513	0.9
56.09482	0.4
59.61292	0.4
60.04520	0.5
67.05501	1.2
69.03441	1.0
69.07050	0.9
69.79288	2.2
70.90171	0.4
71.04976	0.6
79.05486	1.0
81.03384	0.5
81.07047	1.4
85.02905	1.6
89.95712	0.4
91.05471	1.4
93.07039	1.6
95.04967	0.8
95.08616	1.0
97.02904	0.6
99.04491	0.5
100.10685	0.4
103.55582	0.4
105.07030	1.2
107.08620	1.4
109.02905	0.6
115.50204	0.4
119.08597	1.2
121.06491	0.5
121.10085	0.5
122.06005	0.7
127.03910	1.2
131.08586	0.7
133.10133	0.8
133.18970	0.4
136.06207	1.1
137.05859	0.7
138.09119	0.5
140.07156	0.5
145.04997	0.7
145.10172	0.5
147.04524	0.4
147.09166	0.5
148.07605	0.7
149.02264	0.6
152.77544	0.5
157.09985	0.5
163.11171	1.0
166.04996	0.8
172.07509	0.7
175.08702	1.3
176.07085	1.2
185.09381	1.3
185.15395	0.8
187.10986	1.1
189.10231	0.8
190.08710	0.8
199.08699	1.6
200.07144	0.9
202.08780	0.5
203.05290	2.2
203.08183	2.5
203.10332	3.2
213.10193	0.6
217.09837	2.0
218.08054	0.5
227.08290	2.4
235.10809	0.6
241.09650	0.8
242.08197	0.6
243.13860	0.6
245.09267	8.7
246.07492	0.5
259.10803	2.4
263.10281	5.0
267.10043	0.4
269.09076	0.9
273.08661	0.7
287.10367	4.1
288.90265	0.5
291.09750	1.4
303.19724	0.6
305.11353	13.0
315.09772	0.5
323.12305	3.7
333.10938	3.1
365.15982	100.0
366.16135	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46625	3.3
52.66500	4.1
52.92722	3.5
55.01859	4.8
55.19828	3.9
56.05029	4.7
57.97331	3.2
60.04527	100.0
61.04863	9.1
64.62177	3.9
67.05501	15.7
69.07072	6.3
70.06581	3.6
71.04989	10.6
71.18015	7.9
72.08151	3.7
73.02942	4.7
79.05492	14.5
81.07050	14.8
84.04492	3.9
84.08128	4.5
90.05521	3.4
91.05473	14.8
93.07028	11.2
95.04941	4.6
95.08600	10.0
98.97595	4.5
105.07021	8.6
107.04964	7.1
107.08620	6.5
113.09589	5.0
119.08572	6.2
122.02444	3.8
133.10144	4.6
139.03925	4.9
142.08626	4.3
196.06160	5.5
202.10762	4.8
203.11122	13.3
219.01816	4.9
233.84268	4.0
234.11314	4.8
237.02892	5.3
328.25024	6.9
329.25125	8.2
333.15826	4.7
333.53922	3.7
346.26016	26.2
347.26288	40.7
364.27005	20.4
365.09845	79.1
365.27206	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	364.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54344	0.2
50.81968	0.3
55.05502	0.8
62.40130	0.3
67.05499	1.0
69.03448	0.3
72.94297	0.3
79.05476	0.8
81.03416	3.8
81.07041	1.1
83.05002	0.4
83.08619	1.1
85.02946	0.3
86.09673	0.3
89.92711	0.3
93.07058	0.7
94.04055	0.6
95.04961	1.3
95.08607	0.5
105.07027	1.2
107.04935	0.4
107.08594	1.1
111.08088	0.5
119.03551	1.8
119.08595	0.6
121.10149	0.7
129.06978	0.4
131.08580	0.4
136.06190	100.0
137.04608	0.7
147.11688	0.4
149.09694	0.4
152.05647	1.8
153.12685	0.3
157.10127	0.6
167.10674	0.5
168.07478	0.3
174.07758	1.3
175.11200	0.8
193.12224	1.8
211.13284	2.6
266.61908	0.3
310.16492	0.6
328.17758	0.6
346.18701	3.0
364.19788	42.1
365.20026	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24374	1.1
53.03939	2.0
54.23747	1.0
55.01872	2.7
55.05502	2.9
56.05029	3.8
57.07058	1.3
60.04527	95.3
65.03931	2.2
67.05505	41.0
68.05038	1.0
69.03367	1.2
69.07077	3.4
69.93837	4.1
69.94246	2.0
70.06588	4.0
70.43023	1.2
70.63081	1.3
71.04976	4.5
72.04517	6.8
72.08153	1.1
73.02901	1.7
74.06077	2.9
75.86700	1.0
79.05495	32.9
80.05008	2.2
81.03401	2.8
81.07063	14.4
82.06582	2.3
83.04975	4.9
83.08648	1.4
84.04509	1.4
85.02902	3.4
85.06546	3.5
87.78002	1.3
90.05553	3.2
91.05479	16.1
93.07047	30.4
94.06566	2.0
95.04977	3.6
95.08620	9.6
96.08146	1.5
97.02901	1.1
97.06510	2.3
98.02421	1.9
98.06020	1.3
98.21542	1.4
99.04452	3.0
99.08041	1.8
102.05544	1.5
105.07034	14.0
106.06536	1.3
107.08595	70.3
108.08146	1.2
109.06512	1.9
109.10135	2.7
111.08057	1.7
113.05983	1.4
115.10603	1.3
116.03484	1.5
116.07088	1.8
117.07023	2.3
119.08611	6.7
120.08051	1.6
121.06502	2.8
121.10147	37.2
124.07590	3.1
125.09612	2.1
129.07005	2.1
131.08575	33.5
133.10133	4.4
134.53668	1.1
135.11696	2.2
142.08656	3.3
145.10126	1.9
147.04428	2.5
147.11623	1.7
149.09624	63.3
159.11678	1.6
167.10681	100.0
173.13246	1.4
175.14748	1.2
184.09703	3.1
185.11749	4.2
196.06055	1.9
202.10753	31.9
210.14760	1.0
214.25800	1.4
274.21637	1.3
292.22754	3.9
310.23724	5.0
328.24796	14.2
346.25891	95.5
348.45511	1.1
364.26889	23.1
365.08319	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	364.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
58.49676	0.4
61.02906	0.7
69.03428	1.0
69.58619	2.4
70.06586	0.6
71.04961	0.6
72.08128	0.6
73.02922	0.6
78.04696	1.0
79.05502	0.8
81.03416	0.8
85.02918	3.5
91.03378	0.4
91.03930	0.5
91.05485	0.7
97.02882	1.5
98.20839	0.6
98.97562	0.8
103.03963	0.5
105.07051	1.2
106.04168	1.5
116.07104	0.5
119.04923	1.0
122.09641	0.5
123.04452	4.5
124.05208	1.5
127.03949	0.6
134.03603	0.5
136.79663	0.5
137.05943	0.5
140.04677	0.7
145.04950	1.1
147.04404	2.8
148.76137	0.4
151.03908	0.9
152.04677	1.3
155.07048	1.2
167.07048	100.0
168.07426	0.9
170.05606	0.8
180.08656	0.6
185.08112	1.2
206.89339	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.4
55.01868	0.8
55.05518	4.5
57.03409	0.5
57.07066	1.7
59.05003	0.7
67.05514	5.1
69.07075	7.4
70.16818	0.4
71.05000	1.0
71.08626	0.8
74.14234	0.4
79.05498	2.9
81.07061	9.9
83.04977	0.9
83.08630	3.8
85.06516	1.2
86.39567	0.4
91.05477	2.0
93.06553	0.5
93.07056	4.6
95.04955	0.5
95.08062	0.6
95.08619	9.3
97.06527	1.4
97.10177	1.1
99.08075	0.8
105.07027	2.6
107.08608	4.7
109.06530	7.8
109.10160	3.6
111.08098	2.0
119.08586	3.9
120.85831	0.4
121.06509	0.4
121.10136	3.2
123.08076	52.1
123.11701	1.8
125.09639	0.6
131.08572	0.8
133.10176	2.2
135.08069	3.8
135.11696	1.4
137.09630	3.7
137.10609	0.6
137.13290	0.6
145.10130	1.2
147.11696	1.4
149.09631	1.3
149.13304	1.9
151.11183	0.7
159.11685	1.2
160.54840	0.4
161.13255	1.1
163.11267	0.6
165.12779	1.0
167.14278	0.7
170.01877	0.4
177.12766	0.6
179.14322	16.4
193.15883	0.4
233.18964	0.7
263.19977	0.6
275.20120	1.4
289.21646	0.7
289.25177	0.6
303.26865	0.7
307.22693	6.6
321.24484	0.6
331.26303	3.4
363.28949	100.0
364.29257	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	363.2893
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
50.13898	0.4
53.03932	0.4
55.05518	3.1
57.06826	0.4
57.07080	5.4
61.82443	0.4
67.05507	4.2
68.53889	0.3
69.07070	3.5
71.04996	0.5
71.08634	4.2
73.06536	0.4
79.05501	2.2
81.07063	9.1
83.04999	0.4
83.08609	1.5
85.06542	2.6
89.06037	1.3
91.05481	1.9
93.07050	2.9
95.04942	0.4
95.08612	7.4
97.06534	0.9
97.10155	0.8
99.08107	2.6
105.07056	2.9
107.08598	3.3
109.06526	17.1
109.10184	2.9
111.08067	0.7
117.07008	0.4
119.08572	2.9
121.10152	2.0
122.07278	1.7
123.08079	27.2
123.11696	1.1
131.08562	1.0
133.10130	1.3
135.08060	3.1
135.11670	0.9
137.09576	1.0
137.13234	0.7
145.10117	1.1
147.11676	1.5
149.09630	0.6
149.13307	0.5
151.11230	0.4
159.11739	0.9
161.13243	0.7
165.12801	1.2
167.14342	1.5
175.14879	0.6
177.16379	0.4
179.14319	94.9
180.14688	0.6
187.14842	0.4
193.15897	2.8
195.12280	0.5
228.39851	0.3
280.02304	0.3
289.25067	0.8
307.22769	0.7
331.26270	4.0
345.27921	0.6
363.28937	100.0
364.29221	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	363.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30738	3.5
53.03931	4.6
55.05517	31.6
57.03441	7.9
57.07072	6.8
67.05511	33.1
69.03429	7.5
69.07069	49.7
69.46388	16.1
69.46815	10.8
70.06585	7.2
71.04993	4.9
71.08607	4.3
79.05503	19.8
81.03409	9.7
81.07059	61.9
83.04959	5.3
83.08626	30.0
85.06548	8.4
87.04465	12.6
91.05483	17.6
93.07046	29.0
95.04951	5.6
95.08619	59.7
97.06532	6.7
97.10162	20.4
105.07030	15.2
107.08555	19.7
109.06520	4.9
109.10161	22.9
111.08054	5.5
111.11719	7.2
113.00011	4.9
114.73822	3.5
117.07014	4.2
119.08581	18.1
121.06506	7.2
121.10136	16.7
123.04444	5.6
123.08025	6.9
123.11716	11.5
130.06573	4.3
131.08556	7.0
133.10143	16.9
135.11707	18.4
136.06190	9.9
137.13240	8.5
143.08583	4.7
144.33736	3.6
145.10164	4.5
147.06517	3.9
147.11716	11.7
149.13287	8.1
151.07570	4.3
161.13280	8.7
162.12781	10.6
163.13089	11.7
167.07057	55.8
183.59929	3.6
187.14792	3.9
187.90285	3.4
194.95154	3.3
217.19487	16.2
233.09203	5.9
235.20561	13.6
248.16489	12.7
249.16840	26.2
253.21603	9.9
256.44122	4.1
264.19653	4.2
265.19955	8.2
265.44742	3.6
272.10321	13.7
276.50519	3.9
291.26855	4.6
304.12692	4.4
309.24365	6.1
309.27606	4.2
313.10846	3.6
327.25308	100.0
345.26477	11.4
363.17697	8.4
363.22046	13.4
363.27145	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	363.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	38.8
56.05044	2.6
57.03450	10.9
57.07066	9.2
60.49592	1.9
61.94823	2.1
62.53666	1.6
62.84522	2.0
67.05515	31.6
68.97361	2.1
69.03428	4.2
69.07075	45.9
69.87579	8.9
70.06567	3.7
71.05002	4.7
77.56979	2.3
79.05506	16.8
81.07063	46.1
81.23563	1.9
83.04996	6.1
83.08630	30.5
85.02913	2.6
85.06543	4.4
86.09739	3.1
87.04494	5.3
89.22466	1.8
91.05498	21.9
93.07051	24.2
95.04961	3.5
95.08615	46.3
97.06532	8.7
97.10186	29.8
98.21468	2.8
99.08109	3.9
105.04526	2.1
105.07035	18.3
107.08601	15.3
109.06531	4.9
109.10169	19.6
111.08103	4.2
111.11719	8.6
117.07059	4.1
119.08590	11.0
121.10133	16.6
123.08042	4.9
123.11695	7.7
125.09687	3.2
125.13284	2.7
127.03909	2.2
130.08676	5.4
131.08592	4.6
133.06506	4.4
133.10098	16.0
135.11728	10.2
136.06187	4.3
137.06027	3.1
137.09622	4.9
137.13264	6.1
139.11200	3.2
145.10103	4.4
147.11703	9.3
149.13290	5.8
151.11189	4.8
151.14799	2.7
156.10220	12.3
159.11743	1.9
161.09618	6.6
161.13260	5.4
162.09174	17.2
165.12740	3.4
167.07057	23.1
179.14374	3.0
189.09114	4.9
190.12346	8.8
217.19482	16.6
218.11771	7.9
220.13321	5.7
233.13051	2.9
235.20616	20.1
246.12537	2.9
246.14911	25.4
248.16412	10.5
253.21619	8.9
272.10394	14.1
304.12939	7.3
309.24265	6.3
318.11081	2.5
327.25327	100.0
328.25607	2.6
345.26343	8.3
346.15005	2.8
363.12579	3.4
363.17905	6.3
363.22760	46.6
363.27124	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	363.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	3.2
55.05519	35.6
57.03445	5.7
57.07066	7.3
65.01197	2.4
66.24315	2.7
67.05509	32.0
69.03415	6.6
69.07069	36.9
70.06587	3.3
70.91718	2.5
71.04986	3.6
71.21201	2.4
71.25118	2.3
71.53976	3.5
73.02895	2.8
79.05492	16.5
81.03410	4.7
81.07056	47.2
83.04997	4.8
83.08623	28.4
85.02927	5.4
85.06557	5.5
86.09688	2.8
87.04480	3.8
91.05479	18.2
93.07050	22.3
95.04962	5.5
95.08609	40.8
97.02883	3.3
97.06528	9.1
97.10162	21.8
99.08083	3.4
105.07021	13.5
107.08564	13.9
109.10149	25.8
111.08073	4.3
111.11716	7.6
111.60183	3.2
119.08583	18.4
121.06503	4.2
121.10155	19.1
123.08080	4.8
123.11744	7.0
125.09643	4.7
131.08568	2.8
132.62785	2.9
133.10138	11.2
135.08040	5.0
135.11687	14.1
136.06198	9.7
137.09645	3.0
145.06516	3.5
147.11714	7.6
149.13266	6.4
151.11220	4.0
153.12796	3.0
159.11707	2.9
161.09639	2.9
161.13263	6.6
167.07077	23.6
169.02570	4.3
175.14818	2.9
177.08995	3.0
217.19550	16.4
234.13516	6.2
235.20596	11.8
248.16585	3.6
249.16801	7.8
250.14319	3.9
253.21588	9.1
265.19937	7.0
271.17010	5.0
272.10315	5.5
280.60928	2.9
289.18100	4.9
309.24283	6.7
318.14224	3.2
327.25320	100.0
345.26483	6.4
363.22656	8.4
363.27206	32.8
364.19803	3.3
364.24353	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	363.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12431	2.2
53.03947	2.4
55.01883	2.4
55.05518	46.2
57.03448	9.7
57.07059	4.4
58.37092	1.9
59.36943	2.0
67.05190	2.0
67.05515	33.5
69.03428	3.1
69.06732	2.7
69.07078	42.9
69.77222	11.1
71.05001	2.5
71.08632	2.7
79.05502	25.7
81.03398	2.3
81.06596	2.8
81.07066	46.0
83.04974	4.4
83.08210	2.5
83.08633	26.1
83.27422	2.0
85.02888	2.1
85.06530	3.9
87.04467	9.1
91.05492	24.9
93.07049	27.0
95.04965	3.0
95.08073	2.5
95.08623	34.9
97.06522	7.1
97.10181	31.1
98.21423	2.3
99.08099	4.6
103.05435	2.4
105.07046	12.3
107.04942	2.2
107.08602	20.5
109.06441	2.4
109.10156	18.0
111.08099	3.7
111.11729	10.4
113.09649	2.0
117.07014	9.4
119.08591	27.6
121.06539	3.4
121.10155	16.6
122.51080	2.0
123.08055	3.2
123.11688	9.0
125.09646	20.9
125.13309	2.3
131.08580	3.7
133.10136	15.8
135.08038	6.4
135.11713	12.3
137.09537	3.6
137.13286	3.3
139.11148	2.3
145.06506	9.2
145.10097	3.7
147.08093	2.4
147.11676	8.2
149.13252	4.6
151.11191	4.6
151.14761	2.6
153.12756	3.4
157.10207	2.6
159.08115	3.3
159.11714	2.8
161.09644	2.2
161.13252	7.4
162.12779	7.7
163.07420	2.2
163.13115	7.2
167.07068	6.6
171.10176	2.6
175.14848	3.1
179.16165	2.8
189.11208	20.1
217.19571	14.2
235.20625	16.1
236.66518	2.0
248.16486	7.9
249.16870	22.9
253.21611	10.0
264.19659	3.1
265.19916	13.6
271.16989	12.9
272.10275	3.4
289.17990	8.5
309.24216	4.9
327.25348	100.0
328.25635	2.1
345.26294	8.8
350.69400	2.1
359.04520	2.3
363.17746	4.9
363.21793	13.8
363.27194	60.7
363.60251	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	363.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.3
55.05515	3.2
57.03431	0.8
65.62590	0.3
67.05508	2.6
68.07629	0.3
69.07076	1.9
70.08294	0.8
70.08686	1.0
79.05489	2.0
81.03417	0.5
81.07058	2.5
83.04961	0.7
83.08611	1.7
85.02871	0.4
87.04453	1.6
88.04793	0.3
91.05482	3.2
93.07030	1.8
95.04931	0.5
95.08608	2.5
97.06532	0.4
97.10162	1.6
97.25988	0.3
103.05505	0.4
104.31289	0.4
105.07025	0.9
107.08602	1.3
108.60029	0.4
109.10156	1.2
111.08049	0.5
111.11736	0.6
112.99995	0.7
115.05430	1.8
117.05720	0.5
117.06990	2.2
118.06545	26.8
119.08572	2.3
121.06544	0.4
121.10117	1.1
123.08053	0.4
123.11697	0.4
130.06554	0.5
131.08554	0.8
132.08080	2.0
133.08855	1.4
133.10121	1.0
134.09627	0.6
135.08089	0.6
135.11671	0.7
137.09602	0.4
142.06526	2.2
143.07324	2.3
144.04372	0.4
144.07005	0.7
144.08092	11.4
145.06497	0.9
145.10143	0.5
146.06012	45.2
146.09589	1.9
147.08081	0.3
147.10374	0.5
147.11670	0.5
149.13187	0.4
155.06058	0.4
159.08038	0.9
159.11739	0.4
160.07581	0.4
162.12747	1.8
163.07446	0.5
163.13116	1.5
167.07059	1.2
170.06024	3.2
176.14349	100.0
177.14693	1.2
188.07066	29.9
189.07437	0.5
189.11226	1.2
195.12042	0.5
212.97418	0.4
216.13905	1.1
217.19513	0.8
234.12756	0.4
234.14842	1.6
235.20503	0.5
248.16426	2.0
249.16771	3.6
257.23193	0.3
265.19974	2.6
271.16916	1.0
272.10294	0.8
289.18045	1.2
327.25314	3.8
345.20728	0.4
363.20679	30.3
363.27271	8.4
364.20776	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1804
Annotation	3,4,5,3',4',5'-Hexamethoxybibenzyl
Peak:m/z	Relative Intensity
53.03949	3.8
54.26051	0.7
54.52163	0.8
55.01876	2.9
55.05507	2.8
57.03436	3.5
65.03948	0.8
65.07863	0.7
67.05515	3.3
69.03442	1.0
69.07060	1.2
69.42429	4.4
69.42839	1.3
71.04987	1.4
71.30992	0.8
75.04516	1.0
78.04710	1.1
79.05495	6.5
81.03425	100.0
81.07060	4.6
83.05008	1.4
83.08669	1.0
85.06554	1.2
91.05480	10.6
93.07054	1.8
95.01350	2.8
95.04974	3.8
95.08618	3.4
98.20779	1.7
100.07621	1.6
102.09154	0.9
103.05485	2.5
104.06255	2.4
105.07045	11.4
107.04955	6.5
109.02897	1.8
109.06532	1.5
115.05466	10.5
117.07018	4.3
118.06532	0.9
119.04955	1.9
119.08587	3.7
120.08135	1.5
121.02927	0.9
121.06521	3.0
123.08081	1.5
127.03941	1.1
128.06233	0.9
129.07005	2.9
131.04942	7.8
131.08653	1.2
132.05714	0.9
133.06508	9.2
133.10164	1.9
135.07997	0.8
136.06218	2.3
137.06020	1.7
142.08725	0.9
143.04915	0.9
143.08621	2.4
145.06519	2.3
146.08150	1.6
147.04431	5.9
147.08025	1.8
157.06512	1.2
157.10141	1.9
159.04449	4.4
159.08081	2.8
160.05209	27.3
161.05998	27.4
161.09628	7.7
163.11160	1.5
167.07085	1.6
171.04456	1.1
171.08076	1.9
173.06009	10.8
175.11188	2.7
176.14349	7.1
179.12503	0.9
182.91385	0.8
185.09630	1.6
187.07550	4.8
189.09070	3.7
203.10707	8.9
221.11732	2.9
230.15407	1.3
231.14952	0.8
243.13892	3.7
253.12314	1.2
271.13297	16.2
277.14496	1.4
278.17596	1.6
289.14352	17.4
295.15424	5.5
304.12735	1.0
345.17358	3.6
363.18121	73.4
363.22781	7.9
364.19388	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68973	2.9
53.03931	3.5
54.44728	2.7
55.05517	16.3
61.48106	2.5
65.03934	2.8
66.80027	2.5
67.05508	33.3
69.07067	43.1
69.95305	12.3
71.04978	4.6
79.05501	23.9
81.03378	3.9
81.07056	32.1
83.04980	3.2
83.08611	6.9
87.04468	17.8
91.05484	21.0
93.07043	32.6
95.04980	5.3
95.08610	23.6
97.06512	9.5
97.10133	3.6
105.07035	22.0
107.04980	4.6
107.08612	19.9
108.08126	6.3
109.06535	2.8
109.10134	10.6
110.81387	3.3
111.04440	12.0
117.06975	3.6
119.04890	3.6
119.08559	15.4
121.10162	5.6
123.08079	3.4
131.08534	8.3
133.10118	12.3
135.08104	4.4
135.11693	8.4
136.07564	5.1
145.06564	2.7
145.10132	7.5
146.05852	2.6
147.11694	7.0
149.09619	23.0
159.11749	7.0
161.13280	9.2
162.12776	15.4
163.11171	8.4
165.05569	4.7
171.80673	2.5
173.13254	2.9
174.96780	4.9
178.15820	2.8
179.14313	9.3
181.12231	10.1
182.08150	3.4
184.08153	2.6
194.11790	12.7
195.13750	6.3
196.13382	2.8
220.78914	3.4
229.19624	3.8
247.20518	3.5
248.16467	41.1
257.19046	4.7
264.19513	23.4
271.90817	3.2
275.20068	65.7
293.21140	10.5
316.19489	3.0
362.19608	6.4
362.26907	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.6
55.05499	9.9
55.36420	2.4
57.26669	2.5
59.87485	2.7
61.94540	2.6
67.05506	26.0
69.06734	2.9
69.07072	42.4
69.95042	10.0
70.06587	6.3
71.05004	3.0
77.33798	2.5
79.05495	24.3
81.03412	5.3
81.07052	33.8
83.08615	3.7
84.08145	2.7
86.73788	2.7
87.04469	17.6
91.05489	18.5
93.07054	23.1
95.04963	6.6
95.08600	23.8
97.06519	9.0
97.10178	3.1
98.06052	3.6
98.20846	3.9
105.07038	18.4
107.04945	4.3
107.08591	17.1
108.08118	8.2
109.10165	7.2
111.04442	7.3
111.08113	3.3
113.87949	2.5
117.07026	5.1
119.08586	16.9
121.06550	2.5
121.10153	11.6
125.09651	3.4
129.07024	5.2
131.08585	6.2
133.10133	12.7
135.08054	2.9
135.11700	10.6
136.07614	5.1
136.11241	3.6
137.09627	3.5
145.10130	6.2
146.87784	2.7
147.11688	7.7
149.09619	17.9
151.11206	3.5
157.09996	3.3
159.11737	6.5
161.13271	8.0
162.12764	11.9
163.11194	8.0
165.05588	3.8
171.11745	3.8
173.13249	4.5
178.15947	4.9
179.14322	7.4
181.12268	7.2
182.08186	4.9
184.13322	3.2
192.10153	3.0
194.11790	9.0
195.13835	7.6
213.14815	4.3
222.14845	4.7
247.20694	3.4
248.16406	22.5
256.63632	3.4
257.18982	6.9
264.19583	44.2
273.18808	3.1
275.20059	62.3
293.21075	13.6
316.19232	4.2
362.26910	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
60.04505	1.4
61.02924	1.9
63.23272	1.1
63.80222	1.2
65.50097	0.9
69.03423	4.3
70.06623	1.1
70.92353	1.9
71.91518	1.0
73.02885	1.2
78.37637	1.0
79.05486	3.0
81.03394	2.7
85.02428	1.9
85.02909	24.3
87.75243	1.2
91.05493	1.8
93.07042	3.7
97.02889	6.2
105.07041	17.4
109.02880	2.7
109.06546	1.6
119.08604	1.4
122.03625	1.3
127.03901	4.6
133.06505	46.1
137.05984	100.0
137.09593	2.7
140.11511	1.3
145.04964	4.5
151.07692	1.0
165.09129	38.9
180.08641	3.3
182.12683	1.2
183.10181	61.1
200.13580	2.0
231.10347	1.0
344.24655	1.5
362.12268	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	362.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01865	1.9
55.05512	0.6
57.03424	1.8
60.04530	5.1
61.02931	2.7
67.05496	1.1
69.03433	5.4
70.06584	1.8
70.10986	1.9
71.04975	1.5
72.08167	0.8
72.62649	0.5
73.02889	0.7
73.21472	0.5
74.02455	0.6
74.06084	0.5
79.05494	2.4
81.03429	3.0
81.04499	0.5
81.07060	1.7
82.82204	0.5
84.04485	0.7
85.02907	23.3
86.09700	0.9
91.03966	1.1
91.05490	2.6
92.41335	0.4
93.07049	1.6
94.04228	0.6
95.04948	1.0
95.08608	1.5
97.02899	6.2
98.06070	0.7
99.04449	1.0
103.05494	0.8
105.07035	18.2
107.04964	0.7
107.08590	0.9
109.02861	2.4
109.06467	1.2
110.06056	0.9
110.07162	0.5
114.09158	0.6
116.07018	0.6
117.07063	0.6
119.08557	1.5
120.08135	0.8
121.10097	0.5
122.03649	0.8
123.04386	0.7
124.05251	0.5
127.03938	4.4
132.95804	0.6
133.06500	42.5
134.08138	0.8
137.05981	100.0
138.06352	0.6
145.04965	4.1
145.05956	0.5
145.06470	0.5
147.04388	0.8
147.08061	0.7
163.06049	0.5
163.07503	0.6
165.09120	35.2
166.98483	0.5
175.07611	0.6
180.08717	1.4
183.10173	50.6
211.13321	0.9
254.17755	0.8
300.17990	0.7
308.22131	0.6
316.16772	1.4
318.18793	1.5
326.23218	2.0
344.24286	2.7
362.12784	2.3
362.17166	2.3
362.25470	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	25.8
57.07078	7.5
67.05512	29.8
69.03439	6.3
69.07074	48.2
70.70467	3.4
70.78056	5.9
70.78362	5.5
71.05006	11.5
75.26038	4.3
79.05494	19.6
81.07059	100.0
83.04958	8.6
83.08608	19.4
85.02927	3.8
85.06554	13.5
87.04471	9.3
91.05481	10.8
93.07043	53.4
95.04977	13.4
95.08611	65.5
95.47507	4.2
97.06507	7.2
97.10162	9.4
97.53595	3.3
99.08127	3.5
104.84235	3.4
105.07053	20.9
107.08601	35.3
109.06528	5.8
109.10162	39.7
110.10604	3.6
111.08083	10.7
111.11730	7.3
119.08597	12.0
121.10153	30.2
123.11729	30.8
127.11192	7.1
133.10138	6.4
135.11681	29.9
137.13284	16.0
139.11192	7.9
145.10170	6.3
147.11685	11.0
149.13239	13.3
152.07098	4.2
153.12746	14.3
159.11809	5.0
161.13264	5.9
162.12860	5.6
163.14870	6.9
165.12766	5.1
175.14854	8.1
215.17892	5.0
217.07695	3.4
248.16553	11.0
264.19492	6.0
271.24139	3.7
289.25241	6.4
295.26303	7.0
307.26376	12.9
325.27121	5.6
361.09247	13.1
362.26755	9.3
375.03754	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	361.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01860	5.9
55.05518	19.5
57.03432	19.9
57.07069	7.0
61.02926	3.1
67.05181	4.6
67.05510	66.2
69.03438	4.4
69.07069	34.0
70.46282	5.8
70.46646	5.9
71.04998	20.3
71.08616	3.1
72.08155	5.0
79.05495	34.1
81.07066	100.0
82.07391	2.7
83.04955	4.4
83.08614	14.6
85.02898	3.4
85.06561	33.0
86.13327	3.1
91.05484	28.2
93.07056	55.4
95.04959	4.4
95.08615	65.8
97.06534	16.2
97.10179	6.8
99.08076	8.0
103.03951	12.3
105.07065	19.0
105.07652	4.2
107.08599	33.8
109.10175	36.8
111.08102	15.4
111.11716	6.6
117.05498	18.0
117.07034	8.1
119.08604	16.5
121.06480	4.6
121.10153	38.6
123.08068	3.7
123.11712	26.2
125.09638	8.7
131.08617	22.0
133.10143	27.8
135.08040	6.8
135.11671	24.8
137.09604	6.2
137.13231	8.2
139.07391	2.9
139.11227	3.5
145.10129	20.6
147.11705	7.3
149.09639	5.0
149.13251	24.5
151.07452	3.4
151.11197	8.9
153.12769	6.9
155.14340	3.1
159.11719	8.0
161.13187	5.6
163.11218	5.5
163.14760	2.9
165.12721	4.6
169.12244	3.1
173.13255	8.1
183.10225	2.9
187.14850	6.6
189.16367	4.9
199.16797	3.7
215.17978	33.3
233.19028	34.8
239.20090	4.3
251.20110	43.7
255.11278	3.4
269.21240	7.3
273.12311	12.0
290.21008	3.1
301.11911	3.9
307.26270	4.3
325.23773	33.2
343.24789	26.0
361.09222	6.9
361.13483	6.3
361.21445	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45717	0.9
55.51715	0.9
56.89696	0.9
57.07096	1.1
67.05501	2.1
69.07099	1.2
69.25028	8.2
71.05051	1.0
76.13219	0.9
79.62759	0.9
81.07050	1.3
91.05447	1.4
93.07040	1.2
105.07053	1.8
110.24321	0.9
117.03210	0.9
119.01093	1.0
119.08603	1.2
151.12560	0.9
173.05727	1.0
185.08191	1.2
193.05029	3.0
196.03131	1.0
201.08939	3.2
210.35609	0.9
215.93820	0.9
229.07477	1.3
240.42264	1.1
247.08521	0.9
249.14594	1.2
256.26379	1.0
271.16550	1.0
274.18961	1.7
287.16183	2.4
315.15680	100.0
318.00598	1.1
343.18777	1.7
350.18301	1.0
361.19904	46.2
361.29013	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	360.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31480	5.5
55.05512	32.0
67.05511	84.1
69.07066	23.4
70.07998	24.9
75.21205	5.3
79.05491	35.6
80.23462	5.7
81.07066	49.5
83.08629	26.9
85.06562	6.6
91.05492	20.4
93.07044	43.3
95.08617	24.8
97.06537	10.6
97.10172	27.7
99.08027	6.1
105.07050	27.3
105.36856	6.4
107.08591	57.0
109.10159	87.8
111.08089	12.4
118.99542	5.3
119.08569	23.2
121.06556	5.6
121.10160	12.1
125.09634	22.5
131.08577	13.1
133.10153	20.1
135.08052	8.5
135.11716	6.4
137.09590	6.4
145.10141	14.0
147.04625	6.0
147.11615	8.5
149.09679	12.4
149.13268	12.6
155.10681	36.2
159.11710	8.2
163.11227	5.7
173.11774	100.0
187.13313	98.5
195.13951	13.1
198.83453	6.5
203.12776	44.2
213.14886	5.7
227.16376	6.8
239.17876	9.7
257.19098	15.1
275.20120	43.4
289.21649	14.8
307.22672	9.7
349.65259	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	360.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51647	3.0
53.03935	4.1
55.01865	5.5
55.05515	33.7
57.03428	4.1
60.85223	3.2
67.05511	65.8
69.03423	5.2
69.07072	33.7
70.57926	7.5
70.58252	3.5
71.04997	100.0
73.06578	4.2
79.05505	63.5
81.07064	57.6
83.04964	5.8
83.08623	21.2
85.02898	6.5
85.06535	6.2
87.04464	4.1
91.05491	26.6
93.07055	62.2
95.04958	4.1
95.08614	33.9
97.06520	10.3
97.10195	22.0
104.32736	3.0
105.07041	17.8
107.08611	47.2
109.06523	4.7
109.10168	39.9
111.08084	4.7
117.06998	5.5
117.77538	3.5
119.08566	14.5
121.06503	5.7
121.10160	55.1
125.09635	23.9
131.08580	10.8
133.10130	16.6
135.11710	15.4
137.09639	7.0
145.10130	9.4
147.11664	9.5
149.09625	11.7
149.13263	7.3
153.12758	40.5
155.10701	16.8
156.06358	3.0
159.11656	13.6
163.11153	5.7
171.10210	3.7
173.11745	62.9
177.12732	10.4
179.14345	4.0
187.14705	4.0
189.11250	24.3
190.14282	3.4
195.13832	15.3
209.15309	5.3
221.15231	3.7
227.16449	51.5
239.17862	4.3
257.19016	10.2
275.17288	5.3
275.20099	66.2
303.78397	3.4
306.90942	3.1
307.22699	8.5
316.96503	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	360.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	12.7
57.03419	6.1
57.10008	5.3
67.05519	29.5
69.03416	7.1
69.07059	20.1
71.04996	100.0
71.54388	8.5
79.05481	24.0
81.07063	51.0
83.08616	11.5
84.08189	5.3
85.02888	20.3
91.05487	24.6
93.07056	33.7
95.08608	25.2
97.02904	6.6
97.06552	10.8
97.10175	9.4
105.07017	16.8
107.08588	22.3
109.06506	9.4
109.10131	15.8
111.08049	6.7
111.64646	5.6
113.05979	8.1
117.07055	5.6
119.08588	14.2
121.10112	8.8
125.09599	8.2
127.03984	10.3
131.08583	14.0
133.10117	17.9
135.08107	9.2
135.11699	20.2
145.04976	11.0
145.10127	7.1
147.11676	10.3
149.09593	6.6
149.13249	10.2
159.11673	17.1
163.11266	7.1
165.71577	6.3
177.12766	11.1
179.14246	5.6
189.11221	8.6
195.13794	19.8
209.15387	11.0
213.14864	10.3
227.16431	78.1
252.26524	6.8
275.20013	38.8
307.22357	9.0
346.73999	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	360.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	11.0
55.01874	12.1
55.05511	31.5
55.74627	3.4
57.03425	12.6
59.04993	11.5
59.82554	3.2
60.65056	3.4
65.03929	8.4
67.05508	81.4
69.03438	17.1
69.07072	94.3
70.04205	4.9
70.11082	12.7
71.01363	9.3
71.04611	3.7
71.04999	56.3
73.02917	13.8
73.79449	3.6
79.05500	73.9
81.03433	21.3
81.07063	69.0
83.04971	9.6
83.08640	17.6
84.02137	13.2
85.02911	5.1
85.06555	10.5
91.05491	55.6
93.07050	55.4
94.04221	4.4
95.04997	29.7
95.08616	24.4
95.56434	3.8
96.05711	4.6
97.02882	9.5
97.06541	100.0
97.10183	10.3
99.08090	8.6
105.07048	30.8
107.04963	5.8
107.08608	29.2
109.06523	13.7
109.10151	22.6
111.08107	8.9
113.76716	4.0
115.07584	61.6
117.07029	12.9
119.08606	18.6
121.06485	6.2
121.10159	28.1
123.08096	7.9
123.11699	5.1
125.09621	12.0
127.03908	5.8
129.06963	6.6
131.07063	10.8
131.08589	13.1
133.10139	17.0
135.08046	5.6
135.11734	9.5
145.10133	8.1
147.07983	5.4
147.11731	7.2
149.09641	7.8
151.11169	3.8
153.12779	11.3
159.11674	8.4
163.11206	5.2
165.12814	5.6
173.11728	16.9
189.11223	8.8
194.13048	34.5
212.14134	5.9
249.15039	3.9
275.20117	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	360.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
61.02929	0.9
69.03435	2.9
69.76266	1.7
69.76672	1.0
70.06585	0.7
72.08154	0.9
73.02899	0.7
75.60807	0.5
81.03416	1.0
84.77412	0.5
85.02909	11.8
86.09726	1.1
87.04446	0.5
91.03949	0.5
91.05476	1.8
94.41413	0.5
95.04995	0.7
97.02894	3.5
102.37656	0.4
117.07007	0.9
119.04970	3.5
123.04437	100.0
127.03909	1.7
135.08057	2.0
145.04976	3.5
145.06459	3.4
147.04420	19.0
163.07550	34.9
165.72124	0.5
180.08688	1.7
180.51117	0.6
181.08607	11.8
191.07048	1.6
193.69252	0.5
198.11330	1.2
208.09764	1.9
232.44173	0.6
295.72980	0.6
360.14545	1.0
375.37170	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13494	1.9
53.03932	2.5
55.01863	2.3
55.05500	4.3
60.04513	3.1
67.05478	6.0
67.87388	2.0
69.03415	6.1
69.07054	5.1
70.06593	14.1
71.04964	2.4
71.53326	3.6
73.02888	2.6
78.37769	1.9
79.05485	7.7
81.07049	18.1
83.04989	2.2
84.08133	2.4
85.02892	12.0
86.09689	8.5
88.04001	3.3
91.05466	7.5
93.07058	16.4
95.04995	3.7
95.08604	7.4
96.08127	6.2
97.02875	2.8
97.06532	2.0
103.05396	2.4
105.07028	7.6
107.08601	14.5
108.08927	6.5
109.06551	2.8
109.10149	4.7
117.07001	3.0
117.80711	2.4
119.08576	11.1
120.08072	2.7
120.08987	2.5
121.06499	6.5
121.10160	16.5
123.04410	5.8
124.07589	6.7
127.03871	3.6
127.07529	2.4
133.10074	3.6
135.08025	3.0
135.11613	3.8
137.05977	9.3
138.09097	3.4
142.08630	2.6
145.04985	3.2
145.10127	16.4
147.11711	3.9
156.06602	2.4
163.07542	10.5
163.11183	100.0
166.08607	2.9
180.11015	2.4
180.13812	6.8
181.08641	4.5
182.09308	3.0
197.11693	13.0
198.02231	2.4
198.12111	20.1
198.14877	24.8
200.13640	2.5
201.12360	2.5
210.11215	2.1
254.17465	3.0
316.17694	3.4
360.20163	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	360.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
61.02927	0.7
62.13584	0.5
69.03416	1.1
70.06566	0.5
81.03423	0.8
85.02916	4.1
86.09679	1.8
93.07049	0.5
97.02886	1.7
107.08578	0.7
108.08929	0.7
108.36455	0.5
121.02874	2.6
127.03894	1.0
133.02853	2.2
135.04428	1.2
145.04936	0.8
145.78758	0.5
149.02350	100.0
160.24483	0.5
163.03917	62.8
180.08723	0.9
181.04968	36.0
190.05017	0.7
197.11780	1.7
198.12128	2.3
247.50877	0.5
363.06885	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.7
58.14897	0.7
61.02920	2.1
69.03423	2.6
70.06584	2.0
71.52747	0.7
71.53140	0.9
72.08150	4.4
81.03418	1.3
84.04546	0.8
85.02911	12.1
86.09704	1.4
91.05475	2.3
97.02921	3.7
103.64761	0.7
105.03360	0.9
107.04958	1.0
107.08621	0.8
108.81083	0.7
109.02887	1.1
117.07022	0.9
119.04915	4.0
123.04435	100.0
127.03923	3.0
131.04965	2.0
135.08037	2.6
136.07520	0.8
137.06009	0.9
145.04982	4.2
145.06490	2.6
147.04417	24.4
163.07549	34.3
164.07890	0.8
180.08705	2.4
181.08609	10.6
191.07060	1.5
197.12906	0.9
198.11258	2.5
201.12346	1.7
208.09705	2.3
229.11755	1.7
243.13606	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	360.129
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04510	1.3
61.74162	0.7
65.03928	0.8
69.03436	0.9
70.06596	1.3
70.76565	2.4
72.08154	1.7
76.71677	0.7
79.57980	0.6
81.03442	0.9
85.02917	4.4
86.09721	2.4
91.05482	8.1
97.02926	0.8
98.97597	0.8
103.05390	0.8
108.96925	0.7
117.03400	0.9
119.04111	1.5
119.04960	24.2
123.04446	2.0
127.03926	1.3
129.49976	0.8
130.18930	0.7
131.04947	1.6
135.04445	2.1
137.05923	0.8
145.02902	1.1
145.04945	1.5
147.04428	100.0
148.04837	0.9
163.03931	10.9
163.07542	1.4
174.77637	0.8
181.04974	6.2
188.00539	0.7
191.07071	4.3
208.09709	5.0
262.43472	0.7
325.09396	1.1
360.14371	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	359.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.2
55.05515	100.0
57.68727	0.8
58.15786	0.9
67.05511	9.7
69.07057	3.8
69.71758	3.5
69.72168	1.6
70.17392	0.9
71.05007	0.9
79.05498	17.6
81.07059	12.3
83.08624	60.6
89.05856	0.8
91.05495	6.4
93.06479	1.5
93.07043	23.5
95.04907	1.4
95.08613	8.6
97.06551	0.9
97.10117	1.3
98.21485	1.6
101.69735	0.9
105.07036	6.5
107.08601	13.6
109.10165	5.3
117.07000	1.8
119.08576	6.0
121.10146	10.3
123.11666	1.3
129.06995	0.9
131.08582	2.4
133.10124	4.5
135.11700	14.6
143.08556	1.0
145.10080	2.6
147.11649	4.0
149.13274	8.7
159.11699	2.3
161.13261	3.0
163.14857	3.3
173.13293	1.5
175.14832	2.3
189.16484	0.9
208.26215	0.9
221.15411	1.2
235.16853	1.5
259.20541	2.7
275.20059	2.9
277.21628	20.0
359.29504	15.1
359.36887	4.7
380.95486	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90274	2.4
53.03940	7.9
53.22681	2.3
55.01864	9.8
55.05313	2.1
55.05516	27.3
57.03423	10.5
57.07074	4.4
59.05008	3.8
61.02919	4.8
61.13913	2.5
63.55724	2.4
67.05512	22.6
68.99777	3.5
69.03435	42.1
69.07072	100.0
71.01334	2.7
71.04980	11.3
71.08621	2.2
71.54004	2.2
77.49242	2.2
79.05496	20.8
81.03419	25.0
81.07052	47.9
83.04994	15.2
83.08623	8.5
85.02910	25.6
85.06548	23.7
87.00811	11.8
87.04485	3.0
90.94889	2.7
91.05489	24.1
93.07044	41.9
94.83137	2.4
95.04968	13.2
95.08615	28.7
97.02898	12.3
97.06513	10.6
97.10174	4.3
99.04452	9.1
99.08079	7.0
103.05441	5.1
105.01859	3.0
105.07042	22.7
107.04939	5.9
107.08593	31.5
109.02859	7.8
109.06524	14.2
109.10153	27.9
111.04437	11.5
111.08098	33.8
111.11724	12.9
113.05887	2.4
115.03901	4.4
117.07018	5.9
119.08595	21.0
121.06514	12.4
121.10147	20.3
123.04431	2.8
123.08056	8.0
123.11709	20.2
125.05945	3.9
125.09657	5.1
127.03914	13.1
127.07544	2.3
127.11189	6.6
129.07028	3.0
130.94722	2.5
131.04922	4.9
131.08568	11.0
133.10144	21.1
135.08069	9.1
135.11684	15.1
137.05946	8.4
137.09657	18.0
137.13260	5.5
139.07568	12.5
139.11169	10.0
141.09120	2.6
141.12701	8.7
143.08582	5.7
145.10110	9.4
147.08043	5.0
147.11731	18.2
149.09634	7.6
149.13248	6.0
151.11194	8.5
153.12779	5.5
159.08028	5.9
159.11711	6.8
161.09625	10.9
161.13202	3.3
163.11194	8.8
165.09088	3.6
165.12750	8.5
167.07053	5.9
169.12231	6.8
173.13245	4.3
175.11168	5.5
177.09267	3.9
177.12750	10.6
179.10721	16.5
179.14265	3.1
179.80064	2.8
189.03897	2.9
191.14461	4.0
195.13832	9.8
197.11700	7.0
201.12747	7.9
219.13853	16.9
231.05104	5.0
237.14772	14.7
241.80574	2.7
249.18486	6.0
255.15846	4.2
273.22269	2.5
291.94821	2.6
297.17035	14.4
305.24734	5.1
323.14917	44.2
323.25644	3.2
341.16180	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	359.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01857	2.8
55.05504	1.5
57.03426	2.9
61.02935	5.3
67.05498	2.4
68.57511	0.8
69.03085	0.9
69.03429	12.3
69.07066	1.6
69.79848	3.0
70.06589	2.1
71.04999	1.9
72.08124	1.3
73.02907	2.2
79.05486	2.1
81.03425	4.8
81.07049	3.2
85.02910	39.4
86.09693	2.8
87.04472	2.0
91.03940	2.8
91.05479	6.1
93.03353	0.9
93.07033	4.1
95.04955	2.5
95.08611	3.7
96.79189	0.8
97.02904	12.0
99.04448	2.5
103.05468	4.6
105.07038	5.9
107.08606	48.0
109.02879	3.2
109.06509	3.3
109.10174	8.9
118.31270	0.7
119.08572	3.1
119.84666	0.7
121.06504	2.1
121.10204	1.1
123.04424	3.1
123.08083	1.4
123.11730	1.3
127.03930	7.6
131.04942	12.2
131.08540	0.9
131.33546	0.9
133.10141	21.6
135.11714	8.9
137.05989	12.7
137.06976	1.4
137.09604	8.4
142.03189	1.7
145.02881	1.3
145.04950	10.7
147.04451	1.7
147.08057	0.8
151.03900	0.9
151.11177	4.2
153.05408	1.2
161.09637	8.2
163.03883	1.6
163.07552	4.6
175.07512	0.9
179.10652	21.6
191.07001	1.6
196.25887	0.7
197.11734	100.0
198.11987	1.5
208.09680	2.7
212.08167	0.8
255.10152	1.2
266.25781	0.7
277.23468	0.8
279.10483	0.8
349.76605	0.9
359.16806	1.6
359.21793	2.0
360.14063	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1703
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
55.01861	1.9
55.05508	0.8
57.03431	2.2
61.02941	3.5
66.50587	0.7
67.05498	2.2
69.03437	7.0
69.07053	1.1
70.06586	2.0
70.74635	2.0
71.04962	1.2
72.08162	1.0
73.02900	1.3
79.05499	2.7
81.03404	2.9
81.07047	3.3
81.88436	0.6
85.02913	22.8
86.09718	4.0
87.04431	1.0
87.55627	0.7
91.03939	1.2
91.05498	3.6
91.84069	0.6
93.07048	6.5
95.04944	1.0
95.08603	2.7
97.02889	4.6
97.06524	0.7
98.10175	0.7
99.04434	1.1
103.05465	2.1
105.07027	6.7
107.04969	1.5
107.08606	32.2
109.02893	1.9
109.06517	1.1
109.10165	1.5
113.06015	1.9
114.05484	0.7
119.08589	5.8
121.06539	1.2
121.10173	5.2
123.08021	0.9
123.11708	1.0
127.03942	3.7
131.04939	4.6
131.08543	1.3
133.06448	0.9
133.10152	17.8
135.11705	2.2
137.05977	4.2
137.09639	1.7
139.07555	1.2
143.08562	1.1
145.04980	4.0
147.04424	1.4
149.02347	8.9
149.09633	2.8
151.07544	1.7
151.11223	6.9
161.09662	5.4
163.03940	5.0
163.07532	2.0
167.10703	15.7
175.07549	0.9
179.10667	15.3
181.04964	2.4
183.11325	0.8
187.07585	1.1
197.11746	100.0
198.12050	1.7
200.13943	1.9
226.15814	0.9
341.13846	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1338
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
55.01854	2.7
57.03439	2.1
69.03418	7.3
70.06572	4.0
71.04987	2.0
71.53386	2.0
72.08155	11.3
73.02922	24.3
81.03400	2.7
83.06113	5.1
83.45172	1.7
84.04499	6.0
84.08143	3.0
85.02901	10.2
86.09734	11.7
91.05479	4.7
95.04955	2.9
97.02909	2.8
99.08091	4.5
110.06074	2.2
115.05508	2.3
119.04955	3.8
119.06055	13.9
123.06834	2.7
125.06001	21.1
126.31509	1.9
127.03921	3.2
132.10219	5.0
137.05966	11.6
137.07010	4.2
147.04376	9.1
147.05531	12.7
148.06323	40.6
149.04811	3.2
149.05994	3.1
149.07121	52.8
151.03917	73.9
151.05032	4.4
151.07487	3.2
165.06627	41.8
166.07382	7.5
175.07491	2.3
179.06969	15.7
179.08318	35.2
182.12852	3.6
183.11299	3.1
191.07036	2.6
197.07855	70.3
197.09497	14.4
208.09692	2.6
210.87114	2.1
307.91336	2.1
341.21771	4.8
359.14459	100.0
360.14911	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	359.1338
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
53.95014	1.4
55.01865	3.0
57.03440	1.3
60.86710	1.2
61.64043	1.5
61.67195	1.4
67.05494	2.9
69.03430	4.2
70.00509	1.3
70.06577	2.2
71.53179	1.4
71.53548	1.7
72.08156	6.2
73.02919	25.9
81.03420	2.0
83.04977	1.8
83.06099	4.0
84.04499	4.6
85.02922	8.9
86.09723	11.1
91.05477	3.3
93.03392	1.8
95.59245	1.3
97.02890	3.2
99.08088	2.0
103.05485	1.8
107.04989	1.4
115.07576	1.4
119.04959	2.4
119.06046	2.7
123.07990	1.9
125.05995	30.0
125.06867	2.5
126.81360	1.4
127.03921	2.4
130.90948	1.4
131.04938	2.7
132.10222	3.1
137.06004	11.3
137.87698	1.3
138.09126	2.9
147.04422	7.8
147.05489	2.6
148.06287	9.0
149.06027	3.5
149.07076	11.8
151.03917	85.3
151.05016	6.0
151.07565	4.7
158.40799	1.3
161.06036	2.0
163.07578	2.3
165.06616	7.4
174.06859	1.6
175.07559	3.1
179.06941	25.3
179.08281	6.1
182.12914	2.3
183.11353	3.7
187.07549	3.7
191.07056	1.7
197.08070	100.0
200.13960	2.0
219.08234	1.5
328.91873	1.4
341.21942	4.8
359.13846	17.4
375.42996	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
53.85653	0.8
55.01873	1.1
55.05516	1.4
56.60615	0.6
57.03439	0.8
57.07077	1.2
67.05505	2.6
69.03436	2.4
69.07078	4.6
70.84973	1.7
71.04979	1.3
72.08150	0.9
79.05482	1.9
81.03424	1.6
81.06632	0.9
81.07065	6.5
83.05001	1.0
83.08614	1.1
85.02901	3.2
85.06558	3.6
86.09702	4.6
87.10042	1.0
91.05492	2.6
93.07056	3.4
95.08617	4.2
97.02905	6.8
97.06543	3.2
99.04421	1.1
99.08057	1.1
99.28183	0.6
103.05447	2.7
105.07027	2.7
107.04960	1.3
107.08592	2.8
108.41344	0.7
109.02885	3.0
109.06546	0.9
109.10175	3.9
111.04442	0.9
111.08046	2.0
119.04965	1.0
119.08575	2.4
121.06531	0.9
121.10126	2.0
123.08074	0.8
123.11681	1.1
125.09634	1.5
127.03941	2.6
131.04948	4.2
133.10141	1.3
135.11726	1.8
137.05972	6.1
137.09615	1.4
137.13203	0.9
139.11255	1.2
147.04419	1.4
147.11644	0.8
149.13304	0.8
151.03940	1.9
151.11192	1.3
153.05458	2.4
161.05984	2.5
161.13356	1.2
162.06366	1.7
163.07587	1.5
175.07521	1.2
176.84259	0.7
179.07079	2.2
179.14346	1.9
180.07443	1.1
187.07539	0.7
189.09087	1.3
197.11748	10.7
197.15392	1.3
219.08269	1.1
219.10269	1.8
227.05275	0.8
243.11382	1.1
247.07484	1.1
271.04172	1.1
273.13126	1.7
279.09998	0.9
299.08865	0.8
309.11111	1.0
315.14215	11.2
341.14063	1.1
341.19220	0.9
359.13126	100.0
360.13730	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.5
56.96276	0.6
57.03441	0.7
63.11798	0.5
67.05502	2.5
68.70927	0.5
69.03429	2.4
69.07066	2.5
69.39690	2.9
69.40110	1.9
71.04992	1.7
71.39176	0.5
73.17844	0.5
74.97991	0.5
76.30247	0.5
77.83692	0.6
79.05482	1.3
81.03419	1.4
81.07059	2.8
81.27081	0.6
83.08640	1.1
84.04495	0.6
85.02900	1.9
85.06564	1.7
86.09703	0.6
91.05481	2.2
93.07054	3.0
95.04973	1.1
95.08626	1.8
97.02880	0.9
97.06544	0.9
98.97490	0.6
99.04480	1.1
99.08112	0.7
103.05486	1.4
103.70953	0.5
105.07029	1.4
107.05047	0.6
107.08598	2.6
109.02898	1.3
109.10175	1.3
111.08106	1.0
114.43604	0.5
119.08672	0.9
121.06538	0.7
121.10170	1.4
123.11715	1.2
127.03922	3.0
131.04936	2.6
133.10153	1.3
135.11705	0.9
137.05986	1.1
137.09662	0.7
147.11717	0.8
157.10188	0.7
163.07483	0.6
169.06328	0.7
169.38342	0.5
179.10666	0.8
179.14372	0.7
197.05980	1.3
197.11768	2.3
197.15425	0.8
200.13953	0.7
213.03900	0.7
225.18497	0.8
231.05009	0.7
249.18753	0.7
255.10114	0.8
271.04294	1.5
273.13113	1.9
315.14185	13.0
341.23340	0.8
359.13153	100.0
360.13712	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64045	2.7
53.03936	8.3
55.01865	7.5
55.05515	38.6
56.05014	2.7
57.03421	10.9
57.07078	4.1
60.48434	2.5
65.03930	4.0
67.05512	77.3
69.03419	9.5
69.07075	48.3
71.01363	18.2
71.05000	7.4
72.95440	3.0
73.02921	3.0
76.45374	2.9
79.05500	62.9
81.03428	34.6
81.07063	100.0
83.04987	17.1
83.08630	19.0
85.06519	8.5
87.04470	5.1
88.07605	3.3
91.04919	3.1
91.05489	62.0
93.07056	59.0
95.04982	26.0
95.08611	40.8
97.06516	12.8
97.10175	8.8
98.20716	6.0
102.09216	4.4
105.07050	43.2
107.04960	7.9
107.08601	30.1
109.06506	11.2
109.10174	17.0
111.08075	7.8
117.06997	8.8
119.08598	33.6
121.06500	6.2
121.10152	20.6
123.08078	10.9
123.11688	3.6
125.09630	4.5
129.07027	9.3
131.08601	17.2
133.10162	29.5
135.08069	5.9
135.11763	13.2
137.09641	5.2
143.08624	4.1
145.10115	12.8
147.11700	14.1
149.09586	8.4
151.11229	3.6
157.10129	7.7
159.11629	5.9
161.13257	4.2
163.11156	4.7
165.12762	3.1
173.13271	4.8
175.11166	5.4
257.18994	3.6
275.19992	11.5
300.78546	3.1
307.22437	5.0
358.36560	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	358.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.4
55.01869	13.8
55.05515	54.9
57.03431	16.7
57.07089	7.2
67.05513	90.2
69.07073	64.4
69.96673	12.3
69.97079	8.9
71.01373	7.7
71.04987	7.0
79.05495	69.1
80.92640	4.2
81.03440	41.1
81.07065	100.0
83.04987	35.3
83.08636	20.8
85.06567	6.6
87.04483	6.5
88.07635	4.4
91.05489	59.3
93.07055	58.6
95.04974	33.0
95.08621	42.0
97.06544	19.9
97.10184	11.0
99.08075	4.9
105.07036	39.1
107.04951	9.9
107.08605	29.2
109.06528	11.3
109.10161	23.2
111.08105	10.6
117.07028	13.7
119.08598	28.8
121.10171	32.4
123.08083	17.3
125.09675	8.5
129.07024	8.1
131.08585	18.9
133.06625	4.0
133.10152	25.2
135.08066	9.6
135.11700	17.7
145.10153	13.2
147.08180	4.8
147.11707	13.3
149.09628	8.5
159.11731	9.3
175.11197	5.2
183.89430	3.7
194.13008	7.9
213.41063	5.2
243.76736	4.9
257.18991	7.8
275.20010	23.2
277.99152	4.5
289.21503	8.4
307.22678	11.9
313.28140	4.4
358.36142	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	357.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.05513	35.0
57.03423	5.7
57.07077	18.7
67.05508	35.4
69.07072	51.1
70.06590	8.0
70.07395	2.8
70.57902	4.7
71.04985	1.7
71.08637	11.7
79.05496	21.4
81.07063	40.0
82.07378	1.7
83.04969	4.2
83.08620	36.7
83.58842	1.6
85.06527	2.1
85.10172	6.0
88.07639	12.5
89.07933	2.2
91.05450	3.8
93.07050	30.4
95.08613	39.2
97.06525	9.9
97.10176	21.6
99.08063	1.9
102.09211	3.3
103.03963	2.4
105.07001	3.3
106.08665	7.4
107.08570	19.3
109.10158	20.6
111.08065	6.7
111.11718	6.9
119.08550	2.1
121.10154	38.7
121.70431	1.4
123.11711	8.4
125.09645	4.0
125.13214	2.5
129.05470	1.7
131.07057	1.6
135.11699	29.3
137.13243	4.1
139.11143	4.4
143.10722	1.4
149.13260	14.6
151.14859	5.6
153.12706	2.7
157.10207	1.4
163.14830	5.9
165.16423	3.2
167.14267	1.9
177.16396	3.0
184.92474	1.5
200.85083	1.4
208.19661	1.5
247.24245	34.1
265.25253	38.9
283.26385	3.6
331.02145	1.6
339.28943	34.5
339.34595	6.6
344.51144	1.6
357.26157	4.1
357.30585	3.6
357.35562	100.0
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
54.89024	0.3
55.01875	1.6
55.02103	0.4
55.05498	0.5
57.03419	0.3
58.99577	0.5
67.05494	0.9
69.03420	0.9
69.07069	1.2
69.21468	1.3
69.21897	1.9
71.05008	0.6
73.02884	0.4
77.46459	0.3
79.05490	1.5
80.04996	0.4
81.03427	0.6
81.07054	5.1
83.04972	0.7
84.04489	0.4
84.08136	0.5
85.02886	0.4
85.06532	0.7
87.02674	0.4
91.05447	0.8
93.07035	1.5
94.04163	0.4
95.04969	0.4
95.08595	1.8
97.06505	1.0
98.21578	0.6
99.08080	0.9
104.01693	0.8
105.07018	0.8
107.04955	0.4
107.08585	1.4
108.03168	0.3
108.45471	0.3
109.06515	0.7
109.10210	1.6
111.08081	1.4
114.03768	0.6
115.05443	0.5
116.01710	1.6
117.06962	0.4
118.25900	0.3
119.08596	1.0
121.10152	1.5
122.03637	1.4
123.11731	0.8
125.05946	0.3
126.05496	0.4
131.08577	0.5
133.10117	0.7
135.11678	0.9
137.05986	22.0
137.09578	0.5
139.11134	0.6
142.03239	5.2
143.04906	1.3
144.06461	0.4
145.10037	0.3
147.04471	0.3
147.11714	0.5
149.09584	0.4
149.13268	0.4
151.03923	2.9
155.10680	0.4
158.02733	4.6
163.11177	0.4
167.07092	0.3
170.02664	1.3
172.03984	0.5
175.07602	0.4
176.03787	2.6
177.16383	0.4
196.07970	0.4
204.06580	0.6
205.08769	0.4
224.07513	0.3
236.08295	0.3
241.06427	3.2
259.07489	1.0
263.80399	0.4
274.11166	1.2
303.23135	0.6
325.15970	0.4
327.12247	2.8
339.25259	0.5
357.13785	5.6
357.18823	100.0
358.19247	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	357.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13264	1.1
56.05024	1.8
56.96562	6.8
57.03421	1.1
61.02913	1.5
64.90636	1.0
69.03430	6.3
69.07104	1.0
69.78205	2.3
69.78619	4.9
70.06593	3.0
71.04992	1.8
78.24820	1.0
81.03419	3.1
84.08151	9.0
85.02910	10.0
87.04475	1.7
90.05550	1.4
91.05446	7.9
93.68244	1.2
97.02890	5.0
98.21405	1.5
98.97591	7.8
99.04451	1.7
109.02882	2.9
110.06015	1.6
110.07191	1.4
110.59747	1.3
110.97552	1.3
112.07612	15.5
115.02426	2.4
115.04017	1.2
116.05593	2.1
116.98618	3.3
117.04000	7.8
119.04945	14.1
121.06542	3.1
122.05996	1.3
127.03944	3.2
128.98660	2.7
130.08635	4.3
131.00191	2.1
135.05006	3.8
136.06125	1.4
137.05945	1.4
140.07071	1.2
143.00079	1.3
144.05029	2.7
145.05022	2.0
147.03232	2.0
147.04420	46.3
148.04623	4.8
156.03328	49.0
158.06641	6.6
158.99564	1.7
161.84286	1.5
162.06175	2.7
166.05682	1.6
168.03320	32.5
170.06625	4.8
170.12804	1.6
171.05003	2.1
171.06435	1.2
174.04391	33.5
176.07596	2.3
177.00685	1.2
184.01323	1.5
186.04399	100.0
188.07687	32.5
192.05405	3.5
193.03278	1.5
197.07730	1.5
198.06085	9.2
204.05447	49.7
206.08720	14.7
209.05991	2.1
212.07687	4.7
213.05615	1.9
213.99332	1.3
215.49394	1.1
216.07234	5.7
219.01799	3.5
223.09109	1.5
224.07686	18.1
228.05432	48.9
230.08826	2.3
237.02911	2.9
238.09264	4.5
241.10370	9.5
242.08781	10.0
246.06171	23.7
246.08357	12.1
251.08813	6.1
253.13919	4.7
259.11386	7.9
265.13986	8.4
267.06476	2.7
268.10382	1.4
269.09839	4.4
276.06509	1.7
279.10159	20.5
285.12936	1.3
297.11337	42.4
299.14362	7.2
309.12988	21.2
315.12448	1.2
339.14108	14.7
350.74088	1.2
357.14999	33.8
357.18756	7.3
358.15060	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	357.118
Annotation	Unknow
Peak:m/z	Relative Intensity
63.56593	0.3
65.03938	0.8
67.45691	0.4
70.21717	1.0
70.22087	0.7
73.92558	0.4
91.05483	12.0
110.23962	0.4
119.04943	25.5
131.23093	0.4
147.04410	100.0
148.04713	0.6
174.08430	0.4
177.05428	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05719	0.5
57.71609	0.5
63.93868	0.5
65.03933	1.5
69.03430	0.6
69.22369	4.7
70.06580	1.4
71.28699	0.5
72.08167	0.7
75.66068	0.5
81.03447	0.5
84.04514	0.8
84.08147	0.9
85.02903	0.6
86.09712	1.1
91.05486	12.9
93.07086	0.6
95.04971	0.6
97.02902	0.8
111.69978	0.5
114.06695	0.6
115.14867	0.5
116.07107	0.7
119.04950	28.8
120.08066	0.6
123.05556	1.1
127.03979	0.6
137.05962	1.6
145.02876	1.1
147.04419	100.0
148.04720	1.1
165.05534	0.8
167.07088	0.7
177.05452	2.3
179.03419	1.7
246.39417	0.5
288.11838	0.6
291.81516	0.5
304.11877	0.5
357.11243	0.9
357.15213	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
57.03443	0.7
65.03947	1.4
67.05501	2.7
69.03436	1.4
69.07103	0.6
69.81673	1.2
69.82062	1.2
70.06611	1.4
73.02922	0.5
79.05512	1.5
81.03446	0.8
81.07046	2.5
85.02924	0.9
85.06542	0.7
86.09729	0.7
91.05489	13.9
93.07053	1.8
94.04209	1.2
95.04964	0.7
95.08630	1.9
97.06540	0.8
99.04456	0.7
99.08102	0.9
105.07025	0.9
107.04945	1.2
107.08611	0.6
109.02873	0.9
109.10184	1.7
111.08079	1.8
115.05456	1.2
117.07014	1.7
119.04950	25.6
119.08567	0.9
121.10158	0.8
122.03639	4.9
123.04424	0.7
125.05986	0.5
125.09617	0.9
127.04000	0.7
129.05432	1.3
129.06953	0.7
133.10138	0.6
136.44757	0.5
136.72505	0.5
137.05984	81.3
143.04945	4.8
145.06587	0.6
145.10138	0.6
147.04417	100.0
148.04747	1.0
151.03915	16.8
151.05022	1.7
151.11185	0.7
161.06020	0.9
165.05453	1.1
167.07082	1.1
170.27055	0.6
171.84138	0.5
175.07558	1.9
177.05402	0.7
177.09203	0.6
195.06430	0.7
195.09969	1.6
203.07048	2.3
205.08632	1.9
267.10062	0.5
300.85623	0.6
303.23007	0.5
307.09641	0.7
321.11029	0.8
321.24353	0.8
327.12289	11.6
339.12204	1.1
357.13269	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	357.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
55.05495	1.0
57.03425	0.9
59.05004	0.3
65.03933	1.4
67.05492	1.4
69.03426	1.3
69.07058	1.2
70.06596	0.8
70.93449	0.3
71.04995	0.7
71.53769	0.4
79.05493	1.1
79.52911	0.3
81.03416	0.5
81.07068	2.2
83.08648	0.5
84.04553	0.3
85.02910	1.7
85.06536	1.0
91.05486	14.7
93.07061	1.8
94.06591	0.7
95.04990	0.7
95.06916	0.4
95.08612	2.7
97.02901	0.4
97.06541	0.6
97.10177	0.4
99.04436	0.4
99.08091	1.0
105.07041	1.1
107.04964	1.6
107.07979	0.3
107.08598	2.2
109.02829	0.4
109.06483	0.6
109.10153	1.3
111.08092	0.4
117.07043	0.3
117.09121	0.9
118.09489	0.5
118.76676	0.3
119.04950	28.8
119.08598	0.8
121.10136	3.2
123.11727	0.8
125.09641	0.4
127.03944	0.5
129.05453	0.3
131.08632	0.4
133.10132	0.9
135.11716	0.9
137.05978	1.3
137.07008	0.3
137.09625	0.5
143.08574	0.3
145.10165	0.6
147.04419	100.0
148.04765	0.9
148.07558	0.5
148.49261	0.4
149.07951	0.5
149.13293	0.5
163.14932	0.3
165.06897	0.4
167.07034	0.7
175.07483	0.3
175.14838	0.6
177.05484	0.9
177.16386	4.0
178.11510	0.8
179.10684	0.4
180.83519	0.3
185.03024	0.4
188.15517	0.3
193.00267	0.3
195.06209	0.4
248.71022	0.3
297.11084	0.3
313.12512	0.9
321.88278	0.3
327.12424	0.4
355.90250	0.3
357.11420	5.3
357.19125	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	50.5
56.96561	10.5
57.03419	9.3
67.05502	80.1
69.03423	11.9
69.07065	61.3
69.99950	14.9
70.00338	22.0
70.06572	9.2
71.05000	9.8
79.05493	44.2
81.07064	100.0
83.04987	17.2
83.08614	23.7
91.05492	32.6
93.07039	45.0
95.04965	14.4
95.08609	91.5
97.06520	20.7
97.10143	18.5
105.07032	37.1
107.08580	38.1
109.06511	12.4
109.10165	34.8
111.08083	13.2
117.06973	11.2
119.08589	57.8
120.77919	8.8
121.10152	29.8
123.08062	14.9
127.05950	10.1
131.08572	18.9
133.10104	30.2
135.11702	11.9
145.10150	20.1
147.11708	20.9
161.13264	14.3
173.13242	20.2
179.62614	8.6
187.14774	12.3
204.03880	8.6
209.15314	25.2
223.16901	16.5
285.22128	11.7
303.23196	56.3
315.16232	18.6
333.17346	27.3
356.34485	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.01854	2.1
55.05261	2.3
55.05511	21.1
56.05025	2.0
57.03405	2.0
57.07061	3.3
57.70136	1.8
67.05508	44.8
69.03412	2.6
69.07074	47.4
70.06590	10.7
71.04996	79.7
71.11619	2.9
71.11930	2.0
72.08145	7.0
73.06553	4.2
77.24561	2.1
79.05496	29.6
81.03413	2.2
81.06586	3.7
81.07059	72.4
83.04971	4.0
83.08610	8.2
84.43617	2.0
85.06535	8.2
85.27977	1.7
88.07637	13.3
91.05473	20.3
93.07056	34.5
95.04974	12.9
95.08608	32.9
97.06533	11.3
97.10146	2.5
98.09694	3.0
102.09203	2.6
105.07039	26.0
106.08657	4.4
107.04955	4.2
107.08605	17.2
109.06517	5.7
109.10165	8.8
111.08055	5.0
113.09654	11.9
117.07012	8.5
119.08585	20.3
121.06487	4.5
121.10149	14.5
123.08080	8.2
123.11688	3.5
125.09637	2.4
126.34929	1.8
129.06956	2.3
131.08575	14.9
133.10130	19.2
135.11722	16.0
137.09657	3.8
145.10130	10.9
147.11703	12.7
149.09619	5.1
149.13275	8.1
151.11176	5.4
157.10156	3.1
159.11713	19.2
161.13295	5.5
163.11189	13.1
164.58768	1.8
165.12770	2.9
167.75389	1.8
173.13264	6.3
175.11163	2.4
177.12772	17.0
193.12233	2.3
195.13846	2.6
207.13896	2.0
209.15353	6.7
227.16452	5.9
239.18030	3.3
241.17938	9.2
247.20520	3.4
257.18991	6.5
275.20050	34.3
279.89835	2.2
289.21628	6.7
307.22678	6.8
311.29456	2.7
321.24353	2.2
338.34210	4.8
339.20514	1.9
356.35233	100.0
364.34293	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.8
55.01867	4.9
57.03430	3.3
59.04995	2.0
61.02917	4.4
67.05497	5.5
69.03432	14.6
69.07080	1.6
71.04979	5.4
71.53355	1.6
72.08131	2.8
73.02911	6.0
79.05466	3.4
81.03415	4.8
81.07047	4.8
83.04967	4.6
84.05302	1.6
84.08141	1.9
85.02436	2.4
85.02910	37.8
86.09678	1.9
87.04519	1.4
90.04276	1.9
91.05475	4.7
91.85320	1.3
93.07018	4.2
94.06573	100.0
95.04958	3.1
95.08596	3.8
96.05315	1.8
96.08961	2.3
97.02882	8.7
101.02354	5.9
103.03934	2.7
105.03403	3.4
105.07020	2.2
106.06543	5.5
107.04966	2.7
107.08567	3.9
109.02877	6.5
109.06474	1.9
109.10142	5.4
110.10492	2.1
117.03390	7.0
118.03704	7.6
118.06564	3.5
119.08578	2.7
120.04469	8.2
120.05217	1.6
120.08099	2.5
120.08916	2.4
122.10451	1.7
127.03912	9.0
130.06540	39.9
133.10126	2.2
134.03589	1.9
136.07544	3.3
136.12038	1.4
137.05989	4.8
137.09644	8.7
138.06294	2.7
138.09975	6.2
140.62505	1.5
141.09099	2.0
143.34618	1.5
144.08086	3.6
145.02838	17.0
145.04961	3.6
146.03201	17.6
147.04402	4.7
148.04752	4.1
148.07578	77.1
149.05928	3.5
150.06320	2.9
150.25963	1.5
155.31808	1.6
158.05994	8.4
160.07533	3.1
172.07593	5.9
176.07079	49.9
176.15141	1.8
177.05490	23.5
178.04324	2.6
178.05818	37.0
186.05618	2.5
188.07028	2.8
193.04970	4.6
194.05527	7.0
194.08133	75.3
194.16159	4.7
196.07579	1.9
200.07053	3.0
210.09157	2.0
212.07149	2.3
218.08147	3.6
226.08658	4.1
236.06985	1.5
236.09216	2.8
238.08789	2.8
254.08067	2.3
256.09799	2.3
267.06659	1.4
269.17450	1.5
272.09171	4.4
320.11319	2.6
338.12299	2.8
338.20258	1.7
356.21619	2.8
357.15448	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	355.2844
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03946	1.9
55.05272	2.2
55.05517	36.2
55.28609	1.5
57.03445	9.7
57.07078	12.4
60.46179	1.6
65.03922	2.1
67.05510	91.3
69.07074	45.1
70.06594	3.4
71.04990	4.6
71.08614	5.7
72.84536	1.4
75.04484	1.6
75.27272	1.7
76.99017	1.4
79.05494	28.1
81.07062	100.0
83.04964	4.5
83.08151	1.9
83.08624	32.6
85.06537	4.3
85.10177	3.2
88.07633	3.8
89.07926	1.4
91.05478	20.0
93.07050	32.1
95.04970	2.0
95.08613	91.4
96.08909	1.4
97.06544	8.7
97.10179	19.4
99.08092	3.4
105.07047	14.1
106.08643	1.5
107.08596	22.0
109.06509	1.8
109.10155	43.9
111.08083	6.5
111.11707	5.9
113.09607	2.4
119.08601	17.2
119.09390	2.5
120.55140	1.6
121.10152	25.5
123.08097	1.7
123.11706	23.1
125.13263	1.6
127.11136	2.0
133.10123	16.8
135.11702	16.6
137.09615	3.1
137.13237	8.9
141.12715	2.7
144.27339	1.5
147.11708	15.0
147.86711	1.4
149.13248	14.2
151.11116	2.8
151.14842	7.8
155.14351	2.1
161.13275	16.0
162.94377	1.4
163.14836	16.3
165.12726	3.5
165.16408	7.4
167.14232	2.1
175.14879	13.8
177.16371	3.4
179.14368	2.7
179.17903	4.3
181.15811	2.6
189.16409	6.7
203.17937	2.8
205.45222	1.5
207.17476	1.9
217.19479	2.2
245.22658	51.4
263.23721	61.6
281.24664	1.9
324.39194	1.6
333.17450	1.6
337.10202	1.5
337.27396	38.3
355.24442	2.4
355.28391	13.0
355.33929	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	355.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91511	2.3
51.44182	2.4
55.05513	32.9
57.03437	6.6
57.07064	11.5
59.60344	2.4
67.05514	75.5
67.05878	4.8
69.06733	3.3
69.07075	38.3
69.68526	2.5
71.08653	5.2
79.05501	29.1
81.06586	5.1
81.07061	100.0
83.04980	12.0
83.08633	22.1
85.06546	5.9
85.10168	3.6
91.05480	24.4
93.07051	37.0
95.04990	3.0
95.08612	74.8
95.60931	2.6
97.06533	8.6
97.10162	15.3
105.07047	17.5
107.08606	24.9
109.06501	4.6
109.10166	49.0
111.11698	4.5
117.07024	4.1
119.08605	27.7
121.10159	27.9
123.08053	4.2
123.11732	21.0
129.06990	4.0
131.08566	12.1
133.10159	19.2
135.08128	3.7
135.11707	16.6
137.13263	7.0
141.12770	4.5
143.08565	9.4
145.10133	9.8
147.11671	14.5
149.13245	16.9
151.14810	8.5
155.08617	4.1
157.10136	7.3
159.08080	4.8
159.11656	9.6
161.13295	19.9
163.14835	9.3
165.16446	5.5
169.10188	5.9
171.11684	5.0
173.13344	3.8
175.14822	14.8
177.12830	4.3
179.14333	2.8
179.17902	8.8
183.11708	5.7
185.13165	3.6
187.14876	5.7
189.16331	7.7
195.11623	2.9
197.13316	5.4
198.42667	3.3
199.14711	3.5
201.12672	2.8
203.17970	4.1
207.13896	3.1
213.12852	2.7
213.16342	3.7
225.16272	3.0
229.19646	3.6
231.21233	3.7
239.18126	4.8
245.22664	45.7
263.23737	48.9
309.25629	5.4
337.27899	25.9
355.28619	43.8
371.49506	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	355.2842
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
54.39576	1.9
55.01870	2.7
55.05515	33.1
57.03429	7.7
57.07072	13.4
59.50043	1.8
60.74311	1.9
63.48616	1.9
67.05508	79.9
69.07075	41.0
69.27068	2.7
69.27396	22.0
71.08614	8.9
79.05495	26.0
81.07062	100.0
83.04974	4.3
83.08623	32.7
85.06528	4.2
85.10174	3.1
91.05470	17.5
93.07050	32.7
95.04997	2.8
95.08610	88.8
97.06526	13.2
97.10190	17.0
99.08081	5.8
105.07038	12.0
107.08604	21.8
109.10165	43.8
111.08085	3.2
111.11699	6.3
119.08566	12.8
121.10156	26.3
123.11716	20.8
128.11014	2.1
129.05432	2.9
133.10123	16.0
135.11693	13.8
137.13223	8.5
141.12680	2.6
146.65543	2.0
147.11665	13.8
149.13304	11.8
151.11221	2.5
151.14816	5.8
155.14267	2.3
161.13301	16.0
163.14890	10.3
164.06972	2.3
165.16406	6.6
175.14796	10.3
177.16397	3.1
179.18011	4.8
181.15756	2.4
183.74794	2.0
185.15475	2.5
189.16362	3.5
224.54230	2.3
237.95966	2.4
245.22670	51.0
263.23718	57.4
337.27380	41.5
346.04932	2.1
355.28339	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	355.1979
Annotation	Ala-Ala-Pro-Pro
Peak:m/z	Relative Intensity
55.01859	0.6
55.05513	0.4
56.05041	0.3
56.96568	0.7
57.03432	0.6
58.06598	0.7
68.05026	1.4
69.03433	1.2
70.06596	2.7
70.40672	0.3
71.04977	0.7
71.46102	0.3
73.02902	0.3
73.04753	0.8
81.03424	0.9
82.06573	0.5
84.04507	0.8
84.08163	1.5
85.02912	2.7
87.04467	0.8
88.07599	0.4
91.05437	0.6
94.06573	0.6
95.04955	0.4
95.06089	1.0
96.04496	1.3
97.02896	0.8
97.07678	0.6
97.09337	0.3
98.06060	3.3
98.97591	1.3
99.09204	0.6
100.07610	3.1
107.04940	0.4
109.07640	1.2
110.06036	2.8
112.07614	0.7
113.07135	0.5
115.03937	4.2
116.98643	0.3
117.03400	0.9
119.03574	0.4
119.04951	0.9
120.08120	0.5
121.07654	0.8
122.06064	0.8
123.09171	0.4
124.07652	2.7
124.08591	2.3
125.07115	0.4
126.05504	0.9
127.03901	0.3
127.12328	0.7
128.07092	6.4
128.98596	0.4
131.00156	0.4
131.04918	0.6
135.09184	2.5
136.06190	9.0
136.07571	1.9
137.06053	0.6
137.07079	4.1
138.05519	6.5
139.03979	0.5
139.08673	0.4
140.07072	1.0
145.02820	1.5
145.04939	0.4
147.04427	3.7
148.04820	0.3
149.07083	0.7
150.11514	1.1
151.08675	0.9
152.09509	0.4
153.10234	1.2
154.05040	3.4
154.08652	0.5
155.08150	0.9
156.06537	0.4
163.08702	1.0
164.07031	0.5
165.10257	3.3
167.10507	0.3
169.09726	1.8
170.08125	3.7
175.05080	1.3
177.05423	1.1
177.09813	0.3
181.09740	8.2
182.08142	0.9
184.09724	0.4
191.08215	0.9
193.09749	1.1
195.11316	5.6
197.12828	4.1
203.04413	0.3
206.12881	3.4
208.10901	0.8
209.09196	3.1
213.12352	13.0
219.01825	0.9
220.11784	0.7
221.05540	1.7
223.10806	1.5
234.15942	0.4
236.10298	1.1
237.02766	0.4
239.12672	2.8
241.11897	1.0
248.13979	0.6
258.14566	0.7
262.15564	1.4
266.15048	7.7
280.16574	1.2
298.17618	8.0
305.16135	1.2
310.60617	0.3
323.17157	21.4
324.17337	0.3
337.10526	0.6
337.14575	0.5
337.18637	2.7
355.19775	100.0
356.20074	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.01878	3.4
57.03453	3.1
59.05003	0.8
61.02934	0.7
69.03433	22.2
70.11241	2.1
71.01350	1.6
71.05000	8.4
73.02931	1.4
73.04764	0.7
75.33857	0.7
77.14874	0.5
81.03425	28.8
84.39657	0.6
85.02908	1.0
87.04454	1.2
89.03905	1.3
95.04945	0.7
97.02898	0.8
98.97598	0.8
99.04462	9.9
100.39800	0.6
104.05022	1.1
117.03376	2.7
117.05499	3.1
130.02911	1.5
131.06053	0.7
133.07597	1.3
134.04720	0.7
136.07509	0.7
136.40546	0.6
137.05933	0.7
145.02881	4.7
145.07581	0.8
147.04480	1.2
147.05510	5.2
148.03917	2.1
148.06274	0.8
149.07146	1.4
157.03952	3.1
159.05457	1.6
162.47438	0.7
164.07066	1.8
173.07057	0.9
175.05048	3.9
177.05434	10.1
177.06657	8.1
182.08144	1.6
185.07118	0.8
193.04871	4.2
201.06384	0.6
203.04538	21.2
204.07683	0.6
205.06104	6.3
221.05588	100.0
263.06613	1.2
287.57104	0.7
299.11655	0.7
301.08170	0.9
319.09326	11.4
337.10318	45.0
338.13638	0.9
355.06943	1.6
355.11346	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	355.1023
Annotation	Scopolin
Peak:m/z	Relative Intensity
56.05006	0.5
58.54539	0.3
67.01871	0.4
68.99776	0.5
69.03423	0.4
69.09492	0.3
70.19711	1.0
81.07040	0.5
85.02895	1.0
91.05464	1.1
93.07012	0.4
93.36263	0.3
95.04982	0.4
98.06052	0.5
105.03373	0.8
107.04943	0.6
116.08276	0.5
117.03390	0.7
117.05576	0.3
119.04369	0.3
119.04948	2.7
123.04425	0.9
125.06004	0.5
127.03951	0.4
128.46121	0.3
131.04965	0.4
133.02846	0.4
133.06442	0.4
137.05980	8.6
137.82739	0.3
145.02838	2.0
147.04419	11.3
149.05994	0.6
150.86627	0.4
151.03915	0.3
151.68494	0.4
153.01796	1.1
161.06001	0.6
165.05455	0.7
168.73471	0.3
169.04950	0.4
175.03978	0.4
177.05469	3.4
179.07048	2.3
189.05447	1.1
190.05275	0.4
193.04967	100.0
194.05280	0.9
201.05475	1.0
210.26608	0.3
217.04906	1.2
254.20682	0.3
263.05426	3.0
305.06479	0.4
323.07559	1.2
355.17496	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01873	0.9
55.05516	2.7
56.05039	0.7
57.07069	0.6
59.04982	0.7
67.05511	4.8
69.03428	4.1
69.07058	2.3
69.72966	3.0
70.06590	0.8
71.04994	0.6
74.06069	0.5
79.05492	2.1
81.03415	1.4
81.07058	4.4
83.04994	5.1
85.02883	2.1
85.06496	0.8
86.09715	0.9
87.04430	0.6
89.03924	8.4
91.05472	3.3
93.07052	3.4
94.06542	1.6
95.04982	5.5
95.08621	6.0
97.02893	2.1
97.06565	0.7
99.04452	1.1
99.08095	0.6
105.07017	1.8
106.04148	1.1
107.04942	1.0
107.08614	2.5
109.06526	1.7
109.10164	6.1
111.08072	1.0
113.05992	0.7
116.08215	1.8
117.03390	23.3
117.06979	1.0
119.04926	4.0
119.08593	2.3
121.06508	1.2
121.10149	1.5
123.04477	0.7
123.08089	1.3
123.11710	0.6
125.05991	0.9
125.09601	0.7
127.03931	1.2
130.06517	0.6
131.04915	0.8
133.06514	1.1
133.10144	1.6
134.03612	2.1
135.04381	1.3
135.08051	1.6
135.11748	2.4
137.05995	9.9
137.09627	12.5
139.11214	0.6
145.02853	57.0
145.10100	0.7
147.04425	14.0
147.08124	0.5
148.07573	1.5
149.05995	9.1
149.09595	0.9
155.10620	0.8
158.06145	0.6
161.05876	0.6
162.03113	0.6
163.03957	1.3
163.07455	0.6
165.05469	0.8
165.09122	1.0
175.14851	1.1
176.07068	0.9
177.05476	100.0
178.05852	0.8
179.07045	2.1
179.10667	2.4
186.05476	0.7
187.03775	0.6
189.05501	1.4
193.04968	24.0
193.15918	4.2
194.08195	0.7
201.05376	2.7
201.09175	0.9
209.15404	0.5
217.04961	0.6
235.16895	2.0
263.05453	3.0
270.11490	0.5
310.22238	0.6
319.18820	0.7
337.20132	0.7
355.10361	2.0
355.17401	1.3
355.21262	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3367
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
54.35093	1.2
55.05519	12.3
57.05803	2.6
57.07082	19.6
58.02969	3.2
58.06352	1.5
58.06606	25.3
60.04537	6.7
62.17205	1.2
67.05507	12.1
69.06738	1.8
69.07073	22.9
69.22248	7.2
69.22675	5.4
70.02947	3.3
70.06601	11.6
71.04987	2.9
71.08641	12.8
72.04507	2.9
74.06057	2.6
79.05484	2.4
81.07062	15.3
82.06573	2.2
83.04974	1.4
83.08614	13.5
84.08151	6.6
85.10175	4.0
86.06065	6.6
86.96658	1.4
87.06866	2.4
88.07622	2.1
93.07030	3.1
94.06518	1.5
95.08614	19.0
97.06521	3.4
97.10157	11.3
98.20727	2.9
105.28187	1.3
107.08604	2.4
109.06541	1.5
109.10151	10.9
111.11707	6.2
121.10145	1.6
123.11714	4.5
125.13203	1.4
137.13293	2.1
208.08089	1.4
268.30038	3.2
294.31500	2.8
301.29044	1.4
306.31506	3.4
307.30017	4.1
308.33096	4.8
326.34167	5.4
336.32611	11.3
354.33694	100.0
355.34100	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	355.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	1.0
69.03427	1.7
69.74542	0.4
71.04985	1.0
71.52003	0.5
71.52377	0.5
73.04749	1.1
79.05531	0.6
81.03412	1.6
82.06547	0.6
85.02896	1.4
89.03924	1.1
91.05796	1.9
95.03387	0.4
97.02907	0.8
98.97565	0.8
99.04472	0.7
108.08822	0.5
110.06036	3.0
117.03384	2.1
119.04961	0.7
121.02844	1.0
126.05546	0.8
127.03927	0.5
136.06194	8.2
136.07584	6.3
138.05516	1.0
139.03903	2.4
145.02858	5.9
147.04416	2.6
148.04839	0.5
149.05972	0.5
151.03773	0.6
152.07057	0.5
154.04991	0.5
163.03909	2.6
164.07088	12.5
177.01646	1.1
177.05484	10.4
182.08151	10.6
184.06071	0.9
185.04245	1.9
192.03949	13.8
193.04788	6.8
193.06476	0.6
203.04547	1.0
221.05690	4.2
266.15030	0.8
285.01013	1.4
298.17548	0.8
319.12692	0.6
323.17102	2.5
324.08264	2.3
325.09015	1.3
337.10330	1.6
355.10046	100.0
356.10394	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2639
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
50.57260	0.8
53.03954	0.9
55.01879	1.6
55.05519	5.5
62.06093	61.0
67.05513	7.7
69.03427	2.1
69.07074	5.5
69.17390	0.8
71.08639	9.6
79.05498	6.7
81.03404	2.1
81.07049	6.9
82.06575	0.9
83.04984	1.3
83.08617	2.3
89.32529	0.8
89.35355	0.8
91.05482	3.6
93.07055	5.1
95.04955	2.2
95.08617	4.2
96.34109	0.9
97.06552	1.3
97.10155	0.9
98.06059	1.3
99.08103	4.1
105.07045	2.8
107.04944	2.7
107.08605	4.8
109.06538	1.5
109.10114	1.9
111.62275	0.8
119.08535	1.9
119.78595	0.8
120.08894	1.0
120.36217	0.7
121.06538	2.4
124.11227	3.6
125.09624	1.1
131.08594	1.2
133.10106	0.9
135.08078	1.4
135.11652	1.0
137.05975	3.0
147.11723	1.0
151.11143	1.5
151.29320	0.8
155.70795	0.8
159.11742	1.3
166.04994	1.3
177.12749	2.6
182.15483	1.0
190.75664	0.9
194.11855	0.9
196.13347	7.3
202.07092	1.7
214.14476	5.1
238.18007	3.5
247.20537	1.1
254.17537	1.3
256.19229	1.4
275.20108	5.8
276.20306	1.9
276.23053	1.0
277.14572	1.3
293.21127	20.2
308.25876	2.3
318.24289	9.0
336.25333	100.0
337.23788	3.3
354.26331	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	354.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95112	25.8
57.07066	21.5
62.54004	21.8
67.05497	73.4
69.07086	34.3
71.04476	40.2
77.84621	21.2
81.07030	35.4
91.05547	38.9
95.08614	45.8
109.10174	36.3
110.10532	24.8
121.10142	33.3
133.10121	83.7
151.11224	82.3
170.99210	22.5
183.13873	38.1
206.97928	23.6
244.01750	23.7
322.20926	32.1
339.26367	27.2
351.40472	23.8
353.79422	33.4
354.40921	100.0
355.35876	24.4
358.40662	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	354.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.6
55.01861	2.6
57.03448	8.4
60.92855	1.8
69.03432	42.3
70.06596	4.4
71.04996	7.4
71.50407	2.4
72.08147	2.5
73.02917	1.9
73.31092	1.6
74.02431	1.8
81.03420	29.3
83.01354	4.2
84.08118	2.0
85.02910	57.4
86.09715	3.8
86.82459	2.1
87.00837	26.7
87.04454	3.4
91.05475	3.1
97.02894	61.8
97.03522	3.0
97.06512	2.0
99.04456	29.3
101.02401	1.9
105.01877	23.4
109.02898	9.7
109.06522	1.5
110.01108	1.8
121.10168	1.6
127.03925	100.0
128.07098	2.3
137.06013	2.3
145.04971	63.0
147.04381	3.0
167.07030	3.3
173.13353	1.9
192.10146	2.9
201.05467	3.1
203.96957	1.8
213.04248	1.7
231.05014	57.3
242.18347	1.7
249.06090	31.9
259.07642	1.7
312.32623	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	354.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.0
55.05506	5.2
57.03440	5.4
57.07084	12.1
69.03435	1.5
69.07071	2.0
69.54873	6.5
71.05003	2.2
73.02937	2.1
79.05499	1.9
80.08292	1.0
80.46956	0.9
81.07066	9.4
86.09678	1.1
87.04472	2.6
87.08112	100.0
89.02372	2.1
91.05461	2.1
93.07028	2.0
95.04951	1.3
95.08604	1.6
97.06499	1.2
99.08102	4.1
101.02377	4.7
105.07054	2.1
112.12642	1.0
115.03918	8.9
119.03419	1.3
129.01836	3.6
131.08456	1.3
131.10687	16.3
133.04990	1.2
143.03389	6.8
155.03459	1.3
157.01311	9.2
158.56720	1.1
161.04521	2.2
171.02907	2.4
189.03952	29.8
191.07114	1.5
201.05394	1.2
207.05019	16.0
219.06406	1.2
236.06874	1.1
251.09181	3.3
269.10236	2.2
287.11288	9.2
319.13803	7.0
354.14474	3.6
354.18933	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
55.01869	5.7
57.03442	3.6
61.02925	6.0
68.99781	3.4
69.03085	2.9
69.03433	37.1
69.25368	16.0
71.04986	4.0
73.02917	6.0
73.44327	1.6
81.03423	19.0
85.02911	100.0
87.00836	53.2
91.03952	2.0
94.23138	1.7
97.02905	34.9
99.04459	8.8
105.01875	80.0
109.02888	28.1
117.01878	2.0
120.90634	1.6
125.91393	1.5
126.38573	1.5
127.03922	72.4
129.01831	2.7
145.04968	36.5
159.02892	9.0
167.37457	1.7
189.03996	2.7
213.03992	3.4
231.05037	25.2
244.57562	1.7
246.29515	1.7
249.06058	7.9
340.56137	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	354.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81234	0.6
55.01872	2.5
55.05504	1.0
56.96569	0.5
57.03439	3.8
67.05505	2.9
67.16225	0.5
67.79933	0.5
68.00419	0.5
69.03427	1.9
69.07063	2.2
70.06590	0.7
71.04997	6.4
71.11133	1.1
73.02942	2.6
79.05500	0.9
81.03411	1.0
83.04984	0.9
83.08601	0.6
85.02912	4.7
85.06554	5.6
86.09712	0.7
91.05470	2.5
92.05858	0.7
93.07041	1.3
95.04980	4.8
97.02900	1.4
97.06533	2.2
99.04457	1.0
101.02386	17.4
109.02896	0.7
111.08071	2.9
113.06012	100.0
115.07593	4.7
119.04955	3.1
120.05318	0.8
121.02817	0.6
121.06523	1.4
125.05895	0.7
127.03912	1.4
129.09125	2.8
131.07050	33.7
139.07544	5.4
145.02823	1.9
145.04942	0.6
147.04425	11.6
147.05525	1.0
148.04762	4.7
157.08624	15.4
162.54512	0.6
174.05530	2.5
175.09662	10.1
177.05457	3.5
178.02597	0.9
192.06551	3.3
192.13834	0.6
193.04968	7.6
196.17084	0.9
222.12221	0.7
354.11911	1.8
365.05475	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67479	1.7
53.03945	2.2
55.05514	13.1
57.03423	6.8
57.07085	3.1
65.03949	2.2
67.05509	68.9
67.59158	1.9
67.72535	2.0
69.07067	9.3
69.87494	6.2
69.87896	3.5
71.04977	2.8
71.08613	1.9
77.85596	2.0
79.05493	38.8
81.07067	77.2
83.08619	5.5
91.05483	21.6
92.29357	2.0
93.07052	50.1
95.04972	2.1
95.08616	61.0
95.09232	3.3
97.06547	2.3
103.55746	1.8
105.07036	16.2
107.08601	33.3
109.10169	32.0
113.09622	2.1
117.07028	8.1
119.08602	12.5
119.35133	2.2
121.10154	34.2
123.11726	22.4
131.08592	17.1
133.10147	14.2
135.11697	26.5
137.13272	6.0
145.10158	16.4
147.11693	12.1
149.13246	19.1
159.11713	12.2
161.13235	10.5
163.14854	11.1
165.12796	2.6
173.13280	17.9
175.14861	3.9
177.16417	6.7
187.14828	8.6
201.16339	3.7
219.17592	2.1
233.22594	3.5
242.65918	1.9
243.21101	29.5
248.07431	1.9
258.25632	2.2
261.22165	100.0
288.28940	2.1
335.25739	9.2
353.26926	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	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07561	1.8
53.03938	4.4
55.05512	14.4
57.03434	3.5
57.07090	3.1
65.03928	3.2
67.05511	83.4
69.07068	13.3
71.02770	4.2
79.05495	46.7
81.07059	86.8
83.08622	5.9
85.06572	2.0
91.05494	17.1
93.07048	57.2
95.04987	2.0
95.08615	67.5
97.06531	3.5
97.10149	4.0
99.08083	2.2
105.07040	18.1
107.08598	34.3
109.10154	33.1
113.09595	2.7
117.07030	12.6
117.72919	1.6
119.08595	12.4
121.10150	38.2
123.11740	22.3
131.08578	20.4
133.10159	11.8
135.11697	32.4
137.13268	6.7
145.10132	14.2
147.11720	9.3
149.13251	19.2
159.11707	13.8
159.12990	2.0
161.13278	8.6
163.14857	9.4
163.15985	1.7
173.13289	14.2
175.14883	3.6
177.16379	4.5
187.14833	7.5
201.16377	2.1
233.22583	3.5
243.21089	26.2
261.22162	100.0
279.23447	4.5
335.25882	10.8
353.26898	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03937	3.2
55.01867	4.7
55.05513	33.7
57.03436	18.3
57.07067	6.4
64.65086	1.9
67.05508	71.9
68.79043	2.1
69.03409	2.5
69.06722	3.1
69.07068	35.2
70.66147	6.8
70.69077	2.0
71.04986	3.4
71.08634	48.2
79.05497	38.4
81.03400	2.8
81.07055	78.2
83.04965	6.4
83.08607	17.3
85.06553	5.3
91.05479	19.6
93.07044	43.6
95.04939	3.1
95.08607	56.2
97.06545	12.0
97.10184	16.6
99.08099	40.8
105.07028	17.2
107.08595	35.3
108.71495	2.3
109.06538	2.8
109.10161	31.8
111.08091	5.8
111.11720	2.5
113.09654	2.3
117.07006	6.7
119.08586	12.4
121.10152	14.8
121.95174	2.1
123.08053	2.5
123.11735	11.7
125.09636	13.1
131.08583	12.1
133.10121	7.0
135.08032	2.9
135.11705	22.6
137.09647	3.8
137.13226	6.4
142.65347	2.1
145.10120	8.2
147.11723	22.5
149.13240	11.7
151.14809	4.6
153.12764	9.5
159.11717	6.5
161.13271	6.3
163.11169	2.3
163.14857	11.4
165.12788	7.9
167.14279	3.8
173.11855	2.9
173.13278	7.4
177.12772	3.9
177.16356	2.7
181.15912	3.4
187.14844	3.5
189.11249	10.6
233.22630	2.4
243.21065	11.9
261.22113	32.0
279.23212	29.5
353.26883	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.04111	1.8
53.03957	1.9
55.05517	14.7
57.03439	5.1
57.07082	4.5
62.36153	1.9
62.38016	2.4
65.03962	2.7
67.05509	80.4
69.07076	14.1
69.80926	2.8
69.81346	7.4
79.05494	37.2
81.07063	92.0
83.08621	6.3
85.06543	3.0
87.81958	1.9
91.05486	17.0
93.07052	55.7
95.08614	70.4
97.06521	2.8
97.10152	2.8
105.07041	12.6
107.07902	2.0
107.08606	35.4
109.10169	36.0
109.44024	2.3
111.08101	3.3
117.07030	8.6
119.08585	13.0
121.10158	32.9
123.11743	20.4
130.71947	2.1
131.08569	20.2
133.10141	12.8
135.11707	26.3
137.13271	6.1
139.11147	2.0
145.10127	13.5
147.11755	9.9
149.13271	17.0
159.11697	17.2
161.13335	10.1
163.14842	11.7
173.13240	12.5
175.14806	2.1
177.16437	3.7
187.14861	9.0
233.22621	2.7
243.21095	29.2
261.22156	100.0
279.23093	8.0
335.25842	15.0
353.26868	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.60483	0.9
53.03936	2.1
55.05515	15.1
57.03433	5.8
57.07058	3.8
65.03940	3.2
67.05508	87.8
69.07069	13.6
69.34731	5.6
69.35155	1.9
71.04987	3.2
71.08637	1.1
75.04488	1.6
79.05498	39.6
81.07063	100.0
83.04967	1.6
83.08617	6.2
85.06543	3.2
91.04917	1.0
91.05481	20.7
93.07048	53.2
95.04984	2.4
95.08613	71.4
97.06535	3.3
97.10170	3.3
99.08099	2.5
103.35316	0.9
105.04488	1.1
105.07031	17.9
107.07872	2.0
107.08599	38.7
109.06563	1.2
109.10163	38.0
111.08035	2.2
111.11710	2.0
117.07011	10.4
119.08587	15.1
121.10154	30.2
121.11029	1.8
123.08068	1.4
123.11707	19.8
125.09644	1.2
131.08582	16.9
133.10133	11.4
135.11696	26.2
137.09610	2.0
137.13269	6.6
145.10120	13.7
147.11710	12.3
149.12186	1.8
149.13275	19.7
151.11230	1.7
151.14803	2.2
153.12755	1.7
159.11722	11.6
161.13260	10.4
163.14827	11.6
165.12692	1.7
173.13272	15.8
175.14864	3.0
177.12811	1.3
177.16434	4.5
179.14319	2.3
187.14841	10.2
189.16211	1.2
191.14319	1.4
201.16379	3.2
205.15852	1.1
215.17833	1.2
233.22662	4.0
243.21095	25.4
261.22159	88.0
263.23602	1.6
279.23187	3.9
326.13327	1.0
335.25742	15.1
346.08612	1.0
353.22443	1.9
353.26877	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28925	0.6
52.59879	0.6
53.03955	2.1
54.26516	0.6
55.01887	0.9
55.05261	1.2
55.05515	14.2
57.03441	5.6
57.07076	4.3
65.03951	2.5
67.05509	92.4
69.07077	11.6
71.05013	2.2
71.08646	1.1
75.04489	1.4
77.03940	1.2
79.05499	43.5
81.03447	0.6
81.07063	100.0
83.04994	1.3
83.08616	7.8
85.06549	2.6
85.10181	0.7
91.05485	18.1
93.07051	53.9
95.04994	2.4
95.08614	72.0
97.06539	3.5
97.10165	4.2
99.08115	2.0
105.07038	15.1
107.08604	36.9
109.06536	1.8
109.10166	36.2
111.08104	1.9
111.11775	0.9
113.09650	1.6
115.05495	0.6
117.07022	8.1
118.12392	0.6
119.06138	0.7
119.08584	12.4
120.27319	0.6
121.10153	31.7
123.08060	1.3
123.11727	20.8
125.09618	1.0
129.07066	0.9
131.08575	17.6
133.10135	11.4
135.11700	27.2
137.09651	2.1
137.13254	8.8
139.11194	1.3
145.10133	13.6
147.11696	10.6
147.12791	0.9
149.13264	20.2
151.11140	1.1
151.13828	0.6
151.14828	2.9
153.12709	1.5
159.11703	12.1
161.13263	8.4
163.11215	0.7
163.14844	12.7
163.16130	1.2
165.12733	1.4
171.11705	0.7
173.13272	13.3
173.14693	0.9
175.14853	4.7
177.12822	1.0
177.16399	5.9
179.14352	2.3
187.14818	9.7
189.16351	1.0
191.14337	1.8
193.15886	0.9
201.16399	2.5
205.15985	1.7
215.17987	1.3
217.19543	0.7
219.17358	0.9
223.17001	0.8
233.22725	3.9
237.18346	0.9
243.21100	24.5
261.22162	92.2
262.22504	1.5
263.23978	1.3
279.23288	5.5
317.24823	1.3
335.25839	15.4
353.26901	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03938	3.9
55.05518	12.2
57.03438	7.6
57.07076	5.0
65.03941	3.0
67.05507	86.9
69.07078	9.1
70.31516	3.5
71.04967	2.1
75.04492	2.3
79.05502	35.9
81.07061	100.0
83.08619	7.7
85.06535	3.9
91.05497	17.2
93.07047	47.5
95.08614	69.4
97.06546	2.9
97.10172	2.7
99.08118	3.0
105.07039	15.8
107.08604	29.8
109.10171	40.1
109.10927	2.3
116.25246	1.9
117.07043	7.1
119.08588	15.8
121.10149	25.1
121.77172	2.0
123.08095	1.7
123.11706	18.3
131.08583	17.6
133.10107	12.1
135.11696	26.5
137.13222	10.0
145.10141	12.9
147.11671	13.0
149.09544	2.4
149.13260	15.8
151.11206	3.0
151.14793	2.2
159.11710	16.7
161.12115	1.7
161.13272	10.7
163.11128	2.0
163.14825	12.6
173.13289	14.4
175.14859	4.1
176.08041	2.0
177.12704	1.7
177.16426	6.2
177.83978	1.8
179.14357	2.1
187.14781	8.2
191.14372	2.2
199.64105	1.8
201.16452	4.2
233.22659	4.6
243.21101	27.0
261.22147	91.8
279.23236	7.8
288.90826	1.8
335.25864	15.4
353.26865	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94623	1.7
53.03945	3.0
54.89680	1.5
55.05515	14.7
57.03428	5.3
57.07072	3.2
60.76820	1.7
65.03928	3.0
67.05508	83.6
69.07073	12.3
70.77648	3.3
70.77965	2.4
71.04961	2.2
71.08630	1.6
79.05063	3.0
79.05499	43.5
81.06590	4.0
81.07065	78.7
83.08610	7.0
85.06567	2.8
91.05493	20.8
92.03539	1.7
93.07050	60.7
95.08614	68.5
97.06518	2.8
97.10159	2.1
105.07040	16.3
107.08604	35.4
109.10172	32.5
117.07001	7.8
119.08569	10.0
121.10155	30.6
123.11718	19.1
131.08560	22.0
133.10133	16.1
135.11696	28.9
137.13240	7.6
145.10147	15.1
147.11688	9.6
149.13261	18.2
151.14815	2.1
153.83968	2.0
159.11670	13.0
161.13274	6.7
163.14827	14.4
173.13338	11.5
175.14868	2.8
177.16408	3.5
179.14308	2.2
187.14807	7.0
201.16425	2.1
233.18967	2.0
233.22623	3.1
243.21103	29.3
261.22144	100.0
279.23141	5.2
327.27322	1.9
335.25763	6.8
353.26865	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03955	1.9
55.05515	12.1
57.03447	3.2
57.07077	5.2
60.21803	1.7
67.05507	80.4
68.40415	1.8
69.07074	13.3
69.76401	6.3
69.76807	4.2
71.04995	2.5
71.08626	4.0
79.05498	49.3
81.07063	75.4
83.08613	8.4
85.06544	3.8
91.05488	27.1
93.07044	67.2
95.08608	60.6
97.06520	2.4
97.10165	2.0
97.86487	1.8
99.08099	5.9
102.45605	1.9
105.07037	17.2
107.08609	38.3
109.06548	2.6
109.10168	25.4
113.09612	3.6
116.15823	1.9
117.07028	9.1
119.08588	13.2
121.10148	34.0
123.11740	11.5
129.07042	2.2
131.08575	21.2
133.10127	10.6
135.11702	24.2
137.13283	8.7
145.10130	15.0
147.11667	11.9
149.13261	21.5
151.14861	2.9
153.12715	2.0
159.11726	12.5
160.51837	1.8
161.13219	13.4
163.14819	18.3
169.04373	2.4
173.13268	13.4
175.14827	5.0
177.16374	6.0
187.14804	11.9
201.16365	4.5
201.42485	2.1
205.15834	3.5
233.22612	6.2
243.21114	28.9
261.22156	100.0
279.23245	3.9
335.25861	7.2
353.26981	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	353.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76707	17.7
57.48216	14.8
59.43015	16.0
69.26460	39.0
69.26869	100.0
71.26492	17.1
95.08611	35.3
98.21532	35.8
107.08582	17.3
109.10176	20.4
111.08128	23.2
119.08575	41.4
121.10188	26.3
133.10136	27.7
137.05971	29.6
166.21986	18.7
177.16397	21.6
188.70010	19.6
189.16310	24.5
206.64096	16.4
226.65318	19.0
268.73853	15.4
353.24701	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	352.2847
Annotation	Melophlin R
Peak:m/z	Relative Intensity
55.05519	2.5
56.05052	2.0
57.03435	0.4
57.07078	0.4
58.06591	0.3
62.06074	0.4
63.50425	0.3
67.05517	2.3
69.07076	3.5
71.04976	0.3
74.06090	5.8
79.05496	3.1
79.64241	0.4
80.05019	0.8
81.07069	4.8
83.04986	0.3
83.08616	0.8
91.05486	1.6
93.07058	3.8
94.06555	0.4
94.07407	0.3
95.04986	0.5
95.08623	3.8
96.08884	0.3
97.10213	0.3
99.08100	0.3
100.07643	0.6
105.07045	2.7
107.08604	4.5
108.08147	0.4
108.08913	0.3
109.06543	0.7
109.10156	1.4
119.08593	3.5
121.10172	1.7
123.11726	0.4
126.09168	0.4
128.10710	0.4
131.08574	0.3
133.10156	2.7
135.08063	0.7
135.11679	1.3
137.05991	2.0
142.12288	2.0
145.10133	0.3
147.11690	1.7
149.13318	1.4
150.09146	0.3
152.10719	1.1
159.11778	0.4
161.13278	3.2
162.12801	0.7
163.07545	0.4
163.14821	0.9
164.10655	0.3
166.12297	0.6
175.14821	1.4
180.13860	0.6
189.16447	0.4
203.07036	0.9
205.19562	0.7
206.15416	10.2
208.16988	2.8
217.19566	1.1
222.14980	0.5
222.18536	4.5
224.20117	1.1
231.21167	0.5
260.20837	0.3
275.20081	0.5
282.20676	0.9
292.22626	1.6
320.25906	1.1
334.23535	0.3
334.27484	0.5
352.28503	100.0
353.13864	0.7
353.28882	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	353.0847
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
69.03431	4.0
71.02633	2.7
76.64544	1.6
84.96042	2.3
85.02898	8.3
85.99828	1.6
97.02902	3.1
98.97584	5.6
127.03919	5.4
131.00165	1.9
143.01920	6.1
145.05017	1.9
146.82137	1.8
155.01884	2.0
173.03032	1.9
183.05060	3.2
185.03004	2.5
189.66975	1.7
192.05589	3.2
202.13361	1.4
203.04047	3.4
245.05112	7.8
251.04460	3.9
269.05481	4.1
273.08560	2.4
275.05981	1.6
293.05588	5.8
311.06409	8.6
353.08490	100.0
354.08704	2.1
365.09393	2.4
370.77313	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	352.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65491	11.4
55.05518	15.2
57.07077	15.1
59.50650	9.2
64.54889	9.1
67.05501	42.6
69.07067	27.3
71.54209	9.1
74.83415	9.5
79.05495	22.4
81.03455	15.9
81.07067	45.8
85.20757	9.4
88.13583	8.8
91.05474	20.0
93.07053	29.6
93.54175	9.1
95.08611	35.4
97.06536	22.4
105.07041	29.6
107.04926	9.1
107.08587	15.4
119.08617	25.5
121.10139	16.1
133.10141	34.1
135.11670	11.2
147.11679	15.2
149.13289	12.0
159.11713	13.1
161.37508	11.1
173.13232	14.4
177.12785	10.4
179.14337	11.6
266.78098	9.5
275.20105	100.0
301.95859	10.4
307.22830	52.2
320.22870	17.0
332.98984	9.5
352.23090	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	352.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.7
57.03446	6.0
58.57401	3.9
59.21307	3.9
67.05495	15.2
69.03445	3.8
69.07083	4.1
71.04980	3.6
79.05482	12.2
81.03424	100.0
81.07070	18.1
83.08618	22.3
85.02882	4.5
91.05478	33.7
93.07070	9.1
95.04971	28.9
95.08605	7.3
105.07025	7.2
107.04936	4.3
107.08597	6.7
109.06508	4.6
109.10134	7.0
111.08070	7.8
119.08571	14.2
121.10110	5.9
129.06976	8.5
131.03413	3.7
131.08534	8.9
133.06485	4.6
133.10143	6.1
142.81868	3.4
144.69292	3.4
147.04430	3.9
147.11691	5.0
149.09639	5.1
157.10124	13.2
171.48119	3.9
175.11201	10.5
193.12262	87.0
206.15630	4.2
211.13365	5.3
232.19690	3.7
267.15912	62.2
285.17001	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	352.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.05523	6.2
57.03423	2.2
57.07070	5.1
59.04995	4.3
61.02941	1.5
67.05504	12.6
69.03430	6.5
69.07072	16.4
70.06577	1.4
70.81329	1.7
70.81703	2.4
71.04996	12.7
72.08165	3.2
73.02901	1.1
73.06551	2.1
79.05489	4.4
81.03420	3.8
81.07079	8.0
83.05001	1.8
83.08618	15.6
85.02906	21.2
85.06059	1.7
85.06542	15.1
86.09721	1.7
87.00823	6.2
91.05497	3.5
93.07037	4.6
95.04969	2.1
95.08621	6.9
96.83031	1.2
97.02882	7.6
97.06535	2.7
98.06034	1.3
99.04444	4.2
99.08141	2.8
101.06023	3.9
101.07670	1.1
105.01861	12.2
105.07030	1.4
106.88623	1.1
107.08588	4.1
109.02889	4.0
109.10165	41.0
111.08086	3.3
113.06004	17.1
117.03352	1.3
119.08562	1.3
120.08065	1.4
122.02686	1.3
124.03965	1.3
127.03926	13.4
127.11173	3.7
129.09132	29.1
133.10196	1.5
134.06747	1.3
135.04692	1.3
135.11707	8.5
137.09630	3.7
137.13312	1.4
145.02864	4.0
145.04980	8.0
149.13251	3.2
153.12744	3.2
155.10674	61.2
155.14334	1.5
159.11447	4.1
173.11749	100.0
177.05524	7.6
177.12796	3.3
189.03999	1.3
195.13826	5.3
213.14903	2.2
224.07771	1.1
231.05045	4.6
231.16008	1.3
249.06085	3.2
299.11258	1.3
334.24573	1.9
335.15158	2.6
352.17844	8.6
361.03552	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	2.5
53.03943	2.9
53.76297	2.8
55.01874	6.3
55.05510	11.0
57.03419	3.2
57.07076	9.1
58.99584	6.6
60.04519	3.4
67.05510	41.9
68.67040	2.4
69.03429	9.2
69.07069	27.9
70.06591	4.4
71.04611	3.4
71.04997	51.6
71.52973	2.7
72.08157	11.7
76.02235	8.8
77.80579	2.5
79.05491	28.7
81.03431	4.0
81.07060	43.1
83.04989	4.2
83.08617	15.1
85.02910	9.8
85.06554	24.5
86.99066	5.0
87.00841	3.7
88.03996	5.4
91.05488	12.7
93.07051	50.7
95.04980	4.4
95.08610	43.9
97.02893	4.1
97.06526	17.7
99.08113	2.7
105.00101	7.9
105.01858	5.1
105.07057	7.6
107.04960	3.1
107.08613	27.0
108.30954	3.2
109.06488	4.4
109.10158	37.0
111.08105	9.4
113.06001	8.8
113.09691	3.0
114.09154	4.9
117.07023	9.9
119.08556	3.8
120.08128	6.4
121.06495	5.4
121.10134	6.0
122.02747	13.6
123.11720	4.7
125.05996	4.9
127.03893	12.8
127.11168	3.8
129.09157	18.2
131.08572	14.4
133.10132	14.4
135.08069	6.7
135.11703	100.0
136.60225	2.4
137.09601	3.0
139.07550	5.1
141.12738	5.5
143.07082	3.8
145.02829	5.1
145.05037	6.7
147.11667	4.8
149.09692	2.9
149.13292	21.4
151.11223	5.3
153.09109	2.6
153.12779	29.6
155.07069	3.5
155.10695	36.0
159.11601	25.7
165.12877	2.9
169.15942	5.7
171.13808	8.4
173.11760	51.1
177.05515	6.2
177.12772	44.0
187.10823	3.3
195.13835	54.0
202.16014	2.9
204.60092	2.5
212.37758	2.4
213.14932	35.1
217.21138	2.7
231.15916	24.8
238.57935	3.0
245.12106	4.7
249.06233	3.7
263.13083	6.6
268.58160	3.2
271.13525	4.3
289.14774	3.4
317.14355	7.2
334.16904	4.2
335.15289	26.2
352.13821	3.6
352.17947	60.1
352.25836	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	352.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.5
54.39577	3.3
55.01861	5.6
55.05504	8.2
56.05029	3.6
57.03421	7.8
58.02844	3.5
61.02917	9.1
67.05505	23.7
69.03431	42.0
69.04080	3.3
69.07066	76.9
69.68017	16.9
71.04984	17.5
72.08140	14.2
73.02915	9.0
79.05496	5.6
79.16458	3.4
81.03423	18.8
81.07039	12.7
84.08130	5.3
85.02902	86.0
85.06548	6.6
86.09695	17.9
87.00835	31.7
91.05469	13.4
92.27682	3.3
93.07030	14.7
95.08051	5.8
95.08608	68.6
97.02892	53.8
97.06523	6.2
99.04469	19.7
105.01865	81.8
109.02886	19.5
109.10146	37.2
113.05995	5.4
116.96976	3.2
119.04984	4.0
119.08581	33.1
120.01181	7.9
120.08096	5.6
127.03915	77.7
129.09143	9.4
134.02330	3.4
136.06172	43.0
136.07561	7.8
137.09616	92.3
145.04945	61.6
147.04379	6.2
154.12984	3.9
155.07054	7.3
155.10669	100.0
155.14253	7.9
159.02867	10.1
165.08965	3.6
166.08662	7.9
172.14160	4.8
173.11742	74.3
187.10811	4.4
190.08571	5.3
193.09740	4.6
202.10890	5.4
220.10005	3.5
220.11945	48.4
231.04965	32.2
249.06067	34.3
253.11832	6.7
356.80487	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	351.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.4
54.07875	2.6
55.05510	22.5
57.07058	5.7
57.63899	3.1
67.05505	33.5
69.03409	7.1
69.06735	4.1
69.07075	61.5
71.04978	13.2
71.26830	4.2
73.36618	3.1
77.90664	2.6
79.05504	29.4
81.06598	3.6
81.07057	65.8
83.08614	18.0
91.05483	44.4
93.06491	5.2
93.07047	74.2
95.04984	22.4
95.08611	76.0
97.06527	14.6
97.10143	5.6
103.05460	4.2
105.07037	90.7
107.08598	64.5
109.06503	13.6
109.10157	53.4
111.08069	4.4
117.07039	16.9
119.08594	100.0
121.06512	13.4
121.10145	56.6
123.08049	5.4
123.11728	19.3
125.09585	4.6
128.06198	5.3
129.06979	10.5
130.07780	9.9
131.08569	49.9
133.06458	3.2
133.10136	54.9
135.08049	16.5
135.11703	18.7
137.09555	5.7
137.13255	10.8
141.06981	4.7
142.07750	15.4
143.08572	32.1
144.09314	4.8
145.09052	4.3
145.10127	53.6
146.07233	8.1
147.08031	4.8
147.11681	30.1
149.09625	19.0
149.13255	6.3
151.09589	2.9
155.08501	5.1
156.09375	13.8
157.10126	56.3
157.29330	3.0
159.11707	37.0
161.09630	55.1
161.13278	17.1
169.10110	9.5
170.10930	3.0
171.11722	28.1
173.13255	18.6
175.11143	10.0
175.14824	11.9
177.16388	27.6
179.08501	6.1
182.10881	4.4
183.11679	9.8
185.13223	19.0
186.13931	3.3
187.14838	11.0
189.16301	14.3
193.10165	3.2
194.10905	5.3
197.13266	10.9
199.14813	10.6
201.16370	5.2
203.17920	3.5
209.13287	20.0
211.14780	7.7
213.12827	5.0
213.16467	6.4
215.18013	5.1
223.14731	5.5
225.16338	4.2
227.14279	4.1
227.17975	3.3
241.19495	9.4
255.21098	8.2
259.20474	4.2
267.21213	5.2
269.19000	3.2
277.19110	4.2
333.25723	4.7
351.26810	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	351.2529
Annotation	Methyl 2beta,3beta-dihydroxy-8(17),13E-labdadien-15-oate
Peak:m/z	Relative Intensity
50.77824	1.7
53.03918	1.9
55.01865	5.1
55.05507	9.0
56.66138	2.0
57.03188	2.9
57.03442	27.7
57.07083	3.3
65.03930	2.5
65.32496	1.8
66.03915	1.7
67.05505	38.9
69.03430	3.5
69.07065	8.7
69.24998	16.5
69.61359	1.7
71.04993	4.4
72.60494	2.0
79.05490	20.9
81.07054	22.5
83.04991	2.1
83.08616	3.4
85.06542	24.1
91.05494	17.6
93.07056	21.0
95.04971	38.6
95.08611	17.5
99.08086	2.5
103.05463	2.1
105.07036	19.6
107.04961	3.0
107.08600	16.0
109.06518	37.2
109.10177	5.4
113.06009	100.0
117.07014	4.3
119.08584	12.7
121.06510	2.2
121.10170	10.8
123.08099	4.5
129.07022	2.6
131.08575	8.7
133.10123	7.7
135.08058	32.0
135.11690	6.3
143.08517	3.9
145.10123	9.8
147.11691	7.5
149.09630	4.0
149.13286	3.1
157.10176	5.1
159.11694	7.1
161.09706	3.0
161.13266	2.1
163.11198	2.4
173.13261	2.5
175.14795	2.7
187.14877	2.8
239.98523	2.1
241.19441	3.9
245.19016	16.4
249.22066	2.1
259.20630	9.6
273.22232	3.3
277.21637	4.8
301.21680	19.3
319.22687	46.2
319.26422	3.0
333.24420	3.0
351.25208	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	351.2531
Annotation	Ambliolide
Peak:m/z	Relative Intensity
53.03931	4.1
55.01858	4.1
55.05510	21.3
55.82085	1.1
57.03440	37.3
57.07055	3.2
63.15786	1.1
65.03934	2.0
65.45198	1.2
65.67788	1.2
67.01266	1.1
67.05505	49.1
69.03381	1.2
69.07076	21.8
69.71410	6.6
71.04987	2.1
79.05498	52.7
81.07061	64.3
83.04984	2.0
83.08614	16.6
85.06543	6.4
91.05487	38.6
93.07050	75.4
94.07393	1.6
95.04952	5.3
95.08611	46.1
97.06525	5.3
97.10144	4.5
98.20759	2.5
99.08088	5.2
105.07035	38.8
107.08603	40.6
108.98198	1.3
109.06517	3.7
109.10162	15.8
111.08086	3.8
117.06278	2.0
117.07019	12.1
119.08587	39.1
121.09331	2.5
121.10155	34.8
123.08048	2.9
123.11708	5.6
125.09653	2.8
129.07005	7.2
131.08575	18.6
133.10136	34.8
135.08070	1.5
135.11700	34.6
137.09621	2.9
137.13318	2.1
143.08601	6.4
145.10127	16.0
147.11694	32.5
149.09570	1.3
149.13274	21.1
150.29111	1.4
151.11218	2.2
157.10101	6.4
159.11725	16.0
161.13278	17.9
163.11182	4.2
163.14827	4.7
164.56030	1.3
165.12744	2.8
171.11671	10.3
173.13255	9.1
175.11102	1.6
175.14841	10.0
177.12787	3.3
181.12248	2.0
185.13245	8.3
187.14902	6.4
189.12772	2.0
195.13821	2.2
199.14809	4.1
201.16370	2.1
203.14433	1.6
203.17955	2.5
205.15868	4.5
213.16353	3.0
221.19019	2.7
223.87018	1.4
231.17503	2.0
231.21010	3.2
241.19545	17.3
259.20587	51.2
261.22064	1.8
277.18716	2.5
277.21649	23.1
333.24298	8.2
351.25290	100.0
352.25543	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11494	1.6
53.03946	4.3
55.01870	3.2
55.05517	20.0
57.03433	5.4
57.07076	4.1
67.05511	50.6
67.05874	2.5
69.07075	16.1
70.79669	4.6
71.04995	2.5
71.08633	8.3
79.05502	57.7
81.03407	1.9
81.07065	49.3
83.04970	3.3
83.08625	8.0
85.06526	2.9
91.04907	3.3
91.05484	59.5
93.07049	75.4
95.04955	5.2
95.08604	36.0
97.06509	4.4
97.10180	3.3
98.99274	1.5
99.08095	10.1
105.07042	56.5
107.04951	3.4
107.08607	44.3
109.06504	3.3
109.10150	15.4
111.08105	2.3
113.09635	2.4
117.07021	10.7
119.08590	58.9
121.10162	29.7
123.08106	1.7
123.11713	3.3
129.07019	11.4
130.07796	1.6
131.08577	20.0
133.09135	2.2
133.10136	43.0
135.08076	2.1
135.11691	32.5
137.09641	2.6
143.08563	9.8
145.10136	22.4
147.10512	2.6
147.11697	47.6
149.09706	2.2
149.13264	20.7
151.11159	5.3
157.10138	7.1
159.11711	15.6
161.13268	36.5
163.11177	3.7
163.14847	5.3
171.11700	13.5
173.13287	12.7
175.14832	21.1
177.12746	3.3
177.16438	2.2
179.14355	3.9
185.13284	16.0
187.14838	5.2
189.12726	3.5
199.14799	7.5
203.14386	2.7
213.16394	3.9
217.15990	2.2
217.19612	2.3
231.17522	2.0
231.21136	8.3
241.19536	32.6
259.20590	100.0
277.21725	13.0
287.24045	1.9
330.23090	1.8
333.24173	2.5
334.23749	2.6
351.25351	84.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
53.44194	1.5
54.12412	1.7
54.17620	1.3
55.05514	16.4
57.03423	6.8
57.07067	4.2
65.03943	1.8
67.05510	39.4
69.07082	14.5
69.50789	5.5
69.51229	7.4
71.04993	2.3
71.08627	2.2
71.40237	1.8
77.23037	1.6
79.05499	57.6
81.07064	48.1
83.08626	10.0
85.06514	2.8
90.53444	1.6
91.05486	42.8
93.07052	84.2
95.04964	4.7
95.08618	33.8
97.06511	2.3
97.10159	3.0
98.20751	3.0
99.08045	3.9
105.07037	51.9
107.08601	47.7
109.10161	11.1
109.67027	1.6
117.07032	9.9
119.08590	42.4
121.10159	39.5
123.08082	1.9
123.11718	4.1
126.45377	2.1
129.07002	7.2
131.07869	1.5
131.08597	16.3
133.10143	41.5
135.08109	2.1
135.11699	43.8
143.08543	6.0
145.10121	16.1
147.10504	2.9
147.11691	41.1
149.09613	2.6
149.13281	26.1
151.11096	2.2
157.10179	7.7
159.11696	14.4
161.13274	34.6
163.11214	4.8
163.14871	9.4
171.11720	11.4
173.13264	11.3
175.11137	2.7
175.14848	12.2
177.12805	2.2
177.16359	1.8
185.13292	11.1
187.14844	3.2
199.14882	8.3
201.16394	2.0
213.16353	5.6
214.65601	2.2
214.99637	1.6
215.17955	1.8
231.17555	2.6
231.21172	7.6
241.19511	34.0
259.20605	100.0
261.22333	2.4
277.21667	13.4
333.24127	10.7
351.25333	84.4
368.57980	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
55.05523	14.9
57.03421	7.1
57.07080	4.1
67.05515	40.8
69.07072	13.1
71.04996	4.2
72.31933	2.3
73.91997	2.4
78.14613	2.3
79.05505	67.2
81.07067	46.9
83.08622	8.4
85.06559	5.2
91.04974	4.3
91.05492	51.0
93.07055	80.8
95.05008	4.3
95.08615	33.2
97.06563	4.5
97.10222	5.3
99.08095	2.9
100.88900	2.6
100.95088	2.6
104.13230	2.9
105.07044	55.4
107.08610	45.2
107.79892	2.3
109.10185	17.6
117.07019	10.3
119.08599	40.8
121.10161	32.8
129.07007	7.4
131.08571	18.3
133.10139	41.3
135.11707	35.5
143.08578	9.4
145.10136	17.8
147.11726	41.3
149.09608	4.3
149.13271	26.1
157.10167	8.2
159.11708	18.1
161.13286	31.4
163.11192	3.3
163.14830	7.4
171.11717	15.9
173.13271	10.4
175.11211	3.8
175.14874	16.1
177.12712	3.2
185.13245	11.6
187.14952	4.2
189.12837	4.0
199.14899	5.3
203.14375	2.6
213.14601	2.4
213.16397	5.6
217.19518	4.1
231.21098	11.7
241.19527	38.6
259.20609	100.0
277.21631	16.9
289.51459	2.9
333.24283	10.9
351.25348	93.2
374.18161	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31464	1.4
53.03937	3.5
53.20288	1.4
55.01903	1.4
55.05512	14.1
57.03428	3.6
57.07066	4.2
59.30928	1.5
67.05193	2.7
67.05512	39.0
69.07068	13.0
69.83232	7.0
71.04981	2.7
75.04446	1.8
77.03918	1.6
77.22319	1.4
79.05499	49.8
81.06586	2.5
81.07061	40.5
83.08613	7.4
85.06525	2.6
86.01873	1.5
91.05483	53.4
93.07050	62.5
95.04953	3.7
95.08614	27.5
97.06507	3.2
97.10187	2.2
97.54203	1.5
97.92548	1.4
99.08071	3.7
105.07034	57.7
107.08598	36.5
109.06477	2.0
109.10177	9.4
111.08060	1.7
113.09650	2.3
117.04919	1.3
117.07034	13.0
119.08594	47.7
121.10146	25.8
123.08057	2.2
123.11713	3.3
127.80928	1.6
128.06189	1.9
129.06995	9.3
131.08588	17.5
133.10136	38.9
135.08015	3.1
135.11697	25.6
137.09644	1.8
143.08606	12.1
145.10147	16.2
147.11697	42.1
147.12813	3.2
149.09634	2.3
149.13263	16.6
151.27959	1.6
151.29172	1.5
157.10068	9.1
159.11697	17.0
161.13272	34.6
163.11157	2.5
163.14838	5.5
171.11729	15.9
173.13272	11.1
175.11218	2.7
175.14845	20.0
177.12743	2.0
185.13315	9.5
187.14912	3.1
189.12744	2.5
199.14825	6.3
213.16403	3.0
217.19511	4.3
231.17406	3.1
231.21074	8.4
241.19527	31.5
259.20593	100.0
276.72879	1.5
277.21652	3.5
351.21863	2.3
351.25302	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.8
53.48411	0.9
53.90677	0.9
55.01865	1.3
55.05266	1.4
55.05515	17.4
57.03444	10.5
57.07064	3.9
59.10294	0.8
65.03928	2.6
67.05508	45.6
69.06721	1.4
69.07074	19.5
69.32681	7.2
71.04984	3.0
71.08627	1.6
73.96964	0.9
75.04472	2.6
77.03933	1.6
79.05496	66.3
81.07060	53.6
83.04963	2.2
83.08614	7.2
85.06541	3.5
86.13139	0.9
90.31911	0.8
91.04899	1.5
91.05486	52.1
93.07048	85.9
94.19848	1.0
95.04971	3.9
95.08610	38.1
97.06516	3.4
97.10175	2.8
98.20724	1.7
99.08115	4.4
100.35138	0.9
103.05498	1.1
105.04517	1.1
105.07037	59.8
107.04935	1.3
107.08599	51.2
109.06518	2.8
109.10173	15.0
111.08085	1.2
113.09649	2.3
117.07020	12.7
119.08583	56.6
121.06498	1.6
121.10146	44.4
123.08091	1.7
123.11737	5.3
125.05942	0.9
128.06230	2.4
129.05482	1.1
129.07001	6.8
129.57533	0.9
131.08582	20.0
133.10135	47.9
135.08047	2.4
135.11696	47.3
137.06024	2.0
137.09602	2.1
138.47124	0.8
139.11162	1.0
143.08571	11.1
145.10141	23.1
147.11691	51.1
149.09598	4.1
149.13266	28.8
151.11172	0.8
157.10156	9.8
159.11710	19.3
161.09636	2.4
161.13258	41.3
163.11209	3.0
163.14835	10.0
165.12799	1.5
165.66594	1.2
171.11713	16.9
173.13255	10.7
175.11229	2.8
175.14836	21.4
177.12740	3.3
177.16415	1.3
185.13275	13.4
187.14841	3.7
189.12715	4.1
189.16426	1.8
191.14397	1.8
199.14828	9.4
201.16492	1.1
203.14316	2.6
207.13850	1.3
213.16458	4.6
215.18008	1.8
217.15962	1.5
217.19536	7.6
231.17500	3.2
231.21051	10.1
241.19516	37.7
259.20581	100.0
260.20911	2.0
277.18405	1.4
277.21637	17.1
309.20667	0.9
315.22897	1.1
333.24283	12.0
351.25311	99.4
360.30579	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.05514	11.6
57.03428	4.0
57.07082	2.1
61.52745	1.3
64.58180	1.2
67.05511	28.7
69.07074	12.5
70.03257	6.0
71.04996	1.4
75.04451	1.5
75.55256	1.2
79.05496	48.6
79.05964	2.5
81.07063	33.8
83.08630	6.0
85.06541	2.7
91.05487	47.5
92.69481	1.2
93.07050	72.7
95.04960	4.6
95.08613	24.8
97.06541	3.0
99.08085	2.7
103.05482	2.0
105.07035	50.3
107.08604	36.0
109.06553	1.4
109.10155	9.2
117.07030	13.1
119.08585	48.1
121.10149	26.3
123.08055	1.8
123.11736	2.8
128.06194	1.2
129.07059	7.8
131.08580	17.5
133.10141	42.5
135.08051	1.8
135.11700	28.1
143.08557	8.7
145.10110	20.4
147.11702	42.6
149.09686	2.1
149.13272	18.8
151.11145	1.5
157.10147	8.1
159.11713	17.5
161.13275	29.7
163.11176	2.3
163.14842	4.1
171.11722	8.9
173.13243	8.1
175.14864	11.8
177.12762	2.6
182.19826	1.4
185.13293	9.5
187.14893	3.0
189.12857	2.3
189.16391	2.8
199.14943	6.7
201.16344	1.8
213.16418	4.1
215.18030	2.3
224.62601	1.2
231.17535	2.1
231.21082	8.1
241.19528	31.6
259.20584	100.0
261.22180	2.1
277.21609	4.7
333.24237	1.9
351.25311	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	351.2143
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
50.26385	0.4
51.07500	0.4
55.01869	1.1
55.05501	1.3
65.86915	0.4
67.05503	2.3
68.11645	0.4
69.03421	0.6
69.07072	0.9
69.53867	1.3
69.54297	1.4
71.05002	0.5
71.29640	0.3
79.05500	2.6
81.03417	1.2
81.04201	0.4
81.07066	3.0
83.04955	0.5
83.08636	0.5
91.05496	3.3
93.07047	2.9
95.04969	0.9
95.08602	1.6
97.02882	0.7
97.06522	0.5
97.10146	0.4
105.07043	2.0
107.08591	1.7
109.02877	1.1
109.06525	0.6
109.10148	1.1
111.08101	0.7
117.07032	0.8
119.08572	1.3
121.10143	1.3
122.95412	0.4
127.03936	1.5
129.07018	0.6
131.08582	1.0
133.10112	1.1
135.11678	0.7
137.05963	0.5
143.08618	0.6
145.10146	0.9
147.04451	0.6
147.11696	1.4
157.10062	0.5
161.13234	0.5
169.33586	0.5
171.11668	1.2
197.10135	0.4
207.13777	0.8
235.22528	0.4
259.13232	0.6
271.13974	0.5
276.07654	0.5
277.21637	0.7
319.09567	0.5
333.20404	0.9
351.21414	100.0
352.21542	1.0
352.25275	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	4.6
57.59062	0.6
58.06595	2.5
60.05650	9.1
64.00927	0.6
67.05481	0.8
69.00888	1.5
70.06599	25.4
71.04977	1.0
71.52544	0.6
71.52921	1.1
74.06081	2.4
79.05490	2.0
81.07032	1.9
84.04512	1.3
85.02934	1.3
86.03560	14.4
91.05476	1.9
93.07059	1.0
97.06561	1.2
100.07601	1.2
105.07041	1.5
107.08583	0.8
108.08117	0.7
109.10214	1.0
113.07138	1.1
115.05483	0.8
117.05785	1.5
117.99880	0.7
119.04929	0.8
121.06551	0.6
129.06993	0.7
129.10248	25.7
130.06578	1.3
132.08101	8.8
135.08159	0.7
136.07521	0.8
147.04453	0.9
148.03966	0.7
150.05533	5.9
153.12737	2.2
155.06897	0.9
155.08159	12.5
157.12827	0.7
158.06056	0.9
176.07076	13.8
177.05502	1.5
189.10213	1.4
201.10352	1.2
204.08514	1.4
207.11264	2.1
213.10214	1.1
214.11176	1.0
214.12946	1.4
215.11836	3.0
217.09726	2.1
219.11360	2.1
227.07878	0.7
231.11270	1.2
232.10858	2.1
235.10818	1.8
242.10449	2.0
248.13966	100.0
249.12331	8.5
249.14461	1.0
255.64847	0.8
266.15015	39.3
291.10846	0.9
292.12915	2.0
297.12247	1.2
300.10934	0.7
302.10202	0.9
315.09882	1.3
315.13489	3.4
331.44125	0.8
333.10815	1.4
333.14484	4.0
351.11835	1.1
351.15518	21.4
351.19492	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	351.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86276	0.6
53.03933	2.1
54.01106	0.7
54.19689	0.7
55.01881	5.3
55.05513	7.2
57.03434	1.1
65.03935	2.0
67.05515	7.5
68.99812	0.6
69.03419	2.4
69.07063	2.6
71.54005	0.8
72.05519	0.6
73.02926	1.1
77.03932	1.4
79.05499	8.2
81.03434	5.2
81.07066	7.5
83.04997	1.8
83.08627	3.6
85.02913	1.4
85.06561	0.8
91.05483	12.6
93.03405	1.6
93.07040	4.7
95.01334	1.4
95.04961	3.7
95.08628	3.6
97.02892	1.9
97.06560	0.9
97.10175	2.7
103.05463	1.9
105.03391	2.6
105.07045	7.7
107.04959	5.2
107.08606	3.5
107.59314	0.6
109.02887	2.9
109.06516	1.1
109.10168	2.3
111.08064	0.9
115.05446	3.6
116.06245	0.7
117.07022	6.1
117.24068	0.7
117.24937	0.9
119.04980	4.2
119.08548	3.2
121.02882	2.7
121.06483	2.2
121.10152	1.4
123.04465	3.6
123.08109	1.1
125.02360	1.9
125.09663	1.2
127.03905	1.0
128.06232	2.0
129.07024	5.8
131.04935	3.3
131.08565	4.9
133.02850	1.1
133.06541	4.0
133.10124	2.7
135.04411	4.2
135.08078	1.4
135.11703	0.8
137.06001	1.3
139.03931	1.9
141.07059	3.8
142.07819	1.4
143.04898	1.4
143.08611	3.1
144.05688	1.2
145.02878	0.7
145.06467	4.9
145.10129	3.0
147.00850	0.7
147.04424	5.1
147.08057	2.2
147.11700	1.3
149.02354	4.5
149.05994	1.2
149.09619	1.0
151.03873	3.2
153.06984	1.2
155.08574	4.1
157.06482	2.5
157.10158	2.5
159.04430	2.4
159.08081	1.3
159.11691	1.7
161.02351	2.1
161.05994	4.9
161.09669	2.3
163.03931	4.2
163.07541	1.2
163.11269	1.0
165.01875	2.3
165.05547	1.3
165.06998	1.1
166.07735	1.2
167.08524	1.3
169.06454	1.0
169.10150	2.6
171.04453	1.7
171.08058	2.1
171.11676	2.0
173.02397	1.1
173.06035	6.3
173.09613	1.8
175.03922	5.6
175.07559	1.5
177.05504	1.9
179.03430	1.7
179.08530	0.9
181.05060	0.9
181.06532	0.8
181.10182	1.7
183.04320	0.8
183.08060	1.1
183.11696	0.9
185.06036	2.0
185.09659	2.2
185.13275	1.4
187.03925	2.7
187.07652	1.0
187.11147	1.3
189.05492	7.0
189.09148	0.9
191.03429	1.0
193.05121	0.8
194.75182	0.7
195.08107	1.1
195.11726	1.9
197.09677	1.9
199.03935	1.5
199.07541	1.4
199.11224	2.4
201.05391	1.4
201.09143	0.7
203.03403	1.0
203.07112	0.8
203.10649	1.2
205.04948	1.6
205.10147	1.1
209.09526	1.3
211.07550	0.7
211.11029	0.8
212.07928	0.6
213.09052	1.0
213.12790	2.3
215.10728	2.5
217.04974	4.0
217.12277	1.1
219.06496	1.5
221.04457	10.3
223.06010	1.1
223.11130	2.8
225.09131	2.5
227.10703	2.0
229.12358	0.6
231.06371	0.9
231.10197	1.0
231.13800	1.4
233.11725	6.8
235.06056	2.3
239.10648	0.7
241.12308	6.1
243.10237	1.7
243.13806	1.6
245.11623	1.6
251.10632	3.6
255.10226	1.7
259.13376	4.8
261.11246	2.5
261.14835	1.0
269.11792	7.0
271.09607	1.0
271.13370	1.9
277.10745	2.1
279.10135	2.7
285.11105	1.1
287.12799	14.4
289.10983	0.9
289.14511	1.0
297.11200	6.7
303.12363	2.1
305.13837	5.5
306.75885	0.7
315.12308	20.3
323.98538	0.7
333.13342	100.0
334.13696	0.9
351.14362	2.7
351.18155	1.0
356.34579	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94423	5.1
69.94809	3.7
74.56575	1.9
75.26772	1.6
87.86028	1.8
98.21431	1.8
142.12047	1.6
195.05287	2.5
198.17548	1.8
254.99277	2.0
279.11960	1.8
341.56528	1.9
351.06860	100.0
351.10699	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	351.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96582	3.5
69.03415	4.9
72.74750	2.8
84.08130	8.0
85.02910	17.0
97.02888	5.7
98.97594	23.9
101.00900	15.6
109.02858	2.9
110.97559	5.1
113.00884	4.2
115.02407	6.9
115.54131	3.2
116.98595	5.1
119.01917	8.9
122.24134	3.3
127.03896	4.5
129.03958	6.9
131.01904	10.5
133.03458	7.6
139.02451	3.1
143.01938	7.5
145.03438	10.9
147.05070	15.2
153.03975	5.2
155.01918	9.8
157.03455	14.0
158.99704	6.2
159.05025	5.1
170.99544	4.8
171.05096	18.6
173.03008	6.7
179.48459	3.0
183.05025	7.2
185.02908	4.3
187.04597	3.3
189.06093	28.7
201.06155	20.0
203.03986	8.4
203.07677	4.7
217.05605	3.8
219.01794	4.8
221.05005	9.9
225.06079	7.0
228.78543	3.0
231.07196	3.9
233.03455	3.1
235.06601	10.7
245.05055	7.3
249.02898	3.5
249.08127	4.8
251.04227	3.5
253.07782	14.9
261.08310	9.8
263.44962	3.5
279.09348	18.1
289.07666	6.9
291.03833	3.0
291.09427	42.7
305.10660	7.3
307.08725	11.2
309.08823	10.1
325.09827	12.2
333.10468	3.5
337.37805	3.0
351.06757	55.9
351.11151	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2324
Annotation	Acetyllycoclavine
Peak:m/z	Relative Intensity
53.03947	2.5
55.01862	1.5
55.05519	8.0
55.30069	1.0
56.05022	1.4
57.03441	3.6
58.06351	1.3
58.06611	16.6
60.04520	4.8
67.05508	14.8
68.05032	13.2
68.05845	1.3
69.03426	2.1
69.07070	9.9
70.06593	1.5
71.04993	8.6
79.05498	13.4
81.03421	4.1
81.07069	18.0
82.06589	6.7
82.07397	2.2
83.04987	3.6
83.08609	2.1
84.08155	9.5
86.09715	3.1
91.05502	10.7
92.05829	2.0
93.07038	14.6
95.04954	4.1
95.08604	8.1
96.08140	100.0
96.63979	1.0
97.06523	2.9
97.08932	6.1
98.09704	1.1
98.20784	2.7
100.07616	5.6
105.07046	10.4
106.04468	1.0
106.07397	2.5
107.04943	4.1
107.08633	6.2
108.08147	1.8
108.08910	2.0
109.06541	3.4
109.10175	4.8
110.09689	1.6
111.08096	2.1
112.07616	32.8
114.09175	1.4
117.07024	2.9
119.08585	6.1
121.06508	1.9
121.10157	3.3
122.09673	1.6
123.08073	1.9
124.07640	5.5
128.10721	6.0
129.06982	2.2
129.10237	1.3
131.07729	1.0
131.08577	6.7
132.08934	1.6
133.10146	7.8
134.10497	2.6
135.08067	5.7
135.11702	3.6
137.09621	2.6
138.09145	28.1
143.08574	2.9
145.10170	5.9
146.10535	1.7
147.08052	3.0
147.11703	2.7
149.09622	3.8
157.10127	3.1
159.11705	3.9
161.09555	2.5
163.11157	1.9
164.11752	1.3
171.11768	1.6
173.13333	2.3
199.14885	1.5
219.13814	1.2
255.17337	1.9
258.19202	3.0
272.20035	2.5
273.18536	16.4
276.20514	5.7
290.21207	9.3
290.31360	1.2
291.19489	8.2
306.21149	1.4
308.22177	9.8
332.22122	3.1
350.20044	41.8
350.23450	70.9
351.21417	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	9.6
59.04988	7.2
60.04503	6.1
67.05510	19.0
69.03425	4.9
69.07075	52.1
69.36011	19.2
71.04989	5.0
73.02899	3.0
79.05478	12.2
81.03436	3.7
81.07061	30.3
83.04967	10.3
83.08611	6.6
85.02903	20.4
85.06542	13.1
91.05497	19.9
93.07048	97.9
95.08058	4.3
95.08614	55.9
97.02911	5.0
97.06545	20.9
98.20798	5.4
99.04470	2.7
105.07030	28.5
107.08601	73.7
109.10168	39.0
117.07058	3.3
119.04869	2.9
119.06074	2.9
119.08575	7.1
123.11723	4.7
127.03869	3.7
128.07109	3.1
129.45021	3.1
129.85301	2.7
130.06508	3.2
135.11700	100.0
136.06171	5.3
137.06569	4.1
137.13211	4.1
145.05009	5.6
147.04370	8.7
153.12750	33.6
169.25615	2.8
204.13922	5.8
264.15918	3.5
306.20657	8.5
319.12643	4.1
331.08371	3.4
332.22260	5.7
350.19702	11.7
350.23590	9.2
350.28574	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24303	1.5
55.05513	10.0
55.06411	1.7
57.03449	1.7
57.07082	2.2
57.50697	1.3
59.04996	2.3
61.02932	2.3
64.27380	1.7
67.05510	7.9
68.57980	1.4
69.03456	7.5
69.07063	3.1
69.26897	3.6
69.27293	12.7
71.04992	10.1
73.02917	1.8
79.05499	5.1
80.05028	1.5
81.03429	4.0
81.07061	24.5
83.04979	2.0
83.08620	11.9
85.02918	23.5
86.09695	2.5
91.05474	4.2
93.07050	47.1
95.08617	34.6
95.09245	2.0
97.02892	6.1
97.06535	21.3
98.21633	2.7
101.09663	5.0
102.09190	3.3
105.01842	1.9
107.08604	60.2
109.02894	4.2
109.10163	40.3
111.08090	2.3
118.39321	1.4
120.08084	1.5
123.11729	18.1
127.03928	7.0
127.11166	2.1
135.11705	100.0
139.72971	1.4
141.12759	3.8
145.04961	6.0
151.26163	1.4
153.12758	54.0
156.21919	1.4
162.17764	1.4
171.13808	54.4
185.79790	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	350.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.3
55.05494	1.4
59.04985	3.6
61.02917	1.7
67.05504	2.7
69.03412	1.8
69.07064	2.4
70.06565	1.6
70.57357	1.4
70.57720	4.0
73.45763	1.3
79.05494	4.8
85.02903	13.7
86.09692	4.1
91.05484	6.6
93.07053	51.4
93.07636	3.0
95.04977	1.2
95.07997	2.1
95.08611	43.8
97.02881	4.0
97.06541	3.3
97.86543	1.2
100.11263	1.9
105.07011	1.7
107.08604	47.0
120.08087	1.5
127.03922	3.4
128.25043	1.4
135.11700	100.0
145.04985	6.4
147.34560	1.6
153.12766	22.5
157.13368	4.6
161.35968	1.5
163.05994	3.1
171.13799	7.7
327.04794	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01854	3.6
55.05499	3.5
57.03424	4.6
59.04991	2.0
60.04530	6.0
61.02921	3.0
67.05502	6.4
69.03134	1.1
69.03436	10.9
69.07065	5.2
69.83533	4.5
71.01326	1.5
71.04984	11.4
72.08148	1.0
73.02923	1.9
73.06546	1.8
76.19789	1.0
79.05511	7.6
81.03408	2.6
81.07051	11.1
83.04967	1.3
83.08617	1.2
85.02911	9.0
85.06523	1.2
87.04478	1.6
91.05467	4.6
93.07041	23.2
95.08604	18.0
97.02877	3.3
97.05923	2.1
97.06534	38.4
99.04453	2.5
99.57330	1.1
105.07018	2.3
105.55475	1.1
107.08597	19.8
109.10153	8.9
114.05513	2.1
117.03378	1.7
118.06527	3.4
120.08093	1.4
127.03874	1.1
133.06427	1.1
135.11694	50.0
137.97952	1.0
140.25110	0.9
145.02824	3.1
145.04944	2.3
145.07605	13.4
146.09586	2.1
147.09181	20.8
152.49171	1.1
153.12750	59.5
157.07574	2.4
158.11777	2.6
159.09183	11.1
160.09944	1.5
171.13803	27.2
173.07086	2.0
173.10806	1.1
177.05478	5.1
185.10744	4.0
188.10760	1.3
191.08167	100.0
197.10719	1.7
199.12234	2.1
213.10240	2.0
215.11755	2.0
216.07689	9.5
225.10161	1.3
263.13928	7.2
289.11826	4.0
307.12894	50.0
332.20889	1.1
332.28012	1.9
350.08575	3.5
350.13425	65.0
350.23105	5.3
350.28903	4.4
351.13345	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	350.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79446	1.0
61.02936	2.0
65.03941	5.4
69.03434	4.7
70.92205	2.3
81.03416	1.4
83.04986	2.4
84.19158	1.0
85.02914	14.9
93.03408	4.3
97.02901	3.2
111.04452	24.8
121.03996	1.7
127.03925	1.7
135.08037	1.2
139.03911	72.9
145.04930	1.1
147.04420	1.1
156.04211	2.1
170.07909	1.1
171.06540	100.0
234.44368	0.9
263.13501	1.0
329.02707	1.0
374.07025	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.2
55.01861	1.5
61.02909	1.6
62.50197	0.7
65.09766	0.8
69.03407	2.5
70.82891	0.8
71.09182	0.8
71.09514	1.4
71.18366	0.8
79.05489	5.4
81.03421	1.3
85.02920	7.1
91.05484	19.3
93.07047	81.4
95.04945	1.3
97.02893	1.8
98.97555	1.0
99.04890	1.0
105.07050	1.0
107.07426	0.8
107.08611	11.0
117.07008	11.4
119.04958	1.4
120.08026	1.0
126.04974	0.8
127.03873	1.1
128.82079	1.0
135.08063	56.1
147.04385	3.9
152.05333	1.1
153.09113	100.0
166.89642	0.8
171.10173	93.3
188.12733	1.0
250.92955	0.9
350.18051	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03947	0.7
55.01870	0.6
55.05272	0.6
55.05517	5.3
56.96573	0.5
57.07072	1.6
63.97987	0.4
67.05507	5.8
67.36040	0.4
69.06730	0.7
69.07074	9.9
69.15691	3.6
69.16094	1.0
71.04994	0.9
71.40343	0.5
79.05499	4.4
80.05808	0.5
81.07060	9.1
83.04993	0.8
83.08626	4.0
85.06543	0.8
91.05497	3.9
92.05791	0.5
92.43542	0.4
93.07047	5.1
95.05010	0.6
95.08619	7.2
97.06539	1.6
97.10179	0.8
105.07041	5.8
107.08606	4.5
109.06532	9.8
109.10171	3.4
111.08067	1.4
117.07061	0.7
119.08577	5.1
121.06538	0.9
121.10169	3.9
122.07287	0.7
123.08076	56.2
123.11744	1.6
125.09692	0.6
131.08559	1.7
133.10130	4.5
134.10442	0.6
135.08057	4.1
135.11688	1.5
137.09686	2.7
143.08536	0.6
144.91795	0.4
145.10149	1.9
147.11697	2.4
148.12071	0.6
149.09653	1.5
149.13214	1.1
151.11203	0.5
159.11725	1.6
161.13280	1.5
163.11214	1.1
165.12756	0.9
165.48482	0.4
179.14339	14.3
193.48088	0.4
233.19110	0.7
247.20688	0.6
257.19092	0.6
275.20099	1.6
289.21640	3.4
290.21942	1.9
293.21143	14.7
303.26910	0.6
307.25031	1.2
327.17154	0.5
331.26419	3.0
349.27420	100.0
350.27698	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	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05517	6.7
57.03438	1.0
57.07060	1.3
67.05506	8.3
69.07072	14.1
71.05007	2.0
79.05502	8.3
81.07061	11.6
83.04978	1.5
83.08633	4.1
85.65154	0.8
91.05490	5.2
93.07050	5.5
95.08616	10.8
97.06530	3.1
98.20787	2.1
105.07047	6.6
107.08585	8.3
108.50472	0.8
109.01582	0.8
109.06518	11.1
109.10158	3.7
111.08038	1.7
112.80760	0.9
113.78635	0.8
117.06977	1.1
119.08562	4.6
121.10158	3.7
122.07290	1.0
123.08070	59.3
123.11748	2.5
125.09641	1.5
131.08528	2.5
133.10118	4.0
135.08069	3.9
135.11674	2.2
137.09619	3.9
145.10162	2.6
147.11696	3.2
149.09616	3.8
149.13217	2.1
159.11745	2.8
161.13252	1.5
163.11197	2.0
165.12694	1.1
177.12761	1.4
179.14290	8.5
205.40327	0.9
212.54317	0.9
221.97357	0.9
257.18997	1.6
261.22141	0.9
275.20126	5.3
293.21121	17.4
331.26367	2.0
349.24051	4.8
349.27393	100.0
350.27899	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	349.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41971	4.0
53.03943	5.9
53.19147	3.8
54.61984	3.8
55.05503	16.8
57.03418	6.2
57.07069	9.3
65.03934	5.4
67.05508	41.1
69.03433	4.8
69.07078	36.8
69.37316	32.6
76.86931	4.1
79.05496	44.9
81.07059	58.8
83.04956	6.3
83.08598	11.5
91.05476	48.7
93.07043	67.5
95.04956	17.7
95.08610	42.8
97.06518	12.9
98.20815	8.7
103.05446	7.6
105.07035	100.0
107.08595	56.0
109.06500	12.7
109.10149	38.8
115.05407	5.2
117.07032	24.9
119.07787	7.2
119.08590	77.3
121.06520	9.9
121.10144	86.3
123.08064	18.0
123.11688	8.1
128.06203	8.0
129.06990	15.0
130.07765	7.8
131.08557	48.2
133.10121	41.3
135.08040	10.2
135.11688	16.8
137.09625	7.9
141.07001	9.2
142.07808	11.5
143.08546	23.8
144.09335	5.5
145.10124	50.2
147.08032	7.1
147.11705	20.2
149.09601	16.2
149.13208	7.1
151.21216	3.7
155.08534	13.8
156.09340	5.3
157.10126	37.0
159.11684	20.8
161.09615	17.1
161.13255	7.0
163.11203	5.7
166.07793	4.3
169.10118	13.2
170.11064	6.4
171.11700	16.2
173.13226	20.3
175.14864	7.2
179.08527	6.7
179.14362	22.0
181.10162	9.3
182.10999	4.2
183.11655	16.4
185.13271	13.0
187.11166	4.9
187.14793	17.3
189.11093	4.8
194.10953	7.8
195.11693	10.1
196.12477	8.5
197.13240	10.0
199.14790	12.3
201.16270	5.6
209.13269	20.2
211.14783	7.2
213.16393	7.7
218.66917	4.4
223.14828	6.0
227.14305	5.8
239.17982	7.7
257.18970	8.3
259.47479	4.8
265.19492	4.5
268.10870	4.5
275.20035	11.9
299.33249	3.8
349.24353	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	349.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.1
55.01867	4.7
55.05526	29.0
57.03434	8.3
57.07058	7.9
62.70392	3.6
65.03950	7.7
67.05504	54.8
67.36515	4.2
69.07072	39.7
69.41148	36.4
71.04974	6.0
79.05495	51.5
81.03444	4.2
81.07066	61.0
83.08632	9.5
91.05493	63.8
93.07045	77.2
95.04964	29.4
95.08613	63.4
97.06522	22.0
105.07032	100.0
107.08598	63.8
109.06532	18.5
109.10165	39.6
117.07030	19.9
119.07796	8.4
119.08589	96.9
121.06507	6.7
121.10152	83.4
123.08062	16.2
123.11716	11.1
128.06245	8.4
129.06996	12.6
130.07794	5.8
131.08582	55.1
133.06483	4.9
133.10138	59.9
135.08037	17.5
135.11690	21.3
142.07780	12.2
143.08548	32.6
144.09360	11.4
145.10118	62.4
147.08017	7.9
147.11661	23.0
149.09598	17.9
149.13240	4.9
153.07043	5.6
155.08556	11.9
156.09361	8.3
157.10150	44.3
159.08144	4.9
159.11688	24.8
161.09616	25.3
161.13261	10.8
163.11218	9.6
166.93185	4.4
167.08548	6.0
169.10127	17.4
170.10860	9.2
171.11662	21.3
173.09605	7.8
173.13290	13.7
175.11177	9.1
175.14827	12.4
179.08563	8.1
179.14290	14.9
181.10094	11.8
182.10802	6.2
183.11668	14.2
185.13248	12.7
187.14851	19.2
194.10953	7.7
195.11641	7.5
197.13287	8.3
199.14804	10.3
201.16376	7.8
209.13268	12.7
211.14764	13.9
225.16383	5.3
227.14381	9.1
239.18024	7.3
253.19623	5.3
275.17413	5.9
275.20169	22.7
349.24579	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	2.4
53.03950	17.1
55.01877	13.7
55.05265	2.2
55.05514	26.8
57.03194	1.7
57.03445	18.3
57.21714	2.0
65.03952	4.2
66.04748	1.9
67.05509	73.1
69.03418	4.7
69.07073	63.2
70.17825	4.2
70.18224	3.8
71.04988	2.3
73.38424	2.0
79.05499	58.0
81.03422	35.8
81.07061	95.4
83.04981	13.4
83.08633	12.6
85.06573	2.7
91.05484	69.9
93.06475	3.5
93.07049	57.4
95.01338	22.3
95.04976	19.7
95.08616	54.8
97.06535	24.2
97.10169	4.8
99.08057	2.6
100.47945	2.4
103.05457	2.3
105.07037	100.0
107.04958	43.7
107.08603	28.9
109.06544	9.6
109.09486	2.2
109.10152	9.8
111.04472	3.3
111.08073	4.9
117.07020	25.9
118.29879	2.2
119.08584	45.9
121.06501	8.2
121.10115	8.6
123.04465	2.3
123.08079	9.4
123.11715	2.6
125.09600	4.3
128.20789	1.8
129.06963	3.7
130.07785	2.4
131.08575	30.3
133.06548	2.9
133.10141	59.9
135.08054	5.9
135.11696	12.9
137.09653	2.7
141.07001	3.1
143.08557	5.3
144.09302	2.1
145.06488	6.8
145.10129	26.2
147.11682	26.3
149.09604	8.0
149.13290	9.1
155.08577	3.5
157.10133	3.8
159.08040	2.8
159.11696	21.4
161.13252	12.0
163.11171	5.7
165.09119	2.4
165.12785	2.9
169.10133	6.3
171.11690	4.8
173.13223	6.4
177.12766	9.9
179.14320	32.9
183.11742	3.4
187.11235	9.0
187.14819	2.2
195.13806	3.3
223.13226	2.9
229.19536	3.3
239.17975	6.8
241.14313	2.6
257.18982	9.8
275.20071	83.6
293.21008	2.7
349.23734	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03933	5.7
55.01875	17.3
55.05270	2.4
55.05515	31.7
57.03440	18.8
57.07084	2.1
65.03931	2.9
67.05508	52.2
69.03436	2.2
69.06725	2.8
69.07073	37.1
71.04984	3.9
77.03910	2.1
79.05497	75.1
81.03414	5.4
81.07058	44.8
83.04992	8.9
83.08595	9.3
91.05485	49.2
93.07049	42.1
95.01350	2.6
95.04974	10.3
95.08609	25.9
97.06532	17.3
97.10165	12.9
98.20715	4.1
105.07037	59.2
107.04968	20.0
107.08593	74.5
109.06535	5.6
109.10163	14.8
111.08062	4.0
115.05424	2.2
117.07039	19.4
119.06118	2.6
119.08579	29.5
121.06480	4.1
121.10136	13.2
123.08062	4.9
123.11736	4.0
125.09626	10.2
128.06223	2.4
129.07027	5.0
130.07794	3.7
131.08574	28.7
133.10136	42.5
135.08026	6.1
135.11699	12.4
137.09610	2.6
141.07001	3.1
143.08540	7.2
145.06393	1.9
145.10136	68.4
147.11702	23.0
149.09605	22.8
149.13239	3.1
155.08542	5.0
157.10120	4.5
159.11707	21.1
161.09654	3.1
161.13261	7.1
163.11159	11.5
169.10107	5.4
171.10342	2.5
171.11702	12.0
173.11853	2.8
173.13275	6.3
176.53688	2.0
177.12730	6.1
179.14334	6.3
181.53864	1.7
183.11716	6.8
183.70946	1.8
185.13274	5.4
187.11159	4.1
187.14803	2.1
189.11226	7.2
189.12740	3.2
197.13232	4.4
208.59039	1.8
215.17986	2.3
229.19545	5.5
239.17982	15.4
257.19037	46.0
275.20081	73.2
293.21216	2.6
331.22629	4.3
340.68597	1.8
349.20544	3.7
349.23758	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03151	1.4
53.03943	3.1
55.01876	5.2
55.05269	1.5
55.05515	16.9
56.96579	1.7
57.03440	14.0
57.07067	3.7
60.46402	1.1
65.03952	1.1
66.42150	0.9
67.05508	29.9
69.03419	1.8
69.07072	22.0
71.04990	2.7
77.19524	1.1
79.05069	2.0
79.05496	26.9
81.03421	1.5
81.07063	36.3
83.04984	10.2
83.08611	5.0
91.05486	22.5
93.07047	28.7
95.04969	9.1
95.08054	2.1
95.08614	20.8
97.06506	5.1
97.10145	3.5
98.21561	2.0
103.05453	1.7
105.07037	28.5
107.04974	11.3
107.08602	21.3
108.81187	1.0
109.06539	10.5
109.10152	9.3
111.08080	2.6
117.06998	11.2
119.08595	18.3
121.06510	11.3
121.10138	12.3
123.08064	5.9
123.11716	3.1
129.07024	3.8
131.08578	17.2
133.06505	3.3
133.10138	19.4
135.08052	5.5
135.11720	7.4
137.09627	3.1
141.07018	1.6
143.08554	4.2
145.06491	1.5
145.10120	13.2
147.08012	2.8
147.11685	12.5
149.09634	8.6
149.13246	3.7
151.11249	6.2
155.08543	1.5
157.10155	3.1
159.08041	3.2
159.11705	9.0
161.09645	2.7
161.13266	3.3
161.86015	1.3
163.11171	7.9
165.12737	1.9
169.10100	2.3
171.11719	3.3
173.09628	3.8
173.13293	6.4
175.11206	1.8
177.12779	3.2
179.14267	2.1
183.11739	2.1
184.45787	1.1
187.11134	2.4
187.14738	1.8
191.14325	3.1
197.13324	1.9
198.45390	1.1
199.14842	1.7
201.12775	3.9
207.13815	3.5
207.67699	1.1
215.14346	1.6
215.17966	1.9
219.13802	5.1
229.19495	2.5
239.18004	3.7
240.40643	1.1
247.20622	4.5
257.19070	13.2
275.20078	100.0
276.20477	2.2
293.21143	6.7
349.17288	2.3
349.23752	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	18.2
55.01875	17.0
55.05513	29.3
57.03445	22.1
57.80415	2.2
65.03921	3.8
67.05511	68.6
68.99786	2.5
69.03440	2.4
69.07071	58.0
70.47302	4.0
71.04990	4.5
77.03913	2.0
77.28825	2.1
79.05499	63.3
79.36721	2.1
81.03425	26.7
81.06580	4.8
81.07061	91.1
83.04991	12.7
83.08649	11.9
83.09058	2.6
85.06537	5.6
91.05491	80.0
93.07048	60.9
95.01334	18.9
95.04977	17.4
95.08614	57.9
97.06548	26.2
97.10172	4.2
103.05482	2.3
105.07040	91.8
107.04965	39.1
107.08609	27.6
109.06541	13.2
109.10163	13.7
111.08097	4.3
117.07025	28.5
119.08595	55.1
121.06513	8.6
121.10140	18.1
123.04457	4.5
123.08086	10.0
123.11729	4.6
125.09628	4.6
129.06956	5.6
131.08586	37.2
133.06503	4.0
133.09117	3.0
133.10132	56.0
135.08046	6.8
135.11690	15.0
137.09657	3.6
137.27377	2.0
140.27013	2.3
141.06999	6.3
143.08560	8.0
145.06488	4.3
145.10132	35.6
147.11708	28.7
149.09618	9.8
149.13254	8.6
149.64604	2.1
151.11197	4.8
155.08583	3.7
157.10147	6.2
159.11708	25.1
161.09633	3.1
161.13255	9.9
163.11169	7.9
169.10068	4.6
171.11621	5.8
173.13280	7.5
177.12732	10.4
179.14328	24.8
183.11728	3.8
185.13240	3.1
187.11211	9.2
197.13255	3.7
209.29825	2.2
223.13339	2.8
229.19508	6.3
232.38028	2.3
239.18008	8.0
241.14438	3.1
247.20645	3.5
257.18991	16.8
275.20093	93.0
293.21103	3.3
346.74741	2.1
349.20203	4.5
349.23743	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03951	5.5
53.16762	0.8
55.01879	13.2
55.05267	1.6
55.05513	19.2
57.03441	23.2
57.07070	1.6
62.20794	1.0
65.03937	2.7
66.21342	1.1
67.05507	40.1
67.59528	1.0
69.03422	1.1
69.07074	31.9
69.72977	5.6
70.72061	1.1
71.04982	3.4
73.02916	1.2
73.04044	1.4
76.38899	1.0
79.05496	44.6
81.03418	4.0
81.07060	49.3
83.04980	4.8
83.08628	9.2
85.02938	1.3
85.06541	4.4
91.05486	51.2
93.07050	43.7
95.01328	1.5
95.04986	6.0
95.08611	30.8
97.06538	18.7
97.10177	4.0
98.20849	2.0
100.77659	1.0
103.05448	1.7
105.04522	2.2
105.07037	63.8
107.04947	9.0
107.08601	34.5
109.06546	6.4
109.10149	9.9
111.08080	3.3
115.05468	2.2
116.06212	1.0
117.07027	21.7
119.08585	48.8
121.06512	4.1
121.10152	12.3
123.04408	1.1
123.08074	5.5
123.11715	2.4
125.09639	4.3
128.06235	2.4
129.06993	7.6
130.07814	2.1
130.25850	1.3
130.26805	0.9
131.08571	29.8
133.06468	1.7
133.10141	34.8
133.29022	1.0
133.59497	1.2
134.10518	1.1
135.08063	3.8
135.11699	8.8
137.09651	3.2
141.06946	2.3
143.08582	7.3
144.09344	1.9
145.10129	37.1
147.08084	1.4
147.11694	25.3
149.09645	11.5
149.13309	3.2
151.11192	2.7
155.08559	2.5
157.10136	11.0
159.11700	29.0
161.09637	3.5
161.13277	13.1
162.13565	2.0
163.11174	10.2
163.14795	1.2
165.09189	1.9
168.09361	1.3
169.10150	5.6
171.11711	7.2
173.09520	1.0
173.13255	11.7
175.11180	2.3
175.14832	3.1
177.12688	4.8
179.14360	3.9
183.11719	7.4
185.13287	12.0
187.11212	3.5
187.14772	1.6
189.11296	1.7
189.12756	1.3
191.14377	1.5
197.13329	5.6
199.14726	1.2
201.12773	2.2
201.16510	2.0
203.14369	6.2
211.14838	2.2
213.16397	2.2
215.18031	1.6
218.39017	1.0
219.17506	8.5
221.15388	2.1
222.16727	1.5
229.15906	1.3
229.19502	4.8
239.17966	11.7
247.20578	2.2
256.23358	1.0
257.19025	31.9
259.20786	1.5
275.20074	49.3
293.20926	1.4
331.22665	3.7
340.15512	1.2
349.20200	4.1
349.23749	100.0
350.24023	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00321	1.6
53.03952	16.2
55.01879	19.8
55.05269	1.9
55.05515	27.1
57.03186	2.3
57.03440	21.8
57.07094	1.9
57.87878	1.6
61.02895	2.3
65.03934	2.6
67.05510	71.1
69.03436	3.5
69.07073	68.6
69.43539	7.3
69.43964	5.9
71.04985	2.8
73.30507	1.7
79.05495	67.0
81.03427	38.6
81.07066	89.7
83.04983	11.8
83.08625	12.6
85.06544	4.4
91.05490	76.6
91.20967	1.7
93.06485	3.6
93.07056	66.8
95.01342	28.6
95.04992	22.8
95.08618	57.6
97.06542	30.2
97.10156	7.1
98.20761	3.9
99.04414	2.4
99.08068	3.8
105.04516	2.7
105.07038	99.4
107.04963	47.5
107.08594	30.3
108.50793	1.6
109.06527	9.5
109.10167	16.6
111.08063	5.6
115.05418	3.2
115.90799	1.8
117.07025	28.3
119.08585	55.8
121.06506	6.2
121.10182	12.9
123.04454	4.2
123.08071	11.2
123.11732	2.0
125.09618	4.7
129.07001	6.4
131.08589	36.3
133.10141	64.7
135.08098	8.8
135.11705	15.3
137.09631	2.6
139.07613	2.8
141.06992	5.1
143.08554	6.9
143.49754	1.7
145.06483	6.7
145.10147	35.0
147.11703	30.6
149.09631	13.2
149.13278	12.2
151.11182	3.7
154.07822	2.1
157.10124	5.4
159.11723	26.8
161.09610	2.4
161.13261	11.4
163.11171	9.1
165.09105	4.8
169.10126	6.9
171.11682	6.5
173.13277	7.6
175.11122	2.5
177.12718	10.4
179.14314	37.2
183.11656	4.4
185.13344	2.2
187.11159	8.2
191.14445	1.9
195.13860	3.8
197.13261	3.6
205.12239	5.1
219.13858	2.0
223.13210	4.0
229.19495	3.4
239.17871	5.3
247.20633	5.5
257.19000	13.0
268.11441	4.0
275.20081	100.0
276.20322	3.0
293.21103	2.1
349.19891	13.1
349.23749	84.4
350.23871	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	349.2373
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03932	6.3
55.01868	15.6
55.05513	28.6
57.03431	18.0
61.90702	2.0
63.73389	1.9
65.03931	3.3
67.03338	1.7
67.05503	52.6
67.10348	2.4
67.46739	2.2
69.07069	41.3
69.29218	4.9
69.29629	16.2
71.04985	4.3
79.05495	68.2
81.03423	4.7
81.07062	45.3
83.04978	8.2
83.08627	12.9
85.06526	2.5
86.80546	2.0
91.05485	56.4
93.07050	44.6
95.04956	10.0
95.08064	2.6
95.08606	30.8
97.06551	17.8
97.10156	9.1
103.05499	2.3
104.91079	2.1
105.07033	61.3
107.04955	20.5
107.08594	64.4
109.06519	7.4
109.10162	11.5
111.08025	4.0
117.07016	22.9
119.06122	2.9
119.08581	37.7
121.06518	8.2
121.10125	17.0
123.08069	3.4
125.09609	9.5
125.74795	2.1
129.07013	5.6
131.08575	30.4
133.10138	37.4
135.08058	4.5
135.11682	10.6
137.09605	5.9
141.06978	3.6
143.08536	8.3
145.10124	64.0
147.11684	29.5
149.09613	24.8
149.13240	2.6
151.11179	3.6
157.10170	6.4
159.11696	25.1
161.09587	2.5
161.13237	9.9
163.11253	10.3
169.10109	5.2
171.10316	2.7
171.11670	12.9
173.11938	2.7
173.13263	12.2
175.11179	3.1
177.12729	5.1
179.14349	5.8
181.12259	2.4
183.11653	5.9
185.13208	4.1
187.11119	4.6
189.11234	7.9
189.16260	2.5
197.13243	7.2
229.19507	5.6
239.17969	16.3
247.20543	4.2
257.19012	36.7
275.20078	72.4
279.58435	2.4
293.21170	3.2
331.22589	4.8
349.19852	11.3
349.23694	100.0
350.23975	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	349.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35225	0.7
51.24923	0.6
53.03927	0.7
55.01865	1.5
55.05520	4.6
57.03441	3.4
59.64294	0.5
61.02951	0.6
67.05508	9.7
69.07066	6.2
69.62522	0.5
70.06540	0.6
71.04977	0.8
73.02921	0.7
79.05495	9.4
81.03429	1.4
81.07062	13.5
83.04993	1.4
83.08619	2.4
90.30211	0.6
91.05486	10.3
93.07053	8.8
95.04983	1.6
95.08596	5.9
96.08154	2.3
97.06533	3.0
102.49169	0.6
105.07038	11.1
107.04916	1.5
107.08600	7.5
108.67993	0.6
109.06521	2.1
109.10155	3.0
111.08091	0.7
112.07613	1.1
117.07036	4.3
119.08590	9.6
121.06547	0.8
121.10166	3.4
123.08102	1.1
123.11691	0.7
129.07004	1.8
131.08565	5.3
133.10132	8.5
135.08101	1.2
135.11699	2.3
137.05789	1.2
137.09642	0.9
143.08582	0.8
145.10126	5.2
147.11731	4.0
149.09642	1.6
149.13173	1.0
151.11205	0.8
155.08603	1.0
157.10120	1.3
159.11685	4.8
161.09569	0.7
161.13287	1.7
163.11229	1.5
171.11713	1.4
173.13269	2.0
177.12813	1.2
179.14305	0.9
181.81212	0.6
183.11772	1.6
185.13274	0.8
197.13333	1.1
229.19502	1.3
239.18016	1.8
257.18988	5.8
275.20132	9.7
331.22705	0.9
349.19904	100.0
349.23831	19.9
350.19992	1.0
350.23685	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.0
56.05022	4.5
57.03440	11.5
58.99588	8.9
69.07052	1.7
69.57674	5.5
71.05001	1.1
76.02232	10.4
79.05502	11.8
81.07063	91.6
84.04507	72.6
85.01122	3.3
86.00666	7.3
86.99058	10.9
87.02697	46.2
91.05457	1.3
98.09673	2.5
98.20790	1.2
99.08102	11.1
102.05531	1.1
105.00092	12.3
113.04236	3.4
118.91296	1.1
120.53874	1.0
122.02738	59.3
130.05019	12.3
132.01152	15.3
139.44611	1.3
142.03232	4.4
153.01773	1.4
156.08424	5.1
157.06822	1.4
159.04765	16.8
167.06966	1.5
169.12177	2.0
174.05600	1.1
174.09448	3.4
176.07291	1.2
188.03781	3.0
190.04958	2.0
195.02939	1.9
202.08975	100.0
203.05531	2.3
203.07382	23.5
203.09145	1.4
210.11339	2.1
220.10046	22.6
231.10406	1.2
234.04298	3.4
251.06979	3.2
265.42438	1.1
286.11185	5.7
289.12027	1.2
331.13181	9.7
332.11679	4.4
349.09583	1.6
349.14264	24.1
349.18222	1.4
370.61661	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.7
69.03425	1.1
70.06588	0.8
70.82423	1.4
79.05479	0.9
81.03389	1.0
81.07060	0.8
83.08633	0.8
84.04512	0.8
85.02884	1.2
85.08002	0.4
85.13968	0.5
109.02872	0.6
111.04436	0.6
121.02856	0.5
122.02728	0.8
127.03928	1.4
128.07076	0.5
131.04971	0.6
137.06076	0.6
140.07094	0.6
149.02359	1.4
149.94554	0.6
151.03931	0.8
153.01849	5.8
153.05528	0.4
163.04001	0.7
167.03412	1.0
167.07016	2.7
176.79210	0.6
178.08801	0.6
186.05734	1.3
187.06047	1.1
195.02881	2.6
243.11169	0.8
245.08139	1.2
247.06213	0.6
271.05945	0.6
271.10745	1.1
289.11819	0.9
303.08701	0.7
313.11789	1.1
319.12903	1.0
331.08548	1.1
331.12839	2.2
349.12610	100.0
350.12921	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0919
Annotation	Dihydrosyringetin
Peak:m/z	Relative Intensity
55.01859	1.3
62.61181	1.2
65.03938	2.7
65.87599	0.9
67.01855	2.2
68.99780	4.1
69.03429	3.0
69.07053	1.4
69.90625	4.8
70.06612	1.4
71.04996	0.9
72.47011	1.0
78.04700	1.4
79.05490	4.0
81.03444	1.8
81.07057	2.7
83.04949	1.1
85.02892	1.7
86.06123	1.1
91.05470	2.0
92.59457	1.1
95.04968	4.5
96.63017	1.2
107.04955	10.9
107.08554	1.1
111.00810	1.6
111.04446	6.3
119.04946	2.0
121.02863	7.9
123.04446	13.4
123.11663	1.0
124.05207	2.4
127.03922	1.5
133.02829	1.4
133.10072	1.3
135.04413	9.7
137.05952	1.8
139.03918	7.7
140.04668	4.8
141.07025	1.1
147.04402	2.0
149.02359	32.5
151.03905	3.1
151.11241	1.3
152.04678	7.7
153.01833	100.0
153.05443	7.7
154.02620	1.2
155.07039	6.4
159.04433	1.2
163.03925	14.3
164.07153	1.2
167.03406	16.1
167.07045	83.1
169.06516	2.4
169.12206	1.2
172.05029	1.0
179.07034	1.5
191.03459	5.2
195.02902	78.7
195.06541	6.7
197.05966	2.0
203.05373	1.7
206.65047	1.0
213.05493	2.0
214.02612	1.4
215.05174	1.3
215.06943	7.7
219.06517	1.3
221.09361	1.2
223.05980	12.9
225.05435	1.5
228.04129	4.1
228.06140	1.1
229.04948	2.3
232.03647	1.7
234.98987	2.7
241.04962	2.4
241.36642	1.1
242.05765	4.4
243.06458	5.0
247.06015	15.3
253.05011	1.7
254.63058	1.1
256.03708	1.5
259.06161	1.2
270.05093	1.5
271.06012	13.1
272.06802	2.6
273.03912	1.3
275.09174	16.2
284.03171	1.2
288.06165	1.6
298.04834	1.3
299.05551	2.4
302.07956	2.0
303.08630	47.4
305.14816	1.3
316.05722	1.9
317.11087	1.5
322.93298	1.0
331.08167	28.2
331.12433	2.7
349.09238	6.0
349.13925	2.5
349.20566	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0898
Annotation	Pibocin B
Peak:m/z	Relative Intensity
50.41895	2.8
55.35246	3.2
56.96561	7.6
61.02904	3.1
69.03406	7.5
70.93951	7.1
70.98084	4.5
72.08138	3.9
72.80350	2.7
81.03418	3.6
81.07064	6.9
83.08653	4.0
84.04529	7.2
84.96051	4.4
85.02901	22.6
85.06519	3.2
91.05508	4.9
93.07024	3.6
97.02895	10.1
97.06528	5.1
98.97581	25.9
101.00906	3.7
102.05580	3.5
105.07060	3.6
109.02879	3.8
110.97573	14.4
112.99100	4.3
116.98653	8.9
123.11766	3.7
126.09183	3.7
127.03865	3.6
128.98639	6.0
129.10213	4.1
130.06534	13.3
131.00143	3.6
139.03882	12.4
140.98689	3.2
141.10243	9.5
142.91458	3.2
143.00166	3.4
143.01883	8.2
145.01721	10.1
146.03816	5.9
147.04427	11.6
148.06079	4.3
157.07639	5.9
158.99664	4.0
161.02965	7.9
167.06996	5.3
169.09758	13.3
170.99605	4.7
185.07100	4.6
187.10789	19.8
201.00716	6.4
219.01764	27.8
219.09837	5.9
220.08267	3.4
220.11821	3.6
234.99121	3.6
237.02835	38.1
240.10091	4.1
257.09299	4.4
260.10306	5.8
272.10065	6.0
289.06049	17.7
290.11389	6.7
303.13593	3.4
307.06985	14.9
307.12534	8.2
314.10330	6.2
349.08914	100.0
349.14563	65.7
349.18185	3.1
367.09003	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	349.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17062	3.8
55.01864	6.8
56.05029	4.6
56.96571	24.9
57.03431	12.2
61.02934	25.0
68.09328	4.2
69.03426	37.4
69.32607	10.8
69.33023	21.8
70.06585	4.3
70.98109	4.2
71.04971	5.0
73.02912	12.7
81.03417	10.6
82.99837	9.5
84.96024	5.3
85.02905	72.3
87.04442	9.4
93.72430	4.1
97.02905	31.5
98.03217	4.2
98.20786	9.2
98.97593	77.3
99.04445	7.0
101.00883	83.4
109.02882	10.6
110.97564	15.8
112.99154	8.7
113.00876	40.4
115.02452	13.5
116.98619	19.5
119.01923	69.2
119.04919	5.0
124.99146	5.0
127.02428	8.9
127.03918	24.2
128.98613	11.0
131.00227	5.5
131.01909	61.5
133.03476	20.3
134.02338	6.6
137.05989	5.5
139.02409	5.5
143.00148	11.8
143.01894	47.5
144.99854	5.3
145.01718	17.4
145.03452	19.7
145.04979	10.2
147.04324	6.1
148.03827	7.0
148.54126	4.5
149.02779	5.0
155.01912	18.9
157.03473	13.4
158.99648	17.1
161.01109	5.5
161.02963	24.8
162.03601	4.8
163.02768	11.3
163.04407	7.4
168.99850	36.5
169.03416	5.2
171.05185	4.7
172.94449	5.5
173.01537	4.0
173.02982	26.0
173.04477	5.6
174.99069	6.2
175.02783	5.3
175.04486	11.8
177.00743	12.1
177.04179	6.4
178.04918	7.5
179.02174	5.9
180.99796	8.6
185.02969	9.6
186.04671	10.5
187.00914	33.2
187.04491	13.8
187.08113	11.7
191.02188	5.0
191.03925	8.1
196.99390	30.4
199.00847	10.8
199.08147	11.0
201.00824	7.4
201.02509	5.9
203.04037	9.5
205.01810	5.1
205.03690	10.5
213.02455	7.1
215.00383	78.7
217.05594	7.8
219.01761	19.5
221.05087	9.7
223.01022	4.6
223.04643	6.4
228.03835	7.8
229.01945	48.3
231.03473	10.0
233.03389	4.7
235.06618	10.3
237.02773	10.7
241.01857	5.8
245.05133	12.7
247.03017	100.0
251.04276	6.2
251.07796	7.3
251.58308	14.0
252.06627	6.4
252.08815	6.1
259.02921	17.4
259.07690	15.1
265.07724	12.2
267.57516	14.5
269.05408	10.2
271.06784	5.2
289.04138	29.0
289.11212	19.6
305.10733	5.0
307.05130	4.9
307.08722	8.9
307.12286	16.5
317.03690	6.2
349.05307	21.6
349.09219	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.3
55.00608	2.6
55.01868	6.9
55.05513	34.4
55.29964	2.9
55.98411	2.9
56.96557	4.4
57.03436	8.9
57.07079	4.2
65.03962	3.5
67.05509	86.8
69.03430	3.4
69.07071	24.8
71.05058	9.2
71.08628	11.4
78.88281	2.9
79.05482	26.9
79.83194	2.9
81.03422	5.2
81.07069	61.2
83.04984	9.3
83.08629	24.2
84.04536	2.7
85.02937	3.9
85.06538	3.5
86.73169	3.0
91.05498	20.6
93.07041	43.2
95.04964	7.2
95.08610	23.0
96.91343	2.7
97.06524	8.7
97.10165	25.4
99.08109	13.7
105.07036	18.3
107.04987	4.2
107.08598	30.0
109.06519	8.0
109.10158	57.4
109.86983	3.0
111.08115	9.6
117.07029	9.7
119.08581	17.1
121.10154	11.5
123.11695	6.6
125.09646	18.4
131.08606	14.1
133.10156	16.6
135.11673	14.8
137.09644	5.3
145.10100	8.3
147.11708	10.4
149.09604	3.1
149.13240	21.8
151.11198	13.6
155.10678	19.3
159.11728	10.0
161.13260	6.5
163.11140	7.1
171.10228	3.5
173.11751	100.0
177.12704	8.8
179.14326	6.2
189.11278	21.4
193.12241	4.0
195.13828	50.6
197.13232	3.1
213.14867	31.9
241.19551	3.4
256.89108	3.3
259.20560	4.7
275.20074	6.3
277.21613	42.0
295.22699	25.7
316.19238	3.5
348.22110	5.1
349.19821	9.9
349.23798	11.6
351.74088	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	348.2745
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
53.03960	1.1
55.05515	2.6
55.28061	0.6
56.05047	3.9
60.04529	100.0
61.34869	0.6
67.05506	9.9
69.07072	2.9
69.68646	4.0
70.06602	2.1
71.04990	1.7
72.04517	1.7
74.06083	2.5
79.05503	8.3
80.05035	1.6
81.07056	13.0
81.67974	0.6
82.06588	2.3
83.04996	1.0
83.08620	1.5
84.04478	0.9
84.08176	0.7
85.06535	1.4
86.06081	0.9
90.05554	1.4
91.05488	7.4
93.07046	7.4
94.06579	1.6
95.04975	1.5
95.08611	8.9
96.08137	1.2
97.06537	0.9
98.06036	0.6
99.04463	2.6
99.99391	0.7
100.11251	0.7
102.05556	0.7
105.07024	4.3
107.08597	4.9
109.06512	0.7
109.10188	4.1
109.10818	0.8
116.07084	1.0
117.07034	1.9
119.08570	3.7
120.08156	0.9
121.10133	4.2
123.08086	0.8
123.11745	1.3
125.09607	0.8
129.07018	1.6
131.08580	2.6
133.10133	3.7
135.11725	2.9
136.06204	5.4
136.07590	0.8
136.11287	0.8
137.13336	0.7
143.08585	1.0
145.10168	2.5
147.11693	2.3
149.09624	0.7
151.11252	0.8
157.10182	0.7
161.13235	1.5
169.12315	0.9
171.11676	0.9
175.07906	0.8
175.14767	1.0
184.06921	0.9
185.13258	1.2
197.29059	0.7
227.16354	1.8
264.23376	0.7
270.24390	0.8
276.23245	3.9
294.24301	5.3
312.25378	9.2
330.26389	33.6
331.26700	0.7
348.20349	4.8
348.27444	97.1
349.27747	0.7
360.56903	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2534
Annotation	Dictysine
Peak:m/z	Relative Intensity
53.03942	1.3
55.05517	8.3
56.05026	2.9
56.47757	1.0
60.04523	5.3
67.05506	15.2
69.06728	1.2
69.07075	10.2
69.70248	2.0
69.70653	3.8
73.64533	0.9
79.05499	16.4
81.03402	0.9
81.07064	31.8
82.06567	1.8
83.04996	1.2
83.08614	3.7
85.06551	1.8
91.05490	25.3
93.07056	14.8
94.06572	6.3
95.04979	2.4
95.07343	1.9
95.08615	16.2
96.08125	1.2
97.06553	1.3
97.10178	1.3
105.07038	32.5
107.04997	1.0
107.08614	8.4
108.08093	4.6
109.06519	1.2
109.10167	4.5
110.09728	0.9
111.08096	1.5
117.07038	5.9
119.07813	2.0
119.08595	25.5
120.08094	1.7
121.10160	6.0
122.09676	2.4
123.08060	9.0
123.11694	1.3
129.07022	1.4
131.08549	9.8
133.10138	21.9
134.09639	1.0
134.53336	1.0
135.08057	2.3
135.11731	2.8
136.07542	2.5
136.11200	2.0
137.09625	1.8
143.08585	1.3
145.10114	10.6
147.10620	1.8
147.11699	14.8
149.09622	1.1
149.13358	1.4
150.09131	1.0
150.12753	1.9
151.09918	1.0
157.10159	3.0
159.11719	8.5
161.13200	4.7
162.12788	2.4
163.11185	3.5
169.10149	1.5
171.11688	1.7
173.13242	4.1
177.12790	3.7
179.14323	3.3
180.39137	0.9
183.11725	1.9
187.11162	1.4
187.14876	1.3
197.13379	1.8
204.13928	1.3
212.16467	1.3
213.16364	1.0
226.17999	1.1
236.16301	1.5
238.18056	1.7
239.17975	3.6
257.19070	6.8
274.21591	5.7
275.20166	2.4
288.23242	1.2
289.21649	41.2
293.21228	2.2
306.24289	31.1
316.22708	7.9
348.25363	100.0
349.27451	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	348.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
57.03459	0.4
57.36491	0.3
57.66021	0.3
57.73960	0.3
60.04528	1.7
60.04790	0.4
67.05513	2.6
67.70615	0.3
69.03424	0.5
69.07069	1.1
71.52842	0.7
72.08128	0.5
79.05492	1.5
81.03414	0.6
81.07057	3.0
83.04971	0.7
83.08601	0.5
84.04517	1.4
85.02894	0.9
91.05476	1.4
93.07039	2.2
94.04077	0.7
95.04962	0.5
95.08616	0.8
97.02850	0.7
97.06547	0.5
99.04478	0.4
105.07037	0.6
107.08596	1.3
109.02905	0.6
109.05141	0.3
109.10210	0.5
119.03561	2.1
119.08509	0.4
120.08203	0.4
120.33249	0.3
121.06411	0.4
121.10168	0.4
126.05540	0.4
126.48434	0.4
129.06979	0.4
133.10141	0.6
135.08116	0.4
136.06197	100.0
137.04591	0.9
138.05156	0.3
145.10027	0.4
149.13318	0.6
152.05690	1.2
160.11995	0.4
174.07791	0.3
213.08743	0.4
228.11044	0.3
286.16754	0.6
286.20029	0.6
306.75546	0.4
312.13184	0.4
330.19272	6.1
330.26389	0.9
348.20322	55.9
349.20605	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41335	0.2
55.05504	0.7
57.03432	0.5
60.04520	0.8
65.00457	0.2
67.05507	1.2
67.57268	0.2
69.07077	0.7
70.03212	1.1
71.04992	0.3
72.08164	0.2
79.05495	1.0
81.03422	0.3
81.07070	2.3
83.05003	0.3
83.08619	0.3
84.04505	0.3
85.02895	0.5
85.06546	0.4
89.08507	0.2
91.05476	1.6
93.07049	1.3
93.34969	0.2
94.04042	0.5
95.04959	0.4
95.08613	0.8
97.02927	0.2
97.06526	0.6
100.07615	0.2
100.11310	0.2
105.07024	0.4
105.47368	0.2
107.08591	0.8
109.05198	0.2
109.06508	0.3
109.10162	0.3
111.08072	0.3
119.03563	2.2
121.06473	0.3
121.10200	0.4
131.08551	0.4
131.21635	0.2
133.10141	0.5
135.11725	0.3
136.06194	100.0
137.04590	1.3
143.08537	0.3
149.13242	0.4
152.05669	0.7
159.11678	0.5
168.99498	0.3
234.14824	0.3
286.16626	0.7
286.19864	0.4
304.17654	0.4
330.19263	6.0
330.26224	0.4
348.20325	52.1
349.12573	0.3
349.20752	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.2
55.05486	0.6
56.61950	0.5
57.03436	2.5
59.13089	0.7
59.43663	0.5
61.02935	2.7
69.03429	4.5
70.06578	0.6
70.74489	1.7
71.13804	0.6
73.02911	1.7
81.03409	2.3
81.07064	1.4
81.65365	0.5
83.72421	0.7
84.04505	2.0
84.08166	0.8
85.02912	21.4
86.09721	1.3
91.03961	1.1
91.05489	14.2
95.04970	2.3
97.02900	6.0
99.04452	1.3
107.08589	0.7
109.02885	1.6
109.03638	0.5
115.03940	0.7
119.04959	11.8
122.02721	1.1
127.03921	3.9
131.08568	0.6
136.05241	1.2
136.06166	1.4
137.06006	1.6
145.04959	3.8
147.04379	0.8
151.07555	100.0
157.21065	0.7
163.05983	1.0
165.09114	1.8
169.08614	12.2
175.07524	0.9
180.08713	1.6
181.08568	0.9
181.21872	0.6
186.05766	0.6
193.08632	2.1
202.08922	1.1
259.09589	1.1
277.10760	1.6
348.13467	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	348.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.9
56.05019	0.8
56.96564	2.2
57.03421	2.0
57.07059	0.7
57.31591	0.6
60.62550	0.6
61.02926	1.4
67.05491	1.1
69.03435	4.9
69.07066	0.9
70.06592	1.5
70.23711	2.4
71.04973	0.8
72.08167	1.1
73.02914	2.3
79.05482	1.0
81.03420	2.7
84.04488	2.8
84.08142	3.1
84.95979	0.8
85.02909	11.5
85.06551	5.5
86.09696	2.7
87.04450	0.9
91.05466	1.0
94.06567	6.3
95.04980	1.0
97.02878	4.8
98.06050	0.8
98.97586	4.7
99.04444	0.8
101.00893	1.6
102.05511	0.9
102.09184	4.1
107.04951	1.0
109.02863	1.2
110.97581	1.7
112.07568	0.8
113.00819	0.9
113.59808	0.7
115.03975	0.7
119.01898	2.4
119.02727	0.8
119.04936	1.3
121.06509	2.0
122.06039	67.8
122.16511	0.7
123.04416	1.2
127.03901	2.7
128.98637	1.1
129.10245	0.9
130.04991	1.0
130.08633	1.5
131.01920	1.3
132.10222	1.1
136.06189	5.2
137.06003	1.6
140.07080	1.2
143.01907	1.9
144.02017	1.2
145.03447	0.9
145.04924	1.9
147.04364	3.2
149.05963	1.7
150.05518	64.2
155.01884	1.2
161.02969	1.6
167.07042	12.9
168.06572	100.0
171.05162	1.2
173.12880	0.8
177.05481	4.4
180.15414	0.8
186.06261	2.3
186.07632	43.9
187.04672	0.7
188.07800	1.4
190.07452	1.2
203.09332	0.9
204.04170	1.0
204.07210	1.7
209.08130	2.5
210.06259	1.4
218.15131	1.1
219.01736	1.4
219.13361	4.0
227.09154	5.5
228.07245	2.7
245.04907	1.5
246.08286	3.1
247.03050	0.7
248.08023	1.6
257.05353	0.8
258.05624	1.0
258.08524	1.0
267.06458	1.1
288.09216	2.2
348.07095	0.8
348.12814	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	347.1677
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
69.42040	1.6
69.42448	0.8
75.53387	0.3
79.38232	0.4
80.48204	0.4
81.07054	0.6
85.02922	0.4
88.73183	0.3
93.07041	0.6
94.33414	0.4
95.08590	0.4
97.06483	0.6
98.97588	1.3
103.42861	0.3
107.08609	0.6
185.11459	1.8
216.10094	1.1
224.60233	0.5
235.33478	0.4
240.75876	0.5
311.10266	1.1
329.11298	1.3
347.16772	100.0
348.17090	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2195
Annotation	Cortexolone
Peak:m/z	Relative Intensity
55.05507	1.4
56.05028	1.6
56.16459	0.6
57.07067	1.7
60.04519	0.8
67.05505	0.9
70.19980	3.3
70.86723	0.7
74.06086	1.2
79.05495	0.8
80.90473	0.7
81.07067	1.5
83.08629	1.5
88.07655	4.1
89.07951	1.1
91.05479	1.0
93.07082	1.0
95.04982	0.9
95.08609	1.7
105.07063	0.8
115.92906	0.7
119.08508	0.7
122.08170	1.2
123.12378	0.7
174.05441	0.9
224.65585	0.8
249.14494	1.0
285.29749	1.1
299.31476	4.0
329.20969	1.0
347.21951	100.0
347.33459	19.9
347.77747	0.8
348.22034	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.4
55.01867	7.4
55.05514	100.0
56.05030	2.3
57.03439	10.0
59.05000	1.9
61.02901	2.9
69.03436	25.4
69.94233	4.9
70.02971	2.1
70.06573	3.5
71.01353	2.1
71.05003	3.4
72.08155	5.7
73.02918	4.2
79.05498	2.1
81.03414	5.1
81.07058	6.1
83.08625	67.1
84.04493	3.6
84.08162	2.1
85.02911	34.5
85.48302	1.7
85.76311	2.0
86.09727	3.7
87.00832	16.2
87.04476	4.9
88.04006	1.7
91.05475	4.4
93.07027	3.1
94.51091	2.3
97.02894	29.2
97.06521	2.4
98.09699	2.4
98.97572	2.0
99.04443	5.1
99.08118	1.9
101.09662	5.9
105.01878	12.3
105.07027	4.4
106.07360	2.4
107.04961	2.2
109.02893	3.9
109.06510	2.6
111.08108	1.9
114.74187	1.7
115.03938	46.4
121.06525	2.3
121.10146	2.4
122.02725	4.9
123.04465	2.4
123.08027	2.1
124.95523	1.9
125.02368	10.3
127.03944	8.5
132.68211	2.0
133.04973	10.5
137.06009	2.1
141.10222	12.7
145.05011	4.1
146.04445	2.6
147.04427	4.2
147.07997	2.9
148.04790	1.9
148.08441	2.9
149.05957	3.1
151.07539	4.1
153.05522	1.8
156.02893	2.4
161.04457	22.7
167.07091	2.7
167.10728	4.7
185.07954	2.6
185.11737	3.0
201.03929	5.1
207.10139	3.6
208.10522	9.4
219.05025	6.2
231.06210	2.8
247.04445	5.4
258.08844	5.3
272.10437	7.2
273.11154	4.3
273.39474	2.4
311.11414	2.5
347.13162	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	347.1315
Annotation	Nordercitin
Peak:m/z	Relative Intensity
55.01870	0.5
55.05526	2.1
57.03422	0.5
69.03413	1.1
70.06572	0.6
71.17177	0.6
72.08152	0.4
79.05492	0.5
81.07064	1.0
83.08614	0.8
84.04498	0.4
84.08138	0.9
85.02900	3.0
86.09723	1.2
91.05469	1.4
97.02883	1.1
97.06529	0.4
99.04452	0.8
107.08620	2.0
109.02865	0.5
115.03931	0.5
120.08194	0.5
121.06486	0.4
121.10134	0.9
123.04412	0.5
123.08053	0.4
127.03903	1.1
129.10292	0.5
130.29549	0.4
145.04929	0.5
151.07550	4.2
167.06979	1.3
167.10638	2.5
181.06311	0.4
184.05984	0.4
185.08008	2.2
231.37990	0.4
258.08963	0.6
272.10529	1.1
287.11102	0.9
347.13126	100.0
348.13373	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0761
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
53.00330	0.1
55.01863	0.2
60.04505	0.2
62.79335	0.1
63.69331	0.1
64.74504	0.1
65.03930	0.4
66.04729	0.1
67.00630	0.2
67.05496	0.2
68.99784	1.1
69.03413	0.5
69.77013	0.4
69.77427	0.2
79.05479	0.6
81.07032	0.3
82.28707	0.1
85.02883	0.3
85.06516	0.2
91.05466	0.2
92.02525	0.1
93.03374	0.3
93.07034	0.2
95.04956	0.1
97.02897	0.3
98.20839	0.2
105.03373	0.7
106.04123	0.3
107.04942	0.6
108.02062	0.2
109.02878	0.6
109.10152	0.2
110.03666	0.2
111.00809	0.9
111.04434	0.4
113.13421	0.1
115.05495	0.2
116.97326	0.1
119.04982	0.2
119.08581	0.2
120.02067	0.2
121.02855	1.6
123.04480	0.3
125.05959	0.3
126.03111	0.3
129.06975	0.3
130.42905	0.1
133.02840	0.6
133.06471	0.1
134.03645	0.2
135.04427	0.5
137.02341	1.9
137.05934	0.2
138.03113	0.4
139.03902	5.7
145.06491	0.4
147.04396	0.6
148.01596	0.2
149.02386	0.4
150.03110	1.1
151.03893	0.5
152.01036	0.3
152.04716	0.2
153.01833	12.3
153.05458	6.3
153.07346	0.2
154.06268	1.0
155.04890	0.2
157.06477	0.5
161.02312	0.2
161.06003	0.2
163.03865	0.6
165.01845	4.2
166.02615	0.3
167.07024	0.3
168.18396	0.1
171.04456	0.2
173.05991	0.2
175.03941	0.2
175.07498	0.1
177.01810	0.2
177.05484	0.2
178.02629	0.6
179.03394	0.3
181.04958	2.5
183.02884	1.1
183.04291	0.2
184.05138	0.2
185.05951	0.6
185.15363	0.2
187.03928	0.2
188.04686	0.3
189.01729	0.2
189.05392	0.2
192.04193	0.1
193.01266	0.2
193.04897	0.2
194.02109	0.3
195.02902	0.2
199.03818	0.3
200.04640	0.2
201.05443	0.9
202.06357	0.2
203.03406	0.5
203.07008	0.3
205.04982	0.4
207.02934	0.3
207.06523	1.4
208.03777	0.1
212.04703	0.2
213.05470	1.7
214.48241	0.1
215.03374	0.3
216.04237	1.5
217.04926	0.5
219.02911	0.5
219.06586	0.2
220.03613	0.1
227.03471	0.3
228.04185	0.4
229.02893	0.2
229.04985	3.7
230.05742	1.7
231.03038	0.1
231.06517	1.3
232.03659	0.3
233.04462	0.6
241.04935	1.3
243.02902	1.5
243.06519	0.1
244.03690	3.0
245.04378	0.8
247.02431	0.2
247.06009	0.2
255.02934	0.9
256.03763	0.4
257.04471	2.7
258.05252	9.2
259.06015	3.6
261.04007	1.0
268.03656	0.3
269.04440	2.5
271.02560	0.2
271.06033	0.2
272.03116	1.1
273.03915	0.7
274.04803	0.3
275.05539	0.3
283.02411	1.0
284.03247	0.8
285.03964	3.4
285.07068	0.3
286.04724	8.5
287.05499	13.4
288.05881	0.2
289.03421	1.7
291.08633	2.0
296.03378	0.2
297.03934	0.5
300.02628	0.6
301.03397	0.8
301.06296	0.1
302.04077	0.7
303.04993	5.3
304.05780	0.4
313.03516	1.5
314.04224	2.2
315.04953	4.3
316.05750	0.5
317.02844	0.7
318.03772	0.3
318.07281	0.6
331.04468	8.4
332.05240	3.2
347.07605	100.0
348.08051	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0763
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
53.03952	0.2
55.01870	0.1
60.04509	0.2
63.03212	0.1
65.03944	0.3
67.01857	0.2
67.05514	0.1
68.99792	1.1
69.03425	0.3
69.07048	0.1
70.76701	0.2
70.77034	0.2
79.05497	0.5
81.03416	0.4
91.05450	0.3
92.02608	0.2
93.03419	0.4
93.07044	0.2
94.04205	0.1
95.04990	0.3
97.02906	0.2
105.03398	1.0
106.04182	0.2
107.04958	0.5
107.08578	0.1
108.02113	0.1
109.02914	0.6
109.06487	0.1
110.03620	0.2
111.00815	0.7
111.04427	0.3
117.07015	0.1
120.02071	0.1
121.02875	1.7
123.04420	0.3
124.01596	0.2
125.06031	0.2
126.03132	0.3
127.16936	0.1
128.06306	0.1
129.06998	0.2
133.02837	0.4
134.03618	0.2
135.04408	0.4
137.02344	2.2
138.03130	0.3
139.03912	5.8
145.02939	0.2
145.06512	0.4
147.04398	0.5
149.02350	0.3
150.03123	1.0
151.03908	0.5
152.01013	0.2
152.04695	0.2
153.01840	13.1
153.05467	6.3
154.06261	1.1
157.06474	0.4
161.05956	0.3
162.03143	0.2
163.03914	0.7
165.01849	4.3
166.02625	0.3
167.07027	0.3
169.06468	0.1
171.03006	0.1
171.04442	0.3
173.06012	0.4
175.03879	0.2
175.07567	0.1
177.01819	0.1
177.05568	0.1
178.02621	0.8
179.03452	0.2
180.04124	0.1
181.04950	2.8
183.02946	1.4
183.04372	0.2
184.05235	0.2
185.05971	0.6
187.03928	0.4
188.04681	0.2
189.05415	0.3
191.03438	0.2
192.04163	0.3
193.01382	0.2
193.04980	0.1
194.02155	0.7
195.02960	0.2
199.03952	0.3
200.04651	0.3
201.05486	0.8
202.06351	0.2
203.03426	0.5
203.07011	0.3
204.04257	0.2
205.04990	0.3
207.02919	0.4
207.06526	1.6
209.00833	0.2
212.04713	0.3
213.05496	1.6
215.03506	0.3
216.04181	1.6
217.04988	0.4
219.02942	0.6
220.03796	0.2
221.04401	0.2
224.03236	0.1
227.03423	0.4
228.04187	0.4
229.05003	3.6
230.05725	1.9
231.06531	1.6
232.03639	0.4
233.04532	0.6
241.05048	1.3
243.02924	1.6
244.03705	2.7
245.04488	0.8
246.05351	0.1
247.02446	0.3
247.05936	0.3
255.02969	1.0
256.03723	0.2
257.04453	2.9
258.05270	8.9
259.06033	4.4
260.03287	0.2
261.03934	0.9
268.03708	0.3
269.04465	2.6
271.02582	0.2
271.05823	0.2
272.03156	0.9
273.03973	0.7
274.04889	0.2
275.05429	0.3
283.02408	0.8
284.03140	0.9
285.03964	2.8
286.04733	8.5
287.05521	13.0
288.06097	0.1
289.03430	1.8
291.08621	2.4
296.03058	0.2
297.03812	0.5
300.02670	0.8
301.03561	0.8
302.04352	0.7
303.05029	5.6
304.05612	0.4
313.03448	1.7
314.04208	2.1
315.04996	4.3
315.08673	0.3
316.05795	0.5
317.02896	0.8
318.03708	0.2
318.07339	0.9
329.02734	0.1
331.04495	8.9
332.05295	2.9
347.07623	100.0
348.08017	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0742
Annotation	Cassipourine
Peak:m/z	Relative Intensity
54.59970	3.1
55.33990	3.1
56.96572	4.8
57.03442	4.9
61.02940	4.6
69.03436	14.6
71.05010	4.7
71.53091	5.1
73.02925	7.1
81.03433	4.5
81.19804	3.6
82.06457	3.0
85.02911	28.0
87.04432	4.0
94.01077	2.9
97.02895	13.8
97.77111	2.9
98.97599	10.1
99.04474	3.3
101.00895	3.9
102.06286	3.0
105.40855	3.1
110.97603	4.8
119.01900	4.1
122.00343	3.2
127.03928	12.8
139.20441	3.2
143.01889	5.6
144.10231	30.2
145.04990	6.1
161.03052	7.7
176.03606	4.6
176.05087	7.3
185.05701	6.2
201.00853	4.9
203.03952	3.9
204.12367	11.6
219.01770	4.6
245.05066	3.7
249.97241	3.7
266.06168	4.6
266.08771	6.5
347.07370	100.0
347.13538	5.2
351.10382	3.9
355.43518	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62236	2.3
55.01873	3.2
56.05041	2.9
56.96572	27.0
57.03444	6.4
59.04999	2.9
59.07840	2.2
61.02923	8.5
65.62580	2.3
69.03434	20.1
70.68942	2.6
70.69250	4.3
71.05004	3.8
72.08170	4.5
73.02932	3.5
81.03420	7.4
84.08158	4.1
84.96041	6.9
85.02916	33.4
86.09724	5.0
86.97577	2.6
91.04005	3.0
97.02869	15.6
98.97591	57.6
98.98198	3.9
99.04446	4.5
100.99131	2.9
101.00878	8.0
109.02872	4.5
110.97602	27.6
112.07625	3.5
112.99155	7.8
115.02471	2.4
116.98650	10.2
117.03963	2.6
118.13208	2.7
119.01917	7.2
124.99139	3.5
127.02521	2.4
127.03915	12.1
128.98639	12.6
129.10260	4.2
129.46419	2.4
130.08685	2.7
131.00188	5.8
131.01947	5.3
133.03479	3.2
138.83194	2.6
140.98651	6.9
143.00200	7.9
143.01897	9.4
145.03464	4.1
145.04967	7.6
146.99625	3.4
147.04448	3.7
155.01889	6.0
157.03645	2.8
158.99658	17.4
161.01263	4.6
161.02980	9.8
163.02808	3.6
166.08662	6.4
167.07048	2.8
167.09077	4.1
170.99706	6.9
173.01329	6.1
173.03000	7.3
175.02783	4.4
175.04489	4.2
176.05200	7.2
177.00766	10.7
177.02504	6.9
182.99672	2.9
184.04855	4.4
184.09819	2.5
185.01338	3.9
187.01044	3.3
188.97142	3.1
189.00790	4.5
189.02385	2.5
191.02393	2.8
191.04175	2.6
201.00723	12.6
201.02480	10.5
203.02362	5.0
203.04065	5.9
205.02112	3.0
207.01788	3.3
215.04054	2.7
215.13919	5.4
219.01755	44.8
219.03546	5.9
227.00481	6.5
228.05698	5.7
237.02834	28.2
245.01318	3.4
245.05191	4.0
255.68480	2.9
256.07083	3.0
257.06888	7.9
261.02985	7.3
266.08496	7.8
273.03027	7.6
275.04449	3.8
287.02478	6.3
303.03979	8.5
305.10681	2.9
317.05545	10.9
321.04947	7.3
323.08768	2.8
335.06503	7.7
338.09344	3.6
347.07355	100.0
347.15421	10.1
365.07462	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	346.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99481	0.8
53.03946	2.0
53.89105	0.8
55.05503	3.1
57.03453	1.8
58.06594	1.1
59.94373	0.9
60.04535	10.1
61.02919	3.4
65.39404	0.8
67.05486	2.9
67.15283	0.8
69.03433	7.6
69.22902	6.9
69.23306	1.7
70.06586	1.8
71.04976	1.9
72.04514	1.7
72.08162	4.6
73.02919	1.7
74.21435	1.0
75.92003	1.2
79.05482	1.5
81.03424	4.8
81.07066	2.0
82.06587	1.3
83.04980	1.4
84.04473	1.4
84.08111	1.2
85.02911	34.2
86.09707	4.4
87.04468	1.6
88.03960	1.0
91.03951	2.4
91.05478	3.7
93.07053	1.9
95.04961	0.9
95.08575	2.0
96.08083	1.0
97.02892	8.7
98.97563	1.0
99.04436	1.8
102.05550	1.1
105.07042	1.3
107.04963	100.0
107.08575	1.9
108.05256	1.2
109.02896	2.6
109.06487	1.4
110.56091	1.1
115.08726	1.0
119.04950	1.3
121.06499	1.0
121.10171	1.7
122.02692	1.4
123.08062	1.0
127.03913	5.7
131.05014	1.3
131.08585	16.2
132.10332	1.3
133.10152	1.1
137.09578	1.0
145.04967	9.6
147.07933	0.9
149.05943	1.7
149.09634	38.2
157.06529	1.0
159.84486	0.9
163.06029	1.4
165.09085	1.5
165.12816	1.0
167.06976	1.2
173.05968	3.2
180.08723	3.1
184.13356	3.3
185.09576	1.1
186.42142	1.0
187.10831	1.7
197.12836	1.1
207.13840	3.0
215.10574	4.1
229.01021	1.1
233.08063	1.3
233.11868	1.2
257.11829	2.4
293.14078	1.2
328.24594	2.0
346.15109	1.8
346.25931	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	346.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32895	0.3
53.03956	0.8
55.01863	1.1
55.05520	2.2
56.05025	0.5
57.03436	1.0
60.04507	0.7
61.02920	1.6
67.05502	0.4
68.92145	0.4
69.03439	4.7
69.81515	1.8
70.06567	0.5
71.04991	0.4
72.08152	0.5
73.02927	0.5
76.38820	0.4
79.05466	0.4
81.03425	1.9
81.07047	0.4
84.04495	1.3
85.02913	21.0
86.09713	2.2
87.04477	0.5
91.05473	0.7
93.07052	0.4
95.08614	0.5
95.89200	0.3
97.02888	3.8
97.21071	0.3
98.97590	0.8
99.04456	1.0
102.05573	0.6
104.86475	0.3
107.04964	100.0
108.05331	0.5
109.02910	1.8
115.03955	0.6
116.98655	0.4
124.48448	0.3
127.03931	3.2
129.72308	0.3
131.04948	1.2
131.08649	0.5
133.06464	0.3
137.05972	0.5
140.07083	0.5
145.04977	4.4
145.06480	1.1
146.11752	0.6
149.06018	1.2
149.09633	28.7
157.06421	0.5
163.06013	0.7
169.06537	0.6
171.08046	0.4
172.04057	0.5
173.01237	0.6
173.04488	0.5
173.05957	3.8
173.09489	0.5
180.08742	1.2
184.03772	0.4
185.09665	1.0
187.14441	1.8
197.09683	0.8
197.61276	0.4
203.06998	0.5
204.06685	0.6
205.06927	1.3
207.10287	0.5
215.07031	0.4
215.10715	2.8
215.13870	0.8
233.08180	0.9
233.11777	1.6
234.99197	0.4
244.99667	0.4
257.11716	0.8
275.12863	1.1
285.38138	0.3
346.09314	0.4
346.14276	0.6
346.25986	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65638	0.4
53.03944	1.1
55.01866	0.9
55.05498	2.0
57.03436	1.0
60.04515	0.5
61.02930	2.4
65.95319	0.4
69.03437	4.0
69.07049	0.6
69.41572	1.0
69.41968	3.0
71.04971	0.7
71.75480	0.4
73.02911	1.0
74.06091	0.6
76.89453	0.4
79.05466	0.4
81.03423	1.5
84.04518	0.5
85.02906	23.0
86.09691	1.5
87.04477	0.7
91.03946	0.7
97.02902	4.8
98.20841	1.1
99.04451	1.2
107.04958	100.0
109.02889	1.6
127.03935	3.8
131.04906	0.6
131.08583	0.8
132.03558	0.4
137.05968	0.6
137.35420	0.5
145.04959	3.4
145.06541	1.0
146.11736	0.6
147.08064	0.8
149.05992	1.3
149.09624	25.6
163.06093	0.8
173.06003	3.7
173.09454	1.3
180.08681	0.9
185.09615	0.7
187.14471	1.4
197.09668	1.2
201.00432	0.5
201.08730	0.7
207.13776	0.5
211.11304	0.8
215.10625	3.0
215.13994	0.6
233.08139	1.1
233.11816	1.7
239.10851	0.8
257.11703	0.9
275.12827	1.1
346.13837	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.05513	17.2
57.03436	1.7
57.07085	9.2
59.05000	2.7
65.36840	1.5
67.05505	20.1
68.79568	1.4
69.03434	3.0
69.07076	47.0
69.38725	9.9
71.05004	3.2
71.08639	2.7
73.06535	2.8
79.05492	12.5
81.07062	100.0
83.04984	1.6
83.08630	18.2
85.06552	14.5
91.05473	5.2
93.07052	29.0
93.07625	2.0
94.53867	1.4
95.04977	1.5
95.08615	73.8
97.06533	5.9
97.10166	5.8
98.21525	2.5
99.08107	8.0
101.06065	1.5
105.07029	7.1
107.08596	26.0
109.09475	2.5
109.10168	31.3
111.08092	18.1
111.11720	14.7
115.07613	1.5
119.08582	4.0
121.10146	14.0
123.11717	32.2
125.09638	2.0
125.13255	3.2
126.70432	1.4
127.11198	3.4
133.10124	2.9
135.11713	13.7
137.05986	2.7
137.09581	1.5
137.13264	29.0
143.14427	1.4
147.11676	4.2
149.13269	28.0
151.14821	2.0
153.12737	14.2
155.14302	6.1
163.14868	8.2
167.14319	5.6
171.13791	2.9
173.15382	3.5
181.15926	1.7
223.93797	1.7
236.47137	1.5
238.12492	1.6
263.87692	1.5
265.68430	1.6
273.25717	2.5
279.26755	7.0
291.26883	12.1
297.27869	2.5
304.06805	1.3
309.27921	18.0
313.10956	2.0
327.29199	3.8
345.09570	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	345.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.2
55.01871	0.3
55.05516	4.8
57.03444	1.6
57.07067	0.8
67.05509	5.3
69.03424	0.3
69.07075	7.8
70.06562	0.2
70.91810	0.2
71.04988	0.8
71.08605	0.2
71.54151	0.2
71.54544	0.2
79.05499	2.4
81.03413	0.3
81.07066	8.6
83.04958	0.7
83.08156	0.3
83.08627	4.8
85.02889	0.3
85.06535	0.5
91.05074	0.2
91.05484	1.9
93.07050	3.2
95.04939	0.3
95.08614	7.0
97.06529	0.9
97.09628	0.3
97.10178	3.4
98.97581	0.4
99.04438	0.2
99.08084	0.5
105.07049	1.6
107.04922	0.2
107.08598	1.8
109.02843	0.2
109.06507	0.4
109.10167	3.1
111.08063	0.5
111.11715	1.4
113.09633	0.3
115.07513	0.2
117.07010	0.2
119.04938	0.3
119.08578	1.6
121.06465	0.2
121.10149	2.5
122.03619	0.2
123.04414	0.7
123.08048	0.5
123.11735	1.2
125.09612	0.4
125.13243	0.3
131.04932	0.3
133.06499	0.5
133.10156	1.6
135.11691	2.8
137.05992	1.4
137.09599	0.6
137.13300	1.1
139.11172	0.7
145.06464	0.3
145.10101	0.3
147.04410	0.5
147.11708	1.2
149.13234	0.6
151.03923	0.2
151.11171	0.6
151.14806	0.4
152.04659	0.2
153.01817	1.5
153.05496	0.4
153.10374	0.1
153.12732	0.6
154.02548	0.2
157.10091	0.2
161.02376	0.3
161.06029	0.3
161.13301	1.3
163.07536	0.2
165.05505	1.3
165.12729	0.6
167.07053	2.0
175.07587	0.2
175.14813	0.3
179.07089	0.2
179.14320	0.5
181.74237	0.2
189.16496	0.2
191.06984	0.5
193.19470	0.3
202.73442	0.2
209.08130	0.3
213.05516	0.2
216.04120	0.2
217.19569	2.4
229.04996	1.0
230.05693	0.7
231.06372	0.2
235.20609	2.6
237.05388	0.2
241.05014	0.2
242.05757	1.1
243.06389	0.4
244.99818	0.2
253.04968	2.5
253.21729	0.9
254.05649	0.5
255.06540	22.5
256.07278	8.7
256.10046	0.4
257.04446	0.3
257.07718	0.3
258.05276	1.8
259.06042	0.3
267.10156	0.2
269.04434	1.0
269.07559	0.2
270.05215	0.3
271.05878	1.0
282.05438	0.2
283.06000	3.4
284.06805	10.3
285.03891	0.5
285.07327	0.5
286.04736	1.7
287.05521	4.3
288.06021	0.3
299.05521	24.0
300.05917	1.8
301.03433	2.1
301.07065	4.2
309.24350	1.7
311.05524	6.0
312.06296	2.0
313.03525	2.7
313.06970	0.4
313.10416	0.8
314.04086	0.5
315.04996	20.8
316.05444	1.5
327.05035	0.2
327.12381	0.3
327.25314	9.0
328.25739	0.2
329.06577	11.5
330.07193	1.8
345.09702	100.0
345.26273	4.4
346.10049	6.1
346.13217	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	345.2639
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
51.80510	1.7
51.98186	2.0
53.03953	2.4
54.10743	1.6
55.01870	2.5
55.05516	71.9
57.03442	25.5
57.07078	9.2
65.03927	2.5
66.95950	1.7
67.05511	71.6
69.03420	2.4
69.07072	83.9
69.45788	12.4
71.04993	6.8
71.08629	3.5
75.75233	1.6
79.05502	29.8
81.07064	100.0
83.04993	5.2
83.08627	52.2
85.06517	8.6
91.05489	21.1
93.07056	30.2
95.02359	1.9
95.04987	3.8
95.08614	96.9
97.06546	13.6
97.10180	38.4
98.21552	1.5
99.08098	5.6
105.07053	12.1
107.08596	19.8
109.06538	4.2
109.10168	40.3
109.10921	1.9
111.08085	9.1
111.11745	12.6
113.09637	2.4
119.08597	12.5
121.10162	31.9
123.08067	4.6
123.11723	15.6
125.09636	5.3
125.13301	2.3
133.10147	15.9
135.11708	27.7
137.05998	3.6
137.09613	7.4
137.13260	5.8
139.11172	7.4
147.11720	11.4
149.13292	8.8
151.11224	3.1
151.14877	4.1
153.12753	7.1
161.13281	13.7
163.14815	2.4
165.12779	6.7
175.14864	5.3
179.14360	2.3
217.19571	22.9
235.20605	27.6
253.21637	7.7
291.19739	2.1
309.24222	22.4
313.10461	2.0
327.25330	75.4
334.45880	2.4
345.09781	6.6
345.13712	2.6
345.26379	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	345.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.2
55.01871	0.3
55.05516	4.8
57.03444	1.6
57.07067	0.8
67.05509	5.3
69.03424	0.3
69.07075	7.8
70.06562	0.2
70.91810	0.2
71.04988	0.8
71.08605	0.2
71.54151	0.2
71.54544	0.2
79.05499	2.4
81.03413	0.3
81.07066	8.6
83.04958	0.7
83.08156	0.3
83.08627	4.8
85.02889	0.3
85.06535	0.5
91.05074	0.2
91.05484	1.9
93.07050	3.2
95.04939	0.3
95.08614	7.0
97.06529	0.9
97.09628	0.3
97.10178	3.4
98.97581	0.4
99.04438	0.2
99.08084	0.5
105.07049	1.6
107.04922	0.2
107.08598	1.8
109.02843	0.2
109.06507	0.4
109.10167	3.1
111.08063	0.5
111.11715	1.4
113.09633	0.3
115.07513	0.2
117.07010	0.2
119.04938	0.3
119.08578	1.6
121.06465	0.2
121.10149	2.5
122.03619	0.2
123.04414	0.7
123.08048	0.5
123.11735	1.2
125.09612	0.4
125.13243	0.3
131.04932	0.3
133.06499	0.5
133.10156	1.6
135.11691	2.8
137.05992	1.4
137.09599	0.6
137.13300	1.1
139.11172	0.7
145.06464	0.3
145.10101	0.3
147.04410	0.5
147.11708	1.2
149.13234	0.6
151.03923	0.2
151.11171	0.6
151.14806	0.4
152.04659	0.2
153.01817	1.5
153.05496	0.4
153.10374	0.1
153.12732	0.6
154.02548	0.2
157.10091	0.2
161.02376	0.3
161.06029	0.3
161.13301	1.3
163.07536	0.2
165.05505	1.3
165.12729	0.6
167.07053	2.0
175.07587	0.2
175.14813	0.3
179.07089	0.2
179.14320	0.5
181.74237	0.2
189.16496	0.2
191.06984	0.5
193.19470	0.3
202.73442	0.2
209.08130	0.3
213.05516	0.2
216.04120	0.2
217.19569	2.4
229.04996	1.0
230.05693	0.7
231.06372	0.2
235.20609	2.6
237.05388	0.2
241.05014	0.2
242.05757	1.1
243.06389	0.4
244.99818	0.2
253.04968	2.5
253.21729	0.9
254.05649	0.5
255.06540	22.5
256.07278	8.7
256.10046	0.4
257.04446	0.3
257.07718	0.3
258.05276	1.8
259.06042	0.3
267.10156	0.2
269.04434	1.0
269.07559	0.2
270.05215	0.3
271.05878	1.0
282.05438	0.2
283.06000	3.4
284.06805	10.3
285.03891	0.5
285.07327	0.5
286.04736	1.7
287.05521	4.3
288.06021	0.3
299.05521	24.0
300.05917	1.8
301.03433	2.1
301.07065	4.2
309.24350	1.7
311.05524	6.0
312.06296	2.0
313.03525	2.7
313.06970	0.4
313.10416	0.8
314.04086	0.5
315.04996	20.8
316.05444	1.5
327.05035	0.2
327.12381	0.3
327.25314	9.0
328.25739	0.2
329.06577	11.5
330.07193	1.8
345.09702	100.0
345.26273	4.4
346.10049	6.1
346.13217	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	345.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56682	2.3
53.03949	4.2
55.01863	6.5
55.05513	70.1
57.03440	17.6
57.07061	10.5
57.60330	2.4
66.58671	2.6
67.05507	71.7
68.37357	2.1
69.03432	4.1
69.07070	82.5
71.04990	7.8
71.08610	4.3
71.53436	2.6
71.53825	2.7
77.09872	2.4
79.05495	29.8
81.03419	3.2
81.07063	95.9
81.08369	2.3
83.04981	4.8
83.08624	55.1
85.02906	2.9
85.06538	6.4
88.95259	2.5
91.05476	23.4
93.07053	36.1
95.04964	3.4
95.08610	91.0
96.33827	2.3
97.06516	11.5
97.10168	32.7
98.97597	4.2
99.08104	5.5
105.07032	19.4
107.04914	2.9
107.08594	26.1
109.09476	3.0
109.10166	43.7
111.08057	3.4
111.11742	13.9
113.09708	2.9
117.07053	5.2
119.08591	21.4
121.10136	33.9
123.08055	6.9
123.11678	19.9
125.09618	7.1
125.13254	4.9
131.08585	3.5
133.10143	25.0
135.11693	29.7
137.05975	9.4
137.09650	5.4
137.13258	7.0
139.11168	6.7
145.06487	6.0
147.11682	11.8
149.13225	5.6
151.07475	2.6
151.11212	7.4
151.14796	5.8
152.07051	2.9
153.12730	6.4
157.10191	2.6
161.13272	13.9
165.12807	6.5
169.15578	2.6
173.11732	3.7
175.14799	5.2
179.14299	5.3
193.19545	3.4
217.19534	22.7
235.20607	25.5
244.99783	3.3
253.21701	8.2
271.16898	5.6
284.25159	2.5
309.24319	13.7
313.10739	5.4
320.13922	3.5
327.25320	100.0
345.09692	3.4
345.13443	5.2
345.20395	4.3
345.21927	4.0
345.26370	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	345.2636
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
50.56682	2.3
53.03949	4.2
55.01863	6.5
55.05513	70.1
57.03440	17.6
57.07061	10.5
57.60330	2.4
66.58671	2.6
67.05507	71.7
68.37357	2.1
69.03432	4.1
69.07070	82.5
71.04990	7.8
71.08610	4.3
71.53436	2.6
71.53825	2.7
77.09872	2.4
79.05495	29.8
81.03419	3.2
81.07063	95.9
81.08369	2.3
83.04981	4.8
83.08624	55.1
85.02906	2.9
85.06538	6.4
88.95259	2.5
91.05476	23.4
93.07053	36.1
95.04964	3.4
95.08610	91.0
96.33827	2.3
97.06516	11.5
97.10168	32.7
98.97597	4.2
99.08104	5.5
105.07032	19.4
107.04914	2.9
107.08594	26.1
109.09476	3.0
109.10166	43.7
111.08057	3.4
111.11742	13.9
113.09708	2.9
117.07053	5.2
119.08591	21.4
121.10136	33.9
123.08055	6.9
123.11678	19.9
125.09618	7.1
125.13254	4.9
131.08585	3.5
133.10143	25.0
135.11693	29.7
137.05975	9.4
137.09650	5.4
137.13258	7.0
139.11168	6.7
145.06487	6.0
147.11682	11.8
149.13225	5.6
151.07475	2.6
151.11212	7.4
151.14796	5.8
152.07051	2.9
153.12730	6.4
157.10191	2.6
161.13272	13.9
165.12807	6.5
169.15578	2.6
173.11732	3.7
175.14799	5.2
179.14299	5.3
193.19545	3.4
217.19534	22.7
235.20607	25.5
244.99783	3.3
253.21701	8.2
271.16898	5.6
284.25159	2.5
309.24319	13.7
313.10739	5.4
320.13922	3.5
327.25320	100.0
345.09692	3.4
345.13443	5.2
345.20395	4.3
345.21927	4.0
345.26370	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	345.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
74.70729	31.6
95.08614	41.6
98.20804	100.0
108.28439	34.4
122.06805	33.4
146.54256	37.8
229.02504	36.1
249.16473	38.8
345.18253	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2039
Annotation	(-)-11-nor-9-carboxy-Delta9-THC
Peak:m/z	Relative Intensity
54.14668	0.5
55.69418	0.5
56.05856	0.4
65.51691	0.5
67.05512	0.7
69.95782	0.5
70.06593	0.7
70.97580	0.7
70.97884	0.7
93.07057	0.5
121.10215	0.5
168.23932	0.5
201.88617	0.5
345.20380	100.0
346.20599	1.9
346.32968	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	345.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
68.82409	1.0
69.63397	5.9
79.05505	1.9
81.07069	1.9
86.09749	0.9
89.16068	0.9
91.05488	3.9
94.04197	3.9
98.21482	1.5
103.05476	7.9
105.07032	5.8
107.04964	2.4
109.06514	1.3
115.05486	1.0
117.07015	1.5
121.06523	3.1
122.03659	8.3
129.07077	1.6
131.04927	8.2
133.06487	17.9
135.08095	7.4
137.05984	100.0
145.06519	1.9
147.08076	2.2
151.07588	4.3
157.06488	1.2
163.07567	28.3
165.09204	1.3
187.07611	1.3
189.09042	1.7
217.53291	1.0
262.20020	1.1
263.10812	1.7
295.13373	2.4
327.15991	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
56.96557	2.3
57.03430	2.8
57.03709	0.5
58.44571	0.6
59.74220	0.6
61.02909	2.7
65.03947	0.7
69.03435	6.8
69.60154	1.0
69.60542	3.7
70.06579	0.6
71.04973	1.1
72.08159	1.4
73.02907	2.0
79.47480	0.5
81.03411	1.6
82.06576	1.5
84.04498	0.7
84.96033	0.7
85.02908	9.8
86.09711	0.9
87.04467	1.9
91.03962	0.8
91.05476	0.7
92.04995	1.8
93.04545	1.2
94.06539	0.7
96.04491	0.6
97.02906	4.1
98.06041	2.2
98.97580	5.4
99.04396	0.7
109.02891	1.4
109.07628	1.0
110.06036	1.6
112.07571	0.7
116.98620	1.3
117.36673	0.6
119.06068	20.8
119.71350	0.6
120.04500	4.2
121.03993	8.9
122.06007	1.1
126.37874	0.6
126.69048	0.6
127.03928	2.9
136.03912	0.6
137.06036	1.1
137.07100	7.0
139.03862	1.2
140.07045	4.5
140.92622	0.6
140.98682	0.7
145.04926	1.8
147.03473	0.6
147.04428	2.8
147.05536	8.4
148.03871	4.1
148.06322	27.8
149.04727	0.8
149.07106	20.3
158.99680	1.2
165.06606	92.7
166.07359	5.5
170.99719	0.8
175.04509	0.8
183.07660	56.0
185.16527	0.8
191.05775	0.9
201.00697	0.6
213.16100	0.7
219.01770	2.6
236.10670	0.7
237.02811	1.8
283.45288	0.6
283.55392	0.6
299.06247	0.7
299.14053	0.7
336.81989	0.7
345.12918	100.0
346.12448	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72417	2.4
53.03939	3.3
53.86393	2.7
54.03962	2.1
55.01870	6.0
56.05029	3.5
56.96553	9.7
57.03443	14.6
58.06620	2.7
60.04524	3.8
61.02927	16.2
68.05039	2.5
69.03429	30.1
70.06584	6.5
71.04975	5.4
72.08138	4.8
73.02914	8.9
81.03423	17.5
82.99829	3.3
84.04478	2.1
84.08150	3.6
85.02908	100.0
85.07770	2.1
85.97194	2.3
86.02414	9.9
86.03211	2.7
87.04461	5.3
91.03963	7.5
97.02892	31.1
98.20738	7.6
98.97591	12.6
99.04456	7.4
101.00900	16.4
108.96167	2.1
109.02875	9.8
112.07587	2.8
113.00883	6.3
116.07093	2.9
119.01952	13.6
121.04005	16.8
127.02480	3.4
127.03937	31.4
128.53654	2.6
129.04060	2.6
130.08627	7.9
131.01891	11.6
139.03914	4.6
143.01921	17.1
143.05392	2.4
145.03465	8.1
145.04971	17.2
147.04333	4.1
148.99355	2.7
155.01901	7.8
157.03474	5.8
158.99664	4.3
159.05048	9.5
161.02956	17.2
167.08417	4.0
169.03441	3.8
171.05011	3.5
173.02959	9.3
173.06628	12.9
173.09215	13.4
174.06374	4.9
175.00960	3.3
175.04626	2.8
183.04066	4.5
185.03000	10.0
185.06544	4.8
187.02699	4.2
187.04350	3.2
191.07547	2.7
192.05545	7.1
197.02928	4.9
199.04561	3.7
201.00728	5.3
201.06210	3.4
202.14517	2.9
203.02321	3.4
203.04007	7.9
203.07628	5.3
203.69923	2.7
212.07709	2.7
215.04253	3.7
217.07494	3.0
219.01794	8.6
219.07707	2.6
221.05109	3.2
227.04074	4.1
236.10745	9.5
237.02725	3.7
238.12187	4.1
240.10133	6.9
240.68285	2.8
241.05273	3.2
245.05101	34.4
245.08694	13.8
246.05309	5.3
248.08112	4.8
254.11687	3.5
255.06184	11.7
257.05063	4.8
261.02734	3.3
263.05905	3.1
264.06909	11.3
269.05280	3.2
273.07996	3.3
275.06122	4.4
282.11224	8.5
285.04349	3.4
299.13809	7.1
303.08777	3.0
313.04102	3.3
328.11758	9.7
345.09570	54.0
345.13727	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	345.1181
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
53.03940	0.4
55.01875	0.5
57.03436	0.4
60.20301	0.2
67.05497	0.7
68.99792	1.6
69.03435	0.4
69.07074	0.3
71.04976	0.3
79.05489	0.9
81.03404	1.6
81.07064	1.6
85.02914	0.7
86.05559	0.2
91.05481	1.9
93.07070	0.4
94.04185	0.3
94.30083	0.2
95.04967	1.8
97.02888	0.3
97.06532	0.3
103.05492	0.6
107.04958	0.4
109.06526	2.9
111.31133	0.2
118.67335	0.2
119.04935	2.7
120.72630	0.2
122.03705	0.4
123.04432	1.6
133.06506	0.7
135.04407	0.4
137.05983	21.8
141.05464	2.7
141.52950	0.2
147.04428	0.5
150.03133	0.6
153.05595	0.3
163.07556	1.0
165.05482	31.8
166.05687	0.3
183.06535	100.0
184.06982	0.3
246.51640	0.2
342.63892	0.2
345.18988	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.6
55.01864	7.6
55.05504	2.7
56.05025	7.6
56.96572	16.5
57.03419	8.3
57.07047	2.8
61.02924	15.0
67.36259	2.1
69.03436	31.9
69.07062	2.7
69.59100	14.6
70.06574	7.3
71.04978	7.0
72.08136	2.8
73.02911	10.7
81.03405	15.1
81.07065	4.1
83.01343	2.9
84.04501	3.3
84.08131	4.2
84.96033	2.3
85.02911	85.5
86.02438	14.8
86.03228	2.9
87.04449	8.1
88.03994	3.4
91.03949	5.7
97.02895	28.7
98.06023	2.5
98.97593	28.4
99.04448	7.1
100.99222	2.1
101.00871	9.6
108.54546	2.0
109.02874	10.2
109.99288	2.5
110.97562	8.7
112.99109	5.1
113.00836	4.6
116.07098	9.7
116.98636	5.6
119.01897	10.8
121.04004	3.7
124.99123	4.8
127.03943	23.3
128.98587	4.2
130.08690	2.9
130.93394	3.2
131.01891	6.3
133.03458	3.8
135.76553	2.1
137.05994	4.1
138.05502	5.1
143.00133	3.6
143.01895	11.8
145.03436	5.9
145.04997	15.8
147.04326	4.7
155.01866	5.0
155.08148	6.7
157.03485	11.8
158.03468	2.6
158.99707	13.2
159.05075	3.9
161.01134	2.6
161.02998	5.8
165.06609	4.2
167.01868	4.2
168.98044	3.8
170.99655	3.2
171.05019	3.0
173.01283	3.5
173.02898	5.5
173.06725	3.1
173.09229	54.1
174.03590	7.6
174.08072	2.4
175.04688	2.3
177.00739	6.5
182.99715	8.2
183.04089	6.5
184.04765	2.9
185.02951	9.1
185.06564	3.2
187.02687	6.2
191.03972	5.0
192.05701	3.0
197.02989	4.5
199.06322	6.3
200.04396	2.8
201.00786	10.4
201.06030	4.0
203.02357	4.2
203.04056	3.9
203.07617	4.9
206.04366	2.7
211.03886	8.1
211.42090	2.5
213.03711	2.4
213.05739	2.2
217.05455	3.4
218.80414	2.4
219.01811	15.6
219.07890	3.4
221.05066	5.7
227.03873	3.9
229.04927	7.7
237.02789	7.3
240.10249	3.4
243.01894	11.0
245.05153	15.4
245.08705	4.4
246.08595	2.7
246.54761	2.7
248.08037	7.4
249.08064	4.9
249.58987	2.5
251.04332	4.1
254.11949	2.7
255.01898	7.8
255.06171	18.5
261.02911	7.0
264.06583	13.2
269.05356	3.0
273.03113	4.3
277.07730	5.4
282.11267	5.7
287.05765	2.5
295.08862	4.5
299.14111	2.8
328.11575	4.3
345.05344	6.1
345.09406	100.0
345.12927	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
53.40623	2.1
55.01864	5.3
55.05508	3.1
56.96572	34.5
57.03439	14.1
59.04982	2.8
61.02931	12.9
64.27831	1.7
66.03484	3.6
67.05513	2.5
68.05014	3.5
69.03434	40.6
70.06605	9.9
70.98122	2.4
71.04982	7.8
71.51977	2.8
72.08161	2.1
73.02922	14.4
78.87639	1.9
81.03426	14.5
83.04977	3.3
84.08148	7.2
84.44135	1.8
84.96036	10.5
85.02906	80.3
86.03241	4.1
86.09708	6.8
87.04467	10.2
91.03944	6.2
91.05482	6.3
92.61581	1.9
93.04542	13.3
97.02901	39.9
97.96772	1.9
97.99182	3.6
98.03233	3.3
98.97587	57.9
99.04450	7.3
100.07621	2.5
101.00889	5.0
102.95585	1.6
103.92733	1.8
107.04955	3.4
109.02885	8.7
110.01241	2.9
110.06033	3.4
110.97569	13.6
112.99142	5.4
115.00662	2.8
115.03921	3.8
116.07068	3.6
116.98625	15.5
119.01833	6.6
119.04932	3.7
121.03999	100.0
124.99114	4.2
127.00687	4.1
127.03920	26.9
128.02359	1.9
128.98621	9.2
129.05475	3.3
130.08640	4.9
130.93314	4.7
131.00127	3.8
131.01883	2.4
131.04974	2.0
132.02562	3.3
134.99664	2.0
136.04004	3.5
136.07549	6.9
137.05989	2.6
138.02544	3.1
139.03987	3.0
140.02257	2.5
140.98631	4.8
143.00157	9.0
143.01942	6.3
144.98192	2.3
145.01752	2.2
145.03424	5.7
145.04962	14.3
146.01202	2.9
146.99704	2.6
147.03282	3.7
147.04341	12.8
148.03900	2.6
148.07504	2.2
149.01166	2.6
150.05490	2.7
152.02342	2.5
153.03114	2.7
154.03870	2.1
155.00133	2.4
155.01892	3.8
157.03464	2.6
158.99670	17.6
161.01196	6.2
161.02869	5.6
162.03610	2.5
162.05492	2.1
164.05710	3.1
164.56612	1.9
164.98618	4.1
165.05887	4.2
166.04993	8.4
166.08664	6.5
167.01996	2.2
167.08580	14.8
168.03429	2.4
169.03487	2.8
170.99673	6.1
171.08037	4.3
172.56810	2.2
172.94316	22.8
173.01233	3.5
173.02902	2.5
174.03693	6.3
174.99165	2.1
175.04434	3.4
177.00694	8.5
177.05553	3.0
177.07007	6.7
178.07748	6.7
179.08304	4.7
182.03394	3.4
182.06737	4.4
182.08211	2.9
182.99670	10.9
183.04239	17.9
183.07652	3.3
183.08569	2.8
183.54259	2.8
184.09750	4.9
185.03000	4.1
185.06581	2.4
186.04404	3.7
186.99248	4.7
187.02763	4.5
187.04411	3.9
189.00703	2.4
190.95419	11.5
191.03923	5.0
191.08551	12.3
192.04668	6.9
193.10165	3.5
195.05132	2.6
195.08049	14.8
197.01256	2.7
199.07790	2.5
201.00713	14.4
202.07834	3.1
203.02318	9.5
203.04039	3.5
203.08496	2.8
208.08911	2.8
208.96431	3.4
209.03151	3.5
209.09689	3.0
212.10710	4.5
212.97614	2.5
214.95459	6.5
216.97008	5.3
219.01778	33.0
219.05219	3.0
219.08105	18.4
220.02072	2.3
221.03294	4.6
221.09669	5.8
223.07608	8.4
225.09082	6.2
226.05966	2.3
227.07089	3.8
230.98566	8.5
232.96434	9.6
236.10699	21.5
237.02696	22.4
238.12251	15.1
240.10178	19.3
243.01961	6.7
245.05025	6.1
246.05746	2.5
248.07745	3.1
248.57230	2.5
248.99495	3.0
251.04413	2.3
251.07077	2.7
253.13390	13.2
254.11734	10.8
254.98634	4.4
255.06186	37.2
255.08466	2.4
255.56244	3.7
257.00064	4.8
260.96091	4.7
261.02762	4.4
263.58096	3.9
264.06567	29.4
264.56955	3.1
265.08649	13.8
269.05493	3.2
269.08136	8.3
275.01376	3.0
282.11279	38.8
284.99661	5.0
286.10767	5.9
299.13895	27.1
300.12329	7.0
302.97064	4.9
303.00629	11.3
311.09125	3.6
317.05521	2.6
320.97900	6.3
321.01727	14.7
327.12158	3.9
328.11871	37.0
328.59521	3.5
335.06693	2.4
339.02753	3.7
344.60858	3.9
345.09140	50.7
345.14890	17.5
345.22049	7.9
346.15155	10.4
347.06482	6.6
365.07562	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	345.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19987	0.5
51.42568	0.4
56.96570	2.1
59.65847	0.4
71.52595	0.8
88.48763	0.4
98.97589	8.0
101.00900	2.4
116.98631	2.9
119.01940	2.8
134.96370	0.4
134.99709	0.6
140.98778	0.9
158.99854	2.0
177.00960	9.5
182.99924	3.1
196.94478	0.6
201.00948	12.4
202.01091	0.4
202.93382	0.7
219.02016	100.0
220.02115	2.6
220.94563	0.6
221.02390	0.5
222.59636	0.4
224.02596	0.6
233.96127	0.4
238.95609	5.3
242.03568	5.0
256.96625	9.1
257.96643	0.7
258.96594	0.4
261.02911	0.6
261.97116	0.5
274.97638	1.3
279.98230	1.9
280.96616	2.5
281.94678	0.5
298.97690	40.2
299.97708	0.9
303.98053	0.6
307.93091	2.1
308.43082	0.9
308.92841	0.5
309.94327	0.5
310.23981	0.4
310.88937	0.5
310.93161	0.9
316.93582	1.9
317.43579	1.2
317.93469	0.7
318.94897	1.8
319.43820	5.5
319.93896	1.9
321.99319	7.1
327.17319	0.5
328.44290	3.4
328.94312	1.3
330.43631	1.0
330.94818	0.9
339.95258	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39814	4.5
55.01874	11.0
55.05521	44.2
57.03436	9.5
57.07063	10.8
62.54611	4.4
67.05508	100.0
69.07075	28.8
69.74085	10.0
69.74492	19.7
71.04980	6.9
71.08644	24.9
79.05497	64.4
81.06570	9.3
81.07056	99.3
83.04976	22.5
83.08636	30.5
85.06535	9.0
88.07639	16.6
89.06046	11.6
91.05498	37.7
93.07047	68.2
95.04963	19.0
95.08624	53.8
97.06527	14.2
97.10142	7.1
98.21511	6.9
99.08121	31.8
105.07034	27.1
107.08585	36.2
109.06518	7.1
109.10141	24.8
117.07015	9.5
119.08591	16.5
121.10158	27.2
131.08582	11.6
133.08652	7.4
133.10133	27.6
135.11700	23.5
139.07622	6.0
139.11218	21.3
145.10107	8.3
147.11781	11.1
149.13251	43.2
151.11192	16.7
157.10178	7.8
159.11719	23.3
161.13235	9.1
163.11174	7.9
165.12752	8.5
173.11821	7.4
175.11208	5.8
175.14911	10.0
177.12715	15.5
179.14325	5.5
181.49336	5.4
195.13815	61.1
201.97876	5.1
203.07452	4.9
213.14883	9.0
227.16408	8.0
241.19522	10.4
259.20569	12.4
263.59470	5.4
277.21561	36.1
283.25903	6.1
291.23172	14.0
309.24237	10.4
344.25699	5.8
344.31573	9.0
344.38226	36.9
345.20340	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	344.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56833	5.4
55.01869	12.5
55.05515	36.9
57.03436	9.0
57.07066	19.7
65.04599	5.2
67.05505	70.0
69.07072	46.7
69.17112	55.5
71.04983	10.0
71.08641	42.9
74.06067	18.0
79.05495	62.8
81.07059	100.0
83.04991	27.1
83.08614	19.9
85.06507	10.3
85.10172	7.6
88.07634	38.4
89.06023	5.2
91.05497	40.0
93.07048	91.9
95.04981	24.3
95.08606	67.7
97.06531	21.2
97.10181	9.7
98.21481	9.9
99.08099	32.4
105.07040	36.2
107.08579	45.1
109.06538	7.1
109.10178	16.1
111.08085	13.3
117.07014	6.9
119.08588	30.2
121.10135	29.6
123.08107	6.1
123.11745	6.3
125.09648	9.6
129.06982	6.4
131.08591	15.5
133.10130	31.2
135.08061	7.6
135.11765	32.2
139.07594	5.7
139.11189	42.0
145.10123	12.2
147.11688	16.9
149.13246	34.8
151.11189	24.4
159.11703	17.8
161.13261	20.9
163.11235	17.2
163.14832	8.7
171.11731	6.6
173.13332	7.2
175.11261	7.7
177.12746	12.8
179.14354	10.1
185.13290	7.4
193.12233	12.2
195.13812	21.4
217.19559	9.2
221.15407	9.3
227.16341	6.9
241.19534	14.2
249.22110	6.0
259.20630	25.9
277.21625	80.1
291.23303	29.2
298.31158	9.4
309.24329	16.4
344.31601	54.2
344.38074	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	344.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87311	6.6
55.01876	14.6
55.05519	47.7
57.03417	6.4
57.07073	21.1
67.05512	60.4
67.23293	8.2
69.03410	10.4
69.07078	42.6
70.06601	16.5
70.88041	6.6
71.05000	12.1
71.08626	17.2
79.05503	60.7
81.07063	100.0
83.04987	24.0
83.08620	20.1
85.06545	14.5
85.72787	7.5
88.07639	50.2
89.06061	9.1
91.05492	36.2
93.07049	74.0
95.04990	14.5
95.08592	52.7
97.06527	24.6
97.10162	20.4
99.08097	23.9
103.68761	6.2
105.07040	27.9
106.08685	13.7
107.08593	60.3
109.10148	27.1
111.08066	7.1
117.06994	18.1
119.08601	19.7
121.10150	26.6
123.11706	12.7
125.09628	18.2
131.08603	10.7
133.10104	26.1
135.11703	20.3
137.09570	9.4
139.11180	49.0
145.10153	6.6
147.11702	21.6
149.13242	28.8
151.11203	10.8
157.10199	12.4
159.11725	16.7
161.13228	16.1
173.13284	8.9
175.14819	15.2
177.12790	9.9
192.76321	6.6
193.12271	9.3
195.13803	22.2
199.05498	7.3
203.12819	18.0
259.20529	12.8
277.21680	80.0
283.26266	9.0
291.23218	19.5
309.24393	14.2
327.19913	8.8
344.31500	15.5
344.35223	82.0
345.20270	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	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.1
53.54459	4.3
55.01884	10.6
55.05513	38.3
57.03428	15.0
57.07066	8.0
67.05184	5.5
67.05509	89.2
69.03430	12.1
69.07074	36.5
71.01357	12.1
71.04996	13.7
71.53394	4.1
73.02905	5.5
74.64481	4.3
79.05498	66.3
79.20068	4.2
81.03440	33.3
81.07067	100.0
83.04987	40.2
83.08627	25.9
84.02125	5.4
85.02921	9.0
85.06528	5.1
89.06044	11.0
91.05482	74.4
93.07047	57.4
95.04964	27.6
95.08612	49.0
97.06528	16.8
97.10185	8.2
99.08079	6.3
102.44387	5.4
105.07038	37.9
107.04951	7.4
107.08600	32.2
109.06528	13.7
109.10153	14.1
112.08518	4.7
117.07011	5.3
119.08604	23.8
121.06519	10.9
121.10117	13.8
123.08064	19.5
123.11747	4.3
127.03920	6.3
129.06985	7.8
131.08549	11.1
133.10158	26.4
135.08110	5.0
135.11673	8.6
143.08534	7.1
145.10135	7.8
145.53700	4.3
147.11684	12.0
149.09641	5.1
157.10106	8.7
159.11601	5.4
166.18469	5.0
189.11232	9.9
194.13017	6.3
241.23610	5.2
275.19965	8.8
326.88629	5.0
327.20059	5.0
344.31421	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	344.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.7
53.20432	3.9
55.05518	22.6
57.03445	21.1
67.05510	56.1
69.03411	7.0
69.07071	94.3
69.87276	9.0
69.87688	12.0
71.04990	48.6
73.02909	8.1
79.05495	60.6
80.51142	3.4
81.03417	33.5
81.07054	56.7
83.04987	9.4
83.08606	12.0
85.02898	5.3
85.06546	8.0
91.05473	36.1
93.07051	45.7
95.04978	51.4
95.08628	38.2
97.06541	100.0
97.10169	7.1
99.08089	13.9
100.27602	4.7
105.04511	3.9
105.07028	36.7
107.04968	14.2
107.08595	30.1
109.06537	26.8
109.10152	12.1
111.08077	9.0
113.06026	7.0
115.07569	63.6
117.07033	21.9
119.08583	27.5
121.06502	9.2
121.10143	19.0
123.08050	11.4
125.09640	6.3
129.07001	12.8
131.08586	20.8
133.10112	27.1
133.10982	4.1
135.08067	14.8
135.11703	19.3
143.08572	14.1
145.06441	5.3
145.10129	18.5
147.08087	9.5
149.09654	5.9
149.13255	11.0
157.10120	8.3
159.11703	17.5
161.09605	10.0
163.11266	6.5
165.09131	5.2
171.11684	5.7
173.13210	4.8
175.11348	4.5
177.12712	9.5
183.11610	6.5
187.11237	8.7
195.13829	13.4
201.12712	4.7
202.14229	3.9
203.14287	3.8
205.12265	7.1
221.15402	8.5
223.13301	12.9
239.16470	11.5
245.18983	5.0
260.90082	5.0
263.20114	5.5
273.18497	15.6
291.19650	24.0
309.20596	5.5
312.95941	4.0
328.89807	3.9
344.22482	4.5
344.25922	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	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.01870	3.6
55.05501	7.4
57.03423	7.4
67.05510	23.9
69.03417	3.1
69.07071	28.5
69.29638	3.4
69.30050	10.1
71.05009	10.6
79.05497	26.5
81.03413	9.7
81.07063	20.4
83.04984	5.2
83.08619	2.3
85.06535	2.5
91.05482	13.4
93.07058	18.5
95.04970	18.5
95.08610	11.9
97.06536	100.0
98.20770	3.0
99.08088	3.5
105.07043	10.5
107.04964	3.1
107.08628	8.0
109.06502	5.4
109.10130	5.3
111.08040	2.4
113.06001	2.3
115.07575	21.9
117.07015	4.8
119.08604	9.4
121.06474	2.6
121.10142	5.9
123.08034	1.8
124.60041	1.7
125.09624	1.8
131.08565	8.1
133.10132	7.9
135.08047	3.5
135.11674	3.9
138.35510	1.9
143.08633	1.7
145.10120	4.6
149.13251	5.1
151.11156	1.6
157.10069	2.8
159.11665	5.6
161.09636	1.9
162.69182	1.6
171.11639	1.9
177.12756	5.7
183.11722	1.9
195.13811	5.8
217.15858	2.0
223.13290	4.1
273.18521	3.8
291.19510	3.5
344.25745	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	344.2221
Annotation	Polysignine
Peak:m/z	Relative Intensity
53.03937	0.4
54.89101	0.3
55.05490	0.7
56.35106	0.3
57.03436	0.3
57.07071	0.3
62.89491	0.3
67.05493	0.7
69.07050	0.7
70.06596	0.4
70.63899	0.4
70.64259	0.8
77.94541	0.3
79.05492	4.4
80.05009	0.9
81.07062	2.0
83.08574	0.4
91.05491	3.5
93.07050	4.0
94.06552	0.6
95.07345	0.4
95.08593	1.5
96.08097	0.4
103.04814	0.5
103.05475	9.5
105.07028	3.0
107.04295	0.4
107.04961	5.2
107.08569	1.4
108.08120	15.1
109.08876	0.9
109.10136	0.5
110.09645	1.1
111.08066	0.3
113.02589	0.3
119.08573	0.7
120.08109	3.0
121.08856	0.3
122.09669	9.6
123.10468	1.5
123.11719	0.3
124.11143	0.3
129.58124	0.3
130.06520	3.1
131.04944	5.0
131.08502	0.3
132.08089	2.6
133.10086	0.9
134.09642	0.9
135.11673	2.3
136.11217	3.7
137.13155	0.4
148.11188	0.5
149.05974	0.5
150.12787	21.7
151.13574	6.9
152.10776	0.4
152.14360	4.2
153.12677	0.6
161.13237	0.4
164.14366	0.5
166.08636	0.7
166.12245	0.5
170.09557	0.6
172.11284	0.3
178.08521	0.3
179.09433	0.4
179.14371	0.6
180.10217	4.0
186.12833	0.3
188.14323	0.3
198.12750	0.5
200.14342	1.3
209.14171	0.8
212.14301	0.3
216.10085	0.3
218.11749	0.4
226.15900	0.9
228.10216	1.5
232.13199	0.4
246.11266	0.8
246.14937	1.3
254.19008	3.0
256.13232	0.4
270.14807	2.2
272.16464	0.3
282.19028	0.3
298.17978	1.3
298.21289	0.5
300.19586	100.0
301.19913	1.4
302.21179	2.6
325.46109	0.4
326.20950	0.4
344.22214	76.1
345.09821	0.8
345.22568	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	344.2222
Annotation	Polysignine
Peak:m/z	Relative Intensity
55.05527	1.8
58.95111	0.5
60.04543	0.9
64.21370	0.6
67.05534	1.7
69.03487	0.6
69.07088	2.1
70.06583	1.2
71.53397	0.5
79.05508	4.9
80.05057	0.6
81.03452	0.5
81.07070	3.8
81.64888	0.6
85.02950	0.7
91.05483	4.0
93.07057	4.1
94.06593	0.5
95.04984	0.7
95.08605	3.3
97.06430	0.6
103.05480	9.7
105.07051	2.7
107.04954	5.3
107.05502	0.5
107.08622	3.3
108.08121	15.4
109.08902	1.2
109.10201	1.2
110.09726	1.5
116.07114	1.0
120.08138	2.9
121.10106	1.0
122.09679	10.3
123.10489	1.6
130.06537	3.8
131.04935	5.3
132.08128	1.9
134.09715	0.6
135.11725	3.0
136.11194	3.9
137.06026	2.1
145.10150	0.7
148.11217	0.7
150.12788	23.5
151.13596	8.2
152.14352	4.3
164.14297	0.8
166.08728	0.6
170.11774	0.9
174.09163	0.7
177.16367	1.1
179.14354	0.7
180.10214	4.0
200.14342	2.5
201.50279	0.5
205.16006	0.6
209.14207	0.6
228.10196	1.7
232.13379	0.7
246.14940	1.2
250.46027	0.5
254.19077	2.3
256.13315	0.9
260.61783	0.5
270.14862	2.4
300.19601	100.0
301.20062	0.8
302.21231	3.2
344.22198	81.9
345.22491	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	1.8
69.03419	2.7
69.32569	1.1
69.81934	5.7
73.02917	1.1
75.93417	1.1
81.03405	1.4
85.02904	18.6
91.05459	3.7
97.02884	4.3
98.20789	1.1
119.04945	16.5
123.04382	1.9
127.03909	3.6
145.04927	4.5
147.04411	100.0
148.04773	1.4
153.85429	1.2
165.05479	59.5
180.08653	3.0
182.08127	1.6
344.13547	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	344.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01870	1.6
55.05522	1.7
58.99591	1.6
60.04514	2.8
67.05515	4.5
69.03436	39.8
69.05776	0.8
69.07056	2.0
70.06592	4.6
70.37638	2.4
71.04983	2.0
72.08154	1.8
74.00661	0.9
76.02218	7.1
76.93771	0.8
79.05495	2.7
81.03413	1.9
81.07057	4.1
82.06554	1.0
83.05000	5.8
83.08615	1.4
84.04498	3.1
84.08140	2.2
85.02889	3.0
86.09732	1.7
86.99067	0.9
88.07639	0.8
90.05531	1.1
91.05492	5.4
93.07063	6.9
95.04980	4.3
95.08601	2.1
97.02888	1.7
97.06535	0.8
98.21367	1.1
99.08063	0.8
103.05437	1.1
105.00091	1.3
105.07047	1.6
107.05002	4.9
107.07069	1.2
107.08609	4.3
109.02881	0.8
109.06536	9.2
109.10162	5.7
116.07092	3.2
118.61318	0.8
119.04938	1.5
119.08566	3.2
121.05671	1.2
121.06519	17.1
121.10156	1.3
122.02748	5.9
122.07310	1.1
123.04427	0.9
123.08053	2.1
125.06033	1.0
125.09627	0.9
127.03910	0.8
130.05022	1.3
130.41827	0.8
131.08575	0.8
133.10191	1.2
134.08119	1.3
135.08067	3.7
137.05966	2.0
137.09627	49.5
144.04759	0.9
145.10109	1.4
147.04445	4.7
149.05995	54.7
159.11697	1.8
163.11197	2.8
164.07091	1.3
167.07037	1.3
172.08759	0.9
175.11157	1.2
177.12772	3.2
182.08243	0.8
187.11147	1.8
190.05310	1.6
193.12242	1.5
204.06395	0.8
205.12251	100.0
206.12601	1.1
207.02934	1.1
211.13257	0.8
223.13303	33.9
236.16473	3.0
254.17517	23.8
255.10608	1.2
280.18961	1.3
280.44370	0.9
300.18106	9.9
326.19730	5.8
326.23132	1.6
344.15302	2.9
344.20547	4.2
344.24719	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	343.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01860	3.6
55.05515	16.7
56.05029	2.2
56.82278	2.1
57.03437	3.3
57.07063	7.3
59.04991	3.8
60.49165	2.3
67.05508	22.0
68.05025	2.3
69.03428	6.4
69.06744	2.6
69.07080	44.2
70.06578	3.3
71.04986	6.9
79.05492	16.8
81.03412	4.0
81.07063	100.0
83.04984	5.9
83.08609	16.4
85.02898	6.4
85.06553	13.5
85.10152	2.4
91.05472	8.2
92.55255	2.0
93.07062	27.9
95.04958	10.0
95.08064	4.4
95.08614	48.7
97.02864	2.4
97.06532	5.4
97.10162	7.2
99.08081	6.7
101.06034	2.2
105.07037	16.6
107.04984	3.2
107.08603	22.5
109.06533	5.7
109.10172	21.8
111.08098	21.3
111.11723	8.5
119.04961	2.1
119.08586	13.7
121.06504	3.0
121.10155	19.9
123.08089	4.5
123.11725	22.4
125.09662	2.7
127.03939	2.6
127.11186	5.7
129.06947	2.3
131.08595	5.0
133.02875	7.3
133.10118	8.2
135.08090	4.5
135.11705	15.8
137.05954	5.4
137.09549	2.6
137.13266	22.6
139.11191	5.3
145.10121	7.3
147.04448	2.8
147.11655	11.8
149.13266	7.9
151.11278	2.4
153.12769	15.0
155.14281	6.9
159.11656	3.9
161.06123	2.2
161.13261	3.9
163.11209	12.1
163.14856	3.9
165.12775	7.4
168.64020	2.4
175.14755	2.7
181.12260	3.1
189.09067	1.9
189.16374	5.2
201.05533	3.9
203.17909	2.3
215.17995	5.0
225.18513	2.2
237.18414	2.3
239.06943	2.2
246.36554	2.2
251.20261	2.1
267.06656	2.6
277.25204	2.7
289.25177	10.9
295.26355	6.5
307.26349	39.0
325.27402	9.9
343.11862	9.2
343.23083	6.8
343.28372	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	343.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.2
55.01894	2.0
55.05516	15.1
57.07075	8.9
59.04999	4.7
61.70793	1.7
65.03890	1.7
67.05509	20.2
69.03418	4.3
69.07074	60.1
70.00381	9.3
70.06597	2.5
71.04993	17.4
71.08636	3.0
73.06579	2.3
79.05502	14.6
80.04986	3.3
81.07062	100.0
83.04969	6.0
83.08627	19.9
85.02911	3.2
85.06543	16.9
91.05466	8.7
93.07050	31.2
95.04983	4.9
95.08613	59.4
97.06516	8.4
97.10167	6.7
99.08093	10.2
101.05986	3.2
105.07008	15.9
107.04924	1.9
107.08595	32.6
109.06506	7.3
109.10163	29.6
111.08086	18.1
111.11710	7.7
113.06008	3.1
113.09669	8.9
119.08595	11.8
121.06497	2.3
121.10148	19.2
123.08079	2.9
123.11721	46.4
125.09650	4.2
126.09979	2.2
127.11189	8.3
131.08583	3.3
133.06058	4.1
133.10138	7.7
135.00397	1.7
135.11682	20.6
137.09621	2.7
137.13264	19.4
139.11191	6.3
145.10129	6.9
147.04460	2.2
147.11732	10.7
149.13255	13.6
151.11177	2.4
151.14877	2.7
153.12761	33.9
153.81068	2.0
155.12440	2.1
155.14323	4.7
159.11662	5.4
161.13258	8.1
163.11197	4.5
163.14842	4.0
165.12779	9.3
166.67819	1.8
171.13834	3.6
173.13393	2.1
175.14816	4.0
177.12701	1.9
177.16486	2.4
179.14261	4.1
181.12318	3.1
188.06821	2.6
195.07623	9.9
196.09404	3.4
209.19061	2.8
237.18472	5.0
245.15521	1.9
271.24316	3.1
271.92578	2.1
277.25204	4.6
289.25186	13.2
295.26422	10.3
303.63531	2.0
307.26306	44.6
311.19449	3.1
325.27380	10.3
343.12009	3.6
343.16367	12.7
343.22937	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	343.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.01898	3.3
55.05268	2.1
55.05510	23.0
56.05045	2.5
57.03432	4.8
57.07070	6.7
59.05006	5.0
67.05512	24.0
69.03425	7.9
69.07075	68.5
70.06588	5.5
70.68462	6.2
71.05000	7.7
71.08629	2.3
73.06543	2.4
79.05506	14.2
81.03407	2.6
81.07066	100.0
83.04987	7.0
83.08632	17.1
85.02905	5.2
85.06561	17.4
91.05475	8.4
93.07057	34.3
95.04971	12.7
95.08614	62.3
96.03510	2.3
97.02837	2.2
97.06522	11.8
97.10173	7.1
99.08094	12.2
101.06018	3.8
105.07051	15.1
107.08606	30.4
108.56682	2.0
109.06535	6.4
109.10174	30.3
111.08092	16.9
111.11744	14.3
113.06007	2.4
117.07015	2.0
119.04932	2.0
119.08585	11.8
121.06537	2.7
121.10146	18.2
123.08057	3.6
123.11713	28.4
125.09621	4.4
125.13242	2.7
127.11189	7.0
131.08568	3.4
133.10141	7.3
135.11711	22.7
137.06001	8.4
137.09651	3.5
137.13266	18.1
139.11186	7.1
145.10141	5.6
147.11717	10.3
149.09613	2.1
149.13258	8.7
151.11163	4.5
153.05453	2.7
153.12752	35.0
154.12300	2.5
155.12625	2.2
155.14296	2.3
159.11661	4.1
161.13237	3.6
161.95296	2.0
163.11131	10.0
163.14847	4.2
165.12752	15.3
171.13710	2.2
173.13290	2.6
175.14897	4.5
177.16257	3.5
181.12251	4.7
191.17924	2.1
201.05655	2.8
202.80855	1.9
209.18938	3.0
215.27763	1.7
234.59705	1.9
237.18582	4.7
255.10139	2.5
263.23709	3.7
263.60257	2.1
269.12335	4.1
277.25217	4.5
281.24734	2.1
283.09515	2.2
289.25281	11.6
295.26379	6.2
307.09796	2.9
307.26358	60.4
325.27417	17.1
343.08124	3.2
343.11838	11.9
343.15567	2.8
343.23184	7.6
343.28113	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	343.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99346	1.4
53.03944	2.0
55.01868	2.0
55.05517	25.6
56.96572	1.6
57.03439	16.1
57.07080	19.3
63.43666	1.4
63.96093	1.4
65.24616	1.8
67.05514	26.9
69.03418	2.4
69.07076	43.8
71.04993	4.4
71.08633	12.5
71.53550	1.9
71.53918	1.8
71.57982	1.4
73.06522	1.4
79.05504	12.8
80.04554	1.4
81.07060	39.8
83.04976	5.5
83.08627	36.4
84.52677	1.4
85.06551	4.4
85.10187	4.6
87.04414	1.8
91.05478	6.3
93.07049	22.0
95.04991	2.9
95.08615	34.8
97.06522	13.8
97.10169	15.3
99.08073	1.9
101.06025	1.6
105.05883	1.4
105.07035	7.4
107.08598	18.9
109.10162	18.7
111.08099	7.4
111.11727	2.7
115.07620	2.9
119.08582	4.0
121.10161	21.1
123.11723	9.1
125.09653	9.3
129.09146	2.3
131.08578	3.3
133.10170	7.4
135.08008	1.6
135.11699	18.8
137.09662	2.2
137.13249	2.1
139.11195	8.9
143.08519	1.9
143.10693	2.0
145.10161	3.8
149.13252	12.5
151.11145	1.5
153.12773	5.6
155.10680	1.6
157.10237	1.7
159.11655	2.3
163.14859	4.1
167.14331	2.9
199.11380	1.6
205.19557	16.7
215.18025	4.0
223.20586	12.6
231.31444	1.7
233.19023	2.7
240.23097	8.2
251.20026	8.0
269.21118	4.4
270.35791	1.5
277.34247	2.1
287.22180	59.0
288.22571	1.9
325.24033	9.2
343.11856	2.0
343.24841	100.0
344.25259	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	1.7
53.03943	3.7
55.01864	9.0
55.05270	3.1
55.05517	47.0
57.02350	2.4
57.03439	16.8
57.07064	4.1
63.54330	1.8
67.05511	55.2
69.07074	62.6
69.87205	3.9
69.87613	8.5
71.04990	8.1
79.05496	43.7
81.07065	100.0
83.04980	12.3
83.08626	39.7
83.53271	1.8
85.06539	5.0
91.05487	16.5
93.07053	66.3
95.04995	3.8
95.08615	85.5
95.83875	1.8
96.08906	1.9
97.06539	18.0
97.10188	15.2
99.08114	1.7
105.07032	14.7
107.04892	2.1
107.08616	22.3
109.06513	3.3
109.10167	44.4
111.08089	10.1
111.11737	4.1
117.07033	3.2
119.08611	10.1
121.06515	1.9
121.10157	43.7
123.08086	4.3
123.11724	17.9
125.09628	6.3
131.08554	8.6
133.10150	16.1
135.11716	13.1
137.09621	5.5
137.13252	5.7
139.11215	12.6
145.10159	11.7
147.11691	7.0
149.09711	2.0
149.13275	8.9
151.11160	5.1
153.12752	2.3
159.11691	8.0
161.13304	1.9
163.11235	5.0
164.11522	3.2
165.12794	1.9
173.13243	4.9
175.14766	3.1
181.12270	3.8
187.13341	8.3
195.13873	3.7
201.13112	2.1
201.14894	5.1
203.12814	6.6
205.19595	2.9
209.11707	3.8
210.12128	4.7
215.17987	12.3
227.12747	4.8
228.13184	3.2
233.19016	35.3
251.20082	91.0
269.21167	13.0
286.02319	2.2
290.18130	3.1
308.19351	5.8
325.23846	21.0
343.24863	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2271
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
52.87073	1.3
53.03930	2.5
53.28697	1.3
55.01862	5.1
55.05307	1.3
55.05519	15.1
56.05880	1.6
57.03430	5.6
57.07065	6.0
57.20285	1.3
59.04987	4.0
65.03926	1.8
67.05511	18.4
69.03435	7.2
69.07079	7.4
70.25800	2.9
70.26197	2.5
70.27435	1.7
71.04996	15.8
79.05497	19.0
81.03419	4.4
81.07063	24.6
83.04977	2.8
83.08612	3.7
85.06530	3.1
91.05489	21.4
93.07050	53.5
95.04976	33.4
95.08617	58.9
97.06528	13.5
97.10158	5.4
98.10502	3.7
98.20835	1.7
103.05452	3.0
105.07040	57.5
106.17561	1.4
107.04936	2.8
107.08607	43.2
108.05735	1.7
108.08935	5.7
109.06527	12.7
109.10166	6.5
109.76086	1.3
111.08047	2.5
115.05453	5.5
117.07033	25.3
119.08585	20.0
121.06501	10.4
121.10160	10.5
121.36108	1.5
122.07329	1.5
123.08085	17.7
125.09632	4.4
126.09969	3.9
128.06216	1.8
129.06973	3.5
130.06837	1.5
130.07744	7.2
131.08568	7.0
133.06473	4.3
133.10144	8.8
134.07208	1.6
135.08067	18.1
135.11678	14.8
137.05888	1.5
137.09634	4.7
140.78712	1.5
142.07793	2.1
143.08582	8.2
145.10135	56.3
146.10541	1.6
147.08072	12.3
149.09651	5.4
151.07555	27.6
153.09128	2.3
155.08609	3.4
157.10168	7.3
159.08083	1.7
159.11745	7.5
161.09657	6.5
161.13268	3.0
163.07442	1.5
163.11192	52.7
165.09129	11.9
169.10117	3.4
171.08095	1.4
171.11656	5.3
173.09631	3.1
173.13275	1.8
175.11230	3.3
177.09198	2.5
179.07083	2.2
179.71062	1.4
181.04749	1.3
181.12218	2.5
183.11743	3.3
187.11157	3.7
187.14912	1.7
189.09201	2.1
189.12811	7.7
191.10689	1.6
191.14165	1.4
193.10271	1.6
195.11620	2.0
197.13298	2.5
201.12781	2.2
203.12729	5.0
203.14375	6.9
204.13145	4.3
207.11890	1.9
207.13776	3.4
209.13109	2.3
209.15349	3.4
215.14372	2.2
217.12210	2.1
221.15350	22.5
225.12766	2.1
227.14253	1.9
233.15363	2.2
240.23265	2.9
245.15350	2.7
263.16479	6.4
264.74008	1.4
269.15427	2.4
276.20538	3.3
286.19327	2.9
287.16492	1.3
287.20105	2.0
325.21640	9.7
337.12543	1.6
339.05768	1.4
343.22678	100.0
344.23224	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	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03937	4.9
55.01863	6.1
55.05515	16.8
57.03428	8.0
57.07083	9.1
59.05001	2.9
62.77279	1.6
67.05511	22.6
69.03416	7.4
69.07055	6.7
70.68760	5.2
71.05004	18.9
79.05492	19.8
80.60061	1.7
81.03399	3.9
81.07056	25.6
83.04980	5.3
83.08591	3.1
85.06535	2.6
90.36236	1.7
91.04980	2.4
91.05486	28.3
93.06483	3.2
93.07050	58.3
95.04973	50.6
95.08611	69.4
97.06532	16.7
103.05477	1.7
105.07034	70.0
107.04964	2.5
107.08599	47.0
109.06539	11.4
109.10165	5.8
111.08060	2.1
113.09676	2.2
115.05431	6.2
117.07015	27.9
119.08587	24.7
121.06534	11.6
121.10146	15.8
122.07213	2.3
123.08057	23.2
125.05998	2.2
128.06198	3.6
129.06996	7.9
130.07805	13.2
131.08583	8.7
133.06509	5.2
133.10132	15.5
135.08066	23.4
135.11682	13.3
137.06006	2.2
137.09633	5.0
142.07782	4.6
143.08591	10.4
145.06531	2.0
145.10133	73.7
147.08090	10.4
147.11716	4.0
148.08812	2.0
149.09618	5.0
151.07547	35.1
153.09106	5.7
155.08575	2.4
156.09351	2.0
157.10132	10.3
159.08052	5.1
159.11699	9.3
161.09619	7.0
161.13332	2.6
163.11188	49.0
165.09137	14.6
169.10138	5.2
170.10904	2.0
171.11679	7.3
173.09625	3.7
173.13248	3.5
175.11185	5.9
177.09137	4.3
179.07120	2.5
179.08621	1.7
180.09409	1.9
181.10133	2.1
181.12184	3.4
183.11699	2.4
187.11172	4.8
187.14841	2.3
189.12755	9.1
191.14275	3.1
195.11678	2.6
197.13194	3.4
199.11234	3.1
199.14877	2.6
203.14348	7.3
207.10068	2.1
207.13788	6.0
209.13382	1.9
209.15378	6.4
215.14352	3.7
217.12218	3.0
221.15393	27.7
221.17377	3.3
223.14818	2.5
233.15384	4.4
240.02945	1.9
240.23212	2.2
241.15785	1.9
245.15085	2.8
258.93814	1.7
261.65802	1.8
263.16434	7.9
269.15430	3.5
283.20413	2.1
286.19354	4.2
287.19974	1.8
325.21609	12.1
343.22678	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2271
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03938	7.7
55.01860	5.7
55.05515	18.5
57.03422	8.9
57.07061	6.7
57.57949	2.9
58.04585	2.8
59.04994	6.1
67.05505	22.3
68.15994	2.7
69.03424	7.1
69.07056	10.0
69.12608	2.6
71.04990	14.3
71.41389	2.7
79.05495	19.6
81.07072	21.4
83.04976	6.6
84.03601	2.8
85.06567	5.0
86.33808	2.6
91.05052	2.7
91.05498	27.7
93.06487	4.8
93.07054	61.2
95.04974	49.2
95.08620	63.9
97.06532	15.8
98.20719	6.1
103.05483	2.7
105.07041	71.3
107.04937	6.0
107.08601	46.2
108.11580	2.9
109.06519	14.6
109.10166	6.0
111.08084	3.1
115.05448	5.3
117.07037	23.1
119.08578	21.4
121.06517	17.7
121.10157	16.5
123.08064	25.1
123.11761	3.2
129.07004	5.7
130.07823	13.9
131.08551	8.2
133.06500	10.4
133.10161	13.9
135.08083	20.6
135.11688	14.7
137.05937	2.8
137.09669	4.0
142.07770	5.0
143.08548	12.1
145.10136	70.8
147.08022	10.4
149.09677	6.1
151.07581	42.2
155.08545	3.6
157.10124	10.5
159.07970	3.7
159.11633	9.6
161.09679	4.4
161.13246	3.5
163.11195	58.2
165.09102	13.8
171.11711	4.3
172.71858	2.7
173.09569	4.3
173.13280	4.8
175.11223	5.9
177.09071	4.2
179.08632	2.9
181.10272	2.6
181.12125	3.9
182.87399	2.9
183.11565	3.8
187.11191	3.9
189.12712	6.8
191.14186	4.0
197.13187	4.6
203.14360	7.4
207.13797	4.9
209.15414	4.6
221.15399	30.6
223.14841	3.9
225.16263	3.0
233.15425	3.6
263.16531	8.2
269.15356	5.8
286.19235	4.8
287.19714	2.9
325.21561	17.1
343.22684	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
53.19302	1.7
55.01854	2.8
55.05503	8.3
57.03434	4.5
63.91178	1.6
64.84055	1.7
67.05167	2.4
67.05506	20.3
69.07082	17.0
70.02953	50.0
70.06615	3.6
71.05011	2.8
72.08132	1.9
74.02448	19.2
79.05489	11.6
80.88250	1.7
81.03405	6.6
81.06590	2.5
81.07062	50.3
83.04983	4.6
83.08605	5.8
84.08142	2.1
85.02902	6.7
85.06539	4.9
87.05596	75.3
88.03486	3.5
88.04000	57.7
88.04542	2.8
91.05488	13.6
93.07055	16.6
95.04950	8.2
95.08611	18.9
97.06534	5.1
98.02387	1.7
98.20815	3.7
99.04453	1.7
100.11256	7.4
105.07030	23.4
107.04987	2.1
107.08090	1.6
107.08621	15.4
109.06517	5.8
109.10163	7.4
111.08079	4.6
111.11649	2.1
114.46009	1.7
115.05041	3.7
116.03455	9.3
116.07125	2.3
117.07024	1.7
119.08601	18.8
121.06503	2.5
121.10140	20.6
123.11696	18.1
124.03912	2.3
125.05946	2.5
127.07541	1.9
133.02841	2.0
133.06096	100.0
133.10143	6.1
135.11694	4.9
137.05969	6.9
137.09534	1.9
137.13219	4.4
145.05049	2.5
145.10132	7.7
147.04417	4.0
147.10503	3.0
147.11690	38.4
149.13284	3.1
153.05411	2.8
153.12767	2.6
157.12366	2.1
157.89023	1.8
159.11552	2.6
161.13338	1.9
163.11104	11.4
165.12756	26.0
174.09946	2.1
175.03903	2.5
175.11220	4.0
181.12230	4.8
183.13763	2.0
190.15918	14.1
193.12262	5.7
229.14389	2.8
234.14999	2.7
250.84686	2.5
252.15967	2.5
262.14508	8.5
279.17032	38.1
280.15445	52.2
283.09650	1.9
289.25156	2.0
298.16699	1.9
307.16483	23.0
307.26337	2.9
308.01285	1.7
308.14911	20.7
325.10770	2.3
325.18182	13.6
326.15958	5.3
330.40192	2.1
343.11777	7.4
343.18430	3.0
343.30731	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	343.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03345	0.8
53.03936	2.0
55.01867	1.5
55.05508	1.5
57.03435	3.8
61.02925	3.8
67.05488	1.9
69.03435	11.3
69.05203	0.7
69.07053	0.9
71.01331	0.8
71.04996	1.8
71.32747	1.3
73.02912	2.6
79.05489	3.5
81.03433	3.8
81.07053	8.2
83.04969	4.4
85.02910	30.3
87.04494	1.1
91.03931	2.1
91.05489	5.3
93.07043	8.8
95.04976	18.4
95.08614	1.7
97.02886	7.2
97.06525	3.4
99.04465	2.3
99.08089	2.8
103.03946	0.9
103.20975	0.7
105.07044	8.3
107.04977	11.7
107.08595	10.1
108.61095	0.7
109.02883	3.4
109.06500	2.2
109.10115	0.8
117.07014	3.0
119.04984	1.3
119.08586	5.0
121.06510	2.8
121.10149	10.4
123.04398	1.1
123.08101	1.1
125.05997	11.6
126.10987	0.7
127.03931	6.8
129.06934	1.0
130.07808	2.5
133.06512	1.6
133.10123	1.0
135.08026	1.2
135.11708	6.7
137.05984	2.1
143.08533	1.2
145.04970	6.6
145.10124	19.2
147.04404	4.0
147.08044	1.6
149.05997	1.0
149.09633	0.9
151.15710	0.8
153.05452	1.1
161.09657	0.8
163.11189	100.0
165.09111	4.1
167.07024	1.0
175.11206	1.5
181.12227	15.2
183.10242	1.3
205.12241	0.9
223.13307	1.2
289.14587	1.0
302.40891	0.9
307.15417	0.8
343.13623	2.2
343.17575	1.8
353.34253	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03345	0.8
53.03936	2.0
55.01867	1.5
55.05508	1.5
57.03435	3.8
61.02925	3.8
67.05488	1.9
69.03435	11.3
69.05203	0.7
69.07053	0.9
71.01331	0.8
71.04996	1.8
71.32747	1.3
73.02912	2.6
79.05489	3.5
81.03433	3.8
81.07053	8.2
83.04969	4.4
85.02910	30.3
87.04494	1.1
91.03931	2.1
91.05489	5.3
93.07043	8.8
95.04976	18.4
95.08614	1.7
97.02886	7.2
97.06525	3.4
99.04465	2.3
99.08089	2.8
103.03946	0.9
103.20975	0.7
105.07044	8.3
107.04977	11.7
107.08595	10.1
108.61095	0.7
109.02883	3.4
109.06500	2.2
109.10115	0.8
117.07014	3.0
119.04984	1.3
119.08586	5.0
121.06510	2.8
121.10149	10.4
123.04398	1.1
123.08101	1.1
125.05997	11.6
126.10987	0.7
127.03931	6.8
129.06934	1.0
130.07808	2.5
133.06512	1.6
133.10123	1.0
135.08026	1.2
135.11708	6.7
137.05984	2.1
143.08533	1.2
145.04970	6.6
145.10124	19.2
147.04404	4.0
147.08044	1.6
149.05997	1.0
149.09633	0.9
151.15710	0.8
153.05452	1.1
161.09657	0.8
163.11189	100.0
165.09111	4.1
167.07024	1.0
175.11206	1.5
181.12227	15.2
183.10242	1.3
205.12241	0.9
223.13307	1.2
289.14587	1.0
302.40891	0.9
307.15417	0.8
343.13623	2.2
343.17575	1.8
353.34253	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	7.6
55.05507	18.9
57.03436	5.1
67.05503	21.4
69.03427	6.7
69.07076	22.1
69.54299	24.4
70.06606	5.5
71.04986	7.8
79.05497	27.0
81.03408	4.0
81.07060	72.4
83.04975	11.4
83.08608	8.3
85.06549	20.9
86.09723	5.7
91.05485	11.0
93.07046	21.9
95.04989	28.5
95.08598	9.6
97.06538	39.5
98.20685	6.9
99.04456	11.6
100.11264	84.9
105.07027	29.9
107.04943	9.0
107.08591	13.1
109.06526	39.2
109.10184	8.3
111.08071	4.7
113.06018	6.3
117.07039	6.5
119.08599	9.7
121.06507	29.3
121.10139	11.3
123.04395	4.3
125.06005	31.6
127.07581	21.7
128.06284	3.9
129.06973	4.9
131.08536	12.8
133.06535	5.8
133.10123	10.6
135.08043	4.1
135.11685	8.4
137.05995	47.9
143.07027	11.6
143.08571	7.5
145.06488	7.4
145.10135	60.5
147.04405	3.7
147.11716	7.8
149.05937	5.3
151.07545	5.7
153.05482	9.0
155.07008	5.4
158.07253	4.9
159.11707	12.6
163.11200	43.7
169.06395	4.9
169.10139	5.8
173.08286	6.0
173.09634	48.8
181.12225	9.4
187.11209	45.4
189.09129	3.8
191.10628	24.9
197.09595	4.5
205.12236	30.4
209.11734	17.3
209.16454	18.1
215.10664	36.0
227.17546	3.9
233.11700	36.9
241.43008	4.0
251.12823	38.7
307.15259	7.6
325.16592	5.1
343.11850	8.9
343.17346	48.0
343.30695	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75674	0.3
54.18637	0.3
65.03934	0.7
70.45532	0.7
70.45894	0.7
91.05484	9.3
114.93783	0.3
119.04951	23.8
127.70765	0.3
137.59062	0.4
147.04419	100.0
148.04738	1.0
148.35609	0.3
169.43037	0.4
208.87361	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01627	3.3
55.01864	7.3
55.05505	8.9
57.03421	4.3
65.03936	4.2
66.01301	3.4
67.05510	19.9
69.03428	7.8
69.07071	29.5
69.19599	6.8
69.20013	26.9
70.06577	10.4
71.04993	7.7
71.58414	3.4
79.05510	20.5
81.07060	41.0
83.04996	15.8
84.04492	3.5
84.73055	3.8
85.02889	6.0
85.06532	8.2
91.05480	19.8
93.07061	25.2
95.04962	19.7
95.08606	13.5
97.06532	41.7
98.21526	7.5
99.04450	20.6
105.07034	37.4
107.04936	13.9
107.08608	21.8
109.06538	17.4
109.10136	7.5
111.08086	6.8
117.07027	9.5
119.04908	8.0
119.08608	11.4
120.04475	3.4
121.06540	24.3
121.10164	9.9
123.04485	3.4
123.08050	3.9
123.11671	3.6
125.06012	30.9
125.09579	5.0
127.07558	7.6
129.06993	6.7
130.05045	4.5
130.07794	8.0
130.89391	2.9
131.04962	5.1
131.08551	10.2
133.02858	8.7
133.06468	6.7
133.10110	6.2
135.08037	6.4
135.11681	9.8
137.05984	27.0
143.07069	15.9
143.08583	3.3
145.06447	4.7
145.09042	5.4
145.10143	71.4
148.03940	34.0
149.05991	4.2
153.05473	4.5
158.07303	9.3
159.08034	6.6
159.11694	23.5
163.07439	3.1
163.11203	100.0
166.04906	4.2
169.10103	6.4
170.94133	3.5
172.08914	3.5
173.09625	48.7
175.07480	3.8
179.08609	3.5
179.14299	3.2
183.43144	3.7
187.11180	53.3
189.12778	3.9
190.05087	3.3
191.10728	25.6
197.09659	4.9
201.05472	6.8
205.12288	36.8
209.11739	8.4
215.10678	36.9
233.11766	43.2
251.12808	9.4
283.10648	4.1
301.11905	21.7
307.15262	5.9
325.16507	4.1
343.11853	11.5
343.17691	18.3
343.25824	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	343.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
55.05497	0.8
57.03427	0.5
61.02918	0.5
65.03952	1.1
67.05508	1.1
69.03431	1.8
69.07059	0.8
70.06587	2.0
71.05006	0.6
71.52790	0.7
72.08154	0.7
72.11002	0.5
79.05486	0.7
80.49348	0.5
81.03407	0.7
81.07067	2.5
83.04982	0.5
84.04515	0.9
84.08140	1.1
84.75214	0.4
85.02925	2.6
85.30976	0.5
86.09705	1.6
89.81087	0.4
91.05486	12.4
93.07027	1.2
95.04951	1.2
97.02918	1.1
99.05567	0.8
100.11249	0.5
105.03364	0.6
105.07012	0.9
107.04975	2.4
107.08604	1.5
109.06500	1.0
111.05582	1.9
116.07108	0.7
117.07033	0.5
119.04952	27.0
121.10155	0.9
123.04493	0.6
123.08089	0.5
124.07636	0.8
125.06100	0.5
125.07101	0.8
126.07401	0.7
135.04424	0.5
137.05989	2.6
139.05026	3.4
139.07567	0.6
140.05385	1.3
145.10168	0.5
146.45000	0.6
147.04420	100.0
148.04761	1.4
149.06033	1.2
162.02180	0.6
163.07518	1.0
163.11185	3.3
163.14894	1.4
165.09070	0.7
167.11873	0.7
168.12135	1.2
173.09375	0.5
181.05009	1.2
181.08574	0.6
195.11287	3.7
196.11682	6.6
198.96912	2.8
200.10104	0.8
205.12294	2.3
216.98103	2.4
222.68152	0.6
238.99980	0.8
240.97897	0.7
271.10123	0.7
325.15945	2.3
343.01425	0.7
343.13684	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	343.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
63.72676	0.4
65.03928	1.1
69.63524	1.8
69.63942	0.7
79.64497	0.4
85.02901	0.6
91.05484	11.2
98.20753	0.6
103.66042	0.4
104.32552	0.4
119.04946	24.3
128.61255	0.4
130.24863	0.4
147.04414	100.0
148.04749	0.5
156.93221	0.4
165.05466	1.4
289.87640	0.5
295.86777	0.5
343.13715	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	343.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29885	0.4
52.67008	0.4
60.22078	0.3
61.04128	0.4
65.03930	0.6
67.35484	0.4
70.65070	0.9
76.81889	0.3
78.09492	0.3
83.14185	0.5
85.02897	0.5
91.05488	10.9
95.04962	0.4
95.05602	0.4
96.78223	0.3
105.17589	0.4
119.04948	24.4
147.04417	100.0
148.04753	0.6
156.65874	0.4
165.05518	0.4
181.05034	0.4
182.02948	0.4
236.06343	0.4
266.77701	0.4
343.13550	1.3
368.30487	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23898	0.5
56.30947	0.6
56.86802	0.5
56.96500	2.0
56.96762	0.6
58.97341	0.6
69.93901	1.4
69.94314	2.0
98.20787	0.9
98.97590	21.6
99.97876	1.0
116.98623	10.1
134.99599	2.6
158.99852	0.8
174.97591	2.2
176.97301	2.0
177.00954	2.9
180.96739	0.8
182.99892	0.9
198.97681	2.2
216.95555	0.6
216.98810	9.3
217.98805	1.1
218.98552	3.7
219.01990	7.0
220.01892	1.0
222.97723	1.1
234.96553	1.8
234.99881	11.2
236.00072	1.4
236.99542	4.1
240.98926	12.9
241.98975	0.9
253.01012	0.7
258.05060	0.6
258.96634	2.8
258.99985	37.4
260.00021	6.9
260.99646	1.8
261.03021	5.6
264.98755	3.9
273.98697	1.1
274.97644	1.2
276.97583	3.9
277.00983	15.1
278.01013	5.4
278.96994	1.2
279.00681	1.5
283.00000	100.0
284.00153	4.2
291.99594	1.0
300.97632	14.0
301.01016	93.4
301.97992	1.0
302.01086	4.4
318.98590	15.5
319.02103	2.8
319.98337	1.1
324.02701	2.3
325.01007	21.3
326.01285	0.7
342.98691	6.0
343.02158	78.1
344.02365	2.2
360.99573	7.9
361.03244	12.1
362.03159	0.8
366.03775	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.1
55.05507	5.6
57.03426	2.2
57.07087	11.9
62.06090	2.8
67.05512	11.3
69.03446	2.1
69.07056	4.4
69.56612	12.7
69.94492	1.5
71.08633	5.6
73.99986	1.8
79.05506	3.9
81.03411	2.3
81.07072	13.0
83.04964	3.5
83.08622	1.8
91.05488	6.7
93.07047	6.9
95.04957	3.1
95.08618	4.6
97.10177	2.3
99.08096	2.1
105.07056	5.1
107.08578	6.7
109.06497	2.4
109.10175	8.2
119.08578	3.7
121.10137	2.5
123.08084	2.5
123.11749	2.9
131.08606	2.4
133.10156	12.0
135.11659	2.6
137.09651	4.1
145.10126	3.1
149.09636	2.3
151.11201	13.5
156.17422	2.7
163.11226	3.1
174.18558	3.9
177.12766	2.4
179.10732	2.6
183.13837	4.0
183.72218	1.7
183.73883	1.8
230.24821	4.3
231.72356	1.7
257.18860	2.0
275.20132	9.4
293.21210	4.9
307.22723	7.8
339.68649	1.7
342.37335	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	342.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44782	4.6
55.01875	10.7
55.05513	45.2
57.03445	6.6
67.05510	78.7
69.03423	12.6
69.07075	81.7
70.21844	4.9
70.97397	6.1
72.57448	5.3
73.06554	5.7
76.48864	4.5
79.05493	67.4
81.03444	7.9
81.07062	82.2
83.05002	9.3
83.08626	29.2
85.06544	7.9
87.57196	4.5
91.05489	60.2
93.07043	100.0
95.04964	15.2
95.08614	52.5
97.06532	18.6
97.10159	33.7
105.07029	60.2
107.04921	7.1
107.08597	71.2
109.06550	5.4
109.10147	27.7
111.08089	7.3
114.62903	5.1
117.07014	10.9
119.08568	40.8
121.06504	5.7
121.10146	36.9
123.08092	6.8
123.11721	8.7
125.09647	34.9
129.07013	6.3
131.08574	24.7
133.10138	44.3
135.08064	23.5
135.11700	32.8
137.09618	14.8
142.25757	5.8
143.08519	6.6
145.10123	32.8
147.11682	21.9
149.09634	15.3
149.13286	10.5
153.09160	8.9
157.10127	10.7
159.11711	20.3
161.13335	7.5
163.11217	8.9
171.11638	7.0
173.13286	13.3
177.12814	8.6
181.12311	10.8
199.14769	6.5
203.12779	43.9
213.46582	6.7
217.15887	11.5
228.38020	7.2
229.19568	6.3
239.18050	10.3
247.20653	7.3
252.74506	5.8
257.19000	19.8
275.20078	83.4
286.17972	6.5
289.21606	30.7
307.22678	15.8
311.51929	6.1
331.98892	5.6
342.26407	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	342.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07637	1.0
53.03945	2.4
55.01880	5.8
55.05515	50.1
57.03428	2.8
57.07075	1.1
59.04994	2.1
61.65155	1.0
62.80052	0.9
65.03944	1.1
67.05507	17.1
69.03438	5.5
69.07073	29.1
69.25037	0.8
70.19213	1.0
70.78576	2.9
75.30065	0.9
79.05495	29.7
81.07066	19.5
82.78997	0.9
83.04969	4.1
83.08153	1.7
83.08627	28.8
85.00218	1.0
85.06538	1.9
91.05481	13.5
93.07055	13.9
95.04979	2.4
95.08617	9.4
97.06537	7.5
97.10179	70.1
99.08089	1.3
100.19387	1.0
104.63028	1.1
105.07038	12.8
107.04961	2.4
107.08604	90.4
109.06505	2.4
109.10189	4.8
111.08089	4.0
117.07008	4.8
119.08595	7.0
121.06445	1.9
121.10139	4.5
122.45086	1.1
123.08102	1.3
125.09639	73.9
129.06982	1.3
131.08553	3.0
133.10126	7.0
135.08061	16.4
135.11722	3.1
137.13289	1.3
145.10130	9.2
147.11661	5.8
149.09627	5.0
149.13229	1.6
151.07452	0.9
153.09111	13.4
157.10210	1.0
157.12244	6.1
159.11728	6.2
161.13216	3.5
163.11150	1.9
167.10748	1.4
170.11795	1.8
171.10196	2.2
171.11684	2.4
173.13326	4.8
177.12822	1.8
181.12199	3.7
183.11620	1.4
185.11711	2.7
187.11244	2.3
189.13092	1.5
191.14313	1.3
193.12204	1.2
203.12793	100.0
213.14844	1.2
229.19406	2.1
239.17889	4.0
257.19052	14.9
275.20074	45.6
276.20346	1.3
289.21619	20.4
289.84479	1.1
292.91064	0.9
307.22723	15.7
343.22607	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
55.01870	12.7
55.05515	31.4
57.03430	7.1
57.07067	8.6
66.58708	2.1
67.05507	72.6
69.03424	4.1
69.07074	18.2
70.70235	5.3
71.04990	2.8
71.08641	2.9
77.03896	2.5
79.05499	30.6
81.03408	9.1
81.07063	68.7
83.04975	17.1
83.08624	17.6
85.06539	11.2
91.05482	41.4
93.07053	40.6
93.52460	2.2
95.04968	14.5
95.08607	30.6
97.06525	4.7
97.10109	4.5
99.08092	3.0
105.07035	46.1
107.04947	9.8
107.08608	48.1
109.06505	7.3
109.10158	68.3
111.08121	5.6
117.07005	5.5
119.08598	20.0
121.06509	3.3
121.10123	14.3
123.04427	3.1
123.08072	10.5
123.11697	19.9
125.09663	11.2
131.08575	10.6
133.06511	2.4
133.09119	5.4
133.10133	100.0
135.08014	2.6
135.11703	11.4
137.09601	15.2
145.10121	12.9
147.11667	5.8
149.09631	8.7
149.13245	4.2
151.09970	5.3
151.11188	94.7
157.10097	3.2
159.11696	6.5
161.09645	3.7
161.13287	2.6
163.11220	16.8
165.09111	6.4
165.12721	3.8
173.13268	2.8
173.83624	2.3
177.12790	4.0
179.10696	15.8
179.12029	2.6
183.13820	39.1
187.14862	2.3
191.14348	4.2
193.12314	2.8
207.13901	2.9
209.11800	3.3
211.13380	3.0
229.14395	5.4
229.19514	4.2
237.14720	3.3
239.17909	3.7
247.20674	7.3
257.19040	8.2
275.20093	52.5
291.79861	2.7
293.21191	21.4
300.20032	2.8
307.22629	26.0
325.23688	4.1
342.31015	3.3
342.37305	46.8
363.24536	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	342.176
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93999	0.7
57.03440	11.4
57.07080	11.4
59.05001	0.9
59.89541	0.7
65.03957	0.7
67.05500	2.8
67.34370	0.9
68.12584	0.7
69.03425	3.5
70.06590	3.3
70.68096	0.8
71.04994	2.5
71.07770	1.8
81.03428	1.1
84.04527	0.7
85.02914	11.3
85.06551	18.8
86.09718	2.3
91.05472	1.5
95.04994	3.7
97.02934	2.0
101.06020	3.5
103.07591	100.0
104.07907	0.9
113.06024	5.1
117.09106	1.3
117.30497	0.9
119.04966	2.1
119.23051	0.7
120.08125	1.7
127.03948	2.2
127.07564	12.8
131.07063	2.4
137.06058	1.2
145.04970	2.2
145.08601	8.2
147.04428	7.4
163.09674	48.0
179.03442	5.7
180.03616	6.8
180.05145	0.9
180.10123	1.3
195.11276	1.9
275.58029	0.8
295.12326	0.8
320.87811	0.7
343.13437	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01869	0.5
55.05517	7.2
57.03435	0.5
57.07079	11.1
59.04992	0.5
61.02914	1.8
69.03436	3.2
69.07079	0.5
70.06585	1.6
70.17187	1.5
70.17536	0.4
71.04990	0.5
81.03403	1.1
83.08634	2.6
85.02914	13.9
87.04472	0.5
88.62506	0.4
89.06041	31.3
91.03956	0.7
97.02898	3.7
98.20821	0.5
98.97607	0.4
99.04431	0.5
101.09667	13.7
101.10339	0.9
107.07079	31.4
107.86652	0.4
109.02862	1.0
127.03921	1.7
137.05965	0.5
145.04968	2.3
145.12143	0.7
147.04446	0.9
163.13307	100.0
235.22168	0.4
296.19904	0.4
319.82462	0.4
343.17319	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67229	2.9
53.03944	7.3
55.01885	19.8
55.05517	21.4
57.03435	13.7
57.07069	8.3
67.05178	5.1
67.05512	73.6
68.58282	3.6
68.99477	3.5
69.03422	11.5
69.06759	3.5
69.07072	30.9
70.12465	14.0
71.04996	12.2
71.08612	3.3
71.14501	4.0
79.05494	35.7
81.03414	10.2
81.07063	70.8
83.04993	17.0
83.08606	15.1
85.02912	4.0
85.06542	8.9
91.04966	6.2
91.05488	65.7
93.07046	44.9
95.04975	18.4
95.08612	18.8
97.02866	4.6
97.06542	90.3
97.10176	9.6
98.20854	5.0
99.04465	8.2
100.69242	2.9
101.02385	3.0
105.07041	57.5
107.04973	7.4
107.08603	51.6
109.06556	21.5
109.09462	6.4
109.10165	89.5
111.04442	4.5
111.08112	19.6
113.06005	13.8
117.07011	12.0
119.08576	28.8
121.06538	7.5
121.10179	5.9
123.04364	5.0
123.08054	7.4
123.11726	10.9
125.09587	6.9
129.06993	3.4
131.08560	11.6
131.13708	3.2
133.10152	100.0
135.08118	7.3
135.11707	8.8
137.05966	4.8
137.09625	5.0
143.08569	5.9
145.10126	7.3
147.08055	3.5
149.09622	8.0
151.07567	3.8
151.11185	46.5
157.10153	4.1
159.11687	4.3
161.09602	8.0
163.11179	3.6
169.10352	3.7
169.12234	11.6
173.09599	5.4
173.74564	3.1
175.27570	3.5
177.09087	4.2
179.10666	4.2
181.85626	3.2
193.12283	5.4
206.24672	3.6
215.12669	6.2
225.36385	3.6
240.23227	37.6
253.12715	3.9
261.18417	8.8
269.10446	4.2
271.17105	6.4
289.17953	24.2
292.12180	4.7
307.19025	23.2
342.24393	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.6
57.03448	5.9
57.07056	0.6
59.04979	1.0
61.02935	1.2
69.03422	2.4
69.84971	3.0
71.04990	1.8
71.08626	2.7
73.02928	0.8
77.87290	0.5
79.05515	1.0
81.03410	1.5
81.07057	3.3
85.02911	13.5
85.06544	4.2
91.03979	1.1
91.05465	1.7
97.02876	3.2
99.08101	13.2
99.08646	0.5
105.07044	0.7
109.02930	1.2
109.06525	3.0
109.07684	0.7
117.09139	100.0
118.55083	0.5
119.04946	2.9
127.03915	1.1
127.07565	4.2
145.04991	2.6
145.08611	1.4
146.24223	0.5
147.04414	11.7
162.05417	0.9
163.03911	1.7
163.09665	17.1
163.10982	1.1
172.91437	0.5
250.38451	0.5
346.23993	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50594	0.9
57.03440	11.6
57.06824	1.3
57.07079	14.4
59.04996	1.3
61.02929	1.4
61.48143	0.9
67.05514	1.0
67.87566	0.8
68.70222	0.8
69.03435	4.0
69.68649	4.2
70.06588	1.0
71.04992	3.7
85.02902	8.9
85.06080	1.1
85.06554	17.9
95.04963	3.7
97.02884	2.3
101.06016	3.0
103.07589	100.0
103.60387	0.9
109.02881	1.0
112.33327	0.8
113.06015	6.3
119.04936	1.2
127.03871	0.9
127.07581	11.1
131.07011	2.5
141.21213	0.9
145.04874	1.2
145.08633	7.3
147.04428	6.9
163.09676	45.4
179.03416	4.2
180.03722	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	341.1384
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
55.01861	1.3
55.05511	1.5
66.74050	0.9
67.05496	2.5
69.03425	1.9
70.30100	2.3
70.30489	2.0
71.04961	1.4
79.05493	2.9
81.03404	1.9
81.07048	4.1
81.84806	1.0
85.02850	1.4
91.05486	6.0
93.07042	2.4
94.04173	2.9
95.08601	2.5
95.85536	1.1
96.54130	1.1
103.05489	1.2
105.07028	5.2
107.04935	2.2
107.08567	1.4
109.06565	1.7
109.10132	1.6
115.05447	3.0
115.40776	1.0
116.06293	0.9
117.07026	3.1
119.04946	2.0
119.08614	5.6
121.06506	1.6
121.10166	2.2
121.40549	1.0
121.41462	1.0
122.03622	8.1
125.09625	1.4
127.63721	1.0
128.06212	2.1
129.06998	4.4
131.04912	2.5
132.05705	3.0
133.06464	3.9
137.05994	100.0
143.01952	1.0
144.08073	1.9
145.06480	2.2
147.04462	5.9
147.08063	5.2
149.06023	1.4
151.07533	1.8
153.91399	1.0
155.04927	1.2
159.07997	1.4
160.05193	3.1
161.05972	11.4
172.05263	1.2
175.07570	48.0
177.09099	2.7
187.07561	8.5
189.09018	2.6
190.07849	2.7
191.08604	7.2
199.07521	3.5
202.07816	2.2
203.08594	4.9
207.08195	1.2
208.08788	1.3
217.08604	2.3
218.07173	1.5
219.08073	10.0
220.08759	2.8
231.08080	6.7
236.08363	1.7
247.07552	5.6
248.08344	3.0
251.10707	15.6
259.07382	2.2
260.08151	1.3
263.10605	3.0
264.07822	1.8
276.07809	1.3
277.08514	2.2
279.10211	14.7
281.07806	1.1
281.11600	1.5
291.10236	6.4
292.11096	1.3
296.10480	1.4
309.11035	1.7
311.12762	17.3
312.22278	1.1
316.12497	2.6
316.62527	2.4
323.12875	6.7
324.14023	1.4
341.10339	1.9
341.13879	12.8
341.20767	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	341.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.01867	3.0
67.05492	4.6
69.03420	2.6
69.07072	2.4
70.06596	2.6
70.56960	3.6
71.04982	1.4
74.02425	4.0
79.05506	7.5
81.07051	5.1
84.08136	4.1
85.06554	1.5
91.05492	12.9
92.05827	1.5
93.07040	3.3
94.04192	1.5
95.08609	1.8
98.97583	1.2
103.05476	5.5
105.07037	19.9
106.07362	2.4
107.04958	5.6
107.08570	1.3
109.06510	2.4
113.03498	2.4
115.05460	6.9
116.06239	1.5
117.06998	2.8
118.04177	1.5
119.04948	4.3
119.08595	4.7
120.08977	1.4
121.06554	1.4
121.10159	1.4
122.03654	5.6
128.06235	3.8
129.06995	6.4
130.08672	2.2
131.04948	2.0
131.08644	2.1
132.05759	1.6
132.08893	1.2
133.06497	14.5
133.10130	4.7
134.10461	2.5
137.05986	100.0
143.06073	1.6
147.04424	10.0
147.08043	5.6
147.11725	2.5
148.09700	3.2
148.12021	1.6
149.06070	1.7
149.10063	1.4
152.11508	1.6
156.05774	1.4
157.06529	1.7
159.08070	5.3
160.05240	1.8
161.05997	27.0
161.09688	1.7
163.07510	2.8
167.07059	1.9
172.05238	6.9
174.06708	1.8
175.07562	29.0
175.11108	1.4
176.11537	1.9
179.07069	2.2
187.07559	29.6
189.09132	2.7
190.07762	3.3
191.08582	9.2
199.07538	2.7
202.07787	2.4
202.10760	4.0
203.08560	3.8
217.08580	5.6
218.07263	2.7
219.08066	11.7
231.08038	4.8
247.07593	5.4
248.08385	4.4
249.09048	1.4
251.10661	12.5
259.07507	2.5
263.10660	4.4
265.08643	1.5
276.07773	2.2
277.08591	1.5
279.10153	14.6
281.08133	1.6
281.11444	2.5
282.71643	1.3
291.10162	8.6
292.10995	1.5
295.35214	1.4
297.10959	1.5
305.15152	1.3
305.19370	3.4
309.11166	4.3
311.12811	21.2
313.10959	1.4
323.12744	7.2
323.20200	2.0
341.13824	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27361	0.8
53.03944	1.6
55.01874	1.4
55.05504	2.9
56.09598	0.9
56.96576	1.2
57.03431	1.4
57.07074	1.9
65.03939	1.1
67.05503	5.8
69.03421	2.2
69.07070	9.0
69.35150	6.3
71.04981	2.4
75.65394	1.1
79.05502	6.0
81.03409	1.4
81.07057	17.1
83.08640	1.7
85.06538	3.2
91.05474	7.8
92.05791	1.0
93.07048	11.1
94.04180	3.2
95.04969	7.2
95.08614	10.8
96.05331	1.1
97.06520	2.6
97.10191	1.5
98.20694	1.6
98.68637	1.2
99.04444	1.9
100.11243	2.6
103.05470	2.6
105.03387	1.3
105.07044	10.6
107.04980	1.8
107.08611	5.2
109.06519	5.7
109.10162	7.8
111.08086	3.0
111.11732	1.6
115.05455	2.8
117.07018	1.8
118.06532	0.9
119.04965	5.9
119.08583	7.7
120.05273	1.9
121.06513	2.3
121.10170	5.5
122.03654	9.2
123.04435	6.8
123.11713	8.2
124.04774	3.6
125.09653	2.8
127.03938	1.4
128.06174	1.8
129.07022	4.6
130.94197	1.1
130.95203	1.0
131.04939	3.1
131.08606	1.5
132.05733	2.1
133.06491	3.9
133.10147	2.4
134.90305	0.9
135.08162	1.4
135.11670	3.0
137.05989	100.0
137.09622	1.6
137.13245	1.1
139.11160	2.3
140.11723	0.9
140.12846	0.9
143.08650	1.0
144.05682	1.4
145.06500	1.2
147.04443	5.4
147.08054	2.0
147.11710	2.0
149.05986	1.8
149.13348	1.4
151.11159	1.3
153.12758	1.3
156.05734	1.6
157.06563	1.2
157.10208	1.2
159.08072	3.2
159.11749	2.3
160.05220	2.2
161.05992	12.0
161.09593	1.0
161.13226	1.2
163.07578	1.9
165.12831	1.1
167.06989	2.5
167.10667	1.2
171.08031	1.4
172.05182	1.3
175.07564	25.5
176.14378	10.6
177.14705	16.9
184.05315	1.2
187.07555	10.1
189.07025	1.6
189.08923	1.6
190.07814	3.9
191.08546	6.9
192.09236	1.1
199.07564	9.1
202.07861	5.0
203.08624	5.3
217.08519	2.2
218.07324	3.4
219.08081	13.6
220.08797	2.7
221.05791	1.0
221.09555	1.6
227.06831	1.0
231.08047	5.4
231.17419	1.2
234.06795	1.9
236.08307	1.9
237.09169	1.3
241.11183	1.9
246.06918	1.2
247.07549	5.7
248.08235	4.7
249.09152	3.4
249.18555	1.4
251.10684	13.1
259.07593	4.1
259.12100	1.2
263.10629	3.4
264.07986	1.0
265.08499	1.2
277.08569	2.3
279.10205	13.2
280.10803	1.6
281.11752	1.4
291.10129	7.6
292.10938	4.2
295.13284	1.1
296.10413	1.3
305.24707	3.3
309.11237	2.9
311.12744	15.4
319.12207	1.3
323.12576	5.8
323.25687	1.6
341.13531	9.6
341.19415	23.9
359.14059	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1386
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
53.03938	1.6
55.01868	1.2
57.50519	0.8
67.05494	2.6
69.03417	1.3
69.16373	10.3
70.06591	1.5
71.05006	1.3
76.89500	0.9
79.05495	5.8
81.07055	3.6
83.08638	0.9
84.04526	1.0
84.08147	1.5
85.02886	1.3
91.05478	8.8
93.03381	1.0
93.07054	2.4
94.04195	2.6
94.16409	0.9
95.02451	1.2
95.04986	2.4
95.08624	1.7
96.52159	0.9
97.02915	1.0
98.21532	2.0
103.05462	5.4
105.07038	24.8
107.04958	2.8
109.06512	2.0
109.10152	2.1
113.03491	1.7
115.05433	8.4
116.06193	1.2
117.06996	1.4
118.04140	1.9
119.04955	4.5
119.08591	3.5
121.06497	1.8
122.03657	11.2
123.04485	1.6
125.05989	1.2
127.45217	1.1
128.06229	2.2
129.07039	5.0
131.04947	4.6
131.08569	1.6
132.05702	3.5
133.02864	1.2
133.06500	18.4
133.10092	1.8
137.05984	100.0
143.06029	2.2
144.05656	1.1
145.06493	1.6
147.04369	7.0
147.08072	5.5
149.06013	1.8
149.09528	1.1
151.07556	1.3
157.06537	2.1
159.08055	6.4
160.05208	2.6
161.05992	36.8
161.09634	1.3
163.07568	3.4
168.06657	1.3
172.05252	6.0
174.06787	1.1
175.07553	34.4
175.09038	2.2
179.07007	2.2
185.05878	1.1
187.07559	34.6
189.09119	4.3
190.07791	3.9
191.08548	9.9
199.07582	3.3
202.07756	3.0
203.08522	4.6
208.08836	1.3
217.08580	5.8
218.07339	2.9
219.08057	14.4
220.08850	3.1
223.49844	1.1
231.08058	5.3
233.09598	1.2
235.07518	1.2
236.08336	3.3
247.07486	5.7
248.08356	4.4
251.10680	18.4
259.07599	2.9
261.09415	1.0
263.10797	3.8
264.07901	2.4
265.08633	2.2
276.07813	1.6
277.08560	1.5
279.10165	17.2
280.10803	1.1
281.08038	1.1
291.10187	9.0
292.11047	1.3
293.07938	1.8
296.10455	2.8
309.11218	2.0
311.12784	22.1
323.12854	8.7
323.15982	1.5
324.14319	2.5
341.13458	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	341.1385
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01842	1.9
55.05502	2.9
57.03436	1.9
62.88798	1.1
67.05511	6.4
69.03426	4.0
69.07053	5.3
69.16624	1.3
71.04985	4.8
71.53820	2.3
76.54745	1.3
79.05482	4.5
81.07067	15.1
83.08620	1.3
84.51426	1.0
85.02911	1.6
85.06533	4.0
86.09731	1.3
90.72898	1.3
91.05484	5.5
93.07040	4.6
94.04176	1.9
95.04929	2.2
95.08598	7.9
97.06537	1.8
103.05466	1.3
104.15495	1.4
105.07014	4.3
107.04948	4.6
107.08603	2.6
109.06496	2.0
109.10186	7.1
111.08073	5.5
111.11713	1.3
115.05456	2.5
117.07004	1.9
119.08562	3.4
121.06535	1.6
121.10144	3.9
122.03638	5.5
122.04411	1.3
123.11698	6.6
125.09628	12.2
128.06178	1.4
129.06992	7.7
131.04935	3.2
131.08551	1.8
133.02835	5.1
133.10114	1.4
135.11731	3.4
137.05986	100.0
139.11145	2.5
143.04881	1.3
144.05707	3.8
145.06433	2.2
147.08052	1.6
149.05994	4.3
149.13179	1.8
151.03964	3.1
151.07561	5.0
151.11206	2.1
157.06433	6.1
160.05247	3.7
161.05984	2.9
163.07521	2.5
165.05426	3.5
165.06795	1.4
168.05713	1.4
169.12263	3.6
171.13835	2.0
172.05208	4.1
174.06741	6.8
175.07530	18.2
177.05467	4.5
177.09091	3.5
179.07045	4.6
185.06126	1.6
187.05878	2.1
187.07559	35.8
189.09100	14.0
190.07629	1.5
191.08641	2.2
196.05211	2.8
197.05971	2.9
199.07556	3.3
202.07895	3.4
203.08601	10.1
205.06577	2.1
205.08571	2.7
211.07538	12.1
212.04527	2.1
213.05493	2.5
217.08618	14.0
219.08052	8.8
220.08824	4.6
221.09616	2.7
225.05464	1.7
225.09061	1.5
227.07019	19.4
228.07645	2.2
231.08032	12.2
232.08961	3.0
233.05942	2.4
234.06561	2.1
235.07503	2.0
236.08327	2.9
237.09155	1.9
239.07065	8.7
240.07849	13.0
241.05136	2.6
241.08669	3.3
247.07620	7.4
248.08342	20.6
249.08975	3.0
251.06949	1.3
251.10674	4.6
253.08691	2.4
255.06549	14.7
256.07349	7.5
259.07614	7.0
260.08310	3.1
261.09189	2.7
263.07565	2.3
263.10678	17.0
264.07825	4.8
265.08640	7.1
268.07379	3.4
270.08884	38.8
271.09644	41.6
276.07748	9.1
277.08627	6.3
279.10242	9.4
281.08307	2.2
281.11542	2.6
283.09613	11.9
287.23779	1.2
291.10156	47.8
292.10843	4.1
293.08142	4.1
295.13290	1.3
296.10391	5.0
297.11227	2.6
305.24698	3.4
308.10370	6.0
309.11197	3.6
311.12756	13.3
313.14011	1.6
323.12762	46.9
323.25882	1.9
341.13785	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	341.0869
Annotation	AESCULIN
Peak:m/z	Relative Intensity
57.03419	0.2
61.02911	0.3
64.60540	0.2
67.01858	0.3
68.99799	0.9
69.03421	0.4
69.47541	1.6
70.06596	0.5
72.08156	0.3
73.63784	0.2
79.95657	0.2
81.03416	0.4
81.07066	0.2
84.08140	0.3
85.02921	0.5
86.09688	0.3
90.72079	0.2
95.04951	0.2
97.02873	0.2
110.07136	0.2
111.04432	0.6
114.09166	0.2
119.04961	0.4
119.08524	0.2
127.03942	0.3
133.02869	0.2
133.10104	0.3
135.04398	0.2
137.02307	0.3
137.05998	1.8
139.82845	0.2
147.04384	0.8
148.04845	0.2
155.03433	0.3
161.02353	0.3
163.03906	0.8
175.07529	0.2
179.03403	100.0
180.03799	0.3
187.07623	0.4
207.07661	1.8
217.08621	0.4
219.08032	0.2
263.10602	0.3
279.10120	0.3
291.10178	0.6
323.12543	0.9
341.13480	0.9
363.70993	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	340.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26873	3.4
55.01882	6.2
55.05505	10.5
57.03437	6.7
57.07071	3.8
60.39135	3.0
64.93679	3.4
66.08101	3.3
67.05507	46.5
69.03432	7.1
69.07086	15.1
69.07405	3.2
70.52338	3.0
73.40574	3.2
78.01773	2.8
79.05508	22.4
81.07062	61.4
83.04988	18.3
83.08617	5.5
85.06544	10.6
85.53899	3.2
91.05486	41.8
93.07049	31.6
95.04968	3.8
95.08607	14.5
97.06546	5.9
98.63107	2.9
101.32875	2.9
105.07037	43.7
107.08597	36.5
108.27918	3.6
109.06549	6.2
109.10161	53.5
117.07011	5.6
119.08608	10.2
121.06557	7.9
121.10120	8.5
123.11723	14.2
125.05988	5.5
125.09711	3.2
129.07022	4.3
131.08559	8.4
133.10138	91.2
135.08115	6.5
137.12282	2.9
145.10161	4.5
149.09637	7.2
151.11195	100.0
159.08115	3.7
161.09514	3.7
161.52924	3.1
163.11140	3.9
177.09155	8.6
179.10706	13.6
183.13815	31.8
218.27597	3.2
229.14401	4.4
238.98836	3.4
245.52328	3.5
265.13940	3.0
268.59958	3.5
273.18466	14.4
291.19495	14.9
305.20999	19.4
339.77792	5.2
340.29172	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.01884	7.5
55.05506	1.8
57.03437	8.1
61.02911	6.5
68.99803	2.5
69.03085	2.4
69.03434	40.3
69.40605	11.1
70.06609	1.9
71.04993	4.1
73.02908	5.2
73.06593	1.5
81.03423	20.0
81.07043	2.0
84.08163	1.8
85.02908	100.0
87.00832	54.3
87.04450	2.0
91.05486	4.0
97.02895	34.8
99.04453	12.3
103.15607	1.4
105.01867	89.7
108.04495	1.8
109.02889	28.0
115.03907	2.2
117.01814	1.7
119.91848	1.5
120.05257	2.3
122.06175	1.4
126.05522	2.0
127.03922	78.4
129.01802	1.7
130.08714	1.8
133.10066	2.1
143.07060	3.0
145.04976	36.9
147.03035	1.9
147.04408	7.9
148.04759	8.3
159.02875	8.2
161.08124	2.0
162.76279	1.4
189.03943	5.1
213.03941	2.2
231.05003	31.8
249.05992	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	340.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56054	1.6
51.74418	1.6
53.03946	2.5
55.01875	3.1
55.05517	4.8
57.03430	1.7
57.07087	3.2
58.06607	28.8
60.04545	2.2
67.05515	13.4
69.03428	3.6
69.07067	5.4
70.05883	7.1
70.06604	2.5
71.04996	6.2
74.02451	86.6
79.05500	25.0
81.07072	19.6
83.04991	3.5
83.67715	1.6
84.08153	59.6
85.02909	2.6
85.06548	3.6
86.09703	4.4
91.05492	63.4
92.05827	9.3
93.07056	16.2
95.04990	15.4
95.08614	4.0
97.06551	1.8
97.10217	2.0
98.20808	2.0
102.09171	14.8
105.07043	91.9
107.04970	40.4
107.08606	9.2
109.06530	6.5
110.06047	1.7
112.07602	2.7
113.06024	21.3
117.07000	3.9
119.04968	5.9
119.08595	32.0
120.05298	5.2
121.06517	6.8
121.10186	2.6
124.07549	2.6
127.59052	1.8
129.07008	11.1
130.08655	82.0
131.08585	40.8
133.02879	6.1
133.06500	10.0
133.10143	100.0
137.05978	15.0
142.07790	3.8
143.10648	2.0
145.10181	1.9
147.04428	24.7
147.08078	5.5
147.11708	88.3
148.04761	27.0
148.09698	87.0
148.10921	3.7
149.09653	6.4
149.13260	2.5
151.11197	36.1
157.10141	7.5
159.08040	2.2
159.09317	1.9
161.06035	4.6
164.10709	1.7
172.09731	6.1
175.07666	3.1
175.11206	80.6
177.05457	3.3
187.07495	4.2
190.12363	3.1
193.12300	18.7
232.16986	6.1
236.12897	11.1
250.18109	4.5
251.10732	2.2
254.13933	5.2
258.18597	4.0
263.05490	2.2
276.19595	3.1
279.10199	2.6
304.19104	38.0
311.12732	1.8
322.20145	55.5
340.09161	2.0
340.21216	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	339.2531
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03938	3.0
55.01868	2.8
55.05511	17.4
57.03431	7.4
57.07076	2.7
65.03927	2.4
67.05505	86.1
69.07069	13.8
69.92722	7.5
71.05000	2.5
75.04483	2.5
78.83374	1.7
79.05066	3.2
79.05494	42.6
81.03423	3.7
81.07059	97.6
83.03203	1.9
83.04995	2.2
83.08604	8.9
85.06586	1.8
86.09737	2.6
90.39658	1.6
91.05473	24.2
91.16497	1.7
93.07043	59.2
95.08611	87.6
97.06517	5.8
97.10188	4.3
99.08090	4.1
105.07035	23.9
107.08600	45.0
109.06473	4.4
109.10162	56.6
111.08069	3.2
117.07043	8.6
119.08573	21.4
121.10139	38.2
123.11713	18.2
125.09652	1.8
131.08582	19.0
133.10144	16.3
135.08055	2.5
135.11694	33.8
137.09653	4.0
137.13246	5.0
139.11195	2.4
145.10120	21.6
147.11693	16.3
149.09598	1.7
149.13263	23.9
151.11218	4.4
151.98679	2.3
159.08066	3.5
159.11702	22.8
161.13278	6.5
163.14812	7.9
165.12750	4.0
173.13281	14.0
177.12665	2.4
187.14891	6.6
191.14211	2.1
201.16353	2.3
219.21066	5.5
229.19518	39.6
247.20587	100.0
265.21622	7.4
283.16852	3.4
321.24319	18.9
328.59778	1.9
339.25302	31.0
342.26468	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2533
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03943	6.5
55.05509	20.1
55.33497	2.3
57.03424	8.6
57.07068	5.6
62.06069	3.0
65.03933	2.5
67.05508	86.3
67.17429	2.2
69.07069	17.2
69.49712	18.2
71.05000	6.4
73.02930	2.6
79.05494	47.7
81.03415	6.1
81.07056	91.8
83.04990	3.7
83.08611	9.2
85.06537	6.1
91.05482	33.1
92.76380	2.4
93.07048	66.0
95.04952	3.5
95.08614	74.2
97.06537	4.6
97.10159	9.6
99.08073	3.5
104.36306	2.9
105.07034	30.6
107.08602	50.6
109.06535	5.3
109.10165	50.5
111.08060	4.0
117.07008	11.0
119.08593	28.3
121.06509	3.1
121.10143	46.9
123.11719	16.8
125.09669	4.4
131.08578	23.9
133.10139	23.5
135.08047	4.3
135.11705	34.5
137.09587	6.0
137.13266	5.1
145.10123	28.2
147.11687	18.6
149.09653	3.4
149.13266	21.7
151.11194	3.7
159.08032	3.4
159.11707	25.1
161.13254	10.2
163.14839	8.8
165.12709	3.6
171.11649	3.5
173.13268	16.6
175.11227	5.9
187.14842	6.1
219.21056	5.8
229.19524	35.0
247.20584	100.0
262.68835	2.3
271.16785	2.8
275.20004	16.4
283.17026	7.3
289.18149	3.8
289.21686	8.9
307.22647	8.7
321.20837	4.1
321.23993	16.2
329.77448	3.0
339.18634	3.6
339.25290	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	339.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55077	2.2
53.03931	6.8
55.01876	31.5
55.05291	2.6
55.05512	24.1
57.03440	34.5
57.07059	6.9
58.03153	2.2
60.98833	2.3
65.03931	4.9
66.89057	2.1
67.05508	68.6
69.03429	4.0
69.07063	23.7
69.87350	10.1
71.01321	3.3
71.04973	3.9
74.54088	2.5
77.03946	3.1
79.05499	67.9
80.06276	2.7
81.03429	10.4
81.06588	3.9
81.07063	76.9
83.04983	34.3
83.08616	11.7
84.42751	2.7
85.06522	10.9
91.05490	69.9
93.06484	3.6
93.07047	57.9
94.04169	3.9
95.04972	72.4
95.08613	36.1
97.02868	8.6
97.06520	8.9
97.10184	4.1
98.07311	7.2
104.11612	2.6
105.04546	3.8
105.06396	4.7
105.07036	53.0
107.04961	96.3
107.08604	26.9
108.05753	10.3
109.06530	44.5
109.10155	17.1
111.04436	10.9
111.08064	7.5
112.05209	10.5
113.06046	11.7
115.05445	5.0
117.07023	33.0
119.04966	4.6
119.08589	35.6
121.06515	24.5
121.10196	16.0
122.07295	24.7
123.04446	10.8
123.08033	12.2
123.11723	3.9
128.06194	5.9
129.07013	13.3
130.07828	2.4
131.08569	36.2
133.06512	20.2
133.10138	18.1
135.08057	20.2
135.11702	12.9
137.05959	2.9
137.09593	8.7
141.06956	5.1
143.08601	15.4
145.06464	22.0
145.10127	20.9
147.08046	34.6
147.11676	5.8
149.02386	2.7
149.09647	7.9
149.13216	3.7
151.07506	7.4
151.11134	5.3
155.08548	6.6
157.10196	4.2
159.08095	3.1
159.11682	14.4
161.09613	21.9
161.13242	7.2
162.10367	4.2
163.07660	2.3
163.11174	11.7
165.09148	13.9
169.10106	6.7
171.11725	12.6
173.09795	2.3
173.13272	15.5
175.11188	5.3
177.09167	3.2
177.12737	7.8
179.14316	2.7
185.13350	4.1
187.11229	3.0
187.14845	13.2
189.12737	8.4
193.04967	6.6
197.13287	11.7
203.14328	3.1
205.12283	2.4
205.15845	12.5
214.08249	2.4
215.14261	16.7
217.15762	3.2
233.15379	100.0
243.13759	2.9
258.23285	2.4
262.19266	2.6
265.17978	50.4
273.18503	20.6
290.18811	15.2
304.20276	8.7
305.21143	19.3
331.19318	2.4
339.21609	5.0
339.27780	16.2
339.77658	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	339.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	16.1
55.01868	8.4
55.05510	31.7
57.03437	13.0
59.37401	2.5
64.80473	2.9
65.03921	3.4
66.68368	2.4
67.05177	4.1
67.05511	55.2
69.03421	5.7
69.07067	13.8
70.07578	3.0
70.07913	12.5
71.04995	26.3
73.02915	4.3
77.03924	4.7
78.77004	2.8
79.05494	35.8
81.03415	27.8
81.07062	51.0
83.04988	47.4
83.08612	10.3
83.61597	2.7
85.06538	7.6
91.05484	45.2
93.06479	3.6
93.07045	47.6
95.04990	16.6
95.08606	29.2
97.06538	13.3
97.10155	5.6
99.04482	4.7
99.08038	2.5
101.06005	4.2
105.03406	3.4
105.07035	30.2
107.04963	22.0
107.08575	17.8
109.06505	14.8
109.10156	13.1
111.04443	6.8
111.08077	6.3
113.06002	3.0
117.07032	15.3
119.08575	18.0
121.06499	10.0
121.10141	8.9
123.04440	6.3
123.08072	10.3
125.05994	9.7
125.09602	3.4
129.07001	11.3
131.04941	3.2
131.08597	17.0
133.06479	8.6
133.10107	19.5
135.08057	6.9
135.11700	14.5
137.05943	3.8
137.09633	5.1
141.07039	3.3
143.08553	6.0
145.06482	8.2
145.10173	14.6
147.04416	3.0
147.08031	8.3
147.11696	7.6
149.09630	5.7
149.13266	5.5
151.07573	6.9
151.11148	6.3
153.09128	3.5
155.08586	4.2
157.06465	3.0
157.10152	8.0
159.08084	10.9
159.11717	15.9
161.09630	6.0
161.13261	5.9
163.07526	8.4
163.11183	12.4
169.10162	4.4
171.11678	11.3
173.09677	5.8
173.13248	6.5
175.11183	5.2
177.09134	8.7
177.12767	13.9
179.10669	3.0
187.11203	4.4
187.14746	3.9
189.12735	8.9
191.14316	4.4
199.11243	3.4
205.15910	4.4
207.13861	6.0
215.14328	5.0
217.12225	8.0
219.13748	5.5
231.13776	4.3
233.15410	15.1
237.14867	3.9
243.17451	5.9
249.14960	3.9
253.15907	4.8
261.18478	15.2
263.16174	2.5
271.17020	17.1
271.19507	2.5
285.37589	2.8
289.17990	100.0
303.19678	17.2
304.19876	3.6
307.18777	3.3
321.20654	25.6
339.21927	9.3
339.27621	3.1
340.70947	2.6
345.67032	2.9
353.41696	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	339.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
55.47722	0.4
58.06598	1.0
61.02935	0.6
67.05484	0.5
69.03422	0.9
69.67841	2.0
69.68246	0.9
70.06582	0.9
71.05009	0.6
72.08131	0.8
73.02947	0.5
84.08144	6.7
85.02892	1.8
87.04446	0.4
91.05485	3.8
94.06580	2.0
97.02877	1.6
98.06033	0.6
98.21552	0.5
98.97575	0.9
100.07620	0.4
111.09200	0.8
112.07587	1.2
114.05556	0.8
115.03923	1.9
119.04951	7.5
122.06013	0.6
123.04458	0.5
126.09179	4.9
127.03879	0.4
128.07076	1.5
135.49298	0.5
136.07581	0.7
137.10738	6.0
138.05510	1.3
139.03926	1.1
140.07072	2.3
144.41768	0.4
145.02878	1.0
147.04416	23.0
149.05835	0.5
151.03874	1.0
151.07567	0.5
151.08640	0.7
151.12346	0.5
152.07079	0.5
154.08636	27.1
161.54504	0.4
163.03923	1.0
164.07118	0.6
165.10197	1.4
172.09734	1.1
177.05460	4.8
187.04001	0.8
191.03380	0.4
193.09651	0.8
197.12868	25.2
203.03391	4.6
205.04997	1.9
210.12291	0.6
210.62947	0.5
213.05637	0.5
215.03381	0.8
225.12361	0.5
233.04532	1.4
235.06203	0.5
237.02879	0.7
242.14954	0.9
247.06017	1.3
250.15517	22.6
251.05542	1.3
262.15448	1.1
275.05466	0.7
277.03461	0.6
282.18143	19.9
294.18161	1.2
295.04483	1.5
307.17651	21.2
321.06015	4.4
321.14215	0.6
339.07074	3.6
339.20282	100.0
340.20557	0.8
352.27219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1077
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
51.10006	0.4
53.03950	1.2
55.01871	0.9
55.05519	1.0
57.03434	1.3
58.02979	0.4
65.03939	2.3
67.05512	1.6
68.27195	0.4
68.99809	0.6
69.03430	7.5
69.07074	1.0
70.06605	0.6
71.05000	1.6
71.53530	0.5
73.02916	0.6
79.05494	1.6
81.03423	8.2
81.07058	1.9
83.04980	1.2
84.04523	0.5
85.02908	3.9
85.06562	0.9
87.00822	1.1
87.04482	0.4
90.75368	0.4
91.05486	100.0
93.07053	1.9
93.07555	0.4
93.80473	0.4
95.04981	1.3
95.08595	1.4
97.02355	0.4
97.02890	2.2
97.06545	0.4
99.04455	3.4
99.08123	0.7
100.07644	0.4
103.05476	0.5
103.38124	0.4
105.01847	0.5
105.07009	1.2
107.04948	1.0
107.08581	1.6
108.08125	0.9
109.02887	6.1
109.06551	0.7
109.10153	1.5
110.06023	0.4
111.04449	1.0
111.08054	0.8
115.03918	0.5
116.07106	0.5
117.07047	0.7
119.04947	12.8
119.08549	0.8
121.06584	0.5
121.10134	1.0
122.06019	0.6
123.11739	0.4
125.09599	0.6
127.03930	11.3
129.07008	0.6
131.08591	0.4
135.04449	0.4
137.02286	0.4
137.06006	1.2
137.09634	0.8
139.11171	0.6
144.06580	3.4
145.06432	0.6
145.10112	0.5
147.04419	54.1
149.04324	0.4
149.05717	0.4
149.09621	0.5
151.03923	0.8
151.11137	0.5
152.14357	0.5
159.08057	0.5
159.11668	0.7
163.03909	1.4
165.05533	0.7
171.08083	0.5
177.05466	1.4
177.09035	0.6
187.07455	0.5
191.03409	2.7
196.16995	0.6
199.07634	0.6
219.02937	6.4
221.15479	0.4
231.05089	0.8
254.63063	0.4
261.09003	0.5
264.86685	0.4
277.08615	0.5
279.10010	0.5
295.20264	0.9
307.09732	0.9
321.24225	0.5
339.08630	1.4
339.12030	2.2
339.15683	0.6
339.18774	0.5
339.22595	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	2.2
55.01872	6.3
55.05511	2.8
55.29961	2.1
56.96556	5.3
57.03412	2.7
58.06559	2.3
65.03946	2.2
67.05518	2.2
68.99786	3.0
69.03432	10.2
71.04992	2.0
71.53579	3.0
72.04561	1.7
72.08154	4.3
73.02907	4.9
81.03432	4.7
81.07087	2.9
83.04990	3.1
84.04486	1.9
84.08138	7.9
85.02905	14.7
87.00820	1.7
91.05476	7.1
94.06569	3.4
97.02914	16.5
98.78933	1.7
98.97577	5.0
99.04467	1.9
105.01894	3.2
105.03352	2.4
107.04948	2.4
109.02879	5.1
110.97591	4.4
111.00809	2.9
111.04440	5.2
115.03918	3.7
115.05444	3.1
119.04955	17.1
123.04428	7.7
125.02369	9.1
126.09147	5.0
127.03919	5.3
128.98627	2.2
135.04431	2.8
136.07602	3.1
137.10774	4.4
138.05507	8.3
139.03918	68.7
140.04247	2.0
140.07092	2.7
145.02859	2.5
145.04988	3.4
145.06483	2.4
146.99562	2.4
147.04437	51.2
149.05943	3.6
151.03929	7.3
152.07104	2.4
154.08650	19.7
161.05974	3.0
163.03941	16.0
164.07086	4.3
165.01849	2.8
167.03441	2.5
169.04898	1.9
169.08574	2.1
171.04495	1.9
175.03889	4.2
175.89671	2.1
177.05475	53.7
179.03432	3.8
181.04973	7.8
187.03894	8.6
189.05522	3.9
191.03409	5.2
192.05199	1.8
193.04929	4.4
197.12860	22.7
201.05605	3.5
203.03413	100.0
205.04977	30.0
213.05516	3.4
215.03464	9.2
217.04973	2.5
219.01759	5.3
221.04497	6.7
229.04993	5.1
230.00986	3.9
231.02975	10.0
233.04453	30.7
234.99208	2.1
237.02820	6.8
241.04938	2.8
241.67787	1.8
247.06036	24.5
249.04028	3.3
250.15593	18.6
251.05519	16.7
255.05206	6.9
275.05563	11.8
277.03394	6.7
277.07053	4.1
282.18201	16.9
295.04532	18.0
303.05054	5.4
303.13419	3.1
307.17664	19.5
321.02292	4.7
321.06067	91.9
321.14209	5.9
339.07101	55.4
339.11276	2.9
339.15738	11.1
339.20267	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	338.269
Annotation	Melophlin I
Peak:m/z	Relative Intensity
50.66117	0.7
52.38825	0.8
53.03939	1.2
55.05512	5.0
57.03420	1.8
57.07074	1.5
62.06095	85.5
65.42632	0.8
67.05177	1.0
67.05511	12.2
69.07082	5.5
70.92233	1.5
71.04972	1.9
71.08636	23.0
79.05501	9.2
81.03398	2.1
81.07058	13.4
83.04979	2.1
83.08618	3.2
85.06554	1.8
91.05472	8.0
91.47387	0.9
93.07049	13.1
93.48914	0.8
94.88285	0.8
95.04971	2.2
95.08606	8.0
97.06540	2.0
97.10165	1.4
98.06065	3.2
99.08099	13.8
105.07030	5.3
107.04943	1.7
107.08611	6.8
107.19885	1.1
109.06512	1.4
109.10148	4.3
113.06007	1.9
117.07040	1.1
119.08602	5.1
121.10140	4.2
123.08041	1.2
123.11737	1.3
131.08589	1.4
133.10132	4.2
135.11707	3.7
137.09628	1.1
142.12280	1.3
145.10132	2.2
147.11693	2.3
149.13278	1.7
151.11189	6.9
161.13322	3.8
163.11201	4.0
163.14847	1.1
165.12878	1.3
171.11682	1.0
175.14830	1.6
179.14328	9.0
180.14702	1.5
214.14381	1.5
222.18541	17.7
229.06734	0.9
240.19606	27.2
241.19609	1.5
259.20630	2.7
277.21695	6.9
320.25873	100.0
321.24414	3.5
338.26926	35.4
338.33890	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2689
Annotation	Melophlin I
Peak:m/z	Relative Intensity
52.05724	1.9
55.05502	8.6
57.07067	5.9
62.06093	100.0
63.23949	2.4
67.05503	17.0
69.07059	6.2
69.25447	23.6
70.06569	8.6
71.04979	3.4
71.08634	29.0
73.03498	2.1
76.58386	2.6
79.05502	11.1
81.03423	3.7
81.07074	17.8
83.08623	3.4
85.80708	2.5
88.07624	10.3
91.05469	9.1
93.07043	12.2
95.08612	8.9
97.06537	3.4
97.10169	2.4
99.08099	14.5
99.08673	2.4
102.09166	9.5
105.07023	4.5
105.40876	2.5
107.08588	6.4
109.06448	2.6
109.10152	5.0
117.06998	3.3
119.08577	6.4
121.10146	4.1
123.08066	2.5
133.10130	2.5
135.11699	4.9
144.51453	2.9
147.11725	3.6
151.11220	5.5
161.13243	3.9
163.11212	3.3
171.11661	3.0
171.96103	2.2
175.14845	5.2
179.14244	2.3
184.44368	2.3
191.04974	3.2
196.13350	17.2
203.72337	2.3
205.10744	2.3
214.14418	23.5
222.18507	13.9
236.73372	2.3
240.19611	22.0
256.26373	54.2
259.20615	5.4
277.21652	6.8
320.25842	99.8
338.23990	11.8
338.26889	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	338.2688
Annotation	Melophlin I
Peak:m/z	Relative Intensity
55.01879	5.0
55.05514	23.9
56.05839	5.9
57.03428	10.7
57.07071	5.4
67.05509	49.7
68.05836	10.4
69.07077	36.3
70.07407	6.7
70.25497	5.9
70.25860	4.8
71.08650	3.5
76.46074	2.4
79.05482	14.0
81.03431	4.9
81.07063	50.4
81.45071	2.6
82.07380	10.4
83.04958	4.3
83.08207	2.6
83.08611	15.5
83.69980	3.2
84.08943	4.1
85.06564	3.6
91.05479	11.1
92.05812	4.6
93.07042	15.3
94.07388	3.9
95.08607	29.6
96.08939	9.7
97.06523	12.3
97.10173	10.9
105.07039	15.5
107.04949	3.4
107.08624	10.8
109.10152	11.4
110.10481	5.6
111.11757	3.0
117.07007	3.2
119.08598	12.4
121.10143	7.2
123.11732	5.8
131.08585	4.4
133.10152	14.7
135.11707	6.5
145.10086	3.1
147.11691	5.7
148.12024	3.3
149.09608	2.6
149.13283	3.2
177.12747	3.4
179.14264	3.1
187.11299	4.1
257.18970	4.5
275.20096	38.2
307.22629	10.7
321.39212	2.8
338.27719	100.0
338.33841	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	338.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.4
55.01862	5.1
55.05271	4.4
55.05517	67.9
57.03415	4.9
57.82015	3.2
62.06082	7.5
66.61385	3.1
67.05516	26.2
69.03432	8.2
69.07068	15.9
71.04470	7.3
79.05496	27.7
81.07058	24.3
83.04968	8.0
83.08633	41.0
91.05489	29.6
93.07059	23.4
95.08611	6.5
97.10178	85.2
105.07046	13.1
107.04952	6.7
107.08598	38.8
109.10159	6.6
111.08109	5.9
117.07034	20.2
119.07823	5.0
119.08596	42.9
121.06490	10.4
125.09645	79.6
131.08556	5.8
133.06422	4.1
133.78935	3.5
135.08049	22.1
137.39626	3.7
143.08603	5.5
145.06496	26.9
145.10010	4.1
147.08047	12.3
153.09106	21.6
157.10083	3.5
157.12213	5.6
159.08049	12.5
161.09691	4.9
173.09677	10.2
189.11230	9.3
203.12801	100.0
239.09975	4.0
243.17415	5.6
253.15947	7.0
271.16953	67.2
289.18024	12.4
303.19556	65.6
338.27356	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	337.2736
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03935	1.5
53.21696	0.5
55.01857	1.2
55.05515	25.9
57.03440	14.0
57.07080	3.7
65.03941	2.2
67.05508	52.1
69.07069	30.9
70.11496	2.0
71.04985	1.2
71.08614	1.9
79.05492	13.8
81.07057	50.1
82.07383	0.5
83.04970	1.7
83.08620	15.9
83.81434	0.4
85.06535	1.8
85.10182	1.0
91.05488	7.8
93.06480	0.8
93.07048	13.4
94.28304	0.4
95.04973	0.7
95.08611	39.2
97.06522	2.4
97.10170	8.0
99.08094	1.7
99.69085	0.5
105.07024	6.0
107.08604	7.8
108.46902	0.4
109.06517	0.9
109.10158	17.4
111.08074	1.8
111.10578	0.4
111.11695	1.4
113.09618	0.5
119.08590	5.1
121.10152	7.2
123.08061	0.7
123.11722	6.9
125.09616	0.8
127.11185	0.5
131.08574	0.6
133.10126	6.0
135.11719	3.5
137.09602	0.9
137.13266	2.6
147.11687	3.2
149.13239	3.0
151.14780	1.0
161.13251	2.6
163.14835	2.3
165.12679	0.5
165.16389	0.5
174.46608	0.5
175.14838	1.9
179.14333	0.7
189.16388	1.2
245.22624	2.8
245.39270	0.5
247.15443	0.4
263.23746	3.6
280.22839	0.4
300.73334	0.5
337.27371	100.0
338.27768	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2738
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03951	1.9
54.00749	1.4
55.05517	24.9
55.52716	1.3
57.03439	14.9
57.07063	4.5
65.03949	2.0
67.05509	54.8
69.06728	2.2
69.07072	34.9
71.05004	2.2
71.08620	1.6
73.23974	1.4
79.05497	13.6
81.06591	2.7
81.07066	53.7
83.04979	2.0
83.08623	14.7
85.06551	2.0
85.10216	2.1
91.05473	8.6
93.07054	17.2
93.84112	1.5
95.04991	2.2
95.08615	40.6
97.06532	4.1
97.10188	7.4
105.07037	8.4
107.08556	6.9
109.06527	2.0
109.09535	1.9
109.10172	14.6
111.08007	1.6
111.11704	1.6
113.66222	1.2
119.08568	5.9
121.10144	5.8
122.84298	1.4
123.08038	1.6
123.11730	7.3
125.09646	1.6
133.10144	4.5
135.11688	6.2
146.40782	1.5
147.11713	5.2
149.13219	2.0
151.14899	1.7
175.14899	2.2
190.58617	1.6
245.22856	1.6
251.16484	2.6
263.23651	2.7
319.22714	11.1
337.27396	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0896
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
65.00307	1.8
70.70292	4.6
71.78879	1.9
93.88800	1.8
217.27144	1.9
219.38341	2.1
277.07654	3.6
295.08792	3.3
337.08893	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.6
56.05046	3.3
56.96568	20.4
57.03424	4.1
60.05622	2.5
69.03420	10.8
69.77591	6.2
69.78001	6.9
70.06582	8.7
70.98135	9.2
71.04990	4.8
73.02925	3.1
81.03415	7.5
82.99865	4.5
85.02924	21.0
86.02395	2.6
88.99188	3.6
97.02894	8.0
98.97581	32.2
99.04439	4.3
101.00888	26.6
102.00998	2.8
103.00642	4.0
109.02852	3.9
110.97577	8.2
112.99128	4.3
113.00879	7.3
115.00628	3.1
115.02473	3.2
116.98616	9.9
119.01929	30.2
124.95447	2.6
127.02428	16.0
127.03914	13.3
127.07548	2.2
128.98605	10.9
129.04004	3.3
131.00208	4.1
131.01926	9.5
133.01752	3.5
133.03482	13.7
139.02429	12.5
139.03920	2.8
142.01123	2.4
143.01907	16.9
145.01691	6.3
145.03476	41.2
145.05022	3.6
146.99652	8.9
153.03955	3.6
155.01891	9.9
156.02733	3.8
156.98135	7.4
157.03496	32.2
158.99641	3.0
159.01393	3.7
159.05055	4.7
161.02948	19.8
163.02750	2.7
163.04535	4.3
165.00743	3.4
166.04840	3.9
167.01898	5.5
169.03502	3.6
170.96045	7.9
171.01373	4.0
171.05020	9.7
173.02979	20.4
174.99185	19.4
175.04431	17.5
183.05032	4.5
184.02405	3.1
184.97542	3.0
185.03050	17.8
187.02820	5.7
187.04565	10.5
188.97072	5.7
189.00752	7.2
189.06044	3.0
191.02347	3.9
191.03973	18.6
193.00209	8.0
199.04532	6.8
201.04359	2.8
201.06104	5.2
202.98622	5.0
203.04060	14.8
205.00237	3.5
207.01733	3.7
211.04576	3.8
215.04147	2.6
217.00223	16.2
217.02037	15.0
217.05624	29.1
219.01711	3.1
220.99646	2.9
221.05069	5.5
229.02048	3.4
229.05615	7.6
230.98203	7.6
235.01051	4.2
235.06747	7.7
237.02855	3.8
244.99617	7.1
245.05063	4.9
247.06969	11.5
251.04347	2.8
255.07536	8.8
257.05011	5.4
259.06625	6.8
263.00757	10.2
269.05402	3.8
277.02393	7.1
277.07706	90.6
295.03592	5.5
295.08777	100.0
305.01874	3.6
318.10193	3.0
337.08655	54.2
337.17322	12.5
349.09717	2.6
355.09079	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	337.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43592	1.1
55.01888	1.8
56.05049	1.2
56.96568	16.8
57.03439	3.5
61.02932	5.8
69.03439	3.7
69.40190	1.1
69.85164	1.1
70.06605	3.5
70.65587	1.9
70.98128	8.2
73.02924	1.9
81.03429	2.0
82.95381	1.3
83.04979	1.8
84.04521	1.8
84.08153	3.0
84.96039	3.6
85.02908	9.8
86.02405	2.5
86.06087	2.1
86.79691	1.1
87.04501	1.0
88.99188	2.3
90.05608	1.0
97.02916	4.0
98.97591	30.8
98.98656	1.5
101.00896	2.7
110.97569	12.4
111.51832	1.8
112.99134	11.5
115.02430	1.3
116.07155	1.4
116.98643	8.9
119.01905	3.3
123.26203	1.0
124.95493	4.0
124.99217	1.4
127.02451	1.2
127.03922	2.0
127.25809	1.0
128.98596	11.3
130.08617	2.7
131.00201	9.2
131.01891	1.1
131.09221	1.0
133.03473	1.7
134.99719	1.3
140.98572	1.2
142.96552	1.4
143.01933	3.0
144.98148	1.3
145.01775	1.8
145.03476	3.2
146.99663	6.3
147.03227	1.7
149.01225	2.6
152.94919	1.3
155.08092	1.1
156.08533	1.9
156.98137	2.3
157.03488	3.7
158.99667	4.1
161.02972	1.6
165.00763	3.0
167.01988	1.4
170.96042	5.2
170.99709	2.4
173.01349	2.0
173.03011	3.0
174.11293	1.1
174.99199	2.4
175.02829	1.4
175.07278	1.3
175.11661	2.4
177.00792	2.1
184.97601	1.8
187.04483	1.4
188.97108	6.7
189.00758	5.8
191.02330	1.9
191.03970	2.2
193.03845	2.2
201.00761	2.6
202.98706	3.8
205.00162	3.5
206.98099	2.0
207.01839	2.9
211.04887	1.4
212.97052	2.2
217.00278	3.0
217.05719	2.5
218.03435	3.1
219.01781	10.3
219.65352	1.1
220.99654	1.2
221.05165	1.5
227.04060	2.4
230.98126	5.6
234.06490	1.5
235.01244	1.4
237.02809	7.6
244.99754	7.4
247.07124	1.5
249.02693	1.4
263.00757	12.0
277.02206	4.9
277.05576	2.9
277.08170	2.5
281.01788	1.7
295.03683	2.6
295.07144	7.4
305.01755	3.0
337.08881	100.0
337.17078	4.0
355.09341	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	337.0807
Annotation	[1S-(1alpha,2beta,5alpha)]-4-Bromo-5-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-2-methylphenol acetate
Peak:m/z	Relative Intensity
51.44529	0.5
56.96566	35.2
58.06249	0.5
61.02921	1.0
63.63702	0.5
68.57944	0.5
68.96562	0.6
69.03424	2.5
69.79241	1.3
69.79642	2.0
70.98125	15.5
71.95260	2.7
72.96063	0.8
73.02946	0.7
74.97620	0.8
79.62962	0.6
81.03423	0.8
84.96033	8.3
85.02905	3.4
86.97591	0.7
88.99159	6.2
97.02892	2.5
98.97588	100.0
100.99145	2.0
101.00831	0.5
102.97105	0.6
105.51579	0.7
108.88728	0.6
110.97573	32.9
112.99136	20.1
115.00676	4.4
116.98626	20.7
116.99464	1.3
124.95480	7.9
124.99106	3.7
125.14143	0.6
126.97046	2.1
127.00668	1.5
127.29964	0.5
128.98611	26.2
131.00175	15.5
133.01746	6.4
134.99681	2.5
140.98607	6.4
142.96547	3.7
143.00146	6.6
144.98080	2.9
145.01692	1.0
145.04913	0.6
146.99654	15.4
149.01215	6.1
151.02773	1.6
152.94955	4.1
152.98593	7.5
155.41801	0.5
156.98094	2.6
157.01758	1.5
158.99661	19.9
160.97614	0.6
161.01227	3.9
162.99158	0.9
163.02766	1.0
165.00706	3.1
170.96019	11.5
170.99673	10.1
172.97644	0.8
173.01263	2.3
174.99168	3.7
175.02786	8.1
177.00734	8.5
177.04375	1.0
178.04979	1.2
179.02260	0.9
184.97610	5.4
185.38382	0.6
186.99167	1.6
187.02702	1.4
188.97095	11.1
189.00714	12.5
189.04340	0.7
190.98662	0.8
191.02283	1.9
193.00259	1.3
193.03821	3.6
195.01671	0.7
201.00699	10.6
202.98643	6.9
203.02280	2.4
205.00252	4.6
205.03738	0.9
206.98106	2.4
207.01724	5.8
209.01114	0.8
211.02904	1.4
212.97066	5.5
214.98714	1.1
217.00255	4.7
217.03786	4.9
219.01772	51.6
220.99713	3.5
223.01337	1.7
226.98505	0.7
229.03844	1.2
230.98137	15.0
235.01357	3.0
235.04834	1.7
237.02821	29.5
242.03366	0.8
244.99718	15.2
247.01237	1.4
248.99150	2.9
249.02840	2.9
251.04482	0.8
255.03813	1.0
256.07227	0.9
256.57205	0.6
263.00766	21.8
265.02298	0.6
267.03848	1.2
275.04285	1.3
277.02377	9.9
277.05951	34.1
280.76205	0.7
281.01810	2.2
281.05188	0.8
293.05389	1.2
295.06992	79.2
296.07480	0.9
302.25784	0.7
305.01819	2.9
305.82565	0.7
319.06790	1.0
337.04767	2.0
337.08069	50.8
355.09119	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	336.2534
Annotation	Neovasipyridone C
Peak:m/z	Relative Intensity
50.24164	0.9
53.03934	1.2
55.01877	10.6
55.05512	9.0
57.03438	1.0
60.04528	1.5
62.06095	100.0
67.05175	1.6
67.05508	17.1
67.63080	0.9
69.06438	1.0
69.07079	14.7
70.02946	1.0
70.06574	1.1
71.04974	1.1
71.53603	1.4
79.05499	18.5
81.03419	1.7
81.07059	17.5
83.04970	3.6
83.08615	3.7
85.05255	1.1
85.06538	1.3
85.35023	1.0
88.58923	1.0
88.61488	0.9
91.05483	15.4
93.07057	14.3
94.96113	0.9
95.04964	3.6
95.08619	8.5
97.06538	14.0
97.10191	1.9
98.06069	7.4
99.04416	1.7
101.98085	1.0
105.04526	1.0
105.07036	15.7
107.04983	6.3
107.05595	1.2
107.08607	15.5
109.06547	2.6
109.10157	4.6
111.08077	1.7
112.07632	1.4
115.05382	1.0
117.07021	7.1
119.07933	0.9
119.08607	9.7
121.06499	2.8
121.10175	5.6
123.04439	1.4
123.08035	1.9
123.29448	1.0
124.11202	3.0
125.09647	1.0
129.07018	2.1
131.08569	6.5
133.10161	6.8
134.09706	1.2
135.08032	1.6
135.11662	3.3
137.09599	1.7
141.06998	1.5
143.08601	1.8
145.10158	6.4
147.04550	1.1
147.11691	5.4
149.09622	5.1
149.13235	1.1
151.11243	1.3
157.10109	1.9
159.11711	6.6
161.13283	2.1
163.11150	2.7
169.10188	1.0
171.11705	2.0
173.13219	3.8
175.11148	1.4
175.14885	1.5
177.12704	1.5
183.11728	1.4
183.39453	1.1
191.14296	1.6
196.13347	16.4
198.14926	1.0
205.04036	1.0
214.14409	22.2
215.18111	2.0
222.15001	1.1
222.18550	9.5
224.16499	1.6
229.19391	2.5
236.16522	1.8
238.18021	4.2
239.17952	2.4
240.19563	3.4
242.17479	1.3
254.17497	1.9
257.19031	7.0
275.17288	1.3
275.20099	12.1
276.23325	1.2
298.60510	1.0
301.85336	0.9
318.24301	82.0
319.22653	2.7
336.25385	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	336.2534
Annotation	Neovasipyridone C
Peak:m/z	Relative Intensity
53.03943	2.8
54.37745	2.1
55.01875	9.5
55.05507	10.1
62.06094	100.0
62.06417	5.0
66.37283	2.2
67.05508	20.2
69.03447	2.2
69.07078	14.1
69.77794	1.9
70.02933	2.2
71.53470	2.0
72.04528	2.1
75.59215	1.9
79.05497	21.6
81.07068	28.6
81.07532	3.5
83.04980	4.8
83.08617	3.2
91.05485	20.7
93.07046	16.1
95.04977	6.4
95.08619	10.7
95.45243	2.0
97.06565	10.7
98.06059	11.0
105.07043	13.7
107.04943	3.9
107.08589	10.9
109.06545	4.1
109.10152	5.5
109.55215	2.1
111.08056	2.3
117.07024	5.8
119.08592	15.0
121.06450	2.3
121.10138	6.8
123.08079	5.3
123.66658	2.4
129.06987	3.3
131.08615	11.8
133.10098	11.2
135.08092	3.1
135.11664	3.8
137.09682	2.4
145.10144	8.9
147.11694	6.3
149.09608	2.9
159.11734	7.2
163.11127	3.9
169.10120	2.2
171.11821	3.0
173.13240	7.9
196.13390	2.1
197.13316	3.2
208.17033	3.8
212.06543	2.4
214.14429	2.5
215.17996	4.4
222.18521	6.0
228.96605	2.4
236.16362	3.7
238.18036	41.8
239.18073	3.4
240.19563	2.7
254.17491	4.4
257.19025	8.6
275.19998	12.5
278.21201	4.0
300.23343	3.3
318.24286	92.0
333.71051	2.3
336.21838	1.6
336.25439	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	336.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.2
57.03441	12.3
61.65585	2.5
67.05176	4.6
67.05506	58.1
69.03407	7.3
69.07059	8.2
70.42548	4.0
70.42883	4.5
71.04987	17.7
72.08139	5.3
72.70831	2.7
73.33169	2.3
79.05499	18.9
81.07060	92.4
83.04968	3.8
83.08600	8.9
85.02885	4.1
85.06544	13.9
91.05482	21.6
93.07046	23.9
95.08598	14.6
97.06518	6.7
99.04568	3.0
105.07027	10.7
107.08574	10.8
109.10136	8.5
111.08076	4.8
117.07019	4.5
121.10146	3.2
123.11733	16.0
127.03922	6.1
128.04289	3.6
131.08539	8.0
133.10120	18.5
135.11688	4.7
137.05983	3.7
149.13257	9.2
151.11148	8.1
159.11690	28.1
161.13228	3.4
169.12206	3.2
177.12746	44.7
179.14320	10.8
187.13275	9.5
195.13844	8.0
243.13426	4.5
243.15948	85.1
251.16464	13.0
269.17493	100.0
301.20065	17.0
336.21838	3.4
336.25412	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	336.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.9
55.05514	24.7
57.03423	7.2
57.07076	3.4
57.56606	1.6
58.99583	8.1
67.05510	28.4
67.53912	1.6
69.03426	4.3
69.07066	26.2
69.43019	13.5
71.05000	16.5
75.82893	1.8
76.02220	9.7
76.76643	2.2
79.05503	18.7
81.07062	81.5
83.04984	5.7
83.08620	23.8
85.06551	24.5
86.99039	4.9
91.05488	22.2
93.07048	27.8
95.04942	3.0
95.08611	99.9
96.08922	2.3
97.06536	26.9
97.10184	9.1
99.08099	14.4
100.13712	1.6
101.06057	2.5
105.00089	6.9
105.07034	27.7
107.04913	1.6
107.08601	14.5
109.06522	2.4
109.10153	8.6
111.08094	6.2
113.09647	4.9
115.07574	5.3
119.08591	44.3
121.10159	17.3
122.02747	12.6
123.08072	10.3
123.11731	1.8
125.09638	2.1
127.07624	2.5
131.08563	2.3
133.10144	34.4
135.11693	20.9
137.09567	4.5
137.13275	17.6
149.13248	2.9
161.13266	100.0
167.14285	2.2
179.14320	95.4
185.15364	3.1
197.15381	88.3
215.16425	19.3
229.12593	9.1
255.13959	1.9
273.15271	9.2
274.17960	1.9
300.16180	4.9
301.14545	2.7
318.17145	10.4
318.20709	3.9
319.15732	41.8
336.18359	53.1
336.22034	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
52.26571	0.8
53.03940	3.7
53.11508	0.8
55.01876	1.7
55.05273	1.3
55.05517	15.1
57.03439	17.1
57.07079	2.1
65.03937	2.3
67.05511	60.8
69.07072	14.1
71.17616	1.8
79.05501	29.8
81.07063	53.7
83.04970	0.9
83.08617	5.9
90.71742	0.9
90.95168	0.8
91.04972	1.3
91.05486	16.2
93.07053	34.1
93.07641	1.8
95.04956	3.1
95.08614	43.7
97.06516	2.2
97.10181	2.4
99.08103	1.4
101.05712	0.9
105.04479	1.0
105.07043	9.0
107.08601	17.1
109.06538	1.4
109.10158	15.5
112.99093	0.9
117.06995	3.3
119.08592	6.9
121.09301	1.4
121.10149	13.7
123.08035	1.1
123.11726	7.3
129.05473	1.6
131.08571	5.3
133.10144	5.6
135.11705	8.7
137.13278	2.6
145.10178	4.6
147.11705	2.8
149.13278	3.3
150.57315	1.0
150.72525	0.9
159.11720	3.2
161.13297	2.4
163.14793	1.3
173.13272	2.7
177.16426	1.3
184.13795	0.8
187.14793	1.4
215.59308	0.8
243.21083	4.3
261.22144	3.8
317.24606	1.6
331.51413	0.9
335.25821	100.0
336.26007	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.02384	0.6
53.03950	3.4
55.01870	1.5
55.05269	1.3
55.05516	16.9
57.03444	19.4
57.07075	2.3
62.06341	0.6
62.34607	0.7
65.03946	3.3
67.05510	72.5
69.03433	0.8
69.07072	17.5
71.04976	1.8
72.73637	0.6
79.05498	35.8
81.03436	1.0
81.07063	61.5
83.04979	2.3
83.08615	6.6
85.06544	1.6
91.05489	17.2
91.53249	0.6
93.07052	38.0
95.04991	3.5
95.08614	49.3
97.06527	2.9
97.10172	1.9
98.21519	1.4
99.08116	0.8
103.05443	0.9
105.04524	1.4
105.07035	11.2
107.08598	16.7
109.06524	1.5
109.10170	18.2
111.08079	1.8
111.11753	0.9
117.07013	2.7
119.08590	7.7
121.10153	14.8
123.08069	1.3
123.11726	5.5
125.09653	0.7
128.81168	0.6
131.08554	5.3
133.10147	6.7
135.11714	8.9
137.09613	1.0
137.13272	1.2
144.50339	0.8
145.10120	3.9
147.11726	3.5
149.13284	4.8
151.11169	0.7
159.11708	2.8
161.13205	3.2
163.14844	1.8
173.13261	2.3
175.14886	1.1
177.12849	0.7
177.16473	0.9
187.14856	1.2
189.64674	0.6
243.21211	1.9
261.22067	3.6
317.24652	1.0
335.25821	100.0
336.25809	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03953	18.8
55.01677	1.8
55.01873	19.0
55.05511	24.7
57.03439	12.5
57.07077	3.3
65.03931	2.2
67.05506	69.7
69.07069	39.1
70.11025	9.1
71.04986	2.7
72.04490	3.0
74.88278	2.1
79.05073	3.0
79.05500	47.9
81.02989	2.9
81.03425	28.3
81.07059	100.0
83.04964	7.5
83.08601	11.8
83.22492	2.2
91.05486	42.8
92.82255	2.0
93.07047	46.6
94.55766	2.3
95.04989	12.3
95.08611	75.2
97.05927	3.4
97.06532	41.0
97.10168	5.8
98.21442	3.6
105.04525	2.4
105.07036	69.8
107.04945	7.6
107.08607	33.0
109.06527	5.4
109.10163	35.1
117.07002	8.8
119.08583	30.7
121.06487	4.0
121.10157	22.2
123.08044	4.8
123.11691	9.7
125.09655	7.2
131.08586	20.4
133.09245	3.4
133.10152	38.9
135.11665	9.3
137.09621	4.6
137.13217	2.6
143.08655	2.3
145.10144	19.5
147.11707	19.6
149.09634	5.5
149.13222	3.1
151.11198	7.0
159.11674	9.6
161.13246	9.5
163.11238	3.6
163.14815	4.8
165.12856	3.6
173.13242	5.5
175.14796	2.5
180.50073	2.1
187.14844	8.6
205.15910	6.8
207.17480	29.4
215.14331	2.6
217.63364	2.2
237.18423	4.2
257.22873	2.9
261.22064	4.6
275.23712	9.2
285.22107	9.9
303.23184	87.2
335.25812	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22419	0.4
52.60820	0.4
55.05506	1.0
67.05501	1.9
69.07063	0.9
69.39726	1.7
69.40149	1.8
72.04511	0.7
79.05492	1.3
81.07053	2.2
81.96384	0.4
91.05498	0.9
91.29269	0.6
93.07043	1.7
94.54706	0.5
95.08602	1.8
105.07067	0.6
107.08591	0.6
109.06477	0.6
109.10143	0.6
110.76767	0.4
119.08587	1.0
121.10144	0.7
130.82677	0.5
133.10126	0.5
135.11742	0.7
223.38354	0.5
285.25705	0.5
335.21939	100.0
336.22083	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.8
55.01865	5.2
55.05514	3.8
56.05038	4.0
56.96561	3.6
57.03426	6.4
65.03923	3.0
66.27689	2.4
67.05495	4.6
68.99773	3.6
69.03089	4.8
69.03434	68.3
69.06730	3.7
69.07072	46.4
69.67020	13.2
70.06570	6.4
71.04979	10.4
73.02884	3.6
79.05489	3.2
81.03427	48.0
83.04969	3.0
84.08154	4.0
85.02431	4.0
85.02906	44.0
86.09713	4.1
87.00819	16.8
87.08124	16.9
91.05480	4.0
93.07027	4.0
95.04951	5.2
95.08600	3.8
97.02908	29.1
97.06521	4.5
98.97581	3.0
99.04469	17.7
101.02382	3.3
105.01852	4.7
105.36797	3.1
107.04903	2.8
109.02892	40.7
109.10165	3.2
111.04438	8.1
115.07589	13.5
118.06506	2.7
119.04981	3.7
121.02933	3.4
123.05588	2.9
124.07578	11.0
125.02323	4.9
127.03928	82.6
130.06517	4.2
130.36266	2.7
132.08090	6.5
137.05942	4.0
138.09148	4.1
139.03848	2.6
144.08087	10.5
145.04976	3.7
146.06012	8.8
147.04387	9.3
149.02333	2.7
153.00731	3.8
153.01842	42.7
153.05510	2.9
155.08156	4.9
155.10695	7.1
162.29108	2.4
163.03824	3.3
166.04994	4.9
169.07591	3.8
170.06010	5.8
172.07555	5.3
174.11253	2.9
181.07593	5.2
183.18916	2.9
188.07074	11.4
194.04572	3.0
195.02980	3.8
198.07809	3.1
199.08699	7.0
202.61115	2.9
213.03989	4.2
213.10165	5.4
215.03406	14.7
215.08333	3.1
225.10146	6.6
226.07312	2.7
227.11780	4.0
231.05019	32.0
234.98993	4.0
237.02661	3.1
241.09790	6.5
243.02876	6.6
243.11317	5.1
245.09158	12.8
255.11156	5.0
257.09201	7.3
269.09134	4.0
271.02429	27.2
271.07465	3.6
271.10703	14.5
272.09091	3.4
273.12491	4.0
287.10287	100.0
287.13519	5.0
289.07065	4.0
289.11871	7.0
299.10339	21.2
317.03165	19.5
317.11331	90.1
335.12296	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	335.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01875	7.1
55.05499	2.2
56.05017	2.3
57.03434	1.5
57.07079	8.9
62.23561	0.8
67.05505	4.5
68.99799	1.0
69.03419	3.5
69.07065	2.6
70.06593	4.0
70.90476	1.7
71.04990	2.8
73.02913	2.2
79.05479	2.8
81.03409	1.7
81.07057	5.0
83.04976	1.3
83.08614	1.0
84.04512	1.6
84.08137	1.0
85.02918	6.2
85.06540	2.7
86.09717	2.1
91.05476	3.3
93.07047	3.9
95.04990	2.4
95.08615	9.1
97.02922	2.0
97.06505	1.6
99.04425	1.4
101.02405	1.0
103.07581	0.9
105.07064	1.2
107.08603	2.2
108.04486	1.6
109.06496	1.1
109.10181	5.1
109.61314	0.8
111.04491	1.0
111.08094	1.4
113.02358	2.1
113.05957	0.9
116.07108	2.3
118.06570	0.9
119.08597	3.6
120.08107	2.3
121.06492	1.2
122.06033	1.9
123.04420	1.3
124.07572	2.7
125.06023	0.9
125.09612	0.9
126.09192	1.0
127.03988	1.0
129.09129	1.3
130.05026	0.9
131.08606	0.9
133.46552	0.7
133.72159	0.8
135.08057	1.0
136.07626	1.5
137.06001	1.3
137.09631	7.7
138.05487	2.0
139.03906	10.9
140.07079	2.1
141.01813	1.6
145.06477	0.8
145.10133	1.1
145.92719	0.8
146.09554	1.0
147.04480	1.4
149.09599	0.9
150.05524	1.7
152.03433	1.2
153.01834	7.8
155.08180	4.8
155.10695	10.2
156.30310	0.8
159.10249	4.4
160.11253	0.8
161.09604	0.8
162.09200	1.0
165.05377	0.8
166.04977	1.9
167.07060	17.5
168.06593	1.1
169.07632	0.9
170.09679	0.8
173.09369	0.9
173.11754	2.8
173.15338	0.9
176.03490	0.8
177.05481	2.2
182.08270	1.1
186.07899	1.0
187.08687	1.4
192.02881	1.5
198.09285	1.6
199.08675	1.6
199.10448	0.9
200.09212	0.9
200.10855	1.3
201.06490	1.0
201.10109	5.2
210.07774	1.5
212.07089	1.2
213.10315	1.5
214.07199	1.1
215.03441	1.9
215.08051	1.4
215.11813	0.9
219.11360	1.0
225.10199	2.7
226.08815	1.4
227.08151	2.9
227.11772	1.5
228.10150	3.4
229.09766	6.0
241.09828	1.3
243.07654	1.5
243.11313	6.2
244.09489	1.0
245.09196	3.6
246.10982	1.0
247.10721	0.8
253.09782	2.2
254.08165	1.5
255.11331	2.2
257.09235	15.0
258.09988	1.8
261.12338	1.3
269.09357	1.1
270.09988	1.0
271.02469	3.9
271.10782	14.8
273.12408	1.3
273.15268	1.0
281.09131	1.6
287.10266	20.5
289.11871	10.1
299.10318	17.6
307.12903	1.3
317.03156	3.0
317.11337	100.0
326.74152	0.8
335.12250	22.5
335.22552	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.4
65.03924	3.7
67.05508	5.2
69.03387	1.1
69.07072	100.0
69.18979	2.0
69.19381	8.7
76.01572	1.0
79.05470	1.7
80.05010	1.6
81.03413	3.2
81.07056	5.9
91.05491	2.2
92.04990	3.1
94.06566	4.9
95.04948	2.2
95.08591	1.6
97.06542	17.6
107.08541	1.5
109.06512	1.1
119.03658	1.1
121.05228	1.6
122.06020	8.4
124.07578	3.2
125.05956	1.3
131.07298	1.0
131.08582	1.0
132.08064	1.6
137.05965	3.6
138.05550	5.9
140.07072	7.9
144.08096	1.7
145.08827	3.2
145.10054	1.4
146.09607	2.9
147.06821	1.2
148.03914	2.7
150.05516	91.2
152.03441	1.2
157.08908	3.2
158.03218	1.1
159.10426	1.2
161.08366	4.0
162.09155	2.4
164.03552	1.6
165.04234	1.8
166.05003	31.8
168.06548	1.1
170.95634	1.1
172.07576	2.4
172.11203	3.4
173.08339	2.2
173.09662	1.5
174.09126	1.5
174.12787	7.3
176.03404	6.9
176.14421	2.0
178.05006	3.0
182.04559	1.3
182.09636	1.0
185.08377	1.7
186.07684	2.1
188.10645	2.2
190.12230	5.1
192.02884	1.3
194.04547	2.3
194.12480	1.5
200.06972	1.4
200.10736	9.0
202.12323	7.9
216.10214	5.8
218.08174	1.6
218.11754	28.1
218.13858	1.6
226.08760	1.2
228.10219	19.3
229.13380	2.3
234.11250	3.6
244.09753	1.8
245.12880	1.7
245.26451	1.0
246.11284	28.1
255.11357	1.5
256.09753	1.5
261.09039	1.4
271.10818	5.1
272.09235	5.0
273.12292	3.9
274.10730	4.3
287.10324	8.4
289.11819	12.6
290.10254	2.4
299.10275	8.4
313.12213	1.9
317.11365	32.8
318.09671	1.5
335.12344	40.4
335.18710	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	335.119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54057	0.8
51.88023	0.8
53.03910	1.0
55.05484	1.8
56.05036	10.3
56.76838	1.1
56.96555	5.7
59.64754	0.9
61.02890	1.4
69.03385	4.1
70.06557	1.0
70.18465	4.3
70.98109	0.9
73.06538	1.2
80.59579	0.8
81.03390	1.8
82.99815	3.1
84.08108	0.9
85.01373	0.9
85.02908	6.9
86.03238	1.4
86.06026	1.2
94.99808	1.0
97.01370	0.8
97.02900	5.2
98.97578	14.8
98.98260	1.7
98.98454	1.9
101.00886	18.7
103.02406	1.3
109.02840	1.4
109.07589	1.1
110.97552	2.0
113.00882	13.1
115.02460	5.2
116.98526	2.9
119.01931	17.6
123.05494	3.4
125.00806	1.3
127.02345	3.0
127.03834	1.4
128.98538	1.4
129.02202	0.8
129.03882	4.1
130.06436	2.8
130.08530	1.1
131.01907	18.7
131.05571	11.2
133.03514	5.0
137.00853	4.2
137.05936	4.3
138.01532	1.4
139.03795	1.2
143.01903	51.5
145.03448	6.4
147.01344	1.2
147.04210	1.2
147.05003	1.3
149.06628	7.9
155.01895	27.5
155.04504	3.5
155.05553	2.3
155.08159	17.3
155.54709	2.2
156.02576	2.8
157.03362	3.0
157.07553	1.3
158.99579	3.9
159.05022	4.5
161.02960	37.7
167.05467	2.8
169.06966	2.1
171.04907	3.9
172.97481	1.0
173.01628	1.1
173.03014	12.4
173.06592	33.5
173.08897	4.3
173.12808	1.0
175.04372	1.5
177.00597	1.5
177.06065	5.1
179.05432	1.5
179.06992	1.0
184.04474	1.5
185.02811	2.5
185.06602	46.3
187.02475	1.0
187.08151	7.6
191.05968	1.2
191.07614	10.4
197.06532	2.6
199.08098	2.1
201.00565	1.9
201.06012	2.0
203.03983	9.8
203.05623	1.6
203.07640	17.9
205.09175	1.1
209.06584	2.4
215.04037	1.0
215.07660	15.1
217.09088	2.0
219.01550	2.7
221.05074	21.0
227.07680	4.5
227.56781	3.1
232.99422	1.2
233.08496	3.9
237.02637	1.9
243.07387	1.7
244.07635	1.3
244.57849	3.3
245.04755	1.8
255.92581	1.0
257.08636	5.6
275.09756	50.5
280.57013	1.0
291.07349	1.3
293.10806	100.0
294.05695	1.6
294.11105	1.4
309.08179	2.8
310.60071	2.0
312.06509	3.4
316.12091	2.0
317.12677	1.1
325.60269	2.0
326.10239	1.3
335.11548	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	334.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.5
55.05503	5.1
57.03421	2.8
57.07059	5.7
67.05511	16.2
69.07075	7.5
70.04681	3.0
70.05076	3.3
71.08636	10.1
72.04523	66.5
79.05490	10.5
81.07060	18.0
83.04958	1.7
85.06522	3.6
88.07642	1.9
91.05475	6.0
93.07053	15.9
95.04980	15.0
95.08617	21.6
96.25710	1.4
97.06519	5.9
98.20805	1.8
98.98496	1.4
99.08098	5.3
99.89970	1.5
100.07639	2.0
105.07027	8.5
107.08598	12.4
109.06537	23.9
109.10146	6.0
114.09184	13.4
117.06985	2.6
119.08616	7.5
121.06509	2.5
121.10143	5.7
128.10722	6.4
131.08554	6.2
133.10135	8.0
135.08063	2.8
140.10638	1.6
142.12251	4.6
145.10161	2.3
147.11682	3.0
149.13298	4.2
154.12239	1.8
156.13837	3.7
157.10153	2.0
159.11647	3.3
163.11214	1.6
163.14810	2.2
165.12764	100.0
173.13257	4.6
175.11215	6.0
179.14352	1.5
180.13782	2.8
182.15414	14.5
184.13312	2.7
184.17067	2.1
187.14842	1.5
191.14357	9.1
194.15346	2.2
201.12819	4.7
205.15985	1.8
206.27283	1.5
212.16431	8.9
220.16933	14.3
229.19603	3.2
236.20119	42.5
238.38834	1.7
253.19562	2.6
267.09015	1.9
271.20633	8.4
289.21545	10.1
311.06787	2.3
316.26413	7.2
334.27411	75.5
335.25842	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	334.2376
Annotation	CARBETAPENTANE
Peak:m/z	Relative Intensity
55.05513	0.5
60.40860	0.3
67.05489	0.4
70.06569	0.4
72.08170	0.4
81.07063	0.6
91.05470	1.0
95.08654	0.6
98.98460	0.7
105.07050	0.6
105.78219	0.4
106.06564	1.2
109.10143	0.5
118.06548	3.3
131.07324	1.1
132.08115	2.1
134.09657	0.4
137.05969	0.6
138.06290	0.4
146.09631	2.8
160.11182	2.0
162.09152	5.9
167.07048	0.6
168.07375	1.0
172.11154	0.5
176.10728	3.8
177.11440	0.4
190.12267	9.3
204.13878	1.3
218.15495	0.5
220.13388	1.0
220.76007	0.4
236.16333	0.7
244.20657	1.8
269.05536	0.5
272.20102	10.6
290.21124	1.5
311.06375	0.6
316.22800	0.8
334.23770	100.0
335.24112	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49777	0.3
64.88665	0.3
67.05495	0.5
71.53887	0.3
71.54267	0.4
77.31374	0.3
79.05486	0.4
81.07047	0.4
81.09982	0.3
91.05483	0.8
91.48438	0.3
93.07024	0.3
105.07041	0.4
106.06563	1.3
117.05772	0.5
118.06552	2.4
120.08067	0.3
121.06525	0.3
130.06564	0.4
131.07321	0.9
132.08109	1.7
134.09698	0.5
144.08092	0.4
146.09671	2.5
151.09991	0.5
160.11220	1.7
162.09152	5.6
167.07091	0.4
168.07419	0.3
172.11186	0.6
174.12758	0.5
176.10719	3.8
177.11479	0.7
185.39279	0.3
189.78207	0.3
190.12271	8.8
190.13992	0.4
204.13853	1.1
220.13400	0.4
232.16817	0.4
236.16272	0.3
244.20569	2.0
246.18414	0.4
260.12854	0.8
272.20093	9.7
290.17685	0.4
290.21155	1.4
316.22791	0.7
334.23773	100.0
335.23822	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58400	0.4
55.01870	0.5
55.05512	1.2
56.05043	2.3
60.04522	0.4
60.70577	0.4
61.72939	0.4
67.05510	5.6
69.03429	3.4
69.07079	3.2
69.54922	2.4
70.06596	5.3
79.05491	1.5
81.07065	9.7
83.08630	0.8
84.04501	0.6
84.08125	0.5
85.06550	0.6
86.06075	15.6
86.06605	0.8
86.09711	3.4
87.04472	15.6
91.05476	4.4
93.07038	1.5
94.06571	0.5
95.08604	1.1
96.08139	1.8
97.06543	0.8
98.06063	28.1
100.28754	0.4
104.07128	0.5
105.07040	2.4
107.08595	2.0
109.10157	1.4
112.07601	1.5
121.10205	0.6
123.11703	2.1
124.07599	10.6
130.06517	1.5
133.10149	7.2
137.06029	0.6
138.06380	0.5
150.05519	1.4
150.12698	0.5
151.09976	0.7
151.11189	12.6
157.07639	1.0
158.06053	2.3
158.11748	1.1
166.04941	0.4
167.07043	0.7
168.13869	8.3
175.08662	2.9
186.14964	2.5
203.08220	1.2
208.17030	0.4
213.67841	0.5
218.15584	0.5
221.09221	5.5
236.16478	19.5
271.10721	0.6
272.18579	100.0
273.18863	1.1
287.10287	3.0
316.21201	28.6
317.11377	2.7
334.22238	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	334.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
55.01857	1.6
55.05507	4.3
57.03425	4.9
63.26723	1.3
64.97425	1.3
64.97853	1.3
67.05508	12.7
69.03422	3.2
69.07055	3.7
69.35967	10.9
71.05008	2.6
72.08160	2.9
79.05502	10.9
81.03424	91.8
81.07052	12.8
83.04977	6.9
83.08624	21.5
87.04457	4.2
89.72625	1.3
91.05490	14.5
93.07043	9.4
95.04975	25.7
95.08611	5.0
97.02850	2.7
97.06519	2.2
97.10198	1.9
98.20736	2.6
105.07033	8.7
107.04942	6.4
107.08617	6.3
109.06513	2.2
109.10180	4.9
111.04440	1.8
111.08086	9.3
118.06532	2.0
119.04957	1.2
119.08585	10.0
121.06502	3.5
121.10135	5.0
129.07021	7.8
131.08603	10.6
133.06476	3.0
133.10127	5.7
137.05968	3.7
137.09624	2.7
138.06308	2.8
142.07802	2.4
147.08061	1.7
147.11678	7.6
149.09648	6.3
157.10138	10.3
161.98216	1.3
164.56796	1.1
165.12787	3.0
167.07082	2.7
168.07405	2.9
175.11205	12.3
187.13216	1.6
192.73215	1.3
193.12260	100.0
211.13304	8.8
230.15459	6.9
236.16634	1.4
248.16537	3.4
267.15939	67.6
285.16992	41.1
308.98926	1.4
317.22293	1.9
334.16510	2.0
334.20227	15.4
334.24155	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.9
57.07072	0.9
57.27075	0.5
66.56231	0.6
67.05498	1.4
70.06645	0.5
71.54035	0.9
79.05487	1.3
81.07049	1.6
83.04945	0.7
87.04476	0.8
91.05481	1.3
93.07027	1.2
95.08598	0.9
97.06529	0.5
98.98470	26.8
100.98872	2.0
105.07030	1.6
107.08568	1.2
109.02882	0.9
112.78153	0.7
116.99506	0.6
119.08561	0.8
121.83491	0.6
131.08530	0.7
141.05324	0.5
149.02415	0.7
159.11526	0.6
176.98911	3.5
193.05083	0.8
235.13068	1.4
241.68729	0.6
253.12839	1.6
298.46176	0.7
315.19214	0.9
333.16974	3.9
333.20358	100.0
333.31747	1.6
334.20660	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97118	0.5
53.03951	1.2
55.05518	3.0
57.03442	3.2
57.07073	1.1
60.55138	0.6
66.91596	0.5
67.05508	5.9
69.07071	3.3
69.86373	1.0
69.86783	2.0
71.66888	0.5
79.05492	7.3
81.03414	2.3
81.07063	6.1
81.44562	0.5
82.71777	0.5
83.04955	0.8
83.08638	1.2
91.05494	6.3
93.07054	9.1
95.04999	0.8
95.08611	4.2
97.06558	0.9
97.10175	0.8
98.67093	0.5
98.98473	8.0
100.98892	0.5
105.07040	9.8
107.04913	0.6
107.08622	4.3
109.02882	6.0
109.10171	1.6
117.07033	2.3
119.08590	8.9
121.10157	3.9
127.03920	1.1
128.06209	0.6
129.07027	0.6
131.08580	2.8
133.10146	5.4
135.08107	1.0
135.11710	2.9
143.08595	1.3
145.10146	3.0
147.11708	3.1
149.09644	0.7
149.13318	1.6
157.10173	1.1
159.11732	2.5
161.13260	1.7
171.11725	1.6
173.13336	2.2
175.14874	1.0
176.98911	0.8
185.13216	1.1
189.12991	0.5
193.04964	1.2
199.14940	1.1
204.41689	0.6
217.19580	0.6
241.19547	3.4
259.20660	2.2
315.23047	1.2
333.20447	100.0
333.24289	15.9
334.20822	0.9
352.37460	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
57.07063	2.0
67.05495	2.1
68.90064	0.9
69.07069	1.1
69.42986	5.3
70.06580	0.9
79.05456	1.5
81.03391	0.8
81.07047	2.5
91.05482	1.7
93.07047	2.4
95.08611	2.1
98.98478	13.3
100.98888	1.2
105.07043	2.6
107.08614	1.8
109.02856	1.4
117.07007	1.1
119.08633	2.0
133.10158	1.6
135.11671	0.9
147.11655	1.5
149.02397	2.1
159.11777	0.9
161.13220	1.4
165.50029	0.9
176.98961	1.5
193.04997	3.5
201.09711	0.8
218.08124	0.8
247.13092	2.7
266.93793	0.9
270.57895	0.9
302.23938	1.2
313.75034	0.8
315.19357	6.0
333.20398	100.0
333.25021	5.9
333.76163	1.3
334.29672	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1909
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
55.05517	5.1
57.03412	1.2
59.04989	2.8
63.46587	1.0
67.05505	2.7
69.03427	1.8
69.07066	5.0
69.19990	7.6
69.20392	1.5
70.06573	1.0
71.04996	16.6
71.39429	1.0
73.02899	1.0
73.06550	3.1
79.05502	5.9
79.58649	0.8
81.03407	1.8
81.06586	1.5
81.07057	23.8
82.05634	0.9
83.04991	1.1
83.48336	0.9
85.02897	4.3
87.52611	0.9
91.05479	4.0
93.06559	1.3
93.07057	14.4
95.04988	1.5
95.08609	4.9
97.02826	1.0
97.06539	2.7
98.98467	4.9
105.07053	1.4
107.08604	13.1
109.02843	1.5
109.10164	3.2
111.08072	1.5
118.26658	0.9
119.08609	1.2
122.03686	1.4
123.04446	1.0
131.04987	1.0
135.11708	24.5
137.05984	8.4
147.04327	1.1
151.07544	1.6
153.12753	100.0
154.95325	0.9
157.10217	0.9
167.07060	8.4
176.99075	0.9
199.08881	1.0
223.08582	1.0
255.07561	1.3
273.08694	2.9
288.09885	1.2
289.14322	1.9
289.38687	0.9
297.08557	1.3
303.12274	1.0
315.09442	1.3
315.13455	1.1
333.06711	1.0
333.10757	8.7
333.17474	1.2
333.21115	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	333.1909
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03954	6.4
55.01871	2.9
55.05522	4.4
57.03430	9.6
57.07082	14.9
59.05006	12.5
59.50523	2.2
61.02932	15.6
63.95756	2.5
67.05508	15.8
69.03433	28.2
69.07070	16.7
71.05001	9.6
71.32996	4.9
73.02922	5.7
79.05508	3.6
81.03413	11.8
81.07064	7.1
81.08041	2.4
83.08607	6.7
85.02910	92.5
85.06566	14.1
87.04477	6.9
91.03964	4.1
91.05466	3.7
93.07056	7.2
95.04951	4.0
95.08613	52.7
97.02898	29.7
97.06538	9.2
98.98441	6.3
99.04467	5.3
99.08125	13.2
107.04949	3.1
107.08592	11.7
109.02864	9.9
109.06524	9.3
109.10155	21.9
111.08071	10.3
113.09649	93.4
120.46257	2.8
121.06554	5.3
127.03936	18.5
127.11201	48.2
135.11717	17.4
137.05975	10.0
137.13248	8.4
145.04985	24.2
153.12750	100.0
155.14305	18.1
167.07042	10.1
171.13803	57.7
200.64056	2.3
201.95389	2.4
213.14827	4.2
273.08542	3.9
305.54208	2.8
315.09467	3.7
333.10571	4.0
333.14493	4.3
333.19116	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	333.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
55.05502	0.6
57.03439	1.2
57.21520	0.6
59.64215	0.7
61.02912	0.8
62.07530	0.5
65.03934	2.0
67.59822	0.7
68.99792	1.2
69.03439	3.7
70.94016	1.4
72.08154	1.5
73.02911	0.9
76.05113	0.9
81.03427	1.3
81.07040	1.0
82.06567	2.1
83.04986	0.9
84.08155	1.0
85.02444	0.9
85.02909	11.4
93.03403	1.5
95.01316	1.0
97.02895	3.3
98.97571	0.9
98.98460	4.4
103.03918	0.9
107.05003	0.7
109.02894	0.9
111.04459	8.6
121.03965	0.9
123.05588	3.0
127.03877	1.8
130.04915	0.9
136.06163	2.6
137.05930	0.6
139.03914	26.8
141.10202	2.3
145.04953	1.5
153.06483	4.4
156.04149	0.8
158.97406	0.8
163.03888	0.6
171.06525	24.9
177.09816	0.9
183.06505	0.8
234.98991	1.8
289.13538	0.7
315.12643	0.7
333.11545	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.4
61.02957	0.4
66.62635	0.3
67.05494	0.4
69.07061	0.4
70.06577	1.0
71.53711	0.5
72.08166	1.5
74.17503	0.3
79.05478	0.4
84.04462	0.3
84.08142	0.7
85.02895	0.9
86.09708	0.7
91.05478	0.3
93.07010	0.4
94.06557	0.3
95.04980	0.3
96.04530	0.4
96.45531	0.3
97.02869	0.4
97.06561	0.4
98.98473	4.3
107.04957	0.6
110.07154	0.6
119.08652	0.3
120.08112	0.6
121.06555	0.4
121.10108	0.4
122.16260	0.3
123.04422	0.5
127.03926	0.6
130.06538	0.7
135.04440	0.4
137.05992	0.4
139.03931	0.4
147.04391	0.3
153.12785	0.3
153.96820	0.4
155.07005	0.3
158.06013	0.6
165.05554	0.5
166.49594	0.3
167.07025	1.1
169.07616	1.3
170.06036	0.4
171.10014	2.3
175.08670	0.3
176.99039	0.4
177.49013	0.3
185.07076	0.4
188.07095	0.4
197.07127	2.9
198.07930	0.6
199.99829	0.3
203.58881	0.3
209.07112	0.3
216.97977	0.3
227.08118	0.7
230.34541	0.3
243.07640	1.0
251.08238	0.4
269.09219	0.8
273.08728	1.3
297.08817	0.6
305.16998	0.4
315.09836	3.7
315.13214	0.4
333.10977	6.0
333.15198	100.0
333.61652	0.4
334.15375	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1158
Annotation	Tos-Arg-CH2Cl
Peak:m/z	Relative Intensity
69.03424	1.1
69.63338	2.0
70.41737	0.3
75.76292	0.4
81.03415	0.5
84.04471	0.4
84.08136	0.5
85.02911	2.1
91.05486	0.5
93.07044	0.4
97.02840	0.5
97.06517	0.4
98.20784	0.7
98.97599	0.4
98.98468	2.0
107.08578	0.5
108.08109	0.6
109.08454	0.5
111.04398	0.6
123.05537	1.0
127.03942	0.6
134.03677	0.3
135.11728	0.6
136.06190	1.0
137.06018	0.8
139.03870	1.0
152.07091	0.4
153.12785	0.9
158.97400	0.6
171.06416	2.3
171.08389	0.3
190.47462	0.4
216.97856	0.7
219.01823	0.4
234.99066	2.5
243.09497	0.4
273.09531	0.6
315.05045	0.5
333.11545	100.0
334.11774	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.05510	4.1
56.05049	3.1
57.03461	1.3
57.07077	0.8
58.02961	0.7
60.04530	100.0
65.03930	0.9
65.39749	0.6
67.05506	11.3
68.05039	1.4
69.07076	4.4
70.06596	1.1
71.06903	1.7
72.04528	1.8
74.06081	2.6
79.05496	6.8
80.05040	1.6
81.03417	1.2
81.07059	13.9
82.06580	1.6
83.04989	0.7
83.08624	2.3
84.08145	0.8
85.02915	1.2
85.06540	0.7
90.05567	1.2
91.05485	5.6
93.07050	7.8
93.65424	0.6
94.06602	1.8
95.04957	1.4
95.07363	0.8
95.08608	10.5
96.08141	1.0
97.10186	1.0
98.98473	11.3
105.07052	3.3
107.07939	0.7
107.08576	3.7
108.08118	1.6
109.10158	3.9
112.07618	0.8
116.07137	0.8
117.07021	0.8
119.08624	2.1
121.06554	0.7
121.10184	3.6
123.11722	1.5
124.07660	0.7
131.08604	1.9
133.10104	1.6
135.11707	2.5
136.05151	1.2
136.06195	25.0
137.05948	3.9
137.09557	0.6
137.13231	0.7
145.10107	1.2
147.11687	1.3
149.13342	1.0
150.30731	0.8
151.03923	1.1
152.07056	1.0
159.11601	0.7
162.07758	0.8
166.07390	0.7
167.07042	2.9
176.98953	1.4
181.67407	0.7
182.07028	0.6
183.07947	0.6
196.02194	0.5
213.14940	0.7
234.13509	21.1
243.21254	0.6
248.23793	1.3
260.23773	1.9
262.03888	0.8
278.24847	7.5
278.87369	0.7
288.09940	1.3
296.25873	10.1
314.26910	15.3
316.05255	0.9
332.08444	1.7
332.12210	5.9
332.21014	7.6
332.27957	92.0
333.28418	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
55.05516	4.0
56.05027	2.3
57.03424	0.8
57.07085	0.9
59.40433	0.6
59.59686	0.6
67.05508	5.2
68.05009	1.3
69.03454	4.0
69.07054	2.4
69.31764	0.6
69.65530	3.0
70.06595	2.4
71.04996	1.9
71.21534	0.6
76.02218	0.9
79.05491	5.7
80.05027	1.6
81.03432	6.5
81.07059	9.3
82.06585	1.0
83.04992	4.8
83.08628	4.1
84.04500	5.1
84.08148	1.6
85.02892	2.3
85.06543	0.9
86.06074	21.9
86.09689	0.7
87.04476	18.7
87.08116	4.7
91.05474	4.0
93.07056	4.9
94.06579	1.5
95.04957	2.7
95.08614	4.4
96.08141	1.6
96.83385	0.7
97.06522	4.1
97.10184	0.9
98.06068	9.6
98.98445	3.3
102.05547	3.0
104.07113	18.4
105.07021	3.1
107.04997	1.0
107.08605	2.9
108.08131	0.7
109.06537	0.9
111.08086	2.4
112.07602	5.0
117.07001	0.9
119.08581	2.6
121.10116	3.7
122.02769	2.1
122.06046	0.7
123.08033	0.8
123.11711	0.9
124.07597	3.0
126.05527	1.2
129.07007	1.4
131.08626	3.4
133.10161	2.0
135.08083	0.9
135.11682	1.0
138.09129	1.0
138.12830	1.0
140.07072	1.4
142.08620	1.8
147.11719	3.7
148.07579	1.0
149.09625	9.9
154.08675	0.8
156.06613	0.9
157.10141	2.0
158.08174	4.5
159.11713	1.2
165.12752	1.5
166.12259	2.6
167.10623	0.9
175.11209	2.4
176.52129	0.7
177.12782	0.8
182.15424	1.5
182.84805	0.7
184.13373	2.1
193.12267	7.6
195.13809	2.0
202.07019	1.1
202.10739	0.7
210.14922	6.2
211.13283	18.7
212.16501	1.1
213.14952	1.1
224.16489	1.1
228.16035	1.1
234.14801	0.9
246.09738	0.7
250.17958	0.8
252.15878	3.1
259.04593	0.7
260.16513	1.7
268.19135	0.9
270.17056	7.7
274.28311	0.6
278.17444	4.0
283.26315	0.6
286.20258	0.9
288.18060	7.8
296.18503	3.8
300.14362	1.4
314.19626	100.0
315.19855	1.1
332.13382	1.8
332.17123	3.1
332.20786	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1342
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03914	0.5
54.93888	0.5
56.35868	0.5
57.03428	1.2
61.02928	1.8
65.03936	0.8
67.05505	1.1
68.40522	0.6
69.03437	7.5
69.81211	3.2
73.02917	2.2
79.05488	1.1
81.03425	2.0
81.07063	0.9
81.86076	0.6
85.02908	6.4
87.04478	1.6
93.05820	0.8
94.05460	0.6
97.02888	4.0
106.06568	4.1
108.08121	100.0
109.02896	1.4
123.06813	4.2
124.07597	15.1
127.03922	1.5
134.05125	0.9
134.06038	8.9
136.07578	14.3
152.07071	68.0
154.08655	1.6
168.91385	0.6
170.08087	7.2
217.09209	0.5
218.68777	0.6
225.67062	0.6
314.12332	41.7
332.13403	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	331.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05315	1.0
55.05514	10.9
57.03431	5.8
57.07080	100.0
67.05183	1.4
67.05509	21.9
68.10463	1.1
69.06730	1.5
69.07075	18.7
69.92838	4.6
69.93247	3.0
70.06579	2.8
71.08636	68.5
75.04456	4.1
79.05493	1.5
81.07062	30.9
83.08627	25.0
85.10187	41.0
88.07614	4.1
89.07935	1.3
93.07037	1.5
95.08613	51.8
95.80129	1.2
97.10178	13.1
98.98473	53.5
99.11739	3.0
103.09548	1.1
104.81400	1.1
106.08672	3.0
109.10165	24.2
109.47164	1.2
111.11727	5.4
123.11726	13.6
125.13314	3.1
137.13261	6.1
145.02332	1.3
151.14853	2.2
174.99237	2.4
176.98943	1.8
217.52953	1.4
221.22664	2.4
239.23715	28.2
257.24915	6.8
271.51450	1.4
285.15375	1.3
289.80133	1.2
292.76324	1.3
313.27374	74.6
313.33157	3.5
331.08371	2.0
331.34012	43.0
332.63776	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2245
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
50.20743	0.4
57.07060	0.7
67.05498	1.0
69.19003	1.2
69.19405	4.0
70.87992	0.4
71.08633	0.6
79.01336	0.5
81.07069	0.5
84.39004	0.4
98.98473	30.7
100.98900	0.8
120.37487	0.5
120.54246	0.5
145.10107	1.1
146.59543	0.5
174.99234	1.5
176.98845	2.8
180.45557	0.5
183.71661	0.5
220.76488	0.6
331.22452	100.0
332.22794	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2843
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05519	12.2
57.03175	1.4
57.03434	5.4
57.07079	100.0
65.06425	1.1
67.05506	28.0
69.06719	1.7
69.07069	16.2
70.06577	4.2
71.06930	1.2
71.08636	80.5
75.04462	3.6
79.05479	1.6
81.07062	34.1
83.08623	28.7
83.65079	1.1
85.10188	39.3
88.07627	5.6
89.06014	1.8
95.08611	60.0
97.10191	14.5
98.98469	36.2
99.11700	1.5
106.08695	1.9
106.60929	1.3
109.10163	27.0
110.11239	1.5
111.11704	3.3
113.13307	1.8
123.11709	11.8
125.13259	3.0
129.67442	1.3
137.13237	7.5
139.14812	1.7
147.24045	1.2
151.14824	3.1
154.75032	1.1
165.16423	2.2
174.99219	1.8
176.98920	2.8
186.77225	1.1
221.22739	2.5
239.23708	31.3
257.24762	10.0
313.27374	78.4
313.32990	2.5
331.34003	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.1
57.03433	0.7
66.60426	0.5
67.05511	0.9
71.53123	0.5
71.53535	1.0
78.18934	0.5
81.07057	1.4
83.08655	0.5
91.05495	0.7
93.07082	0.7
95.08624	1.2
98.98475	53.8
105.07060	1.5
109.10170	0.9
116.99487	0.7
117.07047	1.2
119.08582	1.4
121.10114	0.7
127.03932	0.8
131.08578	1.6
133.10114	0.8
137.05978	0.6
143.08574	0.8
143.24789	0.5
145.10138	3.0
147.11699	0.6
157.10165	0.6
159.11736	2.4
171.11813	0.6
174.99217	1.8
176.98932	5.1
195.09979	1.2
229.24887	0.5
239.18011	0.7
252.99849	1.3
254.99373	0.8
270.05447	0.5
313.21579	0.7
315.05127	1.7
316.05560	0.5
331.08246	5.5
331.18832	100.0
332.19089	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0801
Annotation	Malvidin
Peak:m/z	Relative Intensity
53.03959	0.1
55.05510	0.6
56.90738	0.1
57.03440	0.1
57.07053	0.1
67.05482	0.1
67.44212	0.1
68.65366	0.1
69.69578	0.1
70.06589	0.2
79.05487	0.1
81.07040	0.2
82.06584	0.2
83.04982	0.4
83.08627	0.4
85.02871	0.1
85.06561	0.1
85.67216	0.1
86.06065	0.1
86.09702	0.2
91.05448	0.1
95.08556	0.1
98.98466	3.9
100.07593	0.2
100.11256	1.5
100.98894	0.1
102.74160	0.1
105.07027	0.1
108.02087	0.2
109.10180	0.1
110.06026	0.2
111.04408	0.2
112.07611	0.1
118.04172	0.1
123.11671	0.1
127.03835	0.1
135.04434	0.1
136.01572	0.2
137.02354	0.2
137.06067	0.1
146.11737	0.1
152.75365	0.1
153.01839	1.2
154.02621	0.2
163.03954	0.1
170.07234	0.1
174.99248	0.2
176.98936	0.4
178.02580	0.5
179.07115	0.2
181.06392	0.1
182.07210	0.1
182.15416	0.4
185.05994	0.1
195.05611	0.1
197.05888	0.1
203.03415	0.2
209.05656	0.1
209.16418	0.4
210.14844	0.5
212.04691	0.1
213.05389	0.5
214.06232	0.3
216.04190	0.1
218.16968	0.1
221.07117	0.1
224.04671	0.1
226.19153	0.2
227.17497	0.1
229.04910	0.3
241.05106	0.5
242.05707	3.8
243.06374	0.1
245.04369	0.2
253.04900	0.4
255.02875	0.3
255.05553	0.1
257.04437	0.2
258.05228	4.3
259.05881	0.1
260.16525	0.1
269.04410	0.6
269.08109	0.1
270.05225	11.9
271.06042	0.3
271.09723	0.1
273.03943	2.5
274.04614	0.2
285.03903	0.9
285.08618	0.2
286.04697	1.5
287.05481	6.1
288.06000	0.1
295.07019	0.1
298.04660	0.3
299.05542	1.0
299.08920	0.1
301.03418	2.7
302.04181	3.5
313.03397	2.7
313.08038	0.4
315.04962	49.1
316.05743	5.7
316.08951	0.5
326.28217	0.1
331.08096	100.0
332.08566	0.8
336.22934	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	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81604	2.1
53.03936	4.3
55.01884	5.1
55.05514	28.9
57.03437	6.5
57.07063	10.1
67.05173	4.4
67.05509	39.3
69.03422	5.0
69.07069	21.1
69.91067	12.1
71.04987	5.6
71.08643	15.4
74.06067	6.4
76.80936	2.4
79.05497	32.7
81.03423	4.2
81.07066	56.5
83.04997	13.5
83.08607	12.2
84.04491	5.8
85.06546	3.5
87.04476	5.5
91.05504	27.2
91.34098	2.2
93.07052	45.0
95.04961	9.2
95.08054	3.3
95.08612	33.1
97.06522	10.0
97.10159	8.9
98.98476	100.0
99.08098	10.9
100.11278	2.8
102.05540	3.2
105.07029	14.0
107.08598	19.4
109.06554	3.5
109.10165	12.4
109.70100	2.0
111.08100	4.8
117.07010	7.8
119.08586	12.8
120.06561	7.2
121.00987	2.1
121.10174	13.7
123.08052	2.8
123.11732	5.1
125.09660	6.1
129.07053	2.9
130.05013	6.9
131.08548	9.3
133.10147	17.7
135.11740	14.8
137.09605	2.7
139.11208	25.9
141.12617	2.2
145.10101	3.5
147.11656	6.9
148.06094	5.1
149.13274	14.8
151.11203	9.0
157.10118	3.6
159.11702	14.0
161.13327	6.1
163.11247	2.9
163.14873	3.7
165.12804	3.0
173.13258	3.0
174.99217	4.2
175.11244	2.5
175.99521	2.4
176.98941	6.5
177.12708	3.5
189.11226	5.7
193.12236	5.1
195.13805	34.5
221.15439	3.6
259.20673	5.2
269.08905	2.4
277.21667	39.4
295.22745	19.9
330.30148	14.0
330.33527	4.6
340.52670	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	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69402	0.7
55.01875	2.0
55.05516	21.5
56.49370	0.7
57.07076	1.3
59.05000	1.0
63.68427	0.7
67.05513	8.6
69.03427	3.0
69.07076	5.5
69.76980	2.8
69.77393	1.5
71.08639	2.6
79.05480	6.0
81.03439	1.1
81.07061	7.4
83.04979	3.3
83.08627	16.0
85.06541	1.3
86.82607	0.7
87.04465	1.2
88.07630	1.7
91.05489	2.7
93.07037	5.4
95.04983	1.1
95.08624	2.8
97.10177	30.2
98.98473	100.0
99.08102	2.4
99.98866	1.1
100.98875	2.0
105.07037	2.9
107.08604	9.4
109.10166	2.8
111.08028	0.8
116.99525	1.7
119.08631	1.2
121.10172	1.6
125.09639	26.2
126.12780	0.9
133.10146	1.4
135.08076	2.3
135.11694	1.0
140.01038	0.9
143.10658	1.4
147.11655	0.7
149.13277	1.5
151.11201	2.2
152.14400	1.3
153.09158	2.2
161.13185	1.3
163.11255	1.2
170.11827	1.2
171.10187	4.5
174.99225	6.6
175.99603	1.8
176.98955	6.3
179.14355	1.3
189.11227	53.2
252.99689	1.5
254.00150	1.3
259.20590	1.1
262.83319	0.9
277.21646	27.3
295.22583	8.6
312.20004	1.0
330.29974	6.7
330.33585	1.9
331.15784	1.6
349.16904	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	330.1914
Annotation	Europine
Peak:m/z	Relative Intensity
53.03952	4.6
54.85062	0.5
55.01883	3.6
55.02103	0.7
55.05509	1.5
56.05015	0.7
57.03436	0.5
60.04530	1.4
65.03957	0.8
67.05181	0.8
67.05513	13.2
69.03420	1.7
69.07071	3.3
69.62086	2.2
70.06602	0.8
70.34200	0.5
71.01352	0.6
71.05003	1.3
72.08137	0.7
79.05503	10.3
81.02982	0.9
81.03427	11.2
81.07066	14.3
83.04985	3.7
83.08640	0.9
85.06544	1.2
86.05585	0.9
86.06078	12.5
86.09711	8.1
87.04477	6.1
91.05489	8.0
93.07048	7.7
95.01319	1.9
95.04977	8.8
95.08595	2.6
97.02905	0.9
97.06545	3.9
98.21478	1.0
98.98476	31.4
100.98871	0.6
103.05462	0.6
104.07117	7.6
105.07004	2.5
107.04964	14.1
107.08607	4.0
109.06559	2.8
111.04453	1.3
111.08044	0.7
111.16474	0.5
113.06004	0.7
115.05476	0.7
116.07135	0.5
116.21392	0.5
116.99567	0.5
117.07029	7.0
119.08611	3.4
121.02928	0.6
121.06506	1.6
121.10155	10.9
123.04446	1.0
123.08028	0.7
124.07572	0.9
125.06010	0.9
128.06197	0.7
129.07005	2.6
130.07796	0.7
131.04951	1.7
131.08577	3.5
132.05685	0.6
133.06458	0.5
133.10135	0.7
135.07951	0.6
135.11705	5.5
137.09694	0.5
145.06496	5.7
145.10143	13.9
146.11778	3.3
147.08046	1.2
149.09579	1.2
153.06958	0.7
153.12772	0.6
155.08568	7.1
157.10211	0.5
157.13379	2.9
158.07274	0.6
163.11201	12.3
168.06616	0.9
173.09644	18.4
174.05635	0.5
174.99254	1.4
176.98978	2.1
180.05727	0.5
181.12273	1.7
185.12822	1.1
191.10689	8.4
191.12329	0.8
208.05182	2.2
209.11714	4.1
227.12791	3.5
236.04895	0.6
254.05621	0.9
269.08038	1.4
271.06097	1.1
276.15842	1.0
284.12024	0.8
294.17062	0.6
307.31775	0.6
312.18076	100.0
313.18439	0.8
315.05042	1.5
315.08649	5.4
330.10938	6.1
330.19412	4.4
330.26324	1.6
331.08157	3.9
331.11652	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2087
Annotation	HU-331
Peak:m/z	Relative Intensity
50.28882	0.5
50.33385	0.5
51.91126	0.6
53.11531	0.6
56.18363	0.6
69.78070	1.0
69.78481	2.0
98.21455	0.7
98.98478	30.1
104.09427	0.6
149.79738	0.6
159.55286	0.6
165.25867	0.6
174.99269	3.8
176.98889	1.5
329.20895	100.0
330.21274	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	330.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
60.59676	0.2
61.02922	0.3
67.05492	0.3
68.39505	0.2
68.85304	0.2
69.03439	1.4
69.07082	0.3
69.24538	0.2
71.04996	0.4
71.34312	0.2
71.53780	0.3
73.02931	0.3
77.03980	0.2
79.05486	0.9
81.03417	0.5
81.07043	0.5
82.22772	0.2
85.02917	1.5
86.06065	0.4
87.04437	0.4
90.73561	0.2
91.05509	0.6
92.06275	0.5
93.05791	0.4
94.06579	0.4
95.08583	0.4
97.02901	0.7
97.10196	0.3
98.97861	0.5
98.98478	7.2
99.04465	0.2
103.05490	0.4
105.07032	2.0
106.06557	0.3
107.07349	2.5
109.02856	0.4
117.05772	0.6
122.09679	8.6
127.03893	0.2
132.08112	0.7
135.06824	0.6
135.08017	0.4
137.06021	0.4
139.03880	0.5
140.04230	0.3
140.07072	0.4
140.49989	0.2
150.09154	100.0
151.09471	0.5
153.09181	0.4
168.06583	0.3
168.10207	5.1
174.99284	0.4
176.98972	0.5
191.14362	0.6
198.03111	0.2
201.38402	0.2
209.26547	0.2
241.45174	0.3
277.29663	0.2
315.05255	0.3
315.08810	0.6
330.10742	0.5
330.14798	0.4
331.08133	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.6
55.05512	48.3
67.05502	13.2
69.03425	7.9
69.07072	17.7
70.58424	5.3
78.80790	1.8
79.05496	27.3
81.07060	15.6
83.04974	3.6
83.08624	35.0
91.05469	10.3
93.07050	7.6
95.08607	6.0
97.09541	4.1
97.10172	73.5
98.98475	36.1
105.07019	12.6
107.08598	77.3
109.06557	2.5
109.10178	2.2
111.08041	1.9
119.08590	5.7
125.09634	57.2
133.10109	8.2
135.08054	5.3
141.48746	1.9
143.10687	2.9
145.10103	10.1
147.11694	4.8
149.09644	5.6
153.09146	5.6
159.11729	2.0
171.10165	23.2
174.99329	3.6
179.14279	2.8
181.12219	3.5
189.11218	100.0
215.17682	2.4
239.18016	3.7
257.19006	9.9
275.20081	90.6
293.21112	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	328.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54125	0.4
53.03933	0.9
53.93530	0.6
55.01865	1.0
55.05514	2.9
56.96571	4.2
57.03439	2.9
57.07081	1.5
58.06610	0.8
59.05011	2.7
61.02931	6.6
67.05505	1.2
68.05028	5.2
68.29424	0.5
69.03431	5.6
69.07094	2.6
70.06606	3.2
70.10116	2.3
71.05000	7.9
71.08618	0.6
71.59697	0.5
72.08160	8.2
73.02914	2.3
73.06583	0.6
77.01576	0.6
79.05495	1.8
81.03410	2.3
81.07065	13.9
82.06579	1.3
83.04996	0.6
84.04520	0.8
84.08154	1.2
84.96049	0.8
85.02917	11.2
85.06544	5.6
87.04505	0.7
87.08103	1.4
89.06039	9.9
90.05537	0.6
91.05474	1.2
95.06099	83.1
97.02893	4.1
97.07662	5.8
98.06061	0.7
98.20840	1.0
98.97614	6.0
98.98475	100.0
99.04459	2.2
99.99017	0.7
100.98914	0.9
103.07590	19.3
109.02882	1.5
109.07671	0.7
109.10113	0.8
109.16814	0.6
110.06042	1.0
110.07192	1.0
110.09691	1.1
110.97574	1.7
111.05569	1.2
112.07602	3.1
112.39430	0.6
113.06017	1.3
113.09628	1.5
116.98614	2.5
116.99509	1.9
117.05506	1.1
119.01838	0.6
119.04925	1.4
120.08159	1.0
120.19839	0.6
121.04042	2.9
123.04469	0.6
124.99152	0.8
127.03922	2.1
128.98605	1.2
130.08635	3.6
130.53841	0.5
131.07053	2.7
136.06157	0.5
137.05966	0.6
139.03891	2.0
139.04955	0.6
140.07074	1.9
143.00201	1.4
145.01732	0.8
145.04990	1.6
146.01256	0.7
146.99710	0.7
147.04430	2.6
149.07005	1.2
149.08110	13.7
150.05501	1.4
151.12315	16.4
156.03329	3.0
158.99655	2.5
161.01266	1.1
163.03874	0.7
166.04927	0.9
166.08630	1.0
167.07057	0.9
167.11835	2.1
168.03284	1.3
170.99712	1.1
172.94347	1.2
174.04378	2.3
174.55199	1.4
174.99251	9.8
175.04405	0.7
175.12396	0.7
175.99605	1.7
176.98932	3.2
177.00630	0.7
181.09732	0.8
182.99796	0.8
186.04373	4.3
188.07622	0.6
190.95355	1.2
193.13388	14.7
200.02419	0.6
201.00693	1.4
202.01385	0.6
204.05450	2.0
207.14883	1.1
210.54366	0.6
213.05533	0.8
219.01749	2.9
219.07706	0.7
225.15996	66.1
230.57872	1.4
232.96480	2.1
237.02805	3.3
238.05939	0.9
240.17058	0.8
241.15474	1.3
247.06271	0.7
250.97476	0.9
251.00139	0.9
252.20728	8.0
252.99690	1.4
260.15085	1.1
262.05878	0.7
266.12357	1.3
266.22327	1.7
268.04935	0.8
269.14972	1.0
284.23355	57.8
296.19754	3.4
310.08673	0.7
310.12805	0.8
328.10220	0.8
328.19376	1.0
328.22476	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	328.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66003	0.5
57.03438	1.8
58.78449	0.7
59.05003	31.5
61.02925	1.4
69.03420	1.4
70.06597	2.2
70.21635	2.8
72.08150	2.3
73.06558	100.0
81.03423	1.1
84.58128	0.6
85.02908	7.8
86.09697	2.5
91.05476	1.1
97.02921	1.6
98.98470	70.3
104.20570	0.8
116.07117	2.2
116.99506	1.0
117.09135	7.7
119.04974	1.5
120.05293	0.9
120.08176	0.8
122.06184	0.6
127.03937	1.5
131.10666	8.9
139.03915	1.0
147.04425	2.4
147.08113	1.8
148.04759	4.2
148.07581	0.7
149.11737	50.4
166.08673	0.8
174.99213	7.1
175.00516	0.8
175.99648	1.3
176.98953	2.5
190.08781	0.9
207.10239	2.4
213.16125	0.8
252.99696	1.1
285.08603	2.2
313.94934	0.7
316.49640	0.7
328.15564	0.9
328.21658	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47129	0.3
53.91334	0.4
58.99589	1.7
67.05518	1.3
69.03434	100.0
70.03761	0.4
70.96129	0.4
70.96463	0.8
73.44115	0.4
75.69643	0.4
76.02235	12.8
81.07059	0.5
83.04964	1.8
85.01141	0.6
95.04962	0.6
95.08620	0.6
98.98474	4.1
99.02668	0.6
102.03751	0.6
109.02909	2.2
109.10167	5.1
111.04444	0.6
113.00601	6.5
113.01336	0.7
113.04212	0.7
121.10157	0.7
122.02734	4.4
123.08097	1.8
125.05956	0.4
133.06497	0.5
137.05968	1.2
137.09630	1.0
138.06302	0.4
139.11186	20.5
144.04814	1.4
147.11682	1.0
151.07562	8.7
154.29474	0.4
183.04758	10.6
189.12718	1.1
190.05304	2.2
207.13820	60.4
208.14143	1.1
239.11012	10.4
282.15244	0.9
311.13095	0.5
312.69458	0.4
328.15811	9.1
328.19495	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	5.3
60.69693	0.7
61.02931	1.0
69.03424	2.1
71.04993	16.7
71.22899	1.0
71.98681	0.6
73.02906	0.9
73.44677	0.6
81.03421	1.7
85.02905	10.2
89.06034	100.0
97.02906	2.7
98.97581	1.2
98.97711	1.1
98.98470	17.7
99.04454	12.2
103.07584	0.9
109.02908	0.9
110.97589	0.7
113.05997	1.6
117.05502	2.2
127.03894	1.1
131.07045	11.9
139.03908	2.6
145.04996	1.6
147.04449	0.7
149.08095	62.9
166.08646	1.1
174.99208	0.8
175.04324	0.7
210.56100	0.6
329.12207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.01878	0.8
55.05267	0.6
55.05517	9.4
57.03442	2.7
57.07081	2.9
59.05007	0.5
65.03929	0.4
67.05511	10.1
68.32700	0.3
69.07073	12.5
71.04991	1.6
71.08641	0.8
71.54019	0.5
78.88603	0.4
79.05493	4.0
81.07064	17.8
83.04993	0.6
83.08622	7.9
85.06548	1.4
89.06058	0.6
91.05512	2.6
93.07057	6.0
95.04973	0.7
95.08616	18.9
97.06539	1.6
97.10181	4.5
98.98476	100.0
99.08112	0.7
105.07063	1.9
107.08607	5.0
109.06510	0.6
109.10159	7.4
109.10837	0.6
111.08076	3.9
111.11717	1.8
116.99546	1.3
119.08614	2.0
121.10172	4.2
123.08058	0.6
123.11721	4.4
125.09646	0.8
125.13310	0.6
127.46849	0.4
133.10162	1.8
135.11708	3.9
137.06007	1.6
137.09642	0.5
137.13237	2.4
139.11194	0.5
140.01062	0.6
145.10118	0.4
147.11679	1.9
149.13274	3.8
151.11223	0.7
151.14835	1.2
153.12682	0.4
155.10825	0.5
161.13318	1.1
163.07536	0.6
163.14897	1.4
165.12784	0.6
167.14326	1.4
174.99237	15.3
175.14873	0.5
177.16505	0.4
189.16394	0.4
217.19624	1.1
235.20627	1.6
250.99950	2.4
273.25772	1.0
279.26807	0.6
291.26910	1.7
297.27969	0.5
300.92618	0.4
309.24280	1.1
309.27966	2.6
327.08215	0.7
327.25363	13.1
327.28827	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01869	1.0
55.05512	22.2
57.03437	8.3
57.07076	2.8
59.04963	0.5
65.03947	0.6
67.05507	29.6
69.03429	1.0
69.07070	28.6
69.79526	1.7
71.04996	3.7
71.08627	1.1
77.93427	0.4
79.05489	9.6
81.07059	35.0
83.04991	1.6
83.08620	16.0
83.17981	0.4
85.06544	2.4
91.05492	7.0
93.07047	10.9
95.04960	1.2
95.08609	28.6
97.06546	5.1
97.10172	11.5
98.98469	100.0
99.04468	0.7
99.08100	1.8
101.06007	0.8
103.05467	0.4
105.07033	6.9
107.04927	0.6
107.08595	6.6
109.06515	0.9
109.10157	13.0
111.08098	2.8
111.11717	3.1
113.09648	0.6
115.07610	0.5
116.99511	1.5
117.07000	0.6
119.04959	0.5
119.08583	4.2
121.10147	8.0
122.69980	0.4
123.04488	0.4
123.08085	1.4
123.11715	6.0
125.09633	1.7
125.13256	0.8
131.04915	0.6
131.08536	0.7
133.06509	1.6
133.10126	4.8
135.11694	9.9
137.05984	3.5
137.09633	1.6
137.13231	2.4
139.11185	1.1
145.06522	0.6
147.04419	7.5
147.11685	4.6
149.13260	1.9
151.07520	0.6
151.11221	1.0
151.14784	0.9
153.12749	1.2
161.06023	1.0
161.13255	3.0
161.88628	0.4
163.07509	1.4
165.12738	1.3
167.07047	4.9
167.14320	0.7
170.54779	0.4
174.99229	15.8
175.14824	1.7
179.14308	1.1
189.16318	0.7
193.08595	0.6
193.15857	0.5
207.17557	0.4
217.19504	4.6
235.20609	4.7
243.72525	0.4
250.99968	3.4
253.21646	1.3
267.10104	0.6
277.08609	0.9
291.23154	1.0
295.09659	0.7
309.24246	4.9
327.08435	1.3
327.12357	1.6
327.18127	1.3
327.25290	47.9
328.25986	0.5
340.13068	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01867	1.1
55.05513	23.1
57.03187	0.8
57.03441	10.3
57.07084	3.8
65.03941	1.0
67.05508	28.0
69.03428	0.9
69.07072	28.0
70.78708	0.8
70.79031	0.8
71.04993	4.0
71.08620	1.3
79.05500	11.0
81.07061	36.1
83.04982	1.8
83.08618	15.6
83.09117	0.7
85.06548	2.1
91.05488	6.1
93.07052	11.6
95.04970	1.1
95.08610	33.9
97.06540	4.4
97.10174	10.5
98.98470	100.0
99.08099	1.3
105.07033	6.2
105.94857	0.5
107.08598	9.2
109.06512	1.0
109.10162	13.4
111.08069	4.8
111.11699	4.1
113.09646	1.8
119.08589	3.7
121.10146	8.6
123.08094	1.7
123.11712	5.5
125.09647	1.6
125.13270	1.0
127.07537	1.0
133.10146	5.8
135.11697	8.3
137.06001	0.8
137.09572	1.2
137.13260	2.3
139.11197	1.8
140.01064	0.5
145.10251	0.5
147.11688	4.4
147.61255	0.6
149.13260	4.6
151.11176	1.3
151.14867	1.1
153.12775	1.7
161.13297	3.3
163.14830	1.2
165.12718	1.0
167.14343	1.0
174.99229	16.2
175.00684	1.1
175.14896	1.4
179.14320	1.0
187.86142	0.5
193.15941	0.6
205.45288	0.5
217.19524	4.3
235.20642	4.1
250.99922	3.0
253.21735	0.8
273.25900	1.0
291.19577	0.9
291.26880	1.5
309.24213	2.7
309.27722	1.1
327.25317	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	327.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01862	1.2
55.05518	18.8
55.05790	1.0
57.03443	10.5
57.07086	2.9
65.03938	1.0
67.05510	27.4
67.90588	0.5
69.03434	0.5
69.07076	24.0
69.80125	1.9
71.04998	3.2
71.08639	0.9
72.71832	0.5
76.35224	0.4
77.01645	0.6
79.05502	9.2
81.07066	32.5
83.04980	1.4
83.08630	14.1
85.06558	2.6
87.04483	0.5
91.05491	7.1
93.07053	11.2
95.04987	1.1
95.08617	28.2
97.06545	3.7
97.10177	10.0
98.98476	100.0
99.08099	1.6
103.05473	0.6
105.07049	5.2
106.07384	0.4
107.04956	0.5
107.08600	5.7
109.06530	1.2
109.10172	10.7
111.08099	1.9
111.11744	3.3
113.09685	0.6
116.99532	1.4
119.08579	4.9
121.06503	0.5
121.10157	8.7
123.08083	1.5
123.11723	4.4
125.09681	1.3
125.13309	0.6
133.06525	2.0
133.10156	5.4
135.08043	0.5
135.11699	7.6
137.05989	3.9
137.09607	1.0
137.13301	2.2
139.11174	1.0
140.01076	0.5
145.06546	0.7
145.10188	0.4
147.04425	7.3
147.09669	0.5
147.11687	3.4
149.09706	0.5
149.13310	2.0
151.11215	1.4
151.14796	1.1
152.04710	0.6
153.12778	1.9
161.05928	0.5
161.13310	3.2
163.07573	1.2
165.12793	1.3
167.07047	5.7
167.14240	0.5
174.99245	14.7
175.14825	1.4
179.14310	1.2
193.08672	0.5
193.19618	0.5
217.19536	4.2
234.06763	0.7
235.07420	0.5
235.20572	5.4
249.09146	0.7
251.00058	2.7
252.00360	0.5
253.21628	1.2
277.08649	1.1
291.23233	0.9
298.08725	0.4
309.24277	4.8
327.08600	0.9
327.12344	2.0
327.17758	2.1
327.25327	43.6
328.25562	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87390	1.2
53.03940	3.1
54.83404	1.0
55.05510	6.2
55.28606	1.1
57.03432	1.3
57.07066	2.5
67.05514	14.1
69.07077	6.6
79.05497	10.7
81.07062	12.3
83.04958	2.4
83.08611	1.6
85.06560	2.5
91.05486	17.8
93.07050	32.9
95.04975	34.7
95.08614	26.9
97.06535	8.7
98.98473	100.0
103.05488	2.0
105.07033	28.1
107.08608	17.8
109.06509	4.5
109.10166	9.9
114.46875	1.3
115.05433	1.3
116.99546	1.9
117.07022	9.3
119.08592	29.6
121.06533	8.4
121.10137	14.8
123.08067	5.6
123.11710	3.7
128.06239	2.5
129.07030	3.7
130.07831	2.7
131.08600	11.7
133.10133	23.8
133.96884	1.1
135.08040	5.2
135.11697	5.3
136.40419	1.1
137.09605	2.0
141.06940	1.3
142.07782	3.8
143.08583	8.6
144.09346	3.4
145.10144	18.3
147.11681	7.3
149.09624	1.9
151.11217	2.2
155.08592	3.7
156.09341	2.5
157.10158	15.0
158.10970	1.7
159.08083	2.3
159.11700	19.3
161.09615	5.7
161.13203	2.4
163.11172	1.8
169.10167	6.3
170.10945	1.5
171.11714	5.1
173.13306	6.4
174.99255	10.9
175.14856	10.7
177.12582	1.4
179.08533	1.8
181.10089	2.8
183.11688	5.0
185.13225	4.6
187.11179	5.0
187.14815	7.2
189.12857	1.7
192.28317	1.3
195.11630	2.3
196.12386	1.7
197.13303	6.1
199.14812	5.1
201.16403	1.8
205.15895	1.8
209.13268	4.6
211.14833	3.8
213.16467	2.0
215.14420	1.4
217.15852	3.5
221.13393	1.3
225.16377	2.2
235.14882	2.1
239.18083	2.3
241.16168	1.3
250.99960	3.3
253.15948	2.5
265.19498	1.7
283.20709	1.5
291.21085	2.1
309.22137	3.2
327.07742	2.2
327.23123	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	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.8
55.01852	4.2
55.05523	17.2
57.03418	3.4
57.07070	4.3
58.08057	2.9
59.04993	2.9
59.88880	2.7
65.03946	2.9
67.05505	41.5
67.41090	2.9
68.27760	2.7
69.03442	2.9
69.07069	15.4
71.04994	4.4
77.03936	3.1
79.05495	23.7
80.41824	2.6
81.03434	5.1
81.07068	36.2
83.08621	8.7
85.06537	4.5
91.05479	38.2
93.07047	89.8
93.07638	5.0
95.04980	79.4
95.08617	62.0
97.06552	23.0
98.98476	100.0
105.06321	3.0
105.07037	60.6
107.05024	2.9
107.08602	40.3
109.06516	12.0
109.10159	22.7
109.64865	2.7
115.05448	5.5
117.07027	18.9
119.08591	74.8
121.06521	18.8
121.10146	35.8
123.08092	16.4
123.11720	12.4
128.06210	4.4
129.06999	11.0
130.07800	6.9
131.08572	29.0
133.10144	52.4
135.08057	10.7
135.11687	10.0
137.09599	6.7
141.06979	5.3
142.07805	12.2
143.08574	21.8
144.09308	5.5
145.10135	45.2
146.56787	3.0
147.11716	19.2
149.09619	6.0
149.13266	3.7
152.06244	4.3
153.07043	5.6
155.08546	8.9
156.09372	8.2
157.10156	35.3
158.10905	5.1
159.07999	6.8
159.11700	46.0
159.45831	3.4
161.09641	24.2
161.13301	7.1
163.11165	5.6
167.08591	4.3
168.09300	3.6
169.10187	15.3
171.11662	16.6
171.22765	3.1
172.12520	3.1
173.09573	7.1
173.13274	18.5
174.99252	14.5
175.14816	24.9
181.10112	5.1
181.48264	2.8
183.11702	12.6
185.13261	10.0
187.11172	9.5
187.14804	18.9
189.16389	4.0
193.10040	3.9
195.11740	5.5
196.12604	3.5
197.13292	16.5
199.14859	10.3
201.16376	5.8
207.11777	4.3
209.13263	8.4
211.14854	7.8
213.16373	6.8
215.14275	4.0
217.15955	6.7
221.13258	5.2
223.14761	3.6
225.16425	6.8
227.14322	5.4
229.15849	6.4
233.03534	5.2
235.14766	7.5
239.14265	3.1
239.17917	4.8
283.20908	3.2
309.22025	6.8
327.07907	26.9
327.23114	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	327.2167
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
52.21136	1.0
52.47250	1.2
54.20824	1.2
55.01875	2.8
55.05270	1.5
55.05517	22.0
57.03434	3.3
65.66874	1.0
67.05511	14.6
67.20718	1.1
69.03431	4.7
69.07068	6.2
71.04980	1.9
79.05500	13.1
80.22916	1.3
81.03413	2.4
81.07065	15.9
83.04997	5.8
83.08629	14.1
85.06553	1.4
91.05485	5.2
93.07057	18.2
95.04977	13.2
95.08614	17.3
97.06543	3.0
97.09554	1.5
97.10173	24.7
98.20792	2.5
98.98475	100.0
105.07052	5.5
107.04956	1.4
107.08605	9.0
109.06532	1.4
109.10168	5.7
111.08067	1.9
117.07018	2.9
119.08588	7.5
121.10168	6.1
123.08083	46.1
123.11726	5.0
125.09645	20.2
131.08592	3.2
133.10114	4.7
135.08066	3.1
135.11717	1.2
137.09598	3.1
139.11206	2.0
145.10130	4.8
147.08055	3.0
147.11717	2.1
148.28539	1.2
149.09642	1.3
153.09102	1.6
157.10164	1.8
159.11682	1.3
161.09637	1.0
163.11177	1.9
165.09088	4.4
169.12230	7.1
171.10204	2.6
171.11650	2.2
174.99232	14.8
175.11240	2.1
187.13295	11.8
189.11237	16.5
193.12242	1.4
211.13286	3.2
223.13286	4.0
227.17953	1.8
245.19229	1.7
251.00134	3.2
255.17471	3.3
263.20047	1.8
273.18500	25.6
291.19556	33.4
291.22928	1.6
309.20676	11.6
327.12064	1.3
327.21716	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.3
53.03941	0.5
55.01869	1.2
55.05515	2.9
57.03447	1.8
58.64083	0.3
65.03929	0.3
67.05505	6.5
67.13544	0.3
67.31679	0.3
69.03429	1.0
69.07066	1.5
70.06599	2.4
71.01350	1.3
71.04987	0.9
71.53426	0.4
71.53835	0.4
72.08152	3.4
77.01610	0.8
79.05495	4.3
80.55572	0.3
81.03426	5.2
81.07055	3.5
83.04986	1.4
83.08617	1.1
85.06554	0.5
89.06023	0.3
91.05486	3.9
93.07043	4.0
95.04973	11.0
95.08611	1.8
97.02863	0.4
97.06553	0.9
97.10197	1.1
98.98469	100.0
99.04440	0.5
103.03941	0.8
103.05460	1.1
105.07046	3.5
107.04960	3.1
107.08595	3.3
108.04452	0.5
109.02885	2.6
109.06523	1.5
109.10151	0.9
110.02436	0.3
110.06061	0.6
111.04439	0.7
111.08092	0.6
115.05503	0.4
116.99508	1.5
117.07011	1.6
119.08588	2.4
121.06503	1.6
121.10107	1.8
122.03672	0.8
122.06040	3.1
123.04430	15.6
123.08069	0.9
125.09623	1.0
129.07008	1.8
131.04921	1.8
131.08578	1.5
133.06522	2.4
133.10143	1.5
135.04437	0.3
135.08089	1.9
135.08990	0.3
135.11682	1.5
137.05986	8.6
138.06308	0.5
139.03917	0.5
139.11182	0.3
140.01082	0.7
143.08574	1.0
145.06473	1.1
145.10149	2.6
147.04425	0.6
147.08049	1.2
147.11734	1.6
149.09607	1.0
151.07559	1.1
153.09096	1.5
157.06581	0.4
161.13260	0.4
163.07556	3.6
163.11176	3.6
165.12787	0.6
170.80330	0.3
171.10426	0.3
171.11691	1.7
173.09645	1.7
174.99234	15.5
175.07555	0.5
175.11137	0.3
178.12279	0.5
181.01036	0.6
188.10725	1.0
189.09061	0.4
189.11238	0.5
189.12741	2.7
190.12273	0.4
191.10663	1.7
197.00569	0.4
197.13737	0.4
199.11165	1.0
206.11728	1.0
207.08286	0.4
207.11891	0.6
207.13776	3.9
208.13344	0.5
212.02939	0.4
217.12296	3.1
218.11807	0.5
235.13298	20.9
236.12704	2.0
251.00061	3.4
253.14392	0.6
255.96992	0.3
267.08258	0.9
277.08685	0.6
277.19095	0.8
278.17514	7.5
283.21030	0.8
295.13187	0.8
295.20187	11.0
309.09451	8.9
309.16971	18.8
327.10480	52.0
327.23410	0.8
328.10913	0.4
330.31903	0.4
334.99780	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
54.42810	0.4
55.01880	0.9
55.05523	3.5
55.67281	0.5
57.03428	1.8
67.05515	6.1
69.07078	1.1
70.06600	1.2
70.50644	0.9
70.50976	0.7
71.01355	1.2
71.05024	1.1
72.08160	1.6
79.05499	6.3
81.03417	6.3
81.07063	4.4
83.04974	1.3
83.08622	1.3
91.05513	3.4
93.07041	3.7
95.04973	11.9
95.08611	1.9
97.02921	0.5
97.06525	0.5
97.10160	1.6
98.98474	100.0
103.03979	0.7
103.05482	1.1
105.07040	3.8
107.04955	3.6
107.08610	4.1
109.02878	3.4
109.06523	1.7
109.10161	1.5
113.02155	0.5
114.02923	0.9
116.99545	1.0
117.07037	2.0
119.04973	0.6
119.08601	2.4
121.06521	2.0
121.10143	1.5
122.06046	1.5
123.04438	13.2
123.08061	0.6
123.11681	0.5
125.09657	1.0
129.06993	1.9
131.04951	1.9
131.08588	1.1
133.06519	3.0
133.10155	1.2
135.08051	1.5
135.11697	1.8
137.05998	8.8
137.09592	0.6
139.03806	0.8
140.01036	0.8
143.08556	1.2
145.06516	0.6
145.10129	3.4
147.04402	0.8
147.08037	0.7
147.11710	1.5
149.06071	0.8
149.09587	0.9
151.07616	1.2
153.09120	1.3
155.08647	0.7
163.07574	3.3
163.11191	3.6
165.12839	0.6
167.07010	0.6
171.11748	2.0
173.09674	2.1
174.99248	15.3
175.00694	1.0
175.07471	0.6
181.01128	1.1
189.12747	3.0
191.10789	0.7
197.00636	1.1
199.11311	0.7
207.13785	3.2
212.02850	0.8
217.12228	2.9
235.13313	21.7
236.12801	0.9
249.09380	0.6
251.00058	2.9
253.14287	0.7
267.08292	1.4
278.17560	4.4
295.09888	0.6
295.13089	0.8
295.20218	6.4
309.09445	13.1
309.16959	17.7
327.10504	82.4
333.79242	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
54.57555	2.6
56.96551	6.8
57.03432	5.8
61.02935	18.7
66.28317	2.3
69.03407	9.2
69.62923	15.8
70.06586	2.5
70.98090	2.6
71.82515	2.1
73.02909	4.0
76.49123	2.1
79.36810	2.0
81.03401	6.6
83.08492	2.2
85.02909	20.3
97.02886	8.4
98.21529	2.5
98.97589	11.5
98.98470	67.0
101.00868	7.9
104.10712	3.7
109.02888	8.5
116.98608	2.6
119.01896	13.8
126.02623	3.0
127.03915	20.6
128.98595	2.6
131.01880	4.0
135.03098	3.1
143.00182	3.3
145.04944	4.3
146.99623	2.3
153.03900	2.3
155.01817	2.8
157.03416	4.9
161.02901	4.4
171.02560	3.2
171.30870	2.6
173.01164	3.2
173.02835	3.0
174.99184	9.5
181.06114	2.8
182.99619	4.0
185.02950	9.3
189.03563	4.8
201.00667	4.5
209.02792	3.1
213.03500	7.0
213.53636	4.6
220.04099	4.3
220.54427	8.2
227.04019	3.3
228.03920	6.3
229.04735	6.4
229.54848	8.5
245.05051	6.0
251.04289	3.1
257.05252	2.4
269.05411	5.1
269.08200	3.0
287.56989	3.9
309.12860	3.3
311.05991	5.9
327.04718	100.0
327.16403	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	326.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01871	1.9
55.05515	6.1
56.05024	0.9
57.03437	3.5
57.07078	1.6
59.05006	1.6
61.02935	3.8
62.86562	0.7
64.76093	0.7
67.05511	28.1
69.03426	1.0
69.07072	5.1
69.87771	0.7
70.06596	24.4
71.05000	57.9
71.53729	0.9
71.54105	0.9
72.08141	0.9
79.05501	16.7
79.19607	0.7
80.05046	0.8
81.03427	2.6
81.07066	26.0
82.07420	0.8
83.04990	2.4
83.08625	1.9
84.04517	8.0
84.08141	1.0
84.83582	0.7
85.02924	0.9
85.06554	1.4
87.08083	1.0
91.05479	6.4
92.34789	0.8
93.07052	11.9
94.06616	0.9
94.07327	1.0
94.62080	0.8
95.04963	3.6
95.08614	47.5
97.06536	1.7
98.06075	1.6
98.98473	100.0
102.05544	2.8
105.07046	8.8
107.08607	20.6
109.06533	2.2
109.10161	22.2
111.08109	1.1
113.09652	66.5
114.05531	3.4
116.07101	33.2
116.07931	1.0
116.99547	1.1
117.07082	1.2
119.05022	0.8
119.08582	14.6
121.10165	4.6
123.08078	3.0
123.11691	1.7
124.12081	1.0
130.05000	4.7
131.00011	1.0
133.10144	5.5
135.11681	5.1
137.05959	1.3
137.09641	4.2
137.13246	1.1
144.06575	1.8
147.11703	1.2
148.04875	1.4
148.06055	10.8
149.01254	0.7
149.13260	13.0
150.12804	0.8
151.14835	13.6
158.08147	2.5
161.13268	15.3
163.14801	1.5
174.99248	15.3
177.05545	0.9
178.05783	1.2
179.14301	14.9
189.00574	1.5
193.15883	0.9
196.13341	13.6
245.10150	1.1
251.00064	2.5
263.18405	1.4
267.06808	2.3
290.19446	1.3
291.17929	1.2
294.20667	26.2
308.18869	0.8
308.22336	13.1
325.62369	0.8
326.11368	1.7
326.19638	15.1
326.23331	4.6
326.27325	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01554	0.8
53.03943	1.6
53.48263	1.1
55.01878	5.0
55.05508	4.1
56.90994	0.9
57.03428	1.8
57.07084	1.3
67.05183	1.2
67.05509	16.0
69.03452	0.9
69.07077	6.1
69.54494	3.4
69.54916	2.8
71.04998	2.4
79.05495	7.9
81.07065	20.4
83.04990	3.3
83.08620	2.2
85.06524	2.2
91.05490	13.5
93.07038	9.3
95.04982	2.9
95.08619	3.3
97.06547	2.1
98.21485	1.4
98.98475	100.0
99.04445	2.0
100.38061	1.0
105.06383	1.8
105.07040	16.8
107.04993	1.4
107.08598	18.5
109.06514	2.4
109.10165	33.6
111.08082	1.4
113.06011	1.7
116.99513	1.7
117.07023	1.6
119.08598	3.6
121.06514	1.9
121.10185	1.6
123.08070	1.1
123.11730	4.4
125.09708	1.1
127.07529	2.5
131.08562	1.7
133.06487	0.9
133.10138	38.6
134.10503	1.3
135.08086	1.3
135.11606	1.1
140.01120	1.0
145.10139	1.7
149.09607	2.0
151.11194	28.9
161.09601	1.4
169.12253	10.0
174.99243	15.5
179.10701	1.4
215.12723	4.5
226.94948	0.8
245.18997	1.4
251.00078	2.9
263.19989	1.1
273.18518	4.8
278.87958	0.8
291.19614	9.3
325.76236	3.5
326.34177	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	326.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17207	0.7
52.69725	0.7
53.03947	1.6
53.24380	0.7
55.01869	3.2
55.05509	7.2
57.03442	4.9
59.04996	2.2
59.44617	0.7
60.86711	0.7
61.02928	11.4
69.03433	16.5
69.07079	3.7
70.06602	1.0
70.92179	1.3
70.92500	0.8
71.04990	2.4
72.08136	0.9
73.02921	4.3
81.03415	6.0
81.07082	1.7
83.04960	1.2
83.08624	27.5
85.02909	100.0
86.09682	0.8
87.04463	3.1
91.03963	8.0
97.02897	25.1
97.06547	1.6
98.98472	38.9
99.04434	4.4
100.02210	15.8
101.02392	0.8
101.09657	21.4
107.04952	0.9
109.02891	8.0
111.11736	1.1
115.03973	1.4
118.03180	0.9
119.08605	1.1
119.10675	2.2
125.05994	2.3
127.03925	26.1
137.06075	1.5
139.11180	1.0
145.04965	46.0
146.02710	24.8
147.04436	1.1
147.10155	6.4
147.13866	1.1
148.04749	1.2
163.06036	12.2
174.99220	5.4
180.08780	1.8
181.12328	2.1
203.52052	0.8
282.16830	1.3
309.15222	1.0
326.14438	3.2
326.19376	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	326.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.0
56.05037	0.5
56.48086	0.3
57.03445	0.7
67.05505	1.5
68.05029	0.8
69.03435	0.7
69.07086	1.8
70.06593	1.4
71.04990	0.6
71.53677	0.4
72.08166	0.8
79.05492	3.4
80.05032	1.5
81.03419	1.4
81.07060	2.3
82.06612	0.5
83.08638	0.9
84.04513	5.6
84.08179	0.5
85.02909	10.6
86.09724	0.4
91.05506	1.6
93.07057	5.7
94.06579	0.9
95.06086	0.4
95.08634	1.3
96.08147	0.9
97.06570	0.5
98.02445	0.4
98.98476	22.2
102.05563	1.5
105.07059	1.1
106.06620	0.6
107.08574	3.2
108.08121	20.5
109.08907	1.0
109.10210	0.7
110.09682	1.5
114.05558	1.4
115.07565	0.4
116.07097	0.7
118.56863	0.4
119.05022	0.5
119.08610	1.0
120.08138	0.5
121.10096	0.4
122.06019	0.5
122.09682	12.0
122.11059	0.5
123.10475	2.0
123.11690	0.7
127.03193	0.6
129.09120	1.1
130.05037	0.8
131.03409	0.8
133.10133	0.5
134.06091	0.5
134.09619	0.6
135.11697	4.9
136.11221	4.1
137.06097	0.5
140.07111	0.5
142.05035	0.6
147.04439	2.3
147.10176	0.7
148.04778	1.3
148.11221	0.5
150.12790	24.1
151.13571	8.4
152.14345	8.7
153.15094	0.4
164.07083	4.5
167.50290	0.4
174.07526	0.6
174.99249	3.0
182.11742	0.5
190.15891	0.7
191.08188	1.1
192.08531	2.2
194.11778	0.6
205.08614	0.6
208.13416	1.2
210.07652	1.7
218.15521	0.6
222.11214	0.4
223.09137	0.5
228.12346	1.4
236.16479	1.8
238.10818	0.9
238.18102	0.4
251.00060	1.1
252.12305	1.7
253.13112	0.4
264.15930	0.9
280.15466	0.6
282.17007	100.0
283.17343	0.4
284.18561	2.4
308.13324	1.3
308.18576	0.6
326.19614	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	326.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06277	0.5
53.25294	0.5
55.01873	0.8
55.05508	1.3
57.03435	1.8
57.07099	0.5
59.05007	1.6
61.02922	1.6
62.36405	0.5
67.05509	0.7
69.03429	2.6
69.07076	51.1
70.06591	1.0
71.04991	1.2
73.02925	1.0
73.06574	2.5
79.05503	0.8
81.03420	0.6
81.07087	0.8
83.04983	0.5
85.02429	1.0
85.02917	11.5
87.08114	100.0
91.05490	0.6
93.07066	1.0
97.02895	2.5
97.06542	1.2
97.10239	0.5
98.98478	17.8
99.04469	0.9
100.11259	1.7
105.07041	0.9
105.09140	0.9
109.02906	0.7
119.10705	23.1
119.11573	1.1
127.03948	2.0
128.07085	0.7
128.10748	1.9
129.09142	2.2
129.12808	1.0
137.06007	2.1
138.06409	0.7
145.04991	1.4
147.04454	0.8
147.10178	58.4
149.80643	0.5
150.12775	0.6
163.07596	1.1
174.99289	2.5
180.08804	0.5
203.11057	0.6
282.17007	0.7
294.13211	0.5
300.09393	0.5
311.20932	0.5
326.16589	0.7
326.19745	1.3
326.23505	0.9
326.27859	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	325.2735
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03954	1.4
55.01876	4.2
55.05514	18.2
57.03432	2.8
57.07079	8.4
59.04987	3.9
67.05510	33.8
69.03428	7.6
69.07074	67.2
71.04990	11.0
71.08621	1.9
71.54095	2.5
72.08147	1.4
73.02898	1.6
79.05080	1.4
79.05503	21.0
81.03433	2.1
81.07061	100.0
83.04964	4.6
83.08627	10.9
84.04507	2.1
85.02913	2.1
85.06549	16.8
89.06050	1.8
89.42300	1.4
91.05476	13.8
93.06474	2.5
93.07049	37.9
95.04961	4.1
95.08612	73.6
97.02877	1.8
97.06538	12.8
97.10162	5.1
98.71947	1.3
99.08089	9.6
99.85656	1.3
103.05447	2.1
105.07039	17.9
107.04931	1.5
107.08607	39.4
109.06503	5.4
109.10161	36.5
111.08090	44.5
111.11724	12.1
113.09597	1.8
117.06931	1.7
119.04971	2.7
119.08597	14.0
121.06522	3.3
121.10157	21.6
123.08063	4.7
123.11717	36.6
125.09657	8.9
127.11211	2.2
131.08548	2.5
133.02859	4.8
133.10139	10.5
135.08089	1.5
135.11699	23.2
137.05943	4.1
137.09586	4.0
137.13258	12.5
139.11179	15.2
145.10190	7.0
147.04416	9.1
147.11705	13.9
149.09610	2.2
149.13266	17.6
151.07550	2.5
151.10181	1.2
151.11197	9.6
153.12773	18.4
155.10710	1.7
155.14342	1.7
159.11705	6.8
161.13280	8.0
163.07654	2.0
163.11143	2.1
163.14815	7.8
165.12746	11.2
167.14323	8.7
169.12184	2.7
173.13269	3.2
175.07555	1.6
175.11307	1.9
175.14801	4.4
177.12732	2.8
177.16414	4.0
179.14378	2.8
179.15900	1.5
181.12250	6.1
183.13881	1.6
187.14806	2.5
189.16389	4.5
191.17937	3.0
193.15907	2.1
201.16371	2.4
203.17874	3.1
209.19055	1.9
218.07169	1.5
219.20996	1.4
233.11894	1.5
262.18091	2.4
263.23749	1.7
271.24228	5.1
277.25366	3.4
289.18799	4.7
289.25284	18.6
290.17499	2.6
295.26318	2.4
307.20160	4.5
307.26260	24.2
321.07477	1.6
325.10757	3.4
325.15976	8.9
325.21774	7.0
325.27502	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	325.2736
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
55.05510	28.1
55.46814	1.9
57.03432	3.3
57.07083	10.8
59.05011	4.4
63.74256	2.1
67.05509	26.4
69.03438	4.0
69.07072	100.0
69.33508	17.7
71.04994	10.5
71.08626	3.3
77.03862	2.0
79.05496	16.7
81.07063	87.8
83.04539	1.9
83.04981	11.4
83.08620	18.3
84.22834	2.0
85.02900	3.4
85.06585	11.8
85.07011	2.6
91.05489	10.1
93.07047	39.5
95.04961	10.4
95.08608	56.4
97.06535	15.7
97.10159	6.7
99.08098	8.2
102.54765	2.0
105.07054	15.0
107.08604	31.4
109.06515	6.7
109.10166	27.6
111.08091	19.2
111.11736	25.3
111.12453	3.2
112.44042	2.0
113.09657	2.8
119.04945	2.0
119.08591	8.8
121.10168	18.4
123.08047	3.4
123.11716	29.1
125.09657	3.8
127.11144	2.5
129.12759	2.5
131.08611	3.9
133.10127	7.3
135.11688	19.3
137.09602	6.9
137.13243	8.8
139.11203	19.9
142.07336	2.3
142.58395	2.1
145.10135	6.5
147.04382	7.6
147.11702	7.4
149.13261	11.4
151.11179	3.3
151.14766	3.1
153.12733	9.0
157.12309	3.0
159.11624	5.0
161.13260	7.9
163.14804	5.9
165.12747	3.8
175.14928	2.8
177.16347	4.6
181.12294	3.5
189.16394	2.9
203.18004	2.7
209.19066	2.9
235.20642	2.4
239.20082	4.2
277.25446	2.9
288.64127	2.0
289.25235	13.5
295.26392	7.3
307.26358	23.4
325.12354	4.2
325.16248	72.7
325.27380	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	325.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.4
55.01875	12.8
55.05515	32.0
57.03437	9.9
57.07071	3.7
59.04985	3.5
59.32994	3.1
67.05508	80.0
69.03436	8.1
69.07072	34.2
71.04998	8.9
79.05497	56.8
81.03423	12.4
81.07065	80.7
83.04996	15.6
83.08636	19.3
85.06548	6.2
91.05493	51.8
93.07053	51.8
95.04973	18.9
95.08618	53.2
97.06538	100.0
97.10170	15.6
98.20777	6.9
105.07036	40.6
107.04959	15.8
107.08604	50.5
109.06535	15.6
109.10162	50.4
111.04459	7.6
111.08104	16.7
112.63384	3.1
113.05991	7.3
113.09585	3.5
117.07033	15.3
119.08582	34.5
121.06496	10.8
121.10157	24.0
123.08066	13.0
123.11710	12.5
125.09634	14.6
129.07001	4.6
131.08580	20.0
133.10138	44.0
135.08070	11.1
135.11685	13.5
137.09636	7.2
143.08571	7.5
145.10129	24.0
147.04427	7.5
147.11708	16.3
149.09654	16.3
149.13237	9.8
151.11223	20.4
155.10716	3.5
157.10066	6.5
159.08098	3.5
159.11714	16.9
161.09660	4.6
161.13263	6.5
163.11180	11.9
167.72995	3.2
169.10124	4.6
169.12206	5.0
171.11664	6.7
173.09613	4.0
173.11916	3.4
173.13297	7.8
175.11226	6.4
177.12756	9.4
187.11205	5.4
187.13344	3.2
187.14879	7.6
189.11324	3.9
193.12250	5.6
197.13242	5.4
203.12726	3.6
205.12238	4.8
229.19617	4.9
239.18010	4.6
241.14426	3.8
247.20825	5.2
257.18866	15.2
261.18481	6.6
265.21786	3.1
271.16980	10.0
272.12320	3.6
275.20065	94.4
289.18002	28.4
289.21622	12.0
293.21127	14.0
307.19052	19.4
307.22632	8.0
325.20184	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	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	7.7
55.01877	16.7
55.05513	57.7
57.03445	8.2
57.07083	14.6
67.05508	98.2
69.07072	49.9
69.15451	43.1
71.05006	8.6
71.08646	12.4
79.05493	45.8
80.42662	4.3
81.03439	10.6
81.07066	100.0
83.04987	20.3
83.08637	31.3
85.06565	8.9
85.10246	5.1
91.05486	46.9
93.07045	65.7
95.04978	27.2
95.08612	66.1
97.06551	13.5
97.10189	15.3
99.08113	8.1
105.07039	51.3
107.04997	16.9
107.08601	39.2
109.06560	11.8
109.10153	62.1
111.04473	5.3
111.08124	13.3
113.09673	5.1
117.07042	12.5
119.08575	27.7
121.06560	12.3
121.10165	24.1
123.08091	15.2
123.11713	18.3
125.09625	20.1
131.08603	14.5
133.06522	4.6
133.10139	76.3
135.08093	10.6
135.11670	20.5
137.09680	15.6
141.09061	5.8
145.06512	3.9
145.10155	23.5
147.11731	15.0
149.09653	16.6
149.13342	7.2
151.11156	52.9
159.11736	14.8
161.09612	4.2
163.11238	20.5
165.12801	4.3
173.13272	9.1
177.12814	9.2
179.10558	5.0
181.12196	7.4
183.13866	11.8
191.14346	5.5
195.13853	6.0
219.13788	4.2
229.19588	9.5
239.18124	3.7
247.18155	3.6
247.20682	13.2
257.19125	16.9
265.21750	10.7
275.20078	73.5
277.70819	4.6
293.21133	96.1
295.57333	4.0
307.22723	39.1
325.23837	16.0
325.27435	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	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.2
55.01872	3.9
55.05515	30.8
57.03440	17.4
57.07062	6.3
61.35834	1.6
65.03953	2.6
66.38914	1.3
67.05509	100.0
69.03430	5.1
69.07074	32.2
70.06582	1.9
70.70616	2.8
70.70955	2.5
71.04982	4.4
79.05498	50.6
81.07062	98.9
83.04980	7.2
83.08628	22.3
85.06533	6.7
88.07635	1.6
91.05490	38.5
93.07049	60.2
95.04980	33.1
95.08610	86.5
97.06538	16.7
97.10160	6.6
99.08118	2.9
102.09127	1.8
105.07031	27.7
106.84122	1.6
107.08594	36.7
109.06515	4.8
109.10163	41.5
111.08084	10.2
113.09638	1.6
113.77135	1.5
117.07005	7.8
119.08585	23.6
121.06496	5.1
121.10149	48.5
123.08060	4.1
123.11716	13.3
125.09615	4.3
128.06229	2.1
129.07007	4.8
131.08572	18.8
133.06506	1.8
133.10136	29.0
135.08061	4.1
135.11694	42.6
137.09592	5.7
137.13245	2.9
139.11185	4.9
141.07001	2.8
142.07817	3.5
143.08556	8.9
144.09357	2.8
145.10132	17.4
147.04388	1.5
147.11649	8.2
149.02361	2.7
149.09648	4.3
149.13274	9.4
151.11148	4.7
155.08574	3.3
155.10497	1.6
156.09322	3.3
157.10130	14.7
159.08034	3.0
159.11763	12.2
161.09584	4.8
161.13240	3.9
165.12741	2.5
167.08554	2.0
169.10095	4.7
170.10951	1.6
171.08087	1.8
171.11687	7.5
173.09735	3.5
173.13277	5.5
175.14760	1.6
176.19028	1.6
179.08543	5.0
181.10110	4.0
182.10851	2.8
183.11710	4.2
185.09642	3.0
187.11125	2.7
187.14809	4.6
189.12796	1.9
191.14409	1.7
193.04977	8.7
193.10158	4.6
194.10968	2.0
195.11758	6.5
195.13672	2.5
196.12366	2.2
197.13214	7.0
199.11237	2.4
199.14700	2.4
205.15866	2.4
207.11681	5.7
208.12547	2.0
209.13248	5.5
211.14799	2.6
215.14362	2.0
215.17960	14.1
217.19585	3.3
219.69659	1.7
221.13158	3.6
223.14818	6.5
225.12675	2.8
225.16302	4.0
233.13284	2.5
233.19069	13.1
235.15022	1.6
235.20561	13.8
237.16241	1.7
239.18028	2.0
241.15948	2.7
249.16414	4.2
251.14282	3.7
251.20062	10.5
267.17438	3.8
269.15274	4.8
279.20975	2.5
283.20886	1.7
297.22079	1.7
307.20215	3.5
307.23169	3.2
325.24103	72.7
325.76395	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	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
55.05511	7.4
57.03425	0.9
57.07077	0.8
61.92364	0.7
67.05506	7.3
68.85532	0.7
69.03421	1.0
69.07060	5.2
71.04986	1.0
71.08635	11.0
71.53722	1.0
76.04652	0.7
79.05488	4.0
79.67408	0.7
81.07073	6.0
81.36629	0.6
83.04987	1.6
83.08619	3.9
88.56668	0.7
91.05476	2.5
93.07060	4.3
95.04944	3.3
95.08607	3.1
97.06553	0.8
97.10178	5.3
99.08101	6.9
105.07033	2.1
107.04965	2.7
107.08622	3.5
109.06508	1.5
109.10198	1.4
117.06982	0.9
119.08627	1.3
121.06496	3.5
121.10177	1.1
123.08046	0.9
125.09630	6.5
130.35686	0.8
131.08556	1.3
133.10162	1.2
135.08055	1.9
135.11690	1.1
145.10120	1.2
149.09660	1.1
151.11189	1.4
159.11763	0.7
164.11957	1.4
165.12778	1.2
177.12712	1.8
200.96964	0.7
203.12782	3.1
218.21506	0.8
257.19052	1.3
275.20090	5.4
293.21121	100.0
294.21597	1.4
307.22687	14.3
307.26138	0.7
340.12338	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.4
53.61120	2.9
55.01867	10.7
55.05513	25.6
56.96560	3.7
57.03425	12.4
61.27071	3.3
67.05517	49.0
69.03423	5.8
69.07066	23.6
70.65247	10.6
71.04987	3.3
72.19710	3.3
79.05494	36.5
81.03425	7.3
81.07060	72.1
83.04964	8.6
83.08620	15.7
85.06522	6.1
91.05484	42.0
93.07052	39.3
95.04966	8.3
95.08614	44.3
97.06533	15.8
97.10184	10.1
98.97578	9.5
99.08089	4.2
105.07037	43.6
107.04961	5.4
107.08623	25.7
109.06522	10.9
109.10161	27.5
111.08099	5.2
116.98605	5.7
117.07042	13.7
118.48015	4.0
119.08579	35.9
121.06561	4.6
121.10143	23.8
123.08077	11.9
123.11730	8.7
125.09605	8.6
129.07040	5.2
131.08611	16.8
131.85760	3.5
133.10138	36.0
135.08076	8.6
135.11693	13.6
137.09605	5.9
139.59068	3.2
145.10168	18.9
147.11710	23.8
149.09653	12.4
149.13281	7.0
151.11211	5.8
157.10127	6.7
158.73061	3.4
159.11729	16.3
161.13286	8.3
163.11171	9.5
169.10150	4.0
171.11746	5.5
173.13275	9.4
175.11143	5.3
183.11638	3.7
229.19521	5.4
239.17966	9.7
247.20555	4.1
249.18465	5.6
257.19040	14.9
263.20163	16.5
265.11099	10.0
265.21677	6.1
275.20084	100.0
276.20511	4.7
283.12268	11.0
289.21701	32.0
293.21109	20.5
307.22614	15.0
311.22134	3.7
311.67523	3.8
325.13138	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	325.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.9
55.01870	14.8
55.05512	26.1
57.03435	8.7
67.05503	53.8
69.03430	29.8
69.07077	28.6
70.77708	5.9
71.04998	8.4
79.05490	37.1
81.03419	3.9
81.07061	100.0
83.04980	9.0
83.08620	22.7
84.94103	3.3
84.96925	3.1
85.06527	5.7
91.05488	39.0
93.00660	2.9
93.07053	42.4
95.04977	10.2
95.08616	41.5
97.06537	24.9
97.10175	5.7
105.07040	43.3
106.69624	2.9
107.05003	7.2
107.08598	31.6
109.06524	18.2
109.10162	27.3
111.08085	5.1
117.07014	10.4
119.08577	37.4
121.06490	6.6
121.10158	26.5
123.08056	11.1
123.11697	14.2
125.09621	7.9
129.07027	5.7
131.08568	14.8
133.10138	38.0
135.08070	8.2
135.11705	11.4
136.06747	3.0
137.09596	8.9
143.08670	3.5
145.10100	13.9
147.11722	23.9
147.47273	3.2
149.09630	16.2
149.13283	7.3
151.11188	13.3
157.10120	9.1
159.11696	10.4
161.09663	4.0
161.13222	5.2
163.11183	12.2
165.12761	11.3
173.13223	7.3
175.11197	8.0
177.12772	5.3
181.87959	3.1
189.16382	4.9
193.12206	4.1
195.13889	3.4
207.27158	3.2
229.19449	3.9
235.16960	28.9
239.18050	5.7
247.20488	8.8
257.18997	8.4
263.20065	38.3
269.91171	2.9
275.20093	78.0
289.21625	6.5
293.21057	12.8
295.22797	10.2
307.22672	11.7
325.23883	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2374
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
52.26507	2.7
53.85195	3.2
55.01883	18.7
55.05518	28.3
57.03442	5.3
57.07063	3.3
62.39157	2.7
66.80925	2.7
67.05513	52.4
69.03440	6.8
69.07075	31.6
70.42060	10.4
75.82621	3.0
77.72433	3.0
79.05489	34.8
79.05846	3.3
81.03444	3.0
81.06585	6.5
81.07064	100.0
83.05003	5.2
83.08636	16.8
85.02852	3.4
85.06554	4.9
88.02913	3.1
88.75118	2.7
91.05485	28.3
93.07050	34.4
95.04954	6.4
95.08620	37.4
97.06525	23.9
97.10197	4.1
98.20820	3.7
99.08120	4.5
105.07041	29.6
107.04955	5.1
107.08604	27.7
109.06522	16.6
109.10180	17.1
111.08104	8.3
117.07040	10.0
119.08590	28.8
121.06506	4.0
121.10178	22.1
123.08084	9.7
123.11732	6.5
125.09679	8.3
129.06967	6.0
131.08571	16.3
133.06474	2.7
133.10156	32.7
135.08147	2.9
135.11691	16.3
137.09639	6.0
139.11235	3.9
145.10123	16.1
147.11717	27.1
148.12059	3.7
149.09647	10.9
149.13237	7.0
151.11192	9.0
157.10136	6.5
159.11757	10.8
161.09650	3.4
161.13214	4.9
163.11194	11.0
165.12791	12.8
169.10170	3.0
171.11720	3.7
173.13246	5.8
175.11301	4.7
183.11810	3.1
185.13200	3.4
187.11110	3.6
189.52077	3.1
193.12276	3.9
197.13414	3.6
201.16420	4.2
235.16870	4.5
239.17914	8.4
247.20576	5.7
257.19153	9.5
263.20062	42.3
275.20071	67.6
289.21497	6.6
293.21170	13.4
295.22717	11.8
307.22745	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	325.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.4
53.04200	3.5
55.01868	7.9
55.05518	33.6
57.03432	5.3
57.07075	5.7
63.36922	3.2
67.05508	62.2
69.03429	28.6
69.07069	44.1
69.16527	5.7
69.16924	31.1
71.04983	6.7
73.06548	8.2
79.05495	39.2
81.03403	3.9
81.07059	70.8
83.04986	6.9
83.08625	20.1
85.06561	3.9
91.05492	34.0
93.07048	43.0
95.04973	14.9
95.08614	67.3
97.06522	12.5
97.10178	8.6
98.21638	6.3
99.08092	3.8
105.07033	36.0
107.04954	7.0
107.08607	37.4
109.06537	10.3
109.10169	46.2
111.08106	5.5
117.07026	10.2
119.08591	35.4
121.06502	7.3
121.10168	27.5
123.08060	11.3
123.11713	10.8
125.09624	8.5
129.07001	5.8
131.08546	14.0
131.28786	3.6
133.10118	35.4
135.08052	9.1
135.11699	16.9
136.41743	3.6
137.09636	9.7
143.08522	4.9
145.10130	22.5
145.62997	3.5
147.08096	3.1
147.11694	19.9
149.09586	20.8
149.13284	5.3
151.11203	10.4
157.10104	7.7
159.11703	13.1
161.13274	6.6
163.11227	8.2
165.12721	4.0
169.10199	4.2
171.11674	4.8
173.11816	5.8
173.13275	9.5
175.11140	5.4
177.12784	5.9
179.81604	3.4
193.12114	3.4
197.13261	3.4
205.12276	4.5
215.18088	6.0
229.19481	7.5
233.19031	3.9
235.16980	15.0
239.18129	7.3
247.20572	5.2
251.20073	5.3
257.19019	14.9
265.21606	13.4
267.19153	3.1
275.20068	100.0
276.20444	3.5
279.23230	7.4
289.21530	6.8
293.21066	33.2
307.22803	20.4
311.22144	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	325.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.01871	16.9
55.05513	34.7
57.03427	10.6
67.05511	92.6
69.03432	11.8
69.06783	2.9
69.07075	32.8
71.04986	12.1
71.30652	4.3
79.05502	51.7
81.03418	9.9
81.07060	84.5
83.04989	15.3
83.08640	17.8
85.06547	8.3
91.05488	51.4
93.07051	51.8
95.04981	21.5
95.08617	51.7
97.02893	4.3
97.06538	100.0
97.10170	26.7
99.08086	10.1
105.07040	46.2
107.04921	9.5
107.08608	46.7
109.06535	16.5
109.10160	61.9
111.04447	5.2
111.08080	12.2
113.06020	5.5
117.07014	14.9
119.08585	37.9
121.06537	4.7
121.10127	19.9
123.08098	14.0
123.11713	12.1
125.05963	3.6
125.09628	24.7
127.07552	3.5
129.06985	5.0
131.03441	2.7
131.08589	19.1
133.06438	3.2
133.10135	52.9
135.08043	11.3
135.11682	11.0
137.09607	8.6
139.11264	4.8
141.07050	2.9
143.08528	5.5
145.10130	23.7
147.08104	3.5
147.11668	19.9
149.09633	14.6
149.13235	5.4
151.07608	3.2
151.11191	21.5
153.09111	4.3
157.10178	5.9
159.08072	6.2
159.11694	20.2
161.09654	8.0
161.13255	8.3
163.11174	9.5
165.12766	3.1
169.10045	8.2
169.12323	4.3
171.11671	5.4
173.09543	3.2
173.11813	4.3
173.13254	7.3
175.11215	5.4
175.14822	3.6
177.12775	6.1
179.10698	3.1
183.11665	3.8
187.11130	4.6
189.11200	3.5
193.12259	5.0
197.13315	7.5
203.12778	11.4
205.12210	4.0
213.16362	3.0
221.11787	3.2
229.19533	5.2
238.19176	2.9
239.18057	4.9
249.18681	4.3
251.19966	3.5
257.19019	14.3
261.18335	3.8
265.21588	4.4
275.20065	74.4
289.17944	24.4
289.21558	16.0
293.21152	14.7
307.19073	19.1
307.22672	14.7
325.20480	9.2
325.23993	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	325.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.7
55.59211	0.4
56.05053	0.5
57.03434	0.8
65.03938	0.8
67.05498	0.6
68.05021	1.1
69.03435	1.7
69.07061	0.4
69.93757	1.6
70.06599	2.3
79.05505	1.2
80.05021	2.1
81.07057	1.6
82.06593	0.9
84.04502	2.2
84.08154	0.8
85.02909	4.4
86.06065	1.1
91.05487	10.1
93.07037	1.6
94.06583	3.4
95.08617	0.5
96.08093	0.5
97.02913	1.4
98.20799	0.4
102.05541	1.9
105.07029	1.0
107.08617	1.4
108.08124	10.4
109.10212	0.5
110.09744	0.9
114.05502	0.5
116.07098	0.8
118.22624	0.4
119.04951	25.3
120.08099	0.9
121.02838	0.7
122.09679	1.5
124.07581	0.5
127.03930	0.5
130.04048	0.8
130.05020	16.7
131.08447	0.5
134.09662	0.8
135.11714	1.0
137.05936	0.6
145.06502	1.2
147.04419	100.0
147.09206	1.6
148.04773	1.3
150.12819	3.1
152.14352	21.4
154.15927	0.7
163.03885	0.5
163.07579	1.0
165.05493	0.5
178.15953	0.7
189.02159	0.4
191.08202	1.6
192.13847	1.2
196.16992	6.2
204.13832	0.5
210.14967	0.8
210.56345	0.4
222.14960	1.3
224.16423	3.2
235.18016	0.9
236.16499	0.5
244.17166	0.6
254.17500	0.7
261.19699	0.7
262.17996	4.4
264.16013	3.3
271.18063	0.9
281.15213	1.2
281.18604	24.7
283.20364	0.5
289.19135	7.0
290.17526	2.7
295.83151	0.4
298.86151	0.4
307.20218	1.5
325.09280	1.7
325.14001	2.1
325.21252	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
54.03466	1.8
55.01859	1.2
55.05517	8.7
56.05048	1.3
57.03422	1.4
57.07090	1.8
58.56375	1.0
59.04995	2.5
67.05505	9.8
68.05036	1.0
69.07069	7.0
69.79860	5.9
70.02932	2.0
70.06571	3.7
70.15981	1.0
71.04986	3.2
72.04507	3.5
73.06180	1.8
73.06555	24.0
79.05067	1.6
79.05493	21.0
80.05012	1.2
81.03403	1.2
81.06591	1.3
81.07059	24.2
83.08598	2.4
84.08142	1.1
85.02898	1.2
86.06062	1.8
87.05593	5.0
91.05482	10.8
93.07047	29.1
94.06537	1.5
95.04947	1.3
95.08610	18.4
96.04492	4.6
97.02914	1.8
97.04013	7.9
97.06538	2.6
97.10159	1.5
98.02349	1.7
98.06040	1.1
98.09671	3.2
98.20757	1.8
99.00775	1.8
99.08085	3.0
105.07032	10.2
107.08598	21.2
108.08123	20.6
109.06474	2.1
109.08884	1.4
109.10145	4.7
110.09688	1.2
111.08088	4.9
113.07124	9.8
115.05042	1.1
115.08680	1.3
117.07028	1.6
119.08578	6.9
121.06552	1.8
121.08942	1.1
121.10098	2.6
122.09692	3.8
123.08101	2.7
123.10500	1.2
123.11673	1.6
124.11224	4.2
125.09676	5.4
131.08536	2.0
133.10126	5.0
135.08095	1.8
135.11696	19.8
136.11215	5.0
137.13240	6.1
139.11163	1.6
141.06583	1.8
142.05029	1.3
143.04518	24.8
145.10164	2.3
147.04416	4.8
147.11694	1.3
148.11221	1.5
149.13268	1.4
151.08725	2.0
151.11116	1.4
152.14334	1.5
158.54659	1.1
161.13261	8.6
162.94432	1.0
163.11226	1.4
166.08615	2.9
167.12001	1.2
167.14302	15.5
168.45477	1.0
169.06090	2.5
169.09943	1.0
169.15901	2.0
173.13161	1.2
176.14384	1.2
177.15140	1.4
178.15909	4.2
179.11766	10.9
180.13882	1.9
181.13426	1.6
190.15933	2.0
195.14958	1.3
196.32623	1.3
201.08702	1.3
206.08153	2.5
210.18541	3.9
223.10747	10.3
225.12318	5.3
234.14934	2.2
239.13942	4.1
249.19620	1.5
255.13449	2.4
266.17419	5.5
275.20169	1.7
276.15845	1.8
279.20682	1.4
281.22122	1.4
289.18054	1.6
293.18567	18.2
308.18744	1.8
325.21219	100.0
342.79001	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75191	0.5
53.03926	0.7
55.01874	0.7
55.05500	1.8
56.05030	1.2
57.03422	2.0
57.07084	0.7
61.02916	0.6
67.05494	1.9
68.05024	1.0
69.03410	2.4
69.07059	2.1
69.58006	1.4
69.58418	2.3
70.06583	2.0
71.04993	1.1
72.08155	0.8
75.49736	0.6
79.05496	4.6
80.05013	1.6
81.03406	1.4
81.07066	4.1
82.06567	1.2
83.04992	0.9
83.08637	1.1
84.04501	9.9
84.08121	1.9
85.02438	1.1
85.02907	15.9
86.06066	5.2
87.04475	0.9
91.05488	5.6
93.07038	10.1
94.06557	1.5
95.01321	1.4
95.04951	1.5
95.08598	1.7
96.08132	1.8
97.02875	1.5
98.06042	1.9
98.09705	0.8
100.19394	0.6
102.05542	6.7
103.05470	0.6
103.09531	0.6
105.07035	2.7
107.04960	1.3
107.07072	1.1
107.08579	2.7
108.08118	34.6
109.06473	0.7
109.10111	1.5
109.50394	0.6
110.09698	3.9
110.10363	0.7
112.03951	1.3
114.05520	1.1
115.05434	0.6
117.06971	0.8
119.04929	7.2
119.08569	2.1
119.99764	0.6
120.08115	0.7
121.06490	1.3
121.10135	3.0
122.06029	0.9
122.09666	2.5
123.08099	0.8
123.10435	1.4
124.07590	2.8
124.11217	1.1
127.03900	1.2
128.11552	0.6
130.05005	67.3
131.08536	0.8
133.02837	2.5
133.10124	2.2
134.09619	1.1
134.21333	0.6
135.04472	1.3
135.11711	5.2
136.07591	0.7
136.11229	0.8
137.05977	3.8
137.09691	0.7
138.05493	0.7
138.09102	1.2
140.07037	1.5
145.04976	0.8
145.10143	0.7
147.04410	22.3
147.11600	1.1
149.05959	0.8
149.09625	10.6
150.09108	0.9
150.12788	11.1
151.13567	1.8
152.14343	84.3
154.15903	2.6
159.07924	0.7
161.13205	0.8
163.03920	4.0
163.07561	1.3
164.07071	3.9
168.06635	0.7
175.03889	1.0
175.07516	1.0
175.11142	1.5
178.15932	2.5
186.11272	1.2
190.15970	0.8
191.08119	1.8
192.17377	0.7
193.04893	1.0
196.16969	30.6
201.05499	0.9
205.06557	0.8
210.18471	1.1
222.06773	0.6
233.05940	0.8
235.18028	3.3
261.19598	1.3
264.15952	12.8
265.08749	0.7
281.18600	70.6
283.20178	2.3
289.32053	0.7
292.07297	1.1
293.08005	0.9
307.09491	0.8
307.12863	1.1
307.19916	1.1
308.18484	3.8
312.86850	0.7
320.87305	0.6
325.06906	1.5
325.13483	2.2
325.21213	100.0
326.21439	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2009
Annotation	Hynapene A
Peak:m/z	Relative Intensity
55.01870	33.4
55.05267	5.8
55.05515	74.8
57.03444	36.4
59.05005	10.7
67.05187	4.0
67.05511	57.1
69.03426	7.4
69.07072	27.9
69.84103	18.5
71.04987	10.4
71.23702	3.9
74.31993	5.3
79.05067	5.0
79.05498	59.9
81.03422	27.1
81.07065	87.9
82.69856	4.2
83.01351	21.4
83.04989	51.4
83.08624	56.0
84.25494	4.0
85.02906	8.6
91.05480	40.3
93.07052	71.1
95.04971	21.9
95.08610	45.1
97.02877	8.1
97.06528	16.5
97.10184	39.0
98.21434	5.9
99.04456	5.2
99.08080	9.0
105.07060	26.5
107.04945	25.5
107.08600	53.6
109.06534	24.3
109.10167	29.2
111.04465	47.5
111.08096	23.7
117.06995	17.6
119.08573	45.9
121.06477	11.4
121.10153	29.6
121.10886	5.4
123.08044	27.5
125.09641	32.8
129.06883	6.9
131.08549	21.1
133.06505	8.9
133.10144	15.9
135.08081	20.4
135.11723	33.9
137.09627	14.4
143.08511	4.8
145.06520	7.6
145.10127	50.3
147.04395	16.4
147.07993	6.9
149.09621	13.9
151.07529	9.3
153.09203	6.3
153.12773	20.7
155.08530	6.9
159.08063	10.0
161.09657	8.7
163.07530	6.5
163.11200	83.6
171.11824	5.4
173.09647	28.3
181.12218	38.8
189.11229	18.6
191.10698	39.7
209.11743	100.0
225.16533	5.4
227.12794	79.8
233.15327	5.4
239.16505	9.3
243.17560	9.3
244.09790	6.3
261.18652	10.8
263.16449	36.5
271.16718	6.4
277.77051	4.4
280.99963	4.5
281.17569	12.2
283.06375	4.9
284.06497	23.4
289.18011	47.8
302.07678	5.5
307.19107	64.8
325.20313	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	325.2009
Annotation	Hynapene A
Peak:m/z	Relative Intensity
50.73346	3.2
53.03938	12.3
55.01873	38.2
55.05509	28.3
57.03440	37.7
65.09914	3.2
66.37787	2.9
67.05186	4.8
67.05505	69.7
69.07085	22.9
70.03239	10.7
71.01337	3.6
71.04971	4.8
79.05497	71.1
81.03425	15.3
81.07061	76.2
83.04990	31.5
83.08627	7.8
84.02095	4.8
85.06528	4.6
91.05486	78.9
93.06482	5.2
93.07040	62.1
95.04979	73.7
95.08607	39.5
97.02862	10.7
97.06522	10.0
97.10154	10.7
98.07306	8.5
98.20680	3.7
103.05489	6.5
105.07033	58.8
107.04958	95.8
107.08611	31.1
108.05752	7.2
109.06519	41.5
109.10155	22.5
111.04430	11.6
111.08079	8.6
112.05203	10.1
113.06007	4.9
115.05470	3.6
117.07027	35.3
119.04929	6.8
119.08575	39.1
120.05731	5.2
121.06493	21.2
121.10136	13.7
122.07278	32.9
123.04434	8.3
123.08037	10.3
123.11708	4.8
125.05987	5.3
128.06181	9.9
129.06996	13.9
131.08565	34.7
133.06499	28.8
133.10124	19.0
135.04382	3.0
135.08107	16.2
135.11664	12.0
137.09593	14.9
139.07565	3.7
141.06949	5.8
143.08572	10.9
145.06496	19.3
145.10143	16.7
147.08067	45.0
147.11690	7.1
149.06015	3.9
149.13301	3.7
151.07603	4.2
155.08551	7.3
157.10156	4.8
159.11707	13.3
161.09624	32.4
162.10368	5.7
163.11186	11.9
165.09157	11.5
169.10138	5.3
171.11682	8.4
173.13274	12.9
175.11258	4.9
177.12772	3.7
179.14311	3.6
187.11201	4.0
187.14799	15.4
189.12723	7.9
197.13235	10.5
203.14249	4.9
205.15828	13.3
215.14296	14.7
233.04816	3.6
233.15366	100.0
251.16466	33.3
273.18512	8.7
290.18710	27.3
291.19547	6.2
343.42227	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	325.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31231	0.2
55.01870	0.4
55.05508	1.2
56.05043	0.4
56.96556	0.6
57.03437	0.5
58.06595	0.8
62.45936	0.3
65.03910	0.2
68.05034	0.7
69.03442	1.3
70.04679	0.5
70.05070	0.5
70.06612	0.3
71.04984	0.3
72.08136	0.4
73.02914	0.5
81.03411	0.5
81.07049	0.3
82.02925	0.2
83.90453	0.2
84.08134	1.8
85.02906	2.3
89.61136	0.2
91.05478	2.0
94.06553	1.3
97.02900	1.4
97.07651	1.1
98.06049	1.6
98.21484	0.3
98.97578	1.5
99.04461	0.4
105.03429	0.3
109.02880	0.4
110.97553	0.7
112.07609	2.2
113.07127	1.0
116.98594	0.3
117.09148	0.4
119.04935	4.2
122.06004	0.7
125.07131	1.5
127.03971	1.1
127.04806	0.2
128.98599	0.3
130.08647	0.2
137.10742	3.3
138.05498	0.6
139.03915	0.4
140.07074	5.8
145.05022	0.5
145.07614	5.3
147.04414	14.7
148.04765	0.4
151.08670	2.4
158.08102	0.2
158.99675	0.6
160.07201	0.3
161.07404	0.3
162.05515	0.3
163.08659	2.9
165.10258	2.5
165.12646	0.3
166.11064	0.4
167.07031	0.3
167.11789	2.0
176.08101	0.5
177.05548	0.3
182.99484	0.3
183.11307	6.1
184.04918	0.5
193.09776	0.6
197.09209	0.3
204.08502	0.4
211.10780	100.0
212.11142	0.6
218.54375	0.2
218.56665	0.2
219.01860	0.6
224.10376	0.3
236.13936	0.3
237.02818	0.4
243.08107	0.3
250.15536	3.1
262.15674	0.3
268.16568	2.8
279.18176	0.3
307.17664	3.8
325.08920	1.1
325.14282	5.2
325.18677	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	324.2169
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
52.26028	0.4
55.01869	0.5
55.05510	1.5
57.05790	0.5
62.68179	0.4
67.05508	3.5
69.07072	9.7
70.64581	1.1
70.91683	0.5
71.04997	0.6
72.08146	0.4
79.05485	3.1
81.07055	7.8
83.04990	4.1
86.01495	0.4
86.09708	100.0
91.05481	8.0
93.07044	10.0
95.04991	2.3
95.08600	2.2
97.06556	0.5
97.10151	0.6
105.07034	12.3
107.04947	0.5
107.08593	3.0
109.06522	8.9
109.10166	1.4
111.08104	3.8
112.07680	0.5
117.06995	0.7
119.08580	4.8
121.06506	0.6
121.10132	0.7
123.08097	1.1
123.11718	0.9
128.10745	4.5
129.07053	0.7
131.08583	3.8
132.10208	28.9
133.06532	1.4
133.10136	17.1
147.08061	0.6
147.11696	12.4
147.12801	1.0
149.09625	1.3
149.13210	1.1
151.07599	3.0
151.11191	42.2
151.48047	0.5
156.10228	1.4
157.10156	0.9
165.12770	1.6
167.14317	0.6
175.11200	4.6
193.12198	3.9
218.11713	3.2
222.14944	1.1
260.20074	6.7
264.15924	0.6
269.84921	0.5
278.21158	29.0
278.54068	0.5
283.06296	0.7
306.20657	7.4
306.24152	0.8
324.21710	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	325.092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58178	0.2
53.91959	0.2
57.03427	0.2
58.38602	0.2
65.03937	0.6
67.12237	0.2
69.03416	0.6
69.71847	0.5
69.72260	0.8
85.02907	0.6
91.05489	9.7
94.06554	0.4
95.92985	0.2
97.02895	0.6
100.66062	0.2
108.08123	0.8
119.04954	26.2
125.02360	0.6
130.05014	1.3
145.06554	0.3
147.04420	100.0
148.04784	0.7
150.12877	0.3
152.14345	1.6
159.58130	0.3
163.07521	0.3
165.05484	0.4
191.08157	0.3
196.16974	0.5
224.16402	0.2
262.18060	0.3
281.15350	0.4
281.18542	2.1
289.19235	0.3
325.09390	1.2
325.13449	0.3
325.21271	3.7
325.24948	0.4
336.71304	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.8
53.12171	1.3
55.01884	1.9
55.05511	7.2
57.03442	16.8
57.07062	2.6
60.11372	1.6
61.02924	4.6
66.92258	1.6
67.05184	2.2
67.05509	23.0
69.03432	9.7
69.07067	9.1
69.26957	9.6
69.27378	4.5
70.06593	1.7
71.05001	16.3
72.08144	2.2
73.02914	2.2
81.03415	4.4
81.07066	9.0
83.08622	10.1
85.02910	48.4
93.07056	2.0
97.02882	8.5
105.07014	1.8
107.08591	1.9
109.02863	4.7
109.10167	97.2
115.03973	1.5
127.03962	8.9
127.11200	62.7
145.04961	7.4
145.12247	100.0
147.04424	2.5
147.08263	1.6
271.15201	1.9
325.10745	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	324.196
Annotation	Carbazoquinocin E
Peak:m/z	Relative Intensity
53.03957	0.6
55.05511	0.4
67.05503	0.3
69.07065	0.3
72.43458	0.2
74.97330	0.2
77.03939	0.3
79.05502	16.1
81.07042	0.3
89.37424	0.2
91.05473	0.8
93.07056	1.9
95.04980	0.9
103.05477	33.9
105.04513	0.3
105.07049	2.8
107.04967	19.4
118.06560	4.7
121.06499	1.5
131.04941	12.0
132.08102	1.9
133.08875	1.0
134.09679	0.5
146.09650	1.6
149.05986	0.6
160.11250	0.7
176.14362	47.9
189.15178	0.5
190.08701	0.3
193.12248	0.5
204.10196	0.2
218.11783	0.8
233.14243	0.8
266.12067	0.2
280.13165	0.4
283.06543	0.3
294.14896	0.3
301.07358	0.7
324.19595	100.0
325.19907	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
55.05501	2.0
57.03418	1.8
59.65440	0.8
61.02923	1.1
67.05511	10.4
69.03419	2.8
69.07083	6.2
69.68546	2.4
69.68953	3.0
70.05748	0.8
70.06238	0.9
70.06599	2.1
70.51500	0.9
70.97264	0.9
71.05000	5.6
72.08149	1.7
81.03418	1.0
81.07045	2.9
83.08623	11.4
84.04501	2.4
85.02911	9.7
91.05471	2.6
95.01337	1.0
97.02901	2.1
107.04958	1.5
109.02917	2.0
109.10163	76.9
110.07165	1.9
119.04932	3.1
120.05286	1.8
126.94815	1.0
127.03902	3.0
127.11200	55.4
130.04988	0.9
133.02870	1.2
137.05873	1.2
145.04984	2.2
145.12244	100.0
146.06003	1.2
147.04434	9.6
148.04741	7.6
162.06337	2.3
177.05470	2.1
178.05811	1.1
189.05324	1.2
190.05762	3.7
191.08179	4.4
195.06023	1.4
210.18575	1.2
215.11235	1.1
215.34151	1.0
217.05070	1.0
218.05234	4.7
264.05841	4.9
307.12845	1.2
324.18118	1.2
325.13788	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	324.108
Annotation	Indole-3-carboxylic acid beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
53.03939	0.3
61.02905	0.4
69.03442	1.1
70.06592	0.2
71.16504	0.1
71.16833	0.3
79.05460	0.2
81.03416	0.4
81.07074	0.2
85.02901	1.9
85.06554	0.2
91.05486	0.4
95.08652	0.1
97.02888	0.6
106.06527	0.7
109.02918	0.2
116.04988	1.1
119.04944	0.9
127.03918	0.5
127.07569	0.3
134.06041	0.3
136.07603	0.3
137.07957	0.2
140.17473	0.2
144.04460	0.3
145.05063	0.2
145.08589	0.4
147.04430	2.9
162.05516	100.0
163.03888	0.1
163.05872	0.7
164.08498	0.2
176.76584	0.1
186.04405	0.2
229.35123	0.1
270.13150	0.2
288.14322	0.2
306.15350	0.5
324.10834	1.9
330.03641	0.1
330.87808	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	324.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.01868	0.7
55.05491	1.0
55.93523	3.0
56.94310	6.0
67.05504	2.6
69.03413	1.1
69.07070	0.6
70.95873	6.3
71.92994	1.5
72.93402	0.8
72.93791	14.3
74.95337	0.7
79.05492	1.9
81.03435	3.5
81.07059	3.4
82.95839	1.4
83.04954	1.3
83.08623	0.7
88.96893	1.8
89.94037	1.0
90.94827	6.2
91.05473	1.6
93.07041	1.3
95.04961	0.9
98.09621	0.5
100.96906	1.0
102.94788	1.2
103.05449	1.5
104.96382	0.7
105.07034	1.8
107.95078	0.8
108.95895	0.7
112.96913	0.5
113.96395	1.5
116.96387	2.8
118.94283	1.4
119.08587	0.7
126.98445	3.3
128.96375	4.1
130.97882	2.5
132.95811	0.8
134.97438	0.9
134.98953	1.5
138.98425	3.8
140.96291	0.6
142.97925	1.6
144.95847	2.7
144.99478	1.9
146.97386	1.4
146.98941	0.7
147.04462	0.7
148.98930	1.2
150.97003	0.7
150.98392	1.5
151.02100	3.7
152.96346	1.1
153.00067	0.6
154.97910	4.9
156.99460	1.1
158.97414	1.1
159.00999	0.8
162.96870	0.9
164.99991	1.9
165.03638	6.0
166.97929	4.2
167.01541	0.7
168.99448	2.7
170.97418	2.0
171.01109	1.1
172.98973	2.4
176.14349	2.4
178.97847	2.6
179.01544	1.0
180.99463	1.5
182.97450	1.2
183.01010	1.6
184.98997	2.5
186.01268	2.0
187.00514	1.7
189.03600	2.9
192.99461	1.3
193.03151	1.6
193.12338	0.9
195.01140	1.2
196.99005	1.5
197.02707	0.6
199.00508	1.7
199.02061	3.7
201.01981	0.9
201.03648	1.0
202.99977	0.8
207.01028	0.6
209.02721	1.3
211.00514	1.1
213.02107	1.5
217.03204	1.3
218.11674	1.1
219.01146	0.8
219.04707	1.1
221.02496	0.8
223.00682	0.7
225.02086	0.9
227.03677	6.6
228.99138	0.6
231.00977	0.5
233.02809	0.7
235.04123	0.7
237.05772	1.7
239.03619	0.8
239.07477	0.6
241.05130	0.7
247.00710	0.6
247.04253	0.9
251.03583	0.6
253.05211	2.6
255.06842	2.4
263.03784	1.1
265.05237	14.3
281.04721	1.1
283.06284	100.0
284.06769	1.1
301.07355	26.3
306.07751	2.8
324.08902	8.8
324.19360	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.7
54.22794	4.9
54.30612	4.6
55.01875	46.2
55.05511	38.9
57.03445	27.8
57.07072	8.6
65.03948	5.5
67.05183	6.2
67.05513	89.7
69.03421	14.8
69.06742	5.2
69.07076	93.3
69.15807	31.6
69.16235	26.8
71.04979	12.9
71.08629	5.5
72.50294	4.9
79.05506	43.0
81.03405	12.0
81.07059	66.8
83.04976	17.1
83.08611	23.6
85.06543	28.4
86.62024	4.8
91.05476	55.1
93.07043	65.0
95.04983	44.7
95.08622	69.0
97.02890	17.0
97.06542	78.0
97.10155	15.8
105.07026	28.2
107.04939	12.0
107.08603	37.5
109.06535	36.7
109.10168	36.9
109.45510	5.0
111.04425	8.6
111.08084	10.3
113.06020	92.1
117.07037	13.6
119.08595	32.0
121.06473	6.8
121.10173	26.1
123.08065	21.8
123.11742	8.1
123.65785	4.8
125.09591	19.6
128.64845	5.3
129.06943	6.4
131.08557	16.1
133.06471	7.3
133.10135	30.7
135.08067	30.2
135.11700	18.7
137.09631	36.5
139.07506	6.7
143.08575	12.2
145.10118	17.3
147.08022	10.0
147.11772	6.7
149.09616	16.8
149.13290	10.0
151.11214	8.1
157.10136	9.5
158.25528	5.3
159.11665	5.8
161.09587	12.9
165.09114	6.1
171.11641	11.7
173.13287	6.8
175.11244	10.3
177.12863	6.4
185.13264	5.6
187.13419	6.0
194.64938	5.3
195.13803	16.8
203.10730	5.6
217.15906	7.2
221.11740	10.1
255.17470	6.6
263.19937	6.5
273.18484	48.7
291.19537	100.0
305.21075	17.6
323.22397	34.2
323.25760	7.4
334.40689	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.3
55.01877	16.5
55.05274	2.8
55.05515	39.3
57.03445	10.3
57.07074	3.8
59.04985	2.5
63.88140	1.2
65.03925	4.5
66.11317	1.6
67.05509	84.9
69.03431	8.2
69.07070	30.1
70.98315	1.9
71.04982	5.9
73.06551	1.8
77.03912	1.8
78.25348	1.1
79.05499	63.3
79.05968	3.0
81.03428	6.6
81.07063	97.1
83.01324	5.4
83.04985	24.2
83.08620	18.4
85.02891	2.1
85.06543	10.5
91.04896	2.2
91.05483	63.8
93.07050	73.3
95.04967	18.1
95.08611	42.8
97.02898	2.3
97.06538	13.0
97.10162	5.7
99.04481	1.6
99.08115	2.8
99.11387	1.3
105.03421	1.7
105.07036	62.5
107.04970	16.5
107.08603	60.6
109.02877	2.2
109.06519	17.0
109.10157	58.6
111.04456	7.9
111.08078	16.1
113.17200	1.5
115.05471	2.2
115.07603	2.0
117.07010	14.9
119.04929	2.4
119.08591	26.4
121.06508	19.0
121.10148	22.4
123.04440	6.0
123.08083	11.8
123.11721	18.2
125.05980	5.5
125.09634	4.0
127.07563	2.7
128.06232	2.0
129.07008	7.2
130.07790	2.0
131.04951	2.2
131.08577	24.7
133.05586	2.0
133.06496	17.1
133.10135	100.0
135.08061	9.2
135.11696	13.4
137.05984	4.9
137.09659	6.8
139.07558	13.6
141.06927	1.5
142.07784	2.5
143.08534	11.7
145.06448	2.5
145.10133	17.3
147.08047	17.0
147.11707	9.5
149.09627	18.0
149.13234	4.2
151.07555	2.2
151.11189	94.3
153.09085	1.9
153.12756	1.4
155.08519	1.8
157.06532	2.0
157.10121	9.1
159.08043	6.6
159.11705	7.6
161.09608	18.3
161.13261	6.0
163.11188	7.0
165.09120	4.3
165.12785	3.0
167.10669	3.6
171.08093	2.3
171.11702	8.8
173.09683	2.1
173.13235	2.2
175.11163	9.5
175.14740	2.7
177.09132	12.5
177.12764	3.8
179.10678	14.7
179.14334	3.0
181.08618	3.2
181.10057	1.6
181.12172	2.5
183.13828	34.3
185.13272	3.9
187.11212	3.8
188.55203	1.5
189.12775	7.9
190.53435	1.4
191.14394	2.1
193.12170	1.7
195.13745	2.4
199.11212	5.2
199.14815	1.7
201.12807	1.6
203.14355	5.3
207.13750	2.3
211.13168	3.1
213.12828	2.9
217.12231	4.0
217.15866	2.1
217.19591	1.7
219.13904	2.4
223.13356	3.3
227.18030	6.4
229.14296	5.5
237.16364	2.0
245.18974	18.2
249.18513	1.9
255.17430	6.1
263.20056	19.8
273.18503	60.1
277.21606	2.5
291.19553	100.0
305.21115	21.4
323.22180	51.6
346.33737	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89217	1.7
53.03946	3.9
55.01877	11.9
55.05273	2.8
55.05516	32.6
57.03439	8.6
57.07061	2.1
59.20541	2.1
63.47950	1.8
65.03929	3.9
65.56844	1.8
67.05512	66.7
69.03423	7.1
69.07072	18.8
69.37526	5.4
69.37936	10.1
71.05000	3.8
79.05070	2.8
79.05500	45.2
81.03416	2.8
81.06593	4.3
81.07063	78.1
83.01337	2.2
83.04984	22.6
83.08633	12.6
85.06537	7.6
87.39601	2.1
91.05490	57.3
93.06483	4.1
93.07050	56.8
95.04964	13.5
95.08611	31.9
97.06539	9.7
97.10169	4.7
98.21519	3.5
103.05511	2.4
105.07037	58.5
107.04985	12.3
107.08610	53.3
109.06528	10.7
109.10160	47.6
111.04429	7.2
111.07335	2.4
111.08067	9.9
117.06994	10.4
119.08582	16.6
121.06503	15.0
121.10139	12.0
123.04427	2.5
123.08032	7.4
123.11710	16.7
123.47294	1.8
125.05952	3.4
125.09584	3.5
129.07005	5.9
131.08582	20.3
133.06508	11.9
133.10135	100.0
135.08037	8.0
135.11699	12.1
137.05952	2.4
137.09628	4.2
139.07526	5.8
143.08514	5.2
145.10150	11.3
147.08063	9.0
147.11671	9.7
149.09647	14.5
151.11195	92.4
156.09143	1.7
157.10088	5.6
159.08031	5.7
159.11691	5.1
161.09656	10.7
161.13222	4.9
163.11176	4.8
165.09109	2.0
171.11668	4.9
175.11177	5.6
177.09082	14.0
179.10709	14.5
183.13815	35.4
185.13272	3.0
189.12752	3.4
193.12204	2.2
199.11266	3.9
203.14349	2.3
207.13828	3.4
211.13362	4.8
213.12679	3.0
217.12224	3.6
219.13638	2.8
227.17838	1.9
229.14319	6.3
245.19084	12.8
247.21118	2.0
255.17397	5.1
263.20105	13.7
273.18518	49.3
291.19543	55.7
305.21155	25.6
323.22226	38.8
323.25864	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	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52563	0.8
53.49107	0.7
55.01879	4.5
55.05515	22.6
56.78717	0.8
57.03445	0.9
57.07069	0.7
62.06095	6.8
67.05508	12.6
69.03443	4.6
69.06738	1.1
69.07075	13.1
69.24544	4.1
69.24968	2.5
79.05498	12.9
81.03402	2.2
81.06593	0.9
81.07063	12.6
83.04993	2.0
83.08624	7.8
87.70203	0.8
91.05485	8.8
93.07047	11.0
94.88224	0.7
95.04963	4.7
95.08613	6.7
97.02882	3.1
97.06512	1.3
97.10175	16.6
105.07019	6.0
107.04945	2.9
107.08599	11.5
109.06547	1.2
109.10148	2.9
111.08070	1.6
116.06195	0.7
117.07030	3.1
119.04890	0.9
119.08584	6.4
121.06533	1.9
121.10169	3.4
123.08088	4.0
125.09633	14.3
129.07010	1.7
130.07791	0.8
131.08553	4.6
133.06497	2.4
133.10120	2.2
135.08029	4.2
135.11679	1.1
137.09615	1.6
143.08456	1.0
145.10155	4.2
147.08064	3.1
147.11700	1.4
149.09601	1.0
153.09114	2.1
157.10120	1.9
157.12199	0.8
159.11676	1.7
161.09660	1.9
163.11156	1.5
165.09134	1.4
171.11678	1.4
175.11147	1.8
185.09483	0.7
185.13208	0.8
203.12831	7.1
205.12230	1.4
221.11812	1.3
223.13306	12.2
227.17993	0.8
237.14796	2.0
245.19067	1.7
249.14781	1.2
255.17369	1.3
273.18430	8.0
291.19550	100.0
292.19702	1.3
305.21115	19.2
323.22147	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50235	0.9
53.03945	1.7
55.01881	4.7
55.05267	1.8
55.05514	22.1
57.03444	2.4
67.05506	13.6
69.03431	5.5
69.07070	17.8
69.28740	5.5
69.29144	2.4
79.05500	14.9
81.03419	2.6
81.07065	15.3
83.04991	2.0
83.08624	11.4
83.93970	1.0
91.05475	8.7
91.81719	0.8
93.07059	11.6
95.04987	5.6
95.08608	7.7
97.02892	2.7
97.06551	2.6
97.10175	21.7
98.21468	1.4
105.07024	9.7
107.04977	4.3
107.08603	11.5
109.06509	2.1
109.10168	4.8
111.08060	2.0
117.07018	4.0
119.08599	6.6
121.06532	1.5
121.10154	4.3
123.08047	7.2
125.08765	1.6
125.09643	20.6
127.16916	0.9
128.56757	0.9
129.07050	1.7
130.07788	1.0
131.08525	4.9
133.06519	2.8
133.10138	3.7
135.08058	5.9
135.11702	1.4
137.09666	1.9
143.08594	2.3
145.10110	4.1
147.08073	4.5
147.11679	2.2
153.09129	2.6
157.10088	2.1
157.12206	1.6
159.11607	2.1
161.09547	1.5
163.11227	2.1
165.09082	2.1
173.13213	1.1
175.11234	2.6
176.45860	1.0
189.11308	1.2
193.12222	1.7
203.12799	13.5
205.12299	1.3
221.11824	1.4
223.13309	11.6
225.14905	1.7
237.14781	1.4
249.14952	1.6
255.17419	2.0
273.18491	13.5
291.19553	100.0
292.20023	1.4
305.21136	21.1
323.22092	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	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.5
55.01874	34.2
55.05514	25.7
57.03437	19.4
57.07055	3.4
65.03951	4.9
67.05511	95.6
69.03426	9.6
69.07073	37.1
69.86163	10.8
70.62064	2.4
71.01341	3.6
71.04990	6.2
79.05495	49.8
81.03417	16.2
81.07063	59.4
83.04988	14.3
83.08615	10.9
85.06525	13.5
88.93065	2.2
88.93684	2.1
91.05485	47.2
93.07045	53.6
95.04973	100.0
95.08617	39.0
97.02909	6.1
97.06541	34.1
97.10175	10.3
99.08141	2.5
103.05463	3.4
105.07030	31.5
107.04962	13.0
107.08596	30.7
107.43150	2.2
109.02891	2.5
109.06524	48.6
109.10151	18.5
111.04453	4.3
111.08074	8.7
113.06020	25.7
116.42197	2.2
117.07018	14.9
119.08587	18.5
121.06512	9.5
121.10126	13.3
123.08055	13.0
123.11698	5.7
125.05988	2.7
125.09657	6.2
128.06224	2.5
129.07010	7.2
131.08566	21.2
132.11835	2.7
133.06512	6.7
133.10132	18.4
135.08064	36.3
135.11700	14.6
137.05994	5.0
137.09624	20.4
139.07578	6.1
143.08539	14.7
145.10114	12.5
147.08054	9.7
147.11708	8.8
149.09621	13.9
149.13252	6.4
151.07491	2.6
151.11136	5.7
153.09108	3.3
157.10167	9.3
159.08095	3.2
159.11690	10.3
161.09645	11.5
161.13202	3.7
163.11198	8.3
163.89096	2.4
171.11731	8.2
173.78946	3.1
175.11261	6.8
177.12807	10.9
179.10628	3.5
185.09578	3.1
185.13367	3.9
187.11293	3.9
190.79604	2.3
195.13814	5.7
199.14890	3.9
201.12714	2.9
217.15894	9.1
221.11806	4.8
221.15376	12.9
227.17967	4.3
237.16612	2.5
245.19016	4.6
255.17554	3.5
255.54320	2.3
263.20114	5.8
273.18518	55.0
291.19562	47.8
305.21161	29.4
323.22250	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	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01875	3.9
55.05520	3.6
57.03442	27.2
57.07075	1.2
65.03944	1.4
67.05511	22.1
69.03434	0.9
69.07067	1.9
69.78341	2.7
71.05006	3.3
79.05502	8.9
81.03412	1.0
81.07067	9.7
83.04971	0.7
83.08634	1.2
85.06553	25.4
87.76130	0.4
91.05487	7.6
93.07059	7.3
95.04981	39.9
95.08623	4.9
97.06516	1.6
99.08102	0.7
99.18721	0.4
105.07042	6.2
107.04988	2.2
107.08611	6.3
109.06532	25.6
109.10175	1.5
111.08096	1.5
111.66972	0.4
113.06018	100.0
115.05502	0.5
117.07040	4.1
119.08585	3.7
121.06512	2.2
121.10164	2.6
123.08098	1.0
125.62367	0.4
129.07039	3.1
131.08575	6.2
133.10139	3.1
135.08075	22.7
135.11670	2.5
137.09631	0.7
141.06985	0.7
143.08583	2.5
145.10126	4.2
147.08078	2.6
147.11697	0.8
149.09656	3.0
149.13263	1.0
151.11174	0.9
154.92163	0.4
155.08540	0.5
157.10133	2.4
159.08107	1.4
159.11720	2.2
161.09644	2.9
163.11192	1.9
169.10222	0.6
171.11713	1.4
173.13313	1.5
175.11226	1.6
177.12801	1.8
181.10159	0.6
183.11700	0.7
185.09724	0.5
185.13263	1.0
187.11232	0.8
187.14764	0.4
189.16414	0.6
195.11766	0.6
195.13910	0.9
199.11301	0.5
199.14915	1.5
201.12817	1.2
205.96423	0.4
217.15916	7.4
219.13785	1.0
227.18011	0.6
233.15411	1.0
237.16438	0.6
245.19034	0.8
255.17487	1.5
273.18521	14.3
291.19562	38.5
292.19885	0.5
305.21133	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	323.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78402	3.0
71.08878	5.8
72.25462	3.4
95.28585	3.2
168.71938	3.7
189.83235	3.0
191.07100	3.2
210.89545	3.5
269.61816	3.4
323.07407	100.0
349.82590	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	323.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01876	0.8
55.05515	2.5
57.07083	1.1
67.05508	3.2
69.03114	0.5
69.03421	2.7
69.07072	6.1
70.06590	0.6
70.07806	2.1
71.04990	1.6
74.02435	1.7
79.05492	4.5
80.05009	0.8
81.05802	1.6
81.07062	9.2
83.04972	1.0
83.08621	2.3
84.04526	1.0
84.08154	1.0
85.02927	0.7
85.06549	2.9
86.09727	0.6
91.05476	3.0
92.05808	0.7
93.07060	4.4
94.06579	0.8
95.04971	1.3
95.08614	2.9
96.07565	0.7
96.08139	8.3
97.02898	0.7
97.06532	1.0
97.10198	0.7
104.24348	0.5
105.07026	2.8
106.06548	1.7
106.07347	1.0
107.04982	0.6
107.08601	2.1
108.08089	0.7
109.06522	0.9
109.10158	2.7
111.08064	3.1
113.85078	0.5
119.08560	1.4
121.06503	0.6
121.10171	1.9
122.06033	1.3
123.07963	0.5
123.11710	2.2
124.07594	30.0
125.09615	0.8
125.13274	0.7
126.05519	0.6
133.06448	0.7
133.10133	1.5
135.11661	1.4
136.07582	57.2
137.05975	3.6
138.09116	1.6
139.11238	0.9
140.07077	1.2
143.14305	1.2
145.10158	0.8
146.06039	1.2
147.04417	0.7
147.07994	0.8
147.11693	1.5
148.08432	0.8
148.12059	1.1
149.13301	0.9
151.11128	0.8
155.08147	1.2
159.11694	0.8
161.05977	3.6
163.11194	0.6
164.07074	100.0
165.07452	0.8
165.12799	1.5
174.05431	0.7
175.11154	0.9
176.11563	1.5
182.08138	83.0
194.12621	1.1
202.07716	0.7
203.08601	1.3
203.30594	0.6
220.09041	0.7
231.08020	2.3
248.08331	1.1
248.16887	0.6
255.50941	0.7
259.07434	1.4
260.08264	1.0
263.10687	1.1
276.07907	0.9
291.10193	3.0
305.14886	0.8
305.24612	1.6
306.13480	0.7
308.10358	0.6
323.09009	1.9
323.12720	5.1
323.15860	1.4
323.25772	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2014
Annotation	Croomine
Peak:m/z	Relative Intensity
50.98478	0.3
53.03950	0.3
55.05498	1.4
55.30405	0.3
55.56622	0.3
56.05027	0.7
65.03909	0.5
67.05505	6.3
67.36993	0.3
68.05035	2.9
69.07065	1.2
70.06595	8.7
70.14694	0.3
71.04994	0.6
71.52627	0.3
74.02394	0.3
76.02227	0.8
79.05506	3.9
80.05023	1.0
81.07062	4.8
82.06580	0.6
83.04990	0.4
83.08625	0.7
84.04533	0.4
85.06528	0.4
91.05498	2.6
93.05781	0.7
93.07052	3.0
94.06566	1.3
95.04953	1.0
95.08615	2.4
97.06483	0.4
97.10177	0.4
100.07632	2.2
105.07036	1.6
105.93759	0.4
106.06560	3.1
107.07357	0.5
107.08589	1.5
108.08134	2.1
108.08755	0.3
109.06538	0.6
109.10157	1.0
112.07492	0.4
114.05538	3.9
116.07116	0.4
117.07036	0.9
118.06563	1.1
119.07268	0.5
119.08598	1.0
120.08109	3.6
121.10162	1.1
122.09686	1.1
125.97290	0.3
128.07098	2.3
131.08569	1.2
132.08078	0.8
133.08870	1.1
133.10162	0.5
134.09660	7.5
134.10658	0.6
135.08060	0.5
135.10452	1.4
136.11243	0.6
137.04713	0.5
140.07123	0.4
145.10143	0.4
146.09673	1.0
147.04446	0.4
147.11702	0.4
148.11227	8.6
152.07124	0.7
154.08636	0.7
158.02728	0.7
164.07083	7.4
165.07878	0.4
166.08624	0.9
173.55881	0.4
178.08629	2.3
179.09416	0.9
180.08609	0.8
180.10204	15.0
192.10176	0.5
193.06439	0.6
194.08139	0.8
194.11748	0.8
230.19107	0.5
243.51125	0.3
258.18478	2.2
276.19583	8.6
280.63556	0.4
291.51511	0.4
302.17419	1.3
304.19077	17.5
322.20139	100.0
323.20486	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	0.8
55.01883	0.9
55.05514	3.2
56.55627	0.6
56.96563	0.5
57.07075	2.4
60.04538	1.4
62.06092	100.0
65.03954	0.8
65.64561	0.6
67.05508	15.6
69.07085	3.1
71.54544	0.7
73.53094	0.5
76.02227	0.8
79.05500	11.2
80.05849	0.6
81.07059	17.9
81.07525	1.2
83.04987	0.6
83.08626	2.0
91.05477	4.7
93.07047	15.5
95.05006	0.8
95.08613	14.3
98.06022	0.9
105.07020	3.7
107.08601	8.4
109.06555	0.6
109.10168	5.7
111.08104	0.7
117.07020	1.7
119.08589	2.2
121.10159	7.3
123.11721	2.2
130.08612	0.6
131.08571	2.8
133.10167	2.0
135.11705	4.4
137.13277	0.7
140.03787	2.0
144.10226	1.0
145.10150	1.9
147.11696	1.3
149.13307	2.6
151.14870	1.1
158.02693	0.6
158.11804	0.9
159.11745	1.3
163.14838	2.3
172.13338	1.4
173.13371	1.7
177.16405	2.7
186.14995	1.0
187.14917	1.0
193.06467	0.9
200.16528	1.3
229.07553	1.6
230.07947	0.9
240.19745	0.7
243.21126	5.1
247.08569	1.0
261.22144	6.1
269.10480	0.7
270.10788	0.9
304.26462	2.2
305.24649	2.8
322.24683	1.7
322.27509	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	322.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
55.05499	0.7
58.99579	0.5
63.56493	0.2
65.03915	0.2
67.04226	0.3
67.05499	0.3
69.03440	0.3
69.67305	1.2
70.06586	0.5
72.08158	0.2
76.02230	2.6
81.31329	0.2
82.06583	18.3
83.07333	0.5
84.04506	1.6
84.08168	0.3
85.02900	0.3
88.02206	0.2
90.05566	1.4
91.05489	0.3
97.06522	0.2
100.07617	4.8
104.01698	0.3
107.08631	0.2
116.01678	0.8
120.08089	0.9
128.07083	100.0
130.05025	0.3
137.05986	0.4
142.03273	0.5
148.20226	0.2
153.05389	0.4
154.05794	0.3
154.97981	0.2
158.02704	2.3
175.05382	0.3
176.03790	1.1
177.10338	0.3
185.60449	0.2
193.04816	0.3
193.06421	2.9
194.05321	0.3
215.04909	0.2
233.06041	0.7
249.90720	0.2
255.08658	0.4
322.10687	0.3
322.16470	2.4
322.28607	0.2
342.23422	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	322.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76023	1.3
53.03933	2.0
55.01866	4.0
55.05505	4.8
57.03426	5.9
67.05492	5.8
69.03436	6.0
69.07061	7.8
71.01365	1.6
71.04989	1.3
71.33080	2.9
79.05060	2.0
79.05492	19.3
81.07056	29.6
82.19846	1.5
83.04984	3.2
85.02900	7.5
85.06561	1.8
91.05505	9.3
91.37536	1.4
93.07062	7.1
93.50556	1.4
95.01340	11.6
95.04962	5.7
95.08589	4.4
97.02910	3.2
97.06531	16.9
105.07024	5.6
107.04944	4.3
107.08582	4.7
109.02850	1.5
109.06525	21.0
109.10175	2.1
111.04417	2.6
111.08116	3.3
113.02386	1.5
117.07023	2.6
119.04971	3.0
119.08588	7.2
121.06492	3.2
123.04504	2.3
123.08073	2.7
125.05996	3.3
129.06987	2.8
131.08571	3.4
133.06482	2.5
135.08025	3.2
137.05972	4.1
137.09508	1.7
139.03902	6.1
139.07503	1.6
141.01810	2.9
141.05482	2.4
145.06523	1.4
147.08058	9.0
147.76228	1.5
149.05934	1.8
151.07574	2.9
155.07034	3.4
161.05969	1.9
163.07544	5.1
165.09131	17.7
175.07600	3.3
181.08621	5.6
183.10201	3.0
191.07042	3.5
193.08633	22.4
197.04431	5.0
199.09700	6.8
209.08113	8.4
211.09634	11.7
227.09172	5.5
237.07578	5.6
255.08640	100.0
273.09677	6.1
290.09354	1.5
290.12299	6.3
322.14679	1.6
322.20206	4.4
322.24481	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57270	1.1
55.01862	5.1
55.05507	5.3
57.03416	4.8
67.05511	7.2
69.03436	8.1
69.07060	4.5
69.40689	9.3
71.01366	1.5
74.02454	2.3
74.97213	1.2
79.05498	15.5
81.03412	1.3
81.07070	25.4
83.04961	2.3
85.02914	6.0
91.05484	9.4
93.07076	7.3
93.07549	1.3
95.01347	9.4
95.04964	7.7
95.08602	3.7
96.58115	1.1
97.02901	1.7
97.06533	12.6
100.07619	1.4
105.07059	7.3
107.04977	6.6
107.08593	4.1
109.06542	13.4
109.10104	2.6
111.04423	2.5
111.08108	1.5
113.02386	2.9
117.07041	3.1
119.04950	3.4
119.08615	8.8
121.02882	1.5
121.06508	5.0
122.10500	1.4
123.04450	3.4
123.08050	1.8
124.07553	1.4
125.06045	2.8
129.06999	2.5
130.08623	4.2
131.08574	4.2
133.06535	2.1
133.10107	1.9
135.08063	3.6
137.05992	7.2
137.09656	1.4
139.03954	6.1
139.07536	3.4
141.01810	2.0
141.05449	2.0
146.08139	1.7
147.08046	9.6
147.11690	3.9
149.05969	5.4
151.03923	1.3
151.07523	1.7
151.11195	5.5
155.07050	2.2
159.02855	1.8
163.07539	8.8
165.07797	1.6
165.09135	17.8
167.07047	2.7
169.72771	1.7
175.07610	2.5
175.11189	1.9
177.03958	1.4
177.05511	1.6
181.08597	4.9
183.10130	6.2
191.07034	5.3
193.08633	15.4
193.12265	2.5
197.04536	6.9
209.08131	8.4
211.09636	16.8
212.18658	1.2
213.07562	2.2
219.06415	1.5
225.07498	2.4
227.09163	5.1
237.07652	6.3
244.89026	1.1
255.08678	100.0
273.09702	23.7
290.12329	4.4
322.14865	4.8
322.20273	3.1
322.24255	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80702	1.8
55.01865	5.1
55.05507	4.6
57.03431	2.8
63.53222	1.4
67.05500	3.6
69.03426	7.2
69.07063	3.6
70.56137	4.6
71.01393	1.6
79.05503	14.9
81.07065	24.8
85.02902	5.9
85.61967	1.4
91.05484	6.8
93.07036	6.2
95.01339	10.2
95.04985	4.9
95.08600	2.2
97.02934	1.7
97.06523	13.3
97.27401	1.6
105.07020	2.4
107.04967	3.3
107.08585	1.8
109.06532	13.2
109.10150	1.8
111.08051	2.8
113.02392	2.4
117.07014	3.0
119.04987	2.9
119.08580	6.4
121.06496	3.4
125.05977	3.6
129.06969	2.6
135.08055	4.6
137.05960	5.8
139.03934	7.4
139.07530	2.9
141.01866	1.8
141.05411	1.9
145.06493	2.4
147.08044	8.5
149.05994	4.3
151.07449	2.5
155.07033	1.8
163.07515	8.6
165.09120	17.0
167.07065	3.6
175.07535	3.9
177.04037	1.4
181.08638	6.8
183.10194	5.0
190.05566	1.4
191.07071	4.2
193.08606	17.2
197.04443	4.6
199.09720	8.5
204.97787	1.6
209.08080	11.7
211.09692	13.7
219.06451	3.2
225.07603	2.6
227.09192	6.5
227.95786	1.7
237.07579	7.6
240.88751	1.8
255.08661	100.0
262.68100	1.6
269.10074	2.0
273.09583	12.6
322.14703	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01863	0.8
55.05268	0.7
55.05514	9.6
56.05016	0.7
57.03453	2.9
61.02918	1.6
69.03445	5.0
70.06583	1.0
70.69827	1.1
70.70167	0.8
71.01340	2.5
71.04970	0.7
72.08138	0.5
73.02927	1.1
82.06588	20.9
84.08148	25.5
85.02916	8.5
91.03949	0.8
97.02905	3.4
100.07612	2.0
100.11252	0.8
101.02395	0.7
105.18635	0.4
109.02876	0.8
110.06052	37.9
111.35513	0.4
114.09180	27.0
120.08134	0.9
127.03973	0.9
127.06364	0.6
128.07039	0.6
142.08647	33.2
142.12341	0.6
144.10219	4.1
145.04956	1.5
154.05934	0.6
160.09706	100.0
193.06567	0.7
195.06456	0.9
272.39682	0.6
298.80637	0.5
322.15039	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	322.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.3
55.01881	0.9
57.03447	1.1
58.99595	1.1
60.04526	1.1
61.02925	3.7
65.68127	0.5
67.05515	0.8
69.03436	8.6
69.07085	1.0
69.07477	0.5
69.99850	2.7
70.06594	1.0
70.76847	0.6
70.99575	8.0
71.04994	1.6
72.04507	0.7
73.02930	1.9
76.02232	5.8
79.05518	0.9
81.03416	4.3
81.07070	0.8
82.67264	0.5
84.04509	2.7
85.02911	22.7
86.09663	0.5
87.04486	0.9
90.05565	3.6
91.03967	0.7
97.02898	7.2
98.00646	28.1
98.21416	0.8
98.97582	1.4
99.04467	1.4
104.01695	0.7
105.07055	2.4
109.02903	2.5
109.77203	0.6
114.09192	0.7
115.07542	0.8
116.01695	10.4
121.82955	0.6
123.08083	2.2
124.02188	21.5
127.03951	5.2
130.05011	1.8
130.30234	0.6
133.06491	0.9
139.03940	1.6
142.03232	85.6
142.08643	2.2
143.03564	0.6
143.07068	2.2
144.06583	0.7
145.04961	4.6
147.04482	0.9
158.02708	6.2
160.04291	100.0
160.07584	1.8
160.09703	1.7
167.07201	0.6
174.03830	0.6
175.05397	1.0
176.03819	2.8
177.05565	0.7
183.10199	1.2
184.09814	0.6
193.04771	1.0
193.06424	7.6
208.38245	0.6
233.06076	1.3
251.40245	0.5
265.23563	0.6
304.12283	0.7
322.06406	0.6
322.09689	2.6
322.12677	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.9931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	2.7
71.51564	0.9
72.08154	1.1
94.93002	1.4
97.02890	0.7
98.97581	5.3
101.00894	1.7
102.00981	2.0
116.98620	2.2
118.69801	0.5
119.01925	1.1
120.02018	1.7
128.02473	0.7
143.01985	0.6
144.02055	1.7
145.03429	1.0
146.03558	1.0
155.56749	0.5
158.99867	1.1
161.02966	0.9
162.03143	1.5
171.01318	0.5
172.01537	1.0
177.00975	8.0
182.99753	3.0
189.02480	1.4
190.02646	2.5
190.89107	2.3
201.00945	9.6
202.02644	0.7
202.45868	0.5
214.92084	0.8
216.98642	0.6
218.98512	2.7
219.02026	100.0
220.02107	1.6
234.05061	1.2
234.99718	0.9
236.99570	2.9
238.92006	0.7
238.95364	2.7
242.03586	5.4
256.93497	1.2
256.96896	7.3
262.04761	1.5
274.94186	3.1
274.97681	1.9
279.98196	1.6
280.05969	0.7
280.96786	1.9
289.49649	0.9
289.99423	0.6
292.95316	0.7
295.93018	0.7
298.97711	42.4
299.97647	0.5
316.95444	1.3
316.99075	0.6
317.42978	0.6
321.99252	4.9
322.19916	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2063
Annotation	Smardaesidin F
Peak:m/z	Relative Intensity
55.05507	9.3
55.08360	2.0
57.07068	5.3
59.05016	3.9
63.69201	2.0
67.05504	16.9
69.07072	14.4
69.14520	2.0
71.05001	5.2
71.53140	2.2
73.02893	3.0
79.05493	9.0
81.07075	26.0
83.04969	8.1
83.08611	5.1
85.06548	5.6
91.05496	13.6
93.07069	21.1
95.04976	15.8
95.08616	32.7
97.06541	10.1
97.10183	2.5
99.08113	2.1
105.07048	18.9
107.04994	3.9
107.08607	16.2
109.06500	13.0
109.10162	12.3
117.07001	4.4
119.08584	19.2
121.06496	5.7
121.10147	15.8
123.08086	49.2
123.11726	6.6
125.09657	2.6
129.06979	3.1
131.08527	8.0
133.06508	2.8
133.10146	12.6
135.08061	9.8
135.11708	8.0
137.05983	4.4
137.09627	5.3
139.11137	3.0
141.09096	3.5
142.07803	3.7
145.10138	11.5
147.08003	4.5
147.11684	6.6
149.09599	7.3
149.13260	3.6
151.07559	100.0
151.11150	2.7
153.11115	2.4
155.10623	3.2
157.10083	4.6
159.08028	3.1
159.11690	9.6
161.09627	6.0
161.13289	3.0
163.11191	4.5
165.09097	5.0
165.92912	2.2
167.79553	2.1
171.11668	4.5
173.13293	3.9
175.11214	8.7
177.09045	2.9
179.10693	4.5
189.12758	27.7
192.11450	3.5
193.06435	2.6
197.11768	4.9
201.12682	2.4
207.13823	71.1
208.59032	2.1
209.13403	2.3
211.14809	2.2
213.16478	2.5
215.14157	3.1
223.18896	5.0
227.14326	2.7
229.12271	3.7
229.15805	2.6
233.15385	3.7
245.15474	2.5
247.13326	3.5
285.18661	4.8
303.19559	9.5
303.23322	6.3
304.16516	11.5
321.17404	4.9
321.20737	65.3
321.24301	4.7
321.26205	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	321.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	9.8
55.05515	30.4
57.03442	77.4
60.15455	2.6
67.05170	4.5
67.05511	47.2
69.03431	3.1
69.07087	18.7
70.12634	4.6
70.13010	6.3
72.76717	2.5
79.05494	31.9
81.03406	2.9
81.07063	37.1
83.04988	62.3
83.08610	8.2
85.06544	7.9
86.98257	3.2
90.32567	2.3
91.05489	43.3
93.07048	40.4
95.04971	9.2
95.08617	29.8
97.06554	6.8
97.10188	4.1
98.20699	2.4
99.04481	9.6
103.01793	2.4
105.07037	30.7
107.04969	66.8
107.08601	20.6
108.05741	3.5
109.06546	29.3
109.10168	12.3
111.04447	32.6
111.08127	5.9
113.05984	5.3
115.05494	4.8
117.07013	23.2
119.08593	23.4
121.06525	15.3
121.10142	11.7
123.04415	3.7
123.08071	38.4
125.06010	10.7
128.06252	3.7
129.07001	12.3
131.08582	26.0
133.06516	14.3
133.10146	15.7
135.08067	25.1
135.11723	9.7
135.66386	2.6
137.05981	5.6
137.09622	7.6
141.07004	5.8
143.08604	9.4
145.06497	15.0
145.10153	16.4
147.08002	14.2
147.11703	6.0
147.64749	2.4
149.06004	5.3
149.09662	9.2
151.07549	5.3
153.09225	3.8
155.08580	7.5
157.10143	9.7
159.08070	19.0
159.11728	9.0
161.09663	13.7
161.13232	4.2
163.07574	11.3
163.11212	8.8
165.09142	3.3
169.10127	4.9
171.11739	12.2
173.08296	2.4
173.09612	13.2
173.13237	3.9
175.11255	5.7
177.09149	4.8
177.12785	16.0
178.13539	3.1
179.14325	35.5
181.10201	3.3
185.09708	3.2
187.11180	6.1
187.14862	6.1
189.12793	5.4
197.13277	10.0
199.11232	6.6
205.15811	12.7
215.14259	12.3
215.17964	2.4
217.12218	4.4
225.16504	4.5
233.15369	50.5
243.17361	14.7
253.15875	8.2
261.18524	30.6
265.17999	6.5
271.17023	30.1
289.17993	100.0
303.19577	5.9
321.20630	8.4
321.24231	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	321.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
55.05491	0.8
64.99531	0.5
65.03928	0.8
67.05491	1.2
69.07066	1.2
79.05489	1.1
81.07040	1.3
83.04969	0.5
91.05465	0.7
93.07046	1.8
95.04956	0.8
95.08601	2.3
96.89751	0.5
97.19262	0.6
98.75465	0.5
105.07018	1.5
107.08575	1.4
109.06521	1.1
109.10148	1.1
119.08551	1.1
121.06550	0.5
121.10152	1.5
123.08063	2.8
132.28831	0.5
133.10136	0.6
133.84692	0.4
145.10112	1.1
148.63274	0.5
149.09647	0.6
151.07539	4.7
157.10144	0.7
173.13260	0.5
189.12668	0.9
207.13823	3.2
207.76624	0.7
229.07385	0.7
247.13333	0.7
303.19769	0.6
303.23291	0.6
321.01764	5.5
321.16751	100.0
338.00024	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	10.3
57.03417	1.9
58.18023	1.1
58.99853	1.2
61.02936	2.3
68.98310	1.8
69.03427	5.5
70.99847	2.0
71.04970	2.5
71.26195	2.3
73.02920	2.0
81.03411	3.6
82.99826	6.0
84.04493	1.6
84.08144	2.6
84.96051	1.6
85.01419	1.6
85.02917	10.8
86.06039	1.2
86.99333	2.6
89.02686	1.4
97.01405	5.6
97.02889	7.2
98.97583	18.9
99.02938	2.0
99.97932	1.4
100.99104	1.4
101.00889	38.7
103.02431	2.5
109.02869	2.3
110.97552	8.0
112.99142	5.1
113.00875	21.9
115.00706	1.5
115.02431	20.2
116.07086	1.4
116.98602	5.0
117.03994	7.9
119.01926	30.9
125.00900	2.5
127.02416	4.9
127.03913	3.0
128.98587	4.3
129.00307	2.6
129.02226	3.5
129.03969	3.8
130.08559	1.4
131.00212	2.4
131.01917	26.8
131.17387	1.1
133.01790	1.8
133.03476	24.0
135.05089	6.1
137.00859	8.0
137.02946	2.7
139.02386	2.6
140.98549	1.9
141.02214	1.5
141.03951	6.0
143.00146	2.3
143.01904	20.2
145.03482	16.3
145.04784	2.4
146.99677	2.0
147.01405	3.0
147.03310	2.5
147.05040	1.5
149.02921	2.4
151.04472	1.8
153.04012	2.0
155.01906	35.7
155.05466	2.1
156.02710	3.2
157.03482	9.9
158.99643	6.2
159.03305	3.3
159.05054	28.9
159.06358	2.0
161.02966	19.2
163.04538	3.5
165.53958	1.2
167.01904	1.8
168.99820	8.6
169.03471	1.5
170.99698	2.6
171.01350	3.7
171.05037	37.1
173.01410	2.4
173.02939	19.1
173.06505	8.0
174.99220	1.3
175.04587	7.8
177.00763	1.7
177.02385	1.3
177.04356	4.4
177.06076	9.3
179.02045	1.7
183.03403	1.4
183.05063	4.2
185.02893	5.7
185.06609	4.3
187.00926	12.8
187.04546	4.2
189.02455	2.9
189.04376	1.9
189.06091	16.5
191.04022	5.2
191.07668	1.5
195.05269	2.3
196.99359	5.0
197.02957	3.5
199.00894	1.3
201.00775	2.8
201.02403	2.5
201.04338	2.5
201.06044	16.2
203.04021	24.3
203.07623	3.5
205.01964	2.8
213.06093	9.3
215.00388	14.6
219.01768	10.4
219.03593	4.2
219.05438	1.7
219.07202	11.3
221.05077	43.3
229.01967	11.9
231.03519	1.7
231.07152	9.0
233.05042	9.4
237.02823	8.5
239.56621	1.5
240.05702	1.7
240.07922	1.4
243.07025	6.3
245.05070	6.5
247.02989	29.8
249.04555	1.4
255.07082	3.0
259.06717	1.7
261.08246	56.2
265.04034	3.3
273.08374	2.7
279.09271	95.0
289.04050	5.1
302.10962	2.3
321.10394	100.0
322.10742	2.3
339.05774	1.1
339.09671	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	321.0971
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
53.03968	0.4
55.05514	0.8
57.07067	0.3
60.56340	0.2
62.42933	0.3
65.03931	1.1
67.05509	1.8
69.03429	0.7
69.07059	0.9
69.69348	0.3
70.06583	0.3
70.45599	0.7
70.45985	0.6
71.04986	0.7
72.08143	0.5
74.77310	0.3
76.29428	0.2
79.05483	0.9
81.03423	0.4
81.07071	2.2
83.08630	0.4
84.08152	0.4
85.06537	0.7
87.08104	1.0
91.05486	10.3
92.06901	0.2
93.07066	1.4
95.04980	4.6
95.08610	1.0
97.06549	0.4
99.08099	0.3
105.04553	0.3
105.07040	0.7
107.08607	0.9
109.06505	1.3
109.10123	1.0
111.04424	0.6
113.98568	0.3
117.06992	0.4
118.06554	0.3
119.04953	25.0
119.08572	0.6
121.02871	0.5
121.06501	0.4
121.10134	1.1
122.06042	1.0
123.08109	0.4
123.11726	0.6
125.05974	0.4
126.05550	0.5
127.03921	0.4
130.06528	1.3
130.08629	0.4
132.08127	0.4
132.69273	0.3
135.11739	0.6
136.07634	1.6
137.09604	0.5
139.03938	1.3
139.11195	0.4
144.08092	0.3
145.10158	0.3
146.06007	1.1
147.04419	100.0
151.11247	0.3
152.70753	0.3
157.07625	1.0
158.06035	1.2
162.05554	0.5
163.11179	0.5
164.07079	2.6
165.05519	2.6
165.12637	0.3
170.06087	0.3
182.08133	1.5
188.07098	1.2
189.06564	0.3
189.23659	0.3
190.05026	0.4
249.18497	0.5
259.14462	1.5
261.08682	0.4
267.19632	0.4
285.12415	0.5
285.20511	0.3
303.09198	0.5
303.13379	1.0
303.16788	0.5
303.23407	0.8
321.11002	0.5
321.14563	0.5
321.18134	0.4
321.24261	0.9
339.13120	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.5
56.96568	31.7
57.03424	3.8
61.02923	7.2
69.03436	20.7
69.76704	3.7
69.77115	6.1
70.06593	3.6
70.98122	2.7
70.99880	1.9
71.04989	5.7
71.64434	1.9
73.01427	3.7
73.02915	4.0
81.03426	8.6
82.99835	9.4
83.04951	3.5
84.04462	1.9
84.08128	5.3
84.96042	4.0
85.01386	2.4
85.02911	38.6
86.09672	2.5
87.04468	5.5
91.02497	1.7
91.19574	1.6
94.99838	2.4
97.01396	4.3
97.02886	21.5
98.06104	2.2
98.97585	58.3
99.02966	2.4
99.04477	4.6
101.00887	73.0
103.02424	3.3
109.02892	6.1
110.97583	13.0
112.07670	2.8
112.30478	1.8
112.99146	6.7
113.00864	17.5
115.00695	4.1
115.02442	26.5
115.08752	2.0
116.98603	17.7
117.03973	3.7
119.01928	86.9
121.01646	3.0
124.99136	2.7
126.98751	3.1
127.02406	5.5
127.03923	8.5
128.98613	9.3
129.03976	6.2
130.04890	1.9
130.08574	2.7
131.00201	4.5
131.01915	34.2
133.01816	2.6
133.03479	36.3
135.05083	2.3
137.02960	9.2
137.06044	1.9
140.98613	3.4
141.04021	3.6
143.00133	7.0
143.01910	19.8
144.98065	3.0
144.99843	3.5
145.01659	4.9
145.03468	14.5
145.04985	6.5
146.99615	3.1
147.01395	2.2
147.04219	2.7
147.05199	3.5
149.02913	6.4
151.04485	4.1
152.98578	2.8
155.00136	2.3
155.01886	11.7
156.12689	2.0
156.98137	3.2
157.03500	9.3
158.55147	3.2
158.99655	16.8
159.01390	3.3
159.03223	6.4
159.05017	12.3
161.01607	3.2
161.02963	27.4
163.00720	2.1
163.02734	2.5
163.04535	2.7
166.04796	3.1
168.99840	24.3
170.99649	4.8
171.01375	9.6
171.05038	13.3
173.01254	5.2
173.02979	24.7
174.99083	2.7
175.04530	6.3
177.00963	9.6
177.02475	5.6
177.04362	10.4
177.05957	3.6
182.99757	2.1
183.01402	4.3
183.04146	6.7
185.02937	4.2
187.00880	45.1
187.04547	5.5
189.00838	3.4
189.02399	21.5
189.06090	6.1
191.02313	3.4
191.04002	16.5
195.05247	2.4
196.75752	1.9
196.99329	16.5
199.00861	2.2
199.04489	3.3
201.00667	7.3
201.02455	26.5
201.04265	4.3
201.06087	4.2
203.02287	3.3
203.04013	8.1
205.01958	11.8
205.03764	3.2
211.01103	2.4
213.06010	2.6
215.00371	52.9
215.01942	1.9
217.01929	4.4
217.05649	2.4
219.01726	23.6
219.03551	26.4
219.05435	2.9
219.07091	4.3
221.05096	12.7
224.01360	2.1
224.57829	2.3
229.01956	44.6
229.04079	3.3
231.03432	6.6
231.05338	3.0
231.07256	3.3
233.01373	5.8
233.05103	35.0
235.06705	2.0
237.02757	16.3
239.04492	2.2
239.07468	2.5
239.57736	2.9
240.05792	6.1
245.05095	4.4
247.03008	100.0
248.03081	2.2
249.04565	7.2
255.06320	4.2
261.02496	3.0
261.04803	2.8
261.08206	11.1
265.04037	11.7
270.04697	3.2
271.07324	2.1
279.05917	3.5
279.09396	21.7
289.03976	22.0
298.08978	2.2
298.18597	2.7
321.06650	19.8
321.10037	38.1
321.16415	4.3
339.09735	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	321.0608
Annotation	2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
Peak:m/z	Relative Intensity
50.59665	0.8
55.01867	1.9
56.05027	1.7
59.03933	0.7
65.03950	4.4
67.01863	1.2
67.05488	1.2
68.99785	4.5
69.03423	1.9
69.07040	0.8
70.06585	3.2
71.52452	1.4
71.85111	0.7
72.08148	1.3
78.17145	0.7
79.05489	1.1
81.03419	2.1
81.07050	2.0
83.04989	1.0
84.04499	1.6
84.08146	1.4
85.02895	2.0
86.09704	1.8
91.05488	2.2
93.03391	2.9
93.07037	0.8
95.04952	1.4
95.08588	1.6
97.02902	2.2
97.06535	1.4
103.05448	0.8
105.03428	1.9
107.04948	2.1
107.08604	0.9
109.02879	2.9
110.03661	1.6
111.00797	1.3
111.04443	14.4
116.07102	2.0
117.06992	1.3
119.04926	2.9
121.02876	11.4
123.04421	3.0
125.02361	1.5
125.05969	0.8
127.03952	4.7
128.80849	0.8
131.04857	1.2
132.95853	0.9
133.02827	2.3
135.04439	1.4
136.07530	1.9
137.02351	9.3
137.05994	4.8
138.03131	2.9
139.03906	43.2
141.09105	1.7
142.97952	0.8
145.06445	3.2
147.04427	8.6
149.02350	60.5
150.03149	8.7
150.05383	0.8
151.03926	3.7
153.01839	100.0
153.05453	24.6
155.04872	1.5
157.06453	1.0
159.04416	1.7
159.10118	1.1
160.07597	1.1
161.05963	0.9
163.03900	3.7
164.59215	0.8
165.01848	1.1
165.05473	9.6
167.03421	14.3
168.42982	0.8
171.02885	1.0
173.05981	5.7
174.08661	0.8
177.01830	2.4
177.05524	1.3
178.02670	1.0
183.04457	4.6
183.06503	3.7
191.03340	2.2
191.08270	1.0
193.03279	1.7
193.04971	28.5
195.02921	22.1
197.05858	0.9
201.05475	8.3
205.04994	1.1
211.05960	1.6
219.02902	7.0
229.02887	1.5
229.04984	18.2
233.04480	1.5
239.03462	0.9
243.22203	0.9
247.06032	29.5
257.04507	6.7
260.98431	1.4
261.03986	2.1
267.11282	0.8
274.04700	2.8
275.05499	64.6
285.07526	1.7
285.12210	1.1
289.03430	1.0
303.05020	20.3
303.08334	0.8
303.13327	2.8
304.81873	0.8
321.06006	13.8
321.09479	2.3
321.14551	2.7
321.18234	1.4
321.21817	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	320.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69130	0.6
51.82443	0.9
55.05502	3.5
57.07071	1.7
58.36659	0.6
59.11177	0.9
60.04514	1.9
61.09745	0.9
62.06095	100.0
65.03901	0.8
67.05505	9.8
69.07059	3.0
69.67363	3.3
70.02957	1.0
70.06573	1.3
79.05498	12.7
81.07061	12.8
83.08603	1.6
85.06546	1.4
88.07626	2.3
91.05492	10.4
93.07051	21.1
95.04979	1.9
95.08617	9.5
96.93745	0.8
102.09182	1.6
105.07043	12.9
107.08595	11.2
109.06498	1.2
109.10146	3.5
117.07008	1.9
119.08594	11.9
121.10159	10.6
123.11654	1.0
130.08640	1.4
131.08563	4.4
133.10153	10.4
135.08153	0.9
135.11688	9.6
143.08542	1.3
144.10242	1.8
145.10135	4.2
147.11690	8.3
149.09612	0.9
149.13274	7.8
157.10181	2.0
158.11841	1.0
159.11627	3.9
161.09592	0.8
161.13298	8.3
163.14853	4.6
165.12769	2.5
171.11725	3.5
172.13345	1.2
173.13269	2.6
175.11237	1.0
175.14838	12.7
177.16379	1.6
185.13257	2.4
186.14993	1.4
198.14854	1.2
199.14806	2.2
203.14331	1.0
212.16478	1.2
213.16243	1.0
217.19557	3.6
226.18089	1.0
231.21075	2.0
232.14548	0.7
240.19519	1.2
241.19507	8.0
254.21527	0.8
256.26334	0.9
257.26660	0.9
258.26959	3.7
259.17969	1.5
259.20596	15.2
302.24738	3.3
303.23221	1.3
320.03848	1.4
320.25836	54.7
320.30566	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	319.2633
Annotation	Methyl arachidonate
Peak:m/z	Relative Intensity
50.35224	0.9
53.03960	4.4
54.23259	0.7
54.88216	0.8
55.01872	1.0
55.05270	1.0
55.05517	14.0
57.03437	0.9
57.07081	4.7
65.03937	1.4
67.05509	38.0
69.07074	18.4
71.04994	0.9
71.08639	1.8
73.06507	1.3
77.03886	1.1
79.05499	73.3
81.07062	50.6
83.04988	1.7
83.08624	8.4
85.06530	1.7
89.06042	3.3
91.05483	27.4
91.24176	0.8
93.07050	100.0
95.04978	5.1
95.08613	34.3
97.06528	2.2
97.10148	3.5
98.20795	2.4
105.04516	3.0
105.07031	12.9
107.08601	59.0
109.06551	1.5
109.10168	14.0
111.08081	1.4
117.07001	2.5
119.06052	1.2
119.08572	9.7
121.10155	49.8
123.08073	2.0
123.11698	3.9
131.08591	4.3
133.08603	1.0
133.10141	9.2
135.11699	50.2
137.09576	1.0
137.13312	1.0
139.11136	0.9
143.08588	1.6
145.10114	4.2
147.11676	5.2
149.09685	1.2
149.13274	31.4
151.09772	1.2
151.11125	1.3
157.10178	1.3
159.11705	4.5
161.13237	3.2
163.11198	2.1
163.14827	15.1
173.13277	2.7
175.14804	2.1
177.12769	2.1
177.16414	3.2
187.14873	2.4
189.16393	1.4
191.17999	1.1
199.14929	1.2
205.15933	1.0
223.17014	1.1
235.16905	1.3
237.18553	2.7
241.19667	1.2
245.19035	1.4
249.18542	1.1
259.20667	1.4
259.24124	1.0
263.20209	1.8
269.22562	1.0
277.21698	2.1
287.23666	7.6
319.26355	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.6
56.96567	2.0
57.03428	1.4
61.02916	1.2
66.85970	0.9
68.04993	1.0
69.03443	5.4
69.07050	3.7
70.04771	4.0
70.06592	9.0
71.04974	0.9
71.22511	0.8
72.08135	1.0
74.11753	0.8
75.20274	0.9
79.05476	1.5
81.03413	3.5
84.04507	2.6
84.08113	1.1
85.02904	10.4
86.09705	2.3
94.06571	5.0
96.04512	5.3
96.08128	2.6
97.02888	5.6
98.06060	8.8
98.97584	7.5
102.05564	1.8
107.04999	0.9
108.04462	1.4
109.02893	9.6
110.97578	2.5
112.07614	5.5
114.05530	15.7
116.07018	1.4
116.98633	1.6
122.06071	2.0
123.04385	1.2
126.05510	3.2
127.03904	3.1
128.98625	1.5
138.05489	1.0
138.09117	4.4
139.03851	0.8
140.07072	49.6
141.05478	11.8
143.00253	1.4
145.04907	1.1
158.08131	100.0
158.99652	2.4
173.12970	1.4
174.08366	0.9
191.04829	2.6
219.01785	2.1
234.98987	1.6
236.63123	0.9
237.02704	1.3
240.12288	1.7
249.69899	0.9
258.13416	2.9
260.39392	1.1
276.14417	1.2
294.27344	0.9
302.12222	2.3
320.11069	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.8
60.08167	22.6
62.62950	0.6
65.03935	1.3
65.41607	0.6
67.05495	1.4
69.07071	1.3
69.45340	4.6
71.04982	1.5
72.08163	4.8
79.05489	1.3
81.03428	0.8
81.07071	3.2
85.02891	1.1
85.06525	0.8
88.25499	0.7
91.05464	1.0
92.05007	1.5
93.07048	2.0
95.04979	1.5
95.08604	1.2
96.08117	0.9
97.06550	1.7
98.20780	1.2
98.67178	0.6
99.08079	0.9
105.07030	1.0
105.81239	0.6
107.08611	0.7
119.08572	1.1
121.10150	1.9
124.07608	0.9
126.09124	3.6
129.07004	3.0
130.06534	4.9
133.02834	0.9
137.05972	2.0
138.09175	1.0
139.11180	1.7
144.08115	5.3
146.05992	0.9
148.03976	1.9
149.02310	1.5
149.09560	0.7
151.03963	0.7
152.07063	8.3
153.01833	2.5
154.06526	19.3
155.07245	1.9
156.08096	14.1
157.12228	1.7
158.06012	2.9
166.05020	17.9
166.06306	0.6
170.05977	1.0
172.07616	4.5
176.03416	3.2
182.06020	95.0
183.06802	3.2
184.07567	5.3
186.09143	1.5
189.12402	1.1
190.08649	1.6
194.04500	2.7
199.08754	1.1
200.07097	11.0
200.10727	0.9
202.08936	0.8
210.05482	4.8
211.08632	1.1
212.09471	1.4
214.08640	4.0
216.10164	2.0
227.08177	0.8
227.11784	1.8
228.06519	2.3
240.08827	1.8
241.09601	1.1
242.08144	22.8
243.11258	1.8
253.09776	1.7
255.11345	2.9
260.09189	100.0
261.09647	0.7
265.17923	1.0
270.10114	0.7
271.10751	3.9
273.07623	2.0
273.12296	4.1
283.10785	14.1
283.19009	1.2
289.11819	2.2
294.56766	0.6
301.06845	0.7
301.11832	14.9
319.04510	2.8
319.08853	1.1
319.12906	21.1
319.16599	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	319.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.01855	0.8
55.05503	2.6
56.25571	0.7
57.03423	2.4
65.03940	2.5
67.05501	4.1
67.21768	0.8
69.03429	4.9
69.07054	3.4
71.04993	3.4
71.08619	0.7
71.53434	1.1
77.07414	0.7
79.05491	3.7
79.11910	0.7
80.04983	1.2
81.03409	3.5
81.07064	6.6
83.04970	2.7
83.08636	1.1
85.02897	4.0
85.06549	1.2
87.00838	1.7
88.49965	0.8
91.05485	3.6
92.05018	3.2
93.07041	7.0
94.06545	1.0
95.04972	3.7
95.08608	4.8
96.08118	1.5
97.02880	3.2
97.06513	2.2
99.04448	1.3
99.18436	0.8
105.01888	1.1
105.07018	3.4
107.04955	1.2
107.08572	4.6
108.04474	1.8
109.02887	3.4
109.06534	2.1
109.10160	3.4
110.06053	2.0
110.09624	1.0
111.08077	1.8
117.07033	1.1
119.08573	3.2
120.04450	0.9
121.06539	5.4
121.10146	5.1
123.04440	2.6
123.08051	1.0
123.11686	2.1
124.07600	1.9
125.05988	1.0
127.03941	3.8
127.11238	1.6
129.07030	1.6
131.08534	2.5
133.02824	1.1
133.10165	3.0
135.08049	1.8
135.11678	2.1
136.03949	4.0
137.06001	1.8
137.09613	2.0
138.08138	1.6
138.09132	18.6
139.11162	1.6
144.08093	1.4
145.04939	1.5
145.10051	1.8
149.06000	4.8
149.09544	2.2
151.03903	6.4
153.01836	3.6
153.07011	1.0
154.04991	2.9
155.08574	1.3
155.10709	1.0
157.10110	1.8
159.11671	1.7
161.09621	0.9
161.13237	1.1
163.11156	1.2
164.03423	4.6
165.09056	1.1
167.07251	1.4
169.08853	1.4
169.10162	1.0
173.13263	1.0
174.04021	1.0
174.12709	1.4
176.03403	2.1
177.05461	5.7
179.03322	0.8
182.04521	13.4
182.06042	1.8
182.09590	1.0
184.07596	1.2
184.09851	1.3
184.11308	1.8
186.12866	1.1
193.04832	1.2
197.13173	1.0
199.08713	1.6
199.14841	1.3
201.13876	6.7
202.12239	1.0
209.11691	1.0
210.09187	2.1
211.08698	1.1
212.09183	1.3
212.10829	1.9
214.12192	2.4
227.11812	3.6
228.09036	1.8
229.13370	33.5
230.11827	1.3
238.08603	1.7
239.11752	1.5
240.02774	1.0
240.08760	1.1
255.11368	7.1
257.12878	23.1
258.11307	1.6
272.07916	2.5
273.12415	7.5
276.05289	1.7
283.10736	11.4
284.09177	11.0
301.06973	0.9
301.08215	1.5
301.11823	24.5
301.21570	3.2
304.04825	2.7
319.07617	5.6
319.12891	100.0
319.22934	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	319.0815
Annotation	Lecanoric acid
Peak:m/z	Relative Intensity
53.03946	0.6
55.01871	1.1
55.05492	0.8
57.75503	0.5
65.03931	1.3
66.58897	0.5
67.05505	2.4
68.99781	3.0
69.03439	1.0
69.07064	1.4
69.43880	4.6
70.06602	1.1
79.05489	1.8
81.03418	3.8
81.07042	1.8
83.05009	3.4
85.18649	0.5
91.05464	1.1
93.07051	1.3
95.04985	4.7
95.08615	1.1
97.06545	0.7
97.57401	0.6
103.05456	0.6
105.03394	2.1
105.07034	1.7
107.04972	2.8
107.08607	1.3
109.02892	12.3
109.06504	1.2
109.10189	1.3
110.03698	0.7
111.00813	0.6
111.04472	1.1
115.05449	0.7
119.04926	1.3
119.08601	1.0
121.02935	0.6
121.06488	0.9
121.10149	0.7
123.04435	38.9
125.06026	1.2
126.03145	1.8
127.03918	13.6
131.04886	0.6
133.02863	4.9
133.06522	1.0
133.10150	0.9
134.03706	0.7
135.04410	1.6
135.08049	0.8
137.05966	2.5
137.09680	0.5
138.03137	4.1
139.03964	3.0
141.05487	2.7
145.10083	0.7
147.04419	2.1
149.02344	2.1
149.06032	1.2
149.09581	0.6
150.03107	1.7
151.03912	83.0
152.04256	0.5
153.01852	15.7
153.05472	47.8
155.03398	0.8
157.06512	0.7
159.11705	0.7
161.02386	0.8
161.05992	1.4
163.03885	0.8
165.05487	7.3
167.03436	0.8
167.07057	1.3
169.04979	12.1
169.06386	1.2
176.14369	4.2
179.03410	40.4
185.06007	1.6
189.05455	1.8
193.05002	2.6
201.05501	0.7
203.07053	0.8
213.05466	3.8
217.05008	0.6
229.05045	1.0
231.06493	1.3
241.04967	3.7
245.08133	2.5
251.05762	0.6
255.06575	0.6
259.05975	0.7
268.03528	0.6
269.04440	2.4
273.07611	2.0
273.19693	0.6
285.03952	12.3
286.04727	11.3
291.08679	6.9
301.07068	27.0
301.21634	0.7
319.08124	100.0
319.20181	2.8
319.22964	1.3
320.08554	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0815
Annotation	Demethylsulochrin
Peak:m/z	Relative Intensity
53.03956	0.7
55.01868	1.6
55.05510	1.8
65.03945	3.7
67.01864	2.3
67.05505	2.0
68.99798	3.8
69.03411	2.9
69.07064	1.1
70.06592	1.1
71.04994	1.5
72.08151	3.1
79.05503	1.6
81.03407	1.6
81.07055	3.7
83.04994	1.3
85.02909	1.6
86.09739	0.8
91.05481	2.6
93.03428	2.1
93.07059	2.3
94.04166	1.8
95.04964	2.6
95.08633	1.1
97.02905	2.3
105.03394	3.3
105.07050	1.2
107.04974	1.0
107.08586	0.9
109.02935	1.6
109.06513	1.9
109.10162	1.6
111.00827	2.6
111.04451	7.4
121.02878	9.0
121.06509	1.0
121.10171	1.9
122.03645	5.8
123.04427	5.9
125.06013	4.2
127.03893	1.9
130.04996	1.3
131.08519	1.0
133.02859	11.4
134.03592	1.0
137.02399	2.1
137.05986	90.7
139.03909	7.0
139.11182	1.2
141.07030	0.9
141.09805	0.8
145.10175	1.3
149.02351	56.6
149.06015	1.8
150.03145	1.5
151.03885	2.0
153.01840	100.0
154.02528	1.1
157.06465	1.9
161.02347	18.5
161.05965	2.0
163.03955	1.0
164.67059	0.9
165.01837	1.3
165.05481	5.2
166.05017	1.2
167.03418	15.2
171.02917	1.8
179.03323	1.7
184.05194	3.8
185.05983	5.8
189.05499	1.7
193.04932	6.8
195.02907	36.4
197.05940	1.0
212.04704	4.4
213.05490	13.7
217.05002	6.3
227.03336	1.3
227.06934	1.6
229.04935	4.6
230.05840	1.8
241.05000	16.8
245.04408	3.7
245.08110	41.0
258.05304	2.3
269.04532	5.2
271.10910	1.1
272.06863	2.2
273.04346	2.7
273.07587	70.5
273.12329	1.9
283.10791	1.4
286.04724	3.7
301.03659	1.1
301.07068	31.0
301.11887	4.6
319.04492	40.2
319.08127	12.2
319.12619	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	318.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37608	0.4
53.03950	0.8
53.30067	0.4
54.50977	0.4
55.01872	0.8
57.03433	1.2
60.04466	0.4
61.02915	1.3
67.05508	0.5
69.03082	0.5
69.03430	3.7
69.07058	1.0
70.06623	0.4
71.23072	0.9
73.02923	0.6
74.69188	0.4
79.05495	0.6
81.03426	1.1
82.02930	0.4
82.06586	0.7
85.02429	0.7
85.02911	7.4
86.09688	0.7
87.04475	1.1
89.66316	0.4
91.03941	0.6
91.05483	0.7
93.07046	1.6
95.08601	1.6
96.04490	2.8
96.08131	1.8
97.02900	2.8
97.05231	2.0
97.06536	1.1
99.04513	0.4
100.07610	1.1
103.05451	0.6
107.81972	0.4
109.02898	0.5
110.06045	5.2
110.09669	2.9
111.08087	0.7
120.08105	1.1
120.24060	0.4
121.05660	0.8
121.06511	13.9
123.90762	0.5
125.08386	0.8
126.09154	7.8
127.03917	1.8
132.21140	0.4
138.09142	22.0
139.07541	2.5
145.04936	1.1
156.10204	100.0
157.10622	0.5
159.09238	0.7
168.10178	0.5
169.07588	1.1
173.12877	0.7
187.08704	0.7
197.07077	0.7
198.11293	1.0
215.08160	6.8
222.11310	0.5
232.10713	0.5
300.10132	0.4
318.15399	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01862	2.0
57.03429	2.4
61.02929	5.5
69.03433	8.8
69.07065	2.5
70.06596	100.0
71.05016	1.4
72.08152	3.5
73.02919	2.1
74.06074	1.3
81.03424	5.0
82.06605	0.8
84.04479	2.1
84.08131	1.5
84.33721	0.8
85.02906	40.2
86.09695	2.3
87.04469	2.1
91.03948	2.6
91.05476	2.2
93.07045	2.9
97.02913	9.4
99.04431	2.1
101.01719	5.5
103.05450	1.4
109.02878	3.8
115.03929	0.9
116.07086	1.5
119.04930	0.9
121.02874	44.5
121.05655	1.8
121.06509	28.6
123.04436	1.1
125.07244	0.9
127.03934	8.8
128.03447	1.5
128.07092	1.1
130.06529	9.3
132.04425	3.1
136.69176	0.9
137.05980	2.1
138.05513	4.8
138.09171	2.1
139.03906	56.7
139.96626	0.9
145.04976	15.0
145.06485	1.5
153.01813	1.6
154.04994	3.3
155.08231	1.0
156.06558	7.1
156.08084	3.0
156.10196	4.0
157.07632	7.7
158.06024	9.2
159.07924	1.0
159.09152	2.8
163.05998	2.1
175.08690	14.8
179.07036	1.6
184.08545	0.9
185.05635	0.9
185.07123	2.1
186.98874	1.4
187.07471	7.5
198.19022	1.1
201.09190	0.9
202.07098	1.8
203.08212	5.2
205.08575	5.7
214.08203	0.9
215.08205	4.1
221.09198	20.3
228.08647	2.1
229.08586	2.2
246.09729	3.6
247.09663	1.3
265.10715	2.1
276.06467	1.9
295.08624	0.9
300.09998	3.7
300.13431	6.1
318.07114	1.5
318.14920	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	318.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.8
56.96572	21.1
57.03430	5.0
61.02917	7.3
69.03429	13.3
70.06586	2.3
71.40079	2.0
71.53199	2.9
72.08144	6.5
73.02926	6.2
73.87244	1.9
74.06077	2.2
81.03428	15.5
82.99850	2.8
84.04492	3.9
84.08112	3.4
84.96039	3.1
85.02913	27.8
86.09718	6.0
87.04465	4.6
91.05480	11.5
96.04453	2.6
97.02907	11.7
98.97594	31.2
99.04481	6.1
99.97960	2.1
101.00898	18.3
102.05570	2.7
109.02884	7.9
110.97578	8.1
112.99152	2.1
116.98630	8.1
119.01917	24.1
119.04952	25.4
121.06505	9.6
122.03652	4.4
124.99032	2.2
126.30360	1.8
127.02452	2.8
127.03937	7.1
128.00208	5.3
128.98601	5.4
131.00175	2.5
131.01897	5.1
133.03462	5.6
137.05983	94.6
138.05513	52.4
138.09178	5.8
139.02437	5.0
141.00279	2.3
143.00224	3.2
143.01897	14.5
143.62973	2.0
145.03491	5.1
145.04938	4.1
146.01276	5.9
146.99651	2.6
147.03226	4.7
147.04417	58.1
149.01233	3.1
151.07458	2.0
155.04686	3.8
156.03540	5.8
156.06557	44.5
156.08823	7.5
157.03471	28.6
158.99669	6.3
159.01418	3.2
160.02164	2.2
161.02939	21.7
164.05197	3.1
167.01956	3.5
169.03517	3.8
170.92206	2.0
170.99612	2.3
171.05067	2.7
173.03009	3.2
174.04422	3.7
175.03218	2.2
175.04524	13.3
177.00752	2.7
179.07059	55.0
183.05064	2.3
185.02840	13.4
186.04314	2.7
187.04530	4.9
189.05981	2.8
191.24055	2.3
193.03221	2.5
197.08096	8.7
199.04585	7.1
201.00612	2.7
201.06102	4.3
203.04131	6.4
206.07002	3.6
217.05615	3.0
218.06952	2.8
219.01839	6.5
220.50330	2.4
224.08049	3.3
227.06868	3.8
227.57008	3.3
228.05586	2.8
230.17535	2.4
236.57469	8.2
237.02846	5.0
237.08076	2.9
245.05087	6.2
248.08026	3.5
258.06268	3.2
259.06644	3.7
276.07620	14.5
277.07727	57.8
295.08780	100.0
309.08661	2.7
318.09567	10.8
318.22617	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	317.2112
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
52.52315	1.7
55.01868	2.5
55.05510	12.2
57.07059	6.2
59.04995	5.3
65.03943	2.0
67.05508	45.7
68.97250	1.6
69.03419	3.9
69.07060	4.1
69.29214	13.2
71.04987	3.2
79.05505	9.3
81.07060	26.3
83.04986	3.8
83.08618	5.8
85.06525	4.2
91.05479	13.0
93.07049	19.7
95.04979	24.9
95.08603	18.3
97.06541	8.0
98.20792	2.7
105.07036	13.9
107.04962	1.6
107.08604	36.5
108.05692	1.4
109.06509	13.8
109.10166	72.9
113.09635	1.8
117.07047	4.8
119.06065	1.8
119.08588	49.2
121.06498	5.4
121.10175	8.8
123.08083	20.2
129.07014	3.0
131.08537	7.1
133.06493	3.1
133.10124	9.3
135.08080	7.9
135.11684	1.6
137.06007	2.2
137.09621	60.7
142.07764	2.4
143.08536	3.5
145.10120	9.9
147.08034	4.7
147.11705	5.5
149.09596	6.0
151.07544	57.2
151.11029	1.5
153.05490	4.7
153.09048	1.8
155.08557	2.2
156.09366	1.7
157.10110	4.9
159.08015	1.9
159.11717	5.3
161.09619	9.1
161.13264	3.6
163.07526	2.4
163.11195	5.7
165.09135	6.1
167.07008	3.6
171.11714	5.0
173.09621	2.1
173.13309	2.7
175.11186	4.0
175.14803	1.7
177.09113	2.6
181.08578	4.2
181.12202	2.6
183.11740	2.1
185.13269	1.7
189.12758	27.1
191.10870	1.5
195.11821	1.9
197.13289	3.1
199.11208	2.4
201.12727	3.9
203.14381	1.6
207.13803	23.6
215.14381	4.0
217.12239	1.5
219.13826	1.5
221.15385	4.6
233.15390	3.8
237.14900	6.1
241.15851	1.6
243.13846	9.7
256.26285	3.3
259.16907	2.4
261.14929	4.9
281.19003	3.5
299.20007	9.9
317.06406	2.7
317.21133	100.0
318.30072	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	317.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01882	2.6
55.05513	1.8
57.03430	1.0
67.05517	5.7
68.99785	0.8
69.07069	2.1
69.82707	1.9
70.93483	0.4
71.04986	0.7
79.05499	2.8
81.03430	5.3
81.07067	13.3
83.04992	1.4
83.08617	1.2
83.88706	0.4
85.06570	1.1
91.05485	5.4
93.07042	1.6
95.04954	2.2
95.08639	2.8
97.06540	1.2
98.20776	0.4
99.08086	0.8
103.40080	0.4
104.54778	0.4
105.07037	6.0
107.01336	1.4
107.04947	0.5
107.08595	1.5
109.02850	0.5
109.06502	1.3
109.10171	0.8
111.04465	0.7
119.04961	0.8
119.08586	5.3
121.02856	0.5
121.10152	3.1
123.04453	2.0
123.08057	0.7
123.11726	3.3
127.03932	0.7
129.07004	0.8
131.08583	1.6
133.10152	2.9
134.03705	0.6
137.03496	1.6
137.05951	0.8
137.13301	0.5
139.03912	1.5
140.14555	0.4
141.05508	1.1
141.09068	0.5
147.11699	13.7
149.09595	0.5
152.04694	0.5
157.10162	1.4
163.03944	1.6
165.05496	0.6
165.12775	9.5
167.03421	6.3
167.07066	4.9
167.10614	0.4
175.11230	1.4
181.04874	0.9
191.07057	0.9
193.12268	4.0
197.15395	2.1
201.05545	2.1
206.05766	0.6
209.04475	27.4
219.06543	1.6
225.14810	0.7
229.04900	0.8
229.14401	0.5
232.03795	0.5
243.06650	1.1
243.15987	0.5
247.06061	1.6
257.04486	1.5
260.03308	0.4
267.15948	1.8
271.05902	0.5
274.04904	0.8
275.05597	1.1
285.16934	0.5
287.18527	0.6
289.07092	1.5
299.18524	8.1
302.04288	1.5
317.06592	100.0
317.22995	4.1
318.07007	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.1
55.05521	10.3
56.11919	1.4
57.03447	7.6
62.35453	1.3
66.78036	1.3
67.05173	2.7
67.05511	34.1
68.47348	1.3
69.03444	2.4
69.07073	15.0
71.04999	3.5
71.26360	2.6
72.08166	1.5
77.69585	1.3
79.05494	17.4
81.07063	83.5
83.04975	6.3
83.08620	6.2
84.75426	1.3
85.06548	5.0
85.79499	1.4
91.05482	31.7
92.05895	1.3
93.07049	16.4
95.04975	6.3
95.08614	21.1
97.02895	1.5
97.06541	10.6
99.08080	4.8
105.06398	2.7
105.07046	39.7
105.77618	1.6
107.08594	14.0
109.06520	7.5
109.10161	5.6
111.10658	1.5
115.07435	1.6
119.08585	33.4
121.10155	19.9
123.08117	3.4
123.11716	22.7
125.02341	1.6
129.07019	3.1
131.08582	6.1
133.10141	14.4
137.13269	5.0
139.03885	1.7
141.09166	2.1
147.11696	100.0
149.09668	2.9
153.01822	1.9
155.10747	2.0
157.10158	6.2
165.12767	68.4
175.11229	10.3
183.13745	1.5
193.12253	30.8
197.15395	21.3
201.07690	1.7
211.13336	1.9
225.14876	6.7
229.14374	4.9
243.15944	5.5
252.11118	1.4
267.15945	19.0
271.05896	1.6
271.15704	2.0
273.16733	2.2
274.04684	2.5
285.16891	3.1
299.15149	3.1
299.18546	45.3
302.04248	5.2
317.06644	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	317.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61062	2.5
53.03957	4.1
55.01868	5.7
55.05505	10.6
56.76715	2.9
57.03434	3.8
63.84059	2.9
64.42722	2.9
67.05507	15.3
68.33254	3.0
69.03428	4.7
69.07056	8.5
69.16068	15.8
69.16492	11.9
70.06595	4.7
71.04988	7.8
72.08157	3.4
76.94601	2.6
79.05495	21.9
81.03420	100.0
81.07039	20.6
83.04985	7.1
83.08631	24.1
84.08144	2.9
85.06541	4.1
87.04481	3.3
91.05495	28.3
91.77568	2.9
93.07050	19.9
94.07413	3.1
95.04980	31.4
95.08618	8.1
97.02924	5.0
97.06538	4.8
98.20770	4.6
103.05473	6.3
105.07017	14.2
107.04954	47.3
107.05620	3.6
107.08604	10.0
109.06528	5.3
109.10152	7.8
111.08080	12.7
113.06006	2.6
119.04987	3.6
119.08611	14.5
119.88251	2.7
121.06509	47.9
121.10147	9.2
122.06832	28.1
123.04409	4.0
127.03908	6.5
129.06981	6.6
131.04945	4.2
131.08597	8.9
133.06503	3.8
133.10188	6.3
137.05992	22.1
137.09601	4.7
139.03915	15.2
142.07770	3.6
145.10156	5.3
147.04433	7.9
147.11740	9.1
149.05974	16.2
149.09607	7.9
151.03908	4.6
151.07520	4.3
152.14377	12.9
153.01840	15.0
153.14696	16.8
157.10152	12.2
167.03378	3.3
167.07076	9.4
175.11220	14.6
184.78139	2.8
191.07025	4.8
192.07796	3.2
193.12250	91.3
195.07980	3.3
211.06122	4.6
211.13280	6.6
220.66386	2.8
225.14919	9.2
229.13484	5.4
250.35162	3.1
267.15912	52.7
272.20166	7.4
273.20435	65.0
274.04791	8.8
275.22284	3.3
285.17075	10.9
287.12744	6.2
299.18652	6.4
302.04153	27.2
302.07111	3.4
317.06534	72.7
317.09991	9.6
317.14667	3.9
317.23120	93.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1212
Annotation	dopaol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03942	1.3
55.01878	0.6
55.05499	0.6
56.63731	0.5
57.03441	0.6
57.07073	0.6
67.05499	1.0
69.03085	0.7
69.03436	8.8
69.07074	35.0
69.20486	5.1
70.06583	1.6
71.04980	2.0
72.08145	1.8
79.05500	1.0
81.03426	4.3
81.07048	1.0
83.06129	0.5
84.04517	0.6
84.08151	1.1
85.02904	3.2
85.06551	0.9
86.09721	1.0
86.63004	0.5
87.00851	1.0
87.08126	3.0
87.97823	0.6
89.07124	0.6
91.05482	1.1
93.07067	1.0
97.02894	2.5
97.06586	1.2
98.97586	0.5
99.04454	2.4
105.07025	0.7
107.06036	0.5
107.08598	0.5
109.02889	1.4
109.06538	0.7
111.04438	0.6
115.07574	8.4
115.08777	0.5
119.08575	0.6
121.10177	0.7
123.04399	0.7
125.05951	0.5
127.03951	4.3
129.10182	0.6
136.07600	0.7
137.05960	1.4
137.09647	0.7
137.46318	0.5
139.03923	0.9
145.04958	0.7
155.06778	0.9
165.05524	1.5
178.04985	1.1
179.06917	0.7
185.04199	0.7
189.04041	0.6
196.06085	0.6
203.05612	0.7
207.06560	1.5
208.27974	0.6
213.03931	1.5
231.05017	2.2
242.85419	0.7
282.07748	0.7
287.07306	0.6
287.10114	2.5
299.10730	4.2
317.06952	3.0
317.12097	100.0
318.12442	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
55.05496	0.6
65.03902	0.3
67.05468	0.7
68.99754	0.4
69.03400	0.3
69.07015	0.9
79.05459	0.7
81.03392	0.5
81.07001	1.1
83.04926	0.3
84.08123	0.4
85.02857	0.5
85.10514	0.2
89.65840	0.2
91.05423	0.8
93.03375	0.5
93.06992	0.5
95.04923	0.4
95.08545	0.9
102.37367	0.3
105.06981	0.8
107.04890	1.2
109.02840	0.4
109.10136	0.5
109.21786	0.3
111.04396	0.9
121.06455	0.6
121.10092	0.5
122.03572	0.3
125.06009	1.4
127.03893	0.3
133.02858	1.3
133.06447	0.6
135.04407	2.0
137.02287	0.7
137.05962	2.4
137.09435	0.3
139.00246	0.3
139.03864	0.6
145.10126	0.4
149.05936	0.5
149.09616	0.3
151.03802	0.3
151.07472	0.7
153.01802	1.9
153.05515	2.0
161.09581	0.3
163.03905	1.7
165.05379	0.4
167.03363	0.8
167.07069	0.5
172.58260	0.3
178.93251	0.3
179.06990	0.8
189.16333	0.3
192.04048	0.4
193.04921	1.0
203.03407	0.7
217.04956	0.8
218.05746	0.3
225.05376	0.3
228.04108	1.0
229.04884	0.3
229.36613	0.3
243.10141	0.3
255.06462	0.4
271.05997	1.4
271.09622	0.4
273.03964	1.1
274.04727	37.8
283.06009	0.5
285.07428	0.3
286.07913	0.4
287.12772	0.6
289.10873	0.4
299.05566	1.1
299.09198	1.7
299.12619	0.5
302.04218	43.5
303.04742	0.5
317.06583	100.0
317.09949	5.5
318.06784	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
63.03473	0.1
63.23695	0.1
65.03941	0.6
67.01883	0.1
68.99773	0.5
69.86756	0.1
70.82629	0.2
70.83017	0.2
81.07054	0.2
92.02628	2.5
93.03411	2.2
94.04185	0.1
103.05476	0.1
105.03404	0.1
107.04940	0.4
109.02875	0.2
109.06523	0.1
111.00799	0.3
120.02137	0.2
121.02866	1.7
122.03625	0.2
123.04382	0.2
126.03140	0.9
127.03850	0.1
131.04883	0.1
133.02867	0.2
135.04433	0.1
137.02383	0.5
137.05997	0.1
139.03896	1.4
140.09061	0.1
145.02811	0.1
145.06514	0.2
147.04443	0.1
149.02330	0.1
150.03156	0.2
151.03909	1.3
151.05019	0.1
151.07507	0.1
152.01073	0.2
153.01834	15.7
155.04933	0.2
161.06003	0.2
162.03093	0.1
163.03923	0.4
165.01855	1.1
166.02634	0.3
170.02144	0.1
173.06009	0.3
176.04756	0.1
177.01805	0.1
177.05432	0.5
179.03413	0.2
183.02913	0.4
183.04475	0.3
187.03923	0.4
190.02588	0.1
190.06279	0.1
191.03354	0.1
192.04254	0.1
193.01334	0.1
200.04694	0.6
201.05504	1.4
203.03386	1.3
204.04265	0.2
211.03899	0.2
212.04681	0.1
215.03423	0.1
217.04984	2.6
218.02414	0.1
218.05756	1.2
219.02866	0.6
228.04178	3.5
229.04974	6.3
230.05568	0.1
231.02843	1.0
232.03755	0.1
233.04500	0.2
239.03452	0.2
243.06566	0.3
245.04454	3.3
246.05244	3.0
247.02370	0.2
256.03738	0.5
257.04459	4.3
258.05261	0.1
259.02475	0.1
260.03174	0.7
261.07520	0.4
271.05994	0.3
273.03940	3.4
274.04733	6.7
284.03110	0.9
285.03955	7.5
286.04623	0.2
287.01810	0.3
288.06277	0.2
299.05524	0.1
301.03589	0.4
302.04221	21.1
303.04581	0.2
317.06564	100.0
318.06915	0.8
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	Unknow
Peak:m/z	Relative Intensity
51.42123	0.1
53.93975	0.1
55.25693	0.1
62.06574	0.1
65.03930	0.6
67.05482	0.1
68.99796	0.3
69.03419	0.1
69.58923	0.2
69.59338	0.4
70.06564	0.1
81.77625	0.1
92.02629	2.6
93.03410	2.4
93.07072	0.1
94.04192	0.1
95.04958	0.1
98.20751	0.2
105.07047	0.1
107.04940	0.2
109.02870	0.2
111.00794	0.4
117.07014	0.1
120.02080	0.2
121.02866	1.8
122.03621	0.2
124.01567	0.2
126.03128	0.8
127.03913	0.1
129.06931	0.1
131.04892	0.2
133.02850	0.2
137.02322	0.5
139.03928	1.4
145.06474	0.1
149.02338	0.2
150.03108	0.2
151.03915	1.1
151.05002	0.2
153.01833	14.8
154.09160	0.1
155.04921	0.2
163.03923	0.3
165.01820	1.1
166.02675	0.2
170.02110	0.1
173.06068	0.2
176.04663	0.1
177.05508	0.3
179.03334	0.2
183.02884	0.3
183.04364	0.1
187.03938	0.2
189.05421	0.1
192.04205	0.2
200.04663	0.8
201.05467	1.4
203.03360	1.2
204.04216	0.2
205.05035	0.2
207.06519	0.1
211.03880	0.1
213.05542	0.2
216.55078	0.1
217.04984	2.4
218.05733	1.1
219.02934	0.6
228.04189	3.3
229.04968	6.5
230.05600	0.2
231.02846	0.9
232.03676	0.2
239.03406	0.1
243.06535	0.2
245.04465	2.8
246.05249	2.9
247.02415	0.2
256.03772	0.5
257.04453	3.9
259.02313	0.2
260.03238	0.7
261.07614	0.4
271.06088	0.5
273.03946	3.0
274.04736	5.8
275.05270	0.1
284.03204	0.9
285.03952	6.8
286.04593	0.2
287.01895	0.3
288.06378	0.3
299.05219	0.1
301.03433	0.5
302.04214	19.9
317.06552	100.0
318.06873	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0658
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
50.55149	0.1
53.03957	0.1
54.52640	0.1
55.01879	0.2
57.03440	0.1
62.78462	0.1
65.03934	0.6
67.01848	0.2
68.99789	0.5
69.03402	0.2
69.33236	0.1
70.78183	0.3
74.46552	0.1
77.03901	0.1
81.07048	0.3
91.05501	0.2
92.02627	2.7
93.02828	0.2
93.03407	2.4
93.07074	0.2
95.04976	0.2
105.07011	0.2
107.04959	6.2
109.10127	0.2
111.00816	0.3
111.04388	0.2
112.22250	0.1
115.46542	0.1
121.02885	1.4
121.06476	0.4
122.03652	0.3
123.04402	0.2
124.01582	0.2
126.03155	1.0
127.03891	0.8
129.05518	0.2
133.02782	0.2
136.07552	0.1
137.02289	0.7
137.05962	0.3
139.03917	1.2
145.02907	0.1
145.06473	0.2
145.10075	0.2
149.05931	0.4
151.03922	1.1
152.01031	0.2
153.01833	20.1
155.04921	0.2
157.06514	0.2
161.06015	0.2
163.03922	0.5
165.01857	0.9
166.02638	0.3
169.04990	0.2
173.06006	0.3
176.04651	0.2
177.05438	0.4
179.03319	0.2
183.02890	0.3
183.04370	0.2
187.03926	0.3
189.05527	0.2
190.06250	0.2
191.07091	0.2
200.04532	0.7
201.05505	1.3
203.03377	1.4
217.05002	2.3
218.05775	1.2
219.02962	0.5
222.04984	0.2
228.04184	3.6
229.04962	6.5
231.02852	0.8
232.03699	0.2
233.04707	0.2
245.04475	3.2
246.05244	3.2
255.17862	0.4
256.03641	0.5
257.04456	4.0
258.05145	0.2
260.03259	0.6
261.07620	0.4
271.06015	0.5
273.01266	0.3
273.03955	3.3
274.04739	8.0
284.03198	0.7
285.03946	7.4
287.01862	0.2
288.06259	0.4
299.20172	0.2
301.03513	0.3
302.04221	21.8
303.04535	0.2
317.06564	100.0
318.06982	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0635
Annotation	(-)-Arborescidine B
Peak:m/z	Relative Intensity
53.03942	4.6
55.01861	6.1
55.05494	3.4
56.96558	9.8
57.03422	12.5
58.06596	4.2
61.02932	28.8
69.03437	27.7
69.99371	12.3
70.99835	3.0
71.04971	7.1
73.02929	15.9
81.03430	19.4
81.89220	2.6
83.04990	3.2
84.08112	2.8
84.96022	3.4
85.02444	3.7
85.02910	55.4
86.09680	3.2
93.99967	2.8
97.02878	22.2
98.97592	21.9
99.04430	10.0
101.00869	12.1
109.02885	14.6
110.97528	5.1
112.99146	3.2
113.00837	4.5
115.02359	2.8
119.01908	13.0
127.02411	3.2
127.03940	27.5
128.98584	6.2
129.03897	2.9
131.01852	8.9
133.03467	5.2
135.03040	3.3
137.01680	2.7
143.01860	8.2
144.10199	7.6
145.01680	2.9
145.03462	5.6
145.04924	11.4
145.10452	4.0
146.05046	15.3
147.05042	5.3
155.01875	6.2
155.04561	29.0
155.05647	3.9
157.03516	6.0
158.99634	11.7
161.02863	6.4
164.05151	6.2
165.06107	3.5
169.03391	5.1
171.05156	4.1
172.99379	2.8
173.02928	7.9
175.04601	4.3
176.04283	3.0
177.00772	3.2
183.04919	3.6
185.02986	6.2
185.99525	4.9
189.04349	4.9
189.06041	16.8
193.03459	2.8
201.00652	4.4
201.06078	10.4
202.14384	7.4
203.03992	5.3
203.14651	7.4
205.04440	5.2
206.07066	2.7
211.04420	5.4
215.00249	4.5
217.05588	2.7
219.01759	6.9
219.56773	13.2
220.04431	5.6
220.06880	9.4
221.05220	3.8
223.06387	4.4
227.06714	48.6
229.04665	7.3
232.06972	5.1
235.06627	5.6
235.81839	3.0
236.07271	27.2
237.02866	4.5
245.05042	4.7
251.04442	2.9
253.07600	3.3
257.05029	3.4
269.05344	5.9
275.02444	4.3
277.07642	8.9
287.06656	3.0
291.09601	20.2
295.08719	6.7
309.08759	10.0
317.06290	100.0
317.19202	4.9
317.22617	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	316.2848
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.01882	0.7
55.05517	4.6
56.05040	3.9
57.03443	0.8
57.07082	2.4
60.04532	100.0
67.05513	8.1
69.07071	4.5
69.96195	1.2
69.96590	0.7
70.06612	1.3
71.08643	0.8
72.04521	2.2
74.06087	1.8
79.05498	3.5
80.05019	0.9
81.07061	7.1
82.06593	1.5
83.08622	3.2
86.06049	0.6
86.50928	0.5
87.04478	0.6
90.05560	1.0
91.05487	2.9
93.07034	2.9
94.06586	0.9
95.04988	0.9
95.08619	7.6
96.08107	0.4
97.06544	0.8
97.10177	1.9
98.06052	0.5
98.21435	0.4
100.07615	0.6
105.07024	1.1
107.08595	2.4
109.10177	3.3
111.11752	0.5
119.08613	1.5
121.10171	1.7
123.11705	0.8
133.10178	1.1
135.11719	0.6
173.90817	0.5
206.50815	0.5
223.43822	0.5
245.22522	0.7
250.25401	1.4
262.25378	1.9
268.26385	0.9
280.26355	12.3
298.27451	15.0
316.28500	55.7
317.21136	0.8
317.28778	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2233
Annotation	Leu Ala Ile
Peak:m/z	Relative Intensity
55.05513	0.4
57.82920	0.3
67.05517	0.3
69.07076	7.6
71.36532	0.4
72.08154	0.4
79.05495	0.5
81.07050	1.0
85.02927	0.3
85.04453	0.3
86.09711	100.0
87.10060	0.3
91.05493	0.5
95.08615	0.5
97.06554	0.4
105.07046	0.4
126.34238	0.3
132.10223	10.2
132.11169	0.7
153.01884	0.9
157.13374	25.1
185.12871	28.4
203.13930	12.3
203.15855	0.5
214.21301	0.3
225.58382	0.3
229.05051	0.5
254.17575	0.5
274.04669	0.5
285.03973	0.6
287.10284	0.4
298.20267	0.5
299.10754	0.5
302.04172	1.5
316.12543	0.5
316.22211	1.7
317.06589	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	316.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04259	0.4
55.05495	0.8
67.05481	1.3
68.05040	1.9
69.03407	0.5
69.05818	2.8
69.07064	0.6
70.06600	15.1
71.05004	1.7
71.16889	0.6
72.08133	1.3
80.05019	0.6
81.03419	0.6
81.07071	1.9
82.06555	1.3
83.04974	0.4
83.06923	0.5
83.07364	4.5
83.08634	0.5
84.08150	2.8
85.02903	1.3
86.06036	0.3
86.09711	0.7
87.04462	0.8
89.03963	0.3
91.05473	1.4
93.07043	1.1
95.08601	0.9
96.08155	0.4
96.08929	0.3
97.06499	0.5
98.06048	0.7
98.09659	0.5
105.07019	0.7
107.04959	0.3
107.08569	0.5
109.06548	0.4
109.10179	0.6
111.07995	0.4
112.07605	0.4
117.03367	0.4
119.04913	0.3
119.08578	0.5
124.07586	0.6
126.09121	1.0
131.04904	0.3
131.08527	0.4
133.10162	0.4
135.04422	1.8
137.05957	1.6
145.02867	1.2
149.02336	0.4
151.11197	0.4
153.01874	0.6
154.08620	0.6
158.11722	0.4
163.02539	0.6
163.03917	8.8
172.43025	0.3
191.62366	0.3
208.16954	0.7
226.18039	3.0
236.16434	5.8
238.18048	1.6
240.15919	0.5
242.17484	0.6
254.17532	100.0
256.19128	5.2
272.18619	1.5
274.04596	1.7
298.20160	44.6
302.04187	2.9
316.08853	0.9
316.21207	23.2
317.06583	6.0
331.19894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1755
Annotation	Indicine N-oxide
Peak:m/z	Relative Intensity
54.21550	0.8
55.01877	1.6
55.05511	4.7
57.03420	1.4
60.04531	100.0
67.05511	11.4
69.07082	5.3
70.02943	2.5
70.06606	6.5
70.44026	2.9
71.05000	7.3
71.18236	0.8
79.05499	7.2
81.07063	37.2
82.06590	0.9
83.04977	3.3
83.08604	3.0
84.04487	1.3
84.08121	1.3
85.06535	3.2
88.03995	17.2
91.05483	11.5
93.07044	8.0
95.05021	1.4
95.08610	7.6
96.04488	2.7
97.06522	2.9
99.08071	1.5
105.06380	1.6
105.07040	17.3
106.05039	85.1
107.08588	6.3
108.08198	1.3
109.06525	2.8
113.09646	3.5
117.07058	1.0
119.08595	12.3
121.06516	5.8
121.10159	10.3
122.10914	0.9
123.08121	1.6
123.11703	14.0
124.07600	1.5
127.07528	1.2
133.10118	2.9
137.05934	1.7
137.13303	1.0
138.09123	1.3
147.11697	30.1
149.13304	1.4
150.09082	1.3
152.14374	2.6
161.13330	0.9
165.12767	13.8
165.29552	0.9
175.11183	1.8
183.13823	1.7
193.12239	2.1
206.15433	6.9
224.16460	2.4
227.06651	1.5
229.14352	3.4
234.14899	16.6
243.06178	1.5
252.15976	35.7
255.06108	3.9
257.04608	1.3
262.14453	0.9
270.17029	11.2
271.98398	0.9
272.06305	2.4
272.20081	7.5
280.15466	18.1
286.04498	1.2
298.16507	64.7
300.05798	17.1
301.06567	2.9
302.04227	0.9
316.08990	45.7
316.17520	3.8
316.22757	8.4
316.26086	1.6
317.06506	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	316.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37190	0.9
55.01855	3.4
55.05511	5.8
56.05027	1.0
57.03419	1.3
57.57550	1.1
59.47675	1.1
60.04530	100.0
67.05509	12.4
69.07056	4.9
70.02957	2.6
70.06595	11.9
71.04977	2.0
71.52859	1.2
79.05499	7.5
81.03403	1.9
81.06586	2.2
81.07064	38.2
83.04978	3.2
83.08614	4.0
84.04490	1.3
85.06552	2.5
88.03999	51.9
91.05489	13.6
93.07053	10.2
95.04964	1.5
95.08619	8.5
97.06554	3.4
98.06038	1.3
99.08110	1.7
103.05474	2.8
105.07040	20.3
106.05035	99.6
107.08603	6.6
109.02892	1.3
109.06505	3.4
111.08111	1.1
112.99046	1.2
119.04957	2.7
119.08591	16.7
121.06516	26.9
121.10144	11.6
123.11723	12.7
127.03895	3.0
133.10155	3.3
137.05988	1.4
137.13249	1.7
146.05992	1.1
147.04410	4.3
147.11694	32.5
152.14333	10.6
153.01936	1.0
165.12758	16.4
167.03365	2.7
168.03764	2.9
175.03964	2.0
176.04277	2.0
183.13835	2.3
186.51582	1.1
193.12273	2.4
198.96971	1.1
205.84692	1.0
206.15411	3.5
218.11732	1.4
224.16499	3.0
229.14374	4.0
234.14888	16.2
250.08868	1.0
252.15961	35.5
256.06934	3.4
260.10031	2.0
267.15735	1.2
270.17023	13.0
272.20117	33.2
280.15479	13.4
298.16516	55.1
298.19971	2.7
301.06705	3.4
302.00769	1.2
302.04095	1.9
315.04962	1.4
316.09009	55.2
316.17502	19.3
316.22723	39.3
316.25650	1.0
317.06638	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	316.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01875	0.9
55.05504	0.7
55.93527	0.7
56.05024	0.6
57.03435	0.9
60.04515	1.9
60.60907	0.5
61.02917	1.2
63.40527	0.5
67.05491	0.8
69.03425	3.0
69.07069	1.3
70.02961	0.8
70.06593	6.3
71.05000	1.0
72.08164	2.8
73.02888	0.5
79.05496	1.3
80.05009	0.6
81.03411	1.5
81.05799	0.5
81.07064	3.1
82.06579	1.5
84.04499	2.1
84.08138	1.4
84.39928	0.6
85.02914	7.6
86.09707	14.9
87.04461	0.8
88.03985	0.8
91.03951	0.7
91.05487	3.0
93.05793	0.6
93.07041	1.3
94.06544	0.6
95.04954	0.7
95.08588	0.7
96.08143	4.3
97.02897	3.1
97.06546	0.5
106.06580	0.5
107.04961	0.5
108.08119	18.2
109.02898	1.1
109.06517	1.2
110.06039	1.5
110.09656	0.5
116.07108	11.6
118.06559	0.8
119.04919	0.6
119.07339	0.6
121.06548	0.6
123.06808	1.0
124.07597	17.1
124.08483	1.0
126.09146	0.6
127.03926	1.8
128.10703	0.6
129.10222	1.2
130.06552	1.3
136.07587	14.0
137.05995	2.0
138.09106	0.7
139.03941	1.1
143.11948	0.6
145.04933	1.3
149.09593	0.5
154.08635	100.0
166.08656	1.6
169.09689	0.6
170.06099	1.3
171.15019	0.7
173.12907	5.5
178.08612	0.7
182.08235	0.5
183.08066	0.9
184.07677	0.5
196.09698	0.8
199.14539	0.8
199.18077	2.3
201.12404	1.9
207.08086	1.3
227.17601	1.0
229.75302	0.5
253.08685	1.5
257.08148	0.7
270.08145	0.5
270.11230	0.9
299.09164	1.1
316.07999	1.0
316.14484	3.5
317.11890	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	316.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60238	0.2
53.03957	0.2
54.56388	0.2
55.01878	0.2
55.05503	1.3
57.03416	0.3
60.04527	1.5
67.05492	0.6
69.03424	0.5
69.07024	0.3
70.02942	0.3
70.06583	0.5
71.04975	0.2
71.53381	0.3
72.08163	0.4
76.93769	0.2
79.05482	0.9
80.05027	0.4
81.03423	1.4
81.07070	2.5
83.04987	0.5
83.08623	1.0
84.04513	0.4
84.08134	0.5
85.02889	0.5
86.09708	0.7
88.04005	0.5
91.05477	1.0
93.07044	0.9
95.04966	0.7
95.08621	0.4
96.04523	0.3
97.02901	0.3
97.05293	0.4
97.06527	0.2
98.06052	0.7
98.09694	0.3
105.07030	0.7
106.05039	2.8
107.04977	0.4
107.08582	0.3
108.08124	0.5
109.06534	1.5
110.06033	0.5
111.06837	0.5
111.08078	0.3
116.03451	0.2
119.08578	0.6
121.10136	0.5
126.09161	0.9
129.07034	0.4
131.08525	0.4
138.05547	0.3
139.06299	0.9
147.11728	0.2
149.09618	1.0
149.45348	0.3
154.08636	100.0
155.08971	0.3
157.10091	0.4
165.09166	0.2
167.10724	0.2
173.70207	0.2
175.11197	0.5
177.09134	0.9
185.16522	0.3
193.12291	1.6
195.10167	1.4
208.13383	0.7
209.06302	0.5
211.13295	4.3
226.14342	1.0
227.07483	0.5
244.15465	0.4
254.13908	0.5
270.11499	0.6
272.14941	1.5
280.19070	0.3
299.09579	0.7
316.12061	2.3
316.17535	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.7
53.22982	4.2
55.01869	23.0
55.05519	42.0
57.03434	35.1
57.07084	6.7
58.99583	6.0
59.04998	4.0
61.02916	14.7
67.05501	21.0
69.03441	45.1
69.07062	26.1
69.72089	20.6
70.06584	13.2
71.01355	6.0
71.04996	57.6
72.08156	6.0
73.02923	24.5
73.06571	5.8
76.61061	4.3
79.05507	43.0
81.03419	15.3
81.07058	83.3
83.04984	11.0
83.08604	7.4
84.04501	6.0
84.08133	7.7
85.02905	69.1
86.03550	13.3
86.09694	14.2
87.02694	16.6
87.04481	12.5
91.05485	53.9
93.07039	68.8
95.04970	21.3
95.08611	32.1
97.02883	21.5
97.06558	10.3
97.90301	4.3
103.03952	15.8
105.07025	77.9
107.04961	15.1
107.08593	86.8
109.02875	6.2
109.06532	33.5
109.10130	12.6
111.04446	7.1
111.08067	5.8
113.04618	15.4
115.03944	14.9
117.07019	22.4
118.06539	10.1
119.04964	10.9
119.07332	60.5
119.08582	70.2
121.06493	17.5
121.10140	20.4
123.08058	28.7
123.11703	5.2
125.06017	5.5
127.03934	13.6
128.06250	8.7
129.05495	9.1
129.06998	7.6
130.07782	6.7
131.08580	35.8
133.04987	29.3
133.06512	12.4
133.10132	12.9
134.05972	11.6
135.06894	8.5
135.08069	16.6
135.09140	10.8
135.11681	28.5
137.05963	18.2
137.09610	9.4
139.11259	5.3
143.08563	21.1
145.06490	11.4
145.10155	38.4
147.08051	35.8
147.11700	17.0
149.09608	21.0
151.11192	18.1
153.05466	16.6
153.12737	19.7
155.08542	5.7
157.10016	4.5
159.08055	15.4
159.11710	17.2
161.09616	9.5
161.13251	9.2
163.07541	6.7
163.11182	17.6
165.07053	10.5
165.12759	100.0
171.08032	7.2
171.11755	9.1
173.09624	34.6
173.13298	13.9
175.07634	8.6
177.12778	24.9
183.08156	6.2
183.11728	8.4
187.11278	5.7
189.12784	18.2
191.10651	15.8
193.12094	5.8
195.08119	6.0
201.09135	5.8
201.12796	14.3
205.64848	4.7
207.08115	8.3
207.13814	8.8
217.03984	23.1
219.13840	18.0
223.07547	8.2
226.08827	4.8
231.13844	17.8
243.13861	10.8
252.10185	12.3
254.11789	10.8
261.14877	28.2
265.08646	7.8
269.12836	27.4
279.15976	17.7
283.09787	9.5
297.11292	10.6
297.16763	10.1
297.22070	6.6
315.13626	45.0
315.19806	27.5
315.23297	10.8
316.12210	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	315.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.7
53.22982	4.2
55.01869	23.0
55.05519	42.0
57.03434	35.1
57.07084	6.7
58.99583	6.0
59.04998	4.0
61.02916	14.7
67.05501	21.0
69.03441	45.1
69.07062	26.1
69.72089	20.6
70.06584	13.2
71.01355	6.0
71.04996	57.6
72.08156	6.0
73.02923	24.5
73.06571	5.8
76.61061	4.3
79.05507	43.0
81.03419	15.3
81.07058	83.3
83.04984	11.0
83.08604	7.4
84.04501	6.0
84.08133	7.7
85.02905	69.1
86.03550	13.3
86.09694	14.2
87.02694	16.6
87.04481	12.5
91.05485	53.9
93.07039	68.8
95.04970	21.3
95.08611	32.1
97.02883	21.5
97.06558	10.3
97.90301	4.3
103.03952	15.8
105.07025	77.9
107.04961	15.1
107.08593	86.8
109.02875	6.2
109.06532	33.5
109.10130	12.6
111.04446	7.1
111.08067	5.8
113.04618	15.4
115.03944	14.9
117.07019	22.4
118.06539	10.1
119.04964	10.9
119.07332	60.5
119.08582	70.2
121.06493	17.5
121.10140	20.4
123.08058	28.7
123.11703	5.2
125.06017	5.5
127.03934	13.6
128.06250	8.7
129.05495	9.1
129.06998	7.6
130.07782	6.7
131.08580	35.8
133.04987	29.3
133.06512	12.4
133.10132	12.9
134.05972	11.6
135.06894	8.5
135.08069	16.6
135.09140	10.8
135.11681	28.5
137.05963	18.2
137.09610	9.4
139.11259	5.3
143.08563	21.1
145.06490	11.4
145.10155	38.4
147.08051	35.8
147.11700	17.0
149.09608	21.0
151.11192	18.1
153.05466	16.6
153.12737	19.7
155.08542	5.7
157.10016	4.5
159.08055	15.4
159.11710	17.2
161.09616	9.5
161.13251	9.2
163.07541	6.7
163.11182	17.6
165.07053	10.5
165.12759	100.0
171.08032	7.2
171.11755	9.1
173.09624	34.6
173.13298	13.9
175.07634	8.6
177.12778	24.9
183.08156	6.2
183.11728	8.4
187.11278	5.7
189.12784	18.2
191.10651	15.8
193.12094	5.8
195.08119	6.0
201.09135	5.8
201.12796	14.3
205.64848	4.7
207.08115	8.3
207.13814	8.8
217.03984	23.1
219.13840	18.0
223.07547	8.2
226.08827	4.8
231.13844	17.8
243.13861	10.8
252.10185	12.3
254.11789	10.8
261.14877	28.2
265.08646	7.8
269.12836	27.4
279.15976	17.7
283.09787	9.5
297.11292	10.6
297.16763	10.1
297.22070	6.6
315.13626	45.0
315.19806	27.5
315.23297	10.8
316.12210	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	315.094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62011	0.4
52.36724	0.3
53.03939	0.8
55.01870	0.9
55.05506	0.5
56.96301	0.5
56.96569	6.9
57.03436	2.0
58.06601	0.5
59.49791	0.4
61.02928	2.9
69.03438	6.2
69.89822	1.4
70.06580	1.7
70.98109	0.7
71.01385	0.4
71.04984	1.6
72.08160	0.7
73.02938	2.1
75.04451	0.5
81.03431	2.6
84.04494	0.7
84.08137	1.3
84.96019	0.6
85.02914	12.2
85.06528	0.5
86.06049	0.7
87.04459	1.4
91.03941	0.6
95.06091	0.4
97.02283	0.5
97.02898	7.2
98.03180	0.5
98.97593	10.4
99.04462	1.1
100.07626	0.6
101.00862	0.7
102.96855	1.2
103.03999	0.4
108.08115	2.2
109.02846	1.9
109.08466	1.8
110.01386	0.4
110.03548	8.5
110.97569	2.1
112.07583	0.7
112.99130	1.1
113.00871	0.7
113.03473	0.6
115.00748	0.6
115.02440	0.8
116.07098	1.1
116.98635	2.9
118.08607	0.4
119.01857	1.5
119.10138	0.4
120.02583	0.6
122.07147	0.6
124.05076	1.0
127.00744	0.5
127.03944	3.3
128.00194	0.5
128.04501	0.6
128.98573	1.4
129.03928	0.4
130.08600	0.6
131.00200	0.9
131.01854	0.6
133.01715	0.5
133.03520	0.9
134.99608	0.5
136.01447	4.4
136.07614	0.6
138.02536	0.5
140.98605	0.7
141.02232	1.0
142.01810	0.4
143.00169	1.0
143.01930	0.7
144.99834	0.7
145.01720	0.9
145.03407	0.7
145.04964	1.7
145.39104	0.4
146.08170	0.7
146.99597	0.9
148.03836	0.7
152.04694	0.5
152.07063	1.1
153.04083	100.0
154.02510	9.5
154.08630	0.7
157.03499	0.8
158.99757	1.9
159.01308	0.4
159.03297	1.7
159.05034	0.5
161.01175	0.6
161.02914	0.9
161.04665	1.2
163.02757	0.8
163.04442	0.6
164.07080	1.6
168.03471	0.6
169.01747	0.5
170.05048	2.3
172.94328	3.6
173.01263	0.8
173.02914	0.8
175.04536	0.4
176.05020	0.5
177.00633	0.8
177.04346	1.1
179.14540	0.4
181.03728	0.4
182.03333	0.9
183.04172	0.9
185.01265	1.0
185.02908	0.7
186.04424	0.5
187.02823	0.6
187.04541	0.8
189.00635	1.0
189.02332	0.5
190.95412	2.1
195.05170	1.5
201.00777	1.0
203.02274	1.3
203.03992	0.8
204.02707	0.4
205.00220	0.8
206.06863	0.5
209.01001	0.4
210.56354	0.5
212.04480	0.5
215.98366	0.4
219.01830	3.1
219.05244	0.6
221.05353	1.3
229.03883	1.0
231.07082	1.0
232.96425	0.6
233.58403	0.9
234.03922	0.7
234.07654	4.1
234.58778	0.6
237.02823	2.3
239.03624	0.7
245.05124	1.0
246.98094	0.7
251.09569	0.7
254.99808	0.6
255.05986	0.4
257.05142	0.7
257.07803	0.5
264.98874	0.4
272.95966	3.7
273.11099	0.4
290.96997	5.2
295.07138	0.4
297.04599	0.6
297.14755	0.6
314.60519	0.5
315.07068	3.9
315.10046	3.4
315.12872	1.9
315.60529	0.6
316.18857	0.4
321.10336	0.9
333.08676	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62011	0.4
52.36724	0.3
53.03939	0.8
55.01870	0.9
55.05506	0.5
56.96301	0.5
56.96569	6.9
57.03436	2.0
58.06601	0.5
59.49791	0.4
61.02928	2.9
69.03438	6.2
69.89822	1.4
70.06580	1.7
70.98109	0.7
71.01385	0.4
71.04984	1.6
72.08160	0.7
73.02938	2.1
75.04451	0.5
81.03431	2.6
84.04494	0.7
84.08137	1.3
84.96019	0.6
85.02914	12.2
85.06528	0.5
86.06049	0.7
87.04459	1.4
91.03941	0.6
95.06091	0.4
97.02283	0.5
97.02898	7.2
98.03180	0.5
98.97593	10.4
99.04462	1.1
100.07626	0.6
101.00862	0.7
102.96855	1.2
103.03999	0.4
108.08115	2.2
109.02846	1.9
109.08466	1.8
110.01386	0.4
110.03548	8.5
110.97569	2.1
112.07583	0.7
112.99130	1.1
113.00871	0.7
113.03473	0.6
115.00748	0.6
115.02440	0.8
116.07098	1.1
116.98635	2.9
118.08607	0.4
119.01857	1.5
119.10138	0.4
120.02583	0.6
122.07147	0.6
124.05076	1.0
127.00744	0.5
127.03944	3.3
128.00194	0.5
128.04501	0.6
128.98573	1.4
129.03928	0.4
130.08600	0.6
131.00200	0.9
131.01854	0.6
133.01715	0.5
133.03520	0.9
134.99608	0.5
136.01447	4.4
136.07614	0.6
138.02536	0.5
140.98605	0.7
141.02232	1.0
142.01810	0.4
143.00169	1.0
143.01930	0.7
144.99834	0.7
145.01720	0.9
145.03407	0.7
145.04964	1.7
145.39104	0.4
146.08170	0.7
146.99597	0.9
148.03836	0.7
152.04694	0.5
152.07063	1.1
153.04083	100.0
154.02510	9.5
154.08630	0.7
157.03499	0.8
158.99757	1.9
159.01308	0.4
159.03297	1.7
159.05034	0.5
161.01175	0.6
161.02914	0.9
161.04665	1.2
163.02757	0.8
163.04442	0.6
164.07080	1.6
168.03471	0.6
169.01747	0.5
170.05048	2.3
172.94328	3.6
173.01263	0.8
173.02914	0.8
175.04536	0.4
176.05020	0.5
177.00633	0.8
177.04346	1.1
179.14540	0.4
181.03728	0.4
182.03333	0.9
183.04172	0.9
185.01265	1.0
185.02908	0.7
186.04424	0.5
187.02823	0.6
187.04541	0.8
189.00635	1.0
189.02332	0.5
190.95412	2.1
195.05170	1.5
201.00777	1.0
203.02274	1.3
203.03992	0.8
204.02707	0.4
205.00220	0.8
206.06863	0.5
209.01001	0.4
210.56354	0.5
212.04480	0.5
215.98366	0.4
219.01830	3.1
219.05244	0.6
221.05353	1.3
229.03883	1.0
231.07082	1.0
232.96425	0.6
233.58403	0.9
234.03922	0.7
234.07654	4.1
234.58778	0.6
237.02823	2.3
239.03624	0.7
245.05124	1.0
246.98094	0.7
251.09569	0.7
254.99808	0.6
255.05986	0.4
257.05142	0.7
257.07803	0.5
264.98874	0.4
272.95966	3.7
273.11099	0.4
290.96997	5.2
295.07138	0.4
297.04599	0.6
297.14755	0.6
314.60519	0.5
315.07068	3.9
315.10046	3.4
315.12872	1.9
315.60529	0.6
316.18857	0.4
321.10336	0.9
333.08676	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0863
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
55.60833	0.3
68.99792	0.6
69.03434	0.5
70.06532	0.7
70.06905	0.9
71.08286	0.3
79.05475	0.6
81.07066	0.9
85.02871	0.3
86.36529	0.3
91.05479	0.8
93.07053	0.6
95.04977	0.4
95.08601	0.5
105.07030	0.6
107.04948	0.6
109.06515	1.2
109.10168	0.4
115.05396	0.4
119.04962	0.4
121.02882	0.7
121.06446	0.3
121.10199	0.3
123.04430	1.2
130.06540	0.3
131.08580	0.3
131.49023	0.3
133.10130	0.4
134.03651	0.5
135.08026	0.4
137.02367	0.6
137.05978	6.6
138.03104	0.4
147.04417	1.4
148.05180	1.4
149.02309	0.3
149.05951	0.4
152.01048	1.7
161.05975	0.4
162.03029	0.4
163.03857	0.4
163.07527	0.9
165.05484	4.3
167.03381	1.0
173.05951	0.5
178.02623	0.6
179.07033	0.5
187.03830	0.4
189.05486	0.4
195.94676	0.3
197.05994	0.6
199.03928	0.5
201.05507	0.6
203.07234	0.3
212.04774	0.4
213.05521	0.3
215.03401	1.3
215.06995	0.4
225.05501	0.5
226.06256	2.9
227.07057	0.5
229.04947	1.0
229.47906	0.3
231.06448	0.8
237.13623	0.3
239.03407	0.4
240.04106	0.5
242.05815	2.1
243.06609	0.6
253.04956	2.1
254.05742	7.4
255.06573	0.9
257.04477	3.3
259.09634	0.9
269.04504	0.5
270.05255	0.9
271.06082	4.7
272.06885	0.7
281.04495	0.6
282.05243	2.2
283.06030	2.5
283.09515	0.9
284.03162	0.4
285.03973	4.2
286.04730	1.9
287.05447	0.5
297.03979	1.6
299.05511	29.5
300.06293	15.0
315.08624	100.0
316.08990	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0863
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
67.05535	0.4
68.99781	0.8
69.97938	1.3
79.05497	0.4
79.63543	0.3
81.07085	0.4
84.97442	0.3
88.72734	0.3
90.65240	0.3
93.07066	0.3
95.04964	0.4
95.08604	0.4
96.02074	0.4
111.04443	2.3
119.04955	3.3
121.06518	3.1
122.55292	0.3
123.04391	0.6
124.01560	0.4
124.54797	0.3
133.02863	0.7
134.03676	0.6
135.04404	0.8
136.32593	0.3
137.05966	0.8
139.03908	3.2
148.05211	3.7
149.06017	1.2
151.03915	0.9
152.01059	2.5
163.03900	2.3
167.03416	10.8
171.08005	0.6
175.02516	0.6
175.03929	8.2
179.03439	0.4
184.03725	0.5
184.05185	0.7
185.05928	0.4
198.06761	0.4
199.07582	0.9
201.05428	0.6
211.07492	0.4
212.04698	1.4
213.05484	0.7
215.07152	0.3
216.07835	0.5
226.06227	1.1
227.07060	2.5
229.05009	0.9
230.05713	0.8
231.06606	0.6
239.03529	0.4
240.04179	3.8
240.08943	0.5
241.05103	0.3
241.08659	0.6
243.06602	1.8
244.07314	1.2
254.05867	1.8
255.06563	7.7
255.11028	0.6
256.07291	0.4
257.04489	1.7
259.09711	4.8
268.03546	0.4
269.08105	0.7
272.06827	3.4
282.05231	1.8
283.06015	1.7
283.09393	0.7
287.09125	1.8
297.07474	0.8
299.05557	0.4
300.06299	7.5
315.08633	100.0
316.09076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0864
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
51.60872	0.3
55.05502	0.7
56.09769	0.2
57.07071	0.3
59.04995	0.3
67.05498	0.9
68.04501	0.2
69.07072	1.8
69.46221	1.0
69.46649	0.7
71.08642	0.3
78.34671	0.2
79.05482	0.7
81.07063	3.2
83.04972	0.6
83.08617	0.6
85.06536	0.5
91.05490	0.5
92.02634	0.5
93.07038	0.9
95.04963	0.4
95.08628	2.2
96.89697	0.2
97.10183	0.3
98.97589	0.3
105.07024	0.5
107.01298	0.2
107.04960	0.4
107.08573	0.8
109.02878	0.3
109.10159	1.0
111.11739	0.4
119.08591	0.7
120.02108	2.3
121.06493	0.3
121.10165	0.6
123.04420	1.4
123.08072	0.4
123.11697	0.6
127.11186	0.3
128.06186	0.2
131.04936	0.4
131.08618	0.4
133.10120	0.4
134.03674	0.3
134.05956	0.2
135.04399	0.2
135.08072	0.3
135.11679	0.5
137.02339	1.0
137.05975	1.3
137.13290	1.1
138.03111	0.5
139.05434	0.3
147.11653	0.2
148.01559	0.8
148.05174	0.8
149.02365	0.6
151.03918	0.4
151.07474	0.4
152.01050	0.6
152.06229	0.3
153.01814	0.7
153.07025	0.4
153.12810	0.4
155.04858	0.3
155.06044	0.9
156.05742	0.5
161.05983	0.8
163.03938	0.3
163.07492	0.4
164.04730	0.4
165.05458	0.6
165.06940	0.3
166.02628	1.9
167.03392	1.8
167.04866	0.6
167.07202	0.4
167.08501	0.3
169.06371	0.3
169.07649	0.4
170.02090	0.2
173.13269	0.3
175.03896	0.3
178.02753	0.3
179.07065	0.6
181.04932	0.3
182.06017	0.4
183.05659	0.4
184.03700	0.7
184.05214	1.3
189.05515	0.3
195.05569	0.9
195.07858	0.3
195.09387	0.4
197.06020	0.6
198.06696	0.6
199.07584	1.1
200.04613	0.2
201.05489	1.0
205.07652	0.3
208.05080	0.5
209.06001	0.3
211.03908	0.3
211.07698	0.2
212.04782	1.6
213.05159	0.2
213.06726	0.4
215.07018	0.5
216.07738	0.4
222.08037	0.3
223.08640	0.8
225.05467	0.4
226.06197	1.2
227.07014	0.8
229.04739	1.1
237.05461	0.3
239.03415	0.4
240.04164	2.7
240.07866	0.5
241.05058	0.2
242.05798	1.1
243.06572	1.3
244.07329	1.0
251.08211	2.3
253.04979	1.1
254.05807	2.1
255.06471	2.5
255.10197	0.9
257.04501	2.7
259.09808	1.1
265.05075	0.3
266.68170	0.3
267.02802	0.3
268.03708	1.6
269.04416	0.6
269.09290	2.0
270.05234	0.6
271.06076	5.7
272.06848	0.8
279.07645	2.2
279.26920	0.4
281.04431	0.4
282.05313	2.4
283.06073	3.5
283.09637	2.0
285.03946	2.4
286.04739	1.5
287.05493	0.4
287.09180	0.4
297.03864	0.7
297.08765	4.5
299.05524	18.9
300.06314	22.1
301.06888	0.3
315.08640	100.0
316.08945	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0864
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
55.05492	0.3
59.22161	0.2
60.04538	0.3
67.01875	0.4
67.05475	0.3
68.99801	0.3
69.03426	0.2
69.79658	1.1
79.05479	0.5
81.07038	0.2
83.08630	0.2
91.05461	0.4
93.07037	0.5
95.01328	0.5
95.04975	0.3
95.56665	0.2
98.20795	0.2
105.07053	0.2
106.61672	0.2
109.06510	0.7
111.04487	0.2
119.04929	0.2
121.06515	1.0
123.04441	1.4
125.02354	0.2
134.03647	13.7
135.04417	0.6
137.02357	0.7
137.05986	10.7
138.03137	2.4
145.10126	0.3
147.04367	0.2
148.05194	0.3
149.05977	0.6
151.03908	0.2
153.05472	0.7
155.03401	0.3
163.03902	2.5
165.05472	0.2
166.02640	2.2
167.03416	18.0
171.49956	0.2
175.03947	0.4
184.03668	1.5
184.05142	0.3
189.05515	0.3
193.04955	1.9
201.05548	0.3
213.05498	0.2
217.04968	0.4
227.07076	0.7
229.04962	0.3
230.05745	0.5
231.06491	1.1
240.04175	2.2
243.06602	1.1
244.07303	0.6
253.04971	0.5
254.05748	0.5
255.06535	2.8
256.07144	0.4
257.04367	0.5
259.09692	4.1
268.03876	0.5
271.06079	0.6
271.09677	0.7
272.06738	1.1
282.05295	1.5
283.06036	7.4
285.07465	0.3
287.09180	1.9
297.07684	0.7
299.05511	4.2
300.06296	7.5
315.08624	100.0
316.09109	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1963
Annotation	Heleurine N-oxide
Peak:m/z	Relative Intensity
55.01868	0.6
55.05516	1.1
63.09417	0.3
67.05513	1.3
68.05015	1.5
69.05805	1.9
69.07082	0.4
70.06596	36.2
71.04993	3.2
76.95465	0.3
79.05499	1.2
81.03430	0.4
81.07057	1.2
82.06578	0.8
83.05013	0.5
83.07360	2.4
83.08638	0.5
84.08139	1.2
85.02948	0.4
86.06081	0.4
91.05501	0.5
93.06548	0.2
93.07018	1.5
95.08615	0.6
96.08134	0.9
97.06511	0.4
98.06063	0.9
98.09734	0.3
99.04477	0.4
100.07596	0.4
105.07017	0.4
107.04969	0.4
107.08605	0.9
108.08094	0.4
109.06583	0.3
110.06030	0.3
111.04444	1.3
111.08109	0.5
119.08559	0.6
121.10166	1.2
124.07571	0.3
131.08586	0.3
135.11681	1.0
140.07065	0.5
142.08690	1.6
145.10127	0.7
147.11610	0.3
149.09653	0.4
153.01779	0.3
153.12752	0.3
158.08115	0.5
163.11247	1.3
181.12256	0.6
191.10721	0.3
200.56033	0.3
201.05397	0.3
212.04759	0.5
213.49152	0.2
226.17992	2.5
227.12874	0.7
228.95308	0.3
229.04843	0.5
236.16493	3.7
240.04147	0.8
254.17523	45.0
255.06458	0.4
255.17451	0.3
268.03769	0.6
268.66272	0.3
278.17520	0.9
285.03943	0.7
296.18585	6.4
300.06308	5.4
314.19608	100.0
315.05130	0.9
315.08603	10.8
315.12402	0.5
315.19925	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.6
55.01871	1.0
55.05502	0.8
57.03439	0.9
58.86758	0.6
61.02918	2.2
65.95004	0.6
67.05522	0.7
69.03428	2.7
69.07067	0.6
70.06590	1.4
71.08601	0.7
71.15439	0.7
71.44966	0.6
72.08163	4.0
73.06559	51.0
81.03457	1.2
81.07030	0.7
84.08131	0.9
85.02911	11.4
89.06039	22.0
91.03995	1.0
91.05500	1.0
93.07069	1.0
97.02898	4.4
98.97596	0.7
99.04485	0.6
105.07042	0.7
107.04981	0.8
107.06059	0.5
108.08118	0.7
109.02853	1.8
110.07172	1.1
111.41869	0.7
116.07069	2.1
117.09143	5.2
121.02881	1.0
123.04453	1.5
124.07643	1.3
127.03928	2.0
129.65407	0.6
134.06044	0.9
135.10175	100.0
136.06178	1.1
138.05540	0.7
145.04965	2.1
152.01646	2.9
152.07074	6.5
153.06552	1.2
171.14955	0.8
173.06020	1.0
175.21361	0.6
180.34648	0.7
215.07109	0.9
219.06541	0.7
279.08762	1.0
314.12354	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
55.01874	0.4
55.05519	0.8
56.05036	0.4
56.96566	3.3
57.03437	1.5
58.06600	0.7
60.95864	0.2
61.01157	0.6
61.02925	1.0
62.06091	3.1
67.00939	0.2
67.01885	0.2
67.04208	0.2
67.05505	0.5
68.05035	0.8
69.03435	3.3
69.34252	1.7
70.03776	0.3
70.06600	1.4
70.98135	0.3
71.04996	0.4
72.08157	0.5
73.02930	1.3
73.06552	0.5
75.02715	0.3
79.05517	0.3
81.03429	1.3
81.07054	1.6
83.04984	0.3
84.08151	0.5
84.96032	0.5
85.02908	4.3
86.03243	0.3
86.09727	0.2
86.99062	0.2
87.04470	0.6
87.41077	0.2
88.07633	0.5
90.05557	0.2
91.03957	0.4
91.05470	0.4
93.05766	0.3
93.07058	0.3
95.06094	11.8
95.08594	0.3
96.04520	0.3
97.02894	41.8
97.06535	0.3
97.07625	0.5
98.01315	0.2
98.20803	0.5
98.96935	0.4
98.97585	7.3
99.04473	0.5
99.97943	0.3
100.12121	0.2
103.03968	0.2
106.06512	0.4
108.08125	6.1
109.02894	0.9
110.07168	0.7
110.97580	0.8
111.05563	0.4
111.08117	0.2
112.07631	0.4
112.99166	0.3
114.05659	0.3
115.03911	0.3
116.07089	0.4
116.98624	2.5
117.05488	1.0
119.01742	0.5
119.03548	0.7
119.04969	0.3
120.64793	0.2
122.30630	0.2
123.06811	0.6
123.93823	0.2
124.07586	1.0
124.99107	0.3
127.03935	1.7
128.98598	0.7
130.08626	0.4
131.00127	0.4
134.06015	1.0
134.09685	0.3
135.05473	0.5
135.06535	0.8
136.06189	100.0
137.04591	0.6
138.05518	0.8
139.03860	0.5
140.00130	0.2
140.56921	0.2
143.00159	0.6
143.01662	2.1
143.45828	0.2
144.10188	2.9
145.01779	0.4
145.04971	0.8
146.04070	0.4
147.03311	0.4
147.04430	0.9
148.06157	0.5
151.12303	1.0
152.07068	4.4
152.10707	1.0
153.04005	0.5
154.08694	0.3
155.04599	1.4
156.03413	0.4
158.99648	1.9
161.01390	0.4
161.02733	1.7
161.04636	0.7
162.07843	0.4
164.02412	0.2
164.05699	5.1
164.07013	0.3
168.03430	0.5
170.99660	0.7
173.01189	0.4
174.04378	0.3
175.02866	0.3
175.04408	0.6
177.00745	1.1
177.04167	0.4
178.07260	2.3
179.03749	2.2
184.05003	0.4
186.04393	1.1
187.54138	0.4
188.05244	0.3
189.00732	0.4
189.04286	0.3
193.13374	1.5
196.05334	0.2
196.54654	1.5
197.05698	0.7
201.00719	0.5
204.05412	0.4
205.03677	0.3
211.14417	9.0
217.05620	0.5
219.01836	1.6
223.55786	0.3
227.06671	0.5
229.04851	0.6
230.98183	0.3
231.01732	0.4
232.08374	0.6
232.57758	0.7
233.06566	0.5
233.08467	1.1
237.02808	1.2
247.01578	0.2
248.07803	0.7
248.99129	1.2
250.09406	0.5
252.20734	0.9
255.26788	0.3
256.07077	0.3
261.12112	0.2
266.43723	0.2
267.00256	0.6
268.56839	0.3
269.05695	0.3
270.21765	7.7
278.07104	0.6
290.94727	0.4
291.00238	0.3
291.03870	0.3
291.07562	0.3
296.08093	3.8
296.16629	0.2
296.19763	0.8
298.10605	0.4
304.57974	0.3
309.08524	1.0
313.60324	1.1
314.03732	0.7
314.09158	10.3
314.12323	7.6
314.16885	0.7
314.20724	6.4
314.27951	0.2
314.61899	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2375
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03944	2.0
55.01865	5.1
55.05518	16.3
57.03421	5.9
57.07066	5.7
57.37082	1.7
58.07359	1.7
67.05505	34.3
69.03407	2.1
69.06732	1.8
69.07075	21.5
71.04991	5.0
71.08624	2.3
79.05493	18.7
81.03416	3.6
81.07059	29.4
83.04995	4.3
83.08614	6.9
85.06544	3.1
86.72990	1.8
91.05489	14.0
93.07048	25.6
95.04945	4.8
95.08614	100.0
97.06567	8.7
97.10179	5.2
99.08092	3.5
105.07047	14.3
107.08599	14.7
109.06525	1.9
109.10155	14.1
111.08071	4.2
113.09653	38.5
113.43597	1.9
117.07011	2.9
119.08641	8.4
121.10163	13.8
123.11727	3.5
125.09626	3.0
129.07045	2.6
129.09099	3.8
131.08562	4.5
132.01114	4.0
133.10123	7.8
135.11700	10.0
139.11172	4.5
145.10091	4.2
147.11676	7.5
149.09608	3.5
149.13242	5.6
151.11195	2.5
154.49312	1.7
157.10088	1.9
159.11693	4.1
165.12766	2.0
171.11702	3.6
173.13277	2.6
175.11079	2.2
177.12837	2.9
189.12735	2.0
193.12219	2.2
195.13710	2.2
207.13852	2.0
209.11601	2.0
210.12025	4.1
211.12151	4.6
226.72575	1.8
238.11569	1.9
239.11742	8.0
257.12631	1.9
259.20584	6.3
277.21619	25.2
288.25757	2.0
295.22614	6.4
313.21396	2.6
313.27365	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	313.2375
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03952	4.4
55.05500	12.5
57.03428	5.0
57.07066	12.7
67.05510	20.8
69.07065	13.4
71.05002	5.2
71.53540	5.0
79.05489	14.4
79.63228	2.6
81.03409	8.9
81.07069	24.2
83.05000	3.2
83.08617	7.5
85.02910	6.0
85.10174	11.3
91.05479	11.9
93.07048	15.3
95.04952	11.0
95.08628	16.1
97.06569	4.2
97.10157	6.6
105.07011	9.7
107.08641	14.1
109.06572	4.1
109.10161	15.1
113.09699	4.4
114.88426	3.0
119.08576	9.0
121.06557	4.1
121.10088	6.5
123.08072	3.0
123.11681	3.1
129.07018	3.0
133.10135	9.9
135.11694	6.0
140.09688	3.5
143.08531	4.0
145.10130	5.9
145.48984	3.5
147.11829	3.1
151.11177	7.3
151.51601	2.9
157.10115	3.7
159.11551	3.1
165.12767	9.7
173.13194	4.7
195.13832	3.9
207.13774	3.1
249.22050	3.1
253.12982	4.4
277.21677	31.3
295.22729	100.0
313.07150	7.1
313.10660	8.0
313.21619	10.7
313.27423	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	313.1281
Annotation	Spicatolide C
Peak:m/z	Relative Intensity
50.31613	1.8
53.03947	8.9
53.53192	1.8
55.01871	7.4
55.05514	35.0
57.03438	31.0
65.03950	2.2
66.20688	2.0
67.05510	22.6
68.99812	2.0
69.03431	64.3
69.07071	19.3
71.04995	22.3
71.23450	3.4
78.70857	2.1
79.05491	17.8
81.03419	53.4
81.07066	29.7
81.10505	1.8
81.51076	1.9
81.92390	2.1
82.04195	25.7
83.04983	42.7
83.08613	14.2
83.11239	1.9
85.02899	27.1
85.06529	2.9
87.00827	4.5
91.05490	18.6
93.07045	34.9
95.04976	12.4
95.08609	29.4
95.81634	2.0
97.02894	18.1
97.06563	11.4
97.10157	2.0
99.04459	5.9
99.08113	6.7
102.82793	1.8
105.07016	9.7
107.04922	4.7
107.08598	6.0
109.06504	5.0
109.10172	3.1
111.04447	15.4
111.08085	100.0
113.09638	11.5
115.03867	2.4
115.05434	3.4
117.07026	9.4
119.08624	3.7
121.06503	7.2
121.10157	2.5
123.04426	4.4
123.08080	15.8
127.03905	2.3
127.07540	12.7
131.08592	2.8
133.06519	3.5
135.08055	23.5
137.09592	2.5
139.07544	86.5
141.09111	51.3
145.10126	4.5
147.08086	3.5
149.09618	2.6
151.07556	31.0
161.09579	2.9
163.11188	4.2
165.09174	4.5
167.10728	2.8
173.09683	3.3
174.52332	1.8
191.09114	2.7
191.10608	10.8
196.05972	1.9
207.10219	8.8
209.11740	71.8
227.12685	2.4
230.39249	1.8
253.34554	2.1
295.11765	96.3
313.12756	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	312.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.4
55.05485	1.5
56.05023	0.6
56.30243	0.4
69.03374	0.7
69.07037	1.8
70.06603	3.0
71.04996	8.5
72.08124	0.8
79.05480	2.0
80.04988	1.5
81.03394	0.5
81.07066	2.3
82.06590	0.4
83.08607	0.9
84.04469	0.8
84.08111	1.0
86.09683	0.6
91.05453	1.2
93.07043	3.3
95.08611	2.3
96.08099	0.9
98.06075	2.1
98.09661	1.5
99.04431	0.9
105.07024	0.9
107.08562	1.8
108.08118	13.0
109.08887	0.6
109.10100	0.6
110.09626	1.8
111.08044	0.4
116.07062	1.4
119.08571	0.6
121.10083	0.7
121.58372	0.4
122.09670	8.5
123.10451	2.0
123.11730	0.8
124.11221	0.8
128.07071	0.8
131.08545	0.4
133.08517	0.4
133.10112	0.7
134.09650	0.8
135.11694	2.0
136.11220	2.7
137.05945	0.7
138.06320	0.7
138.12746	0.4
144.06528	0.5
148.11116	0.4
150.12782	16.3
151.13564	6.2
152.14359	10.2
154.15984	0.4
161.05968	0.7
161.13211	0.5
166.12355	0.5
166.15736	0.4
190.15800	0.5
194.15282	0.5
196.09682	2.3
210.14841	1.3
214.14363	1.2
222.18533	0.9
224.12837	1.3
226.14430	0.7
229.07295	0.5
238.14369	3.3
239.15248	0.5
240.15945	0.6
248.08156	0.4
250.18092	2.2
252.10889	0.5
266.17761	0.6
266.21469	0.5
268.19083	100.0
269.19391	1.0
270.20651	2.9
280.10532	0.8
300.74197	0.4
312.21698	87.4
313.22076	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	7.4
57.03444	1.5
59.04999	2.5
61.02926	1.0
64.61433	0.6
69.03432	2.1
70.99354	0.6
71.05018	0.8
71.19816	0.8
71.20174	0.8
72.04545	0.6
72.08195	0.7
73.02898	0.7
73.06559	100.0
79.05504	1.1
81.03403	1.1
85.02912	7.7
88.03986	0.9
91.03952	0.7
93.07033	1.0
94.07389	0.8
97.02904	1.7
105.09148	16.4
108.08125	6.4
109.08456	4.2
112.55081	0.7
115.07601	0.6
120.08114	0.8
127.03915	0.9
131.05008	0.7
133.08614	45.0
134.20737	0.7
135.37399	0.6
137.06128	0.8
145.05006	1.3
145.06528	0.6
150.12794	2.3
151.13190	1.1
164.14380	1.4
165.07846	1.0
165.14738	2.2
166.08220	1.3
168.17528	0.7
173.06073	1.3
191.07123	0.6
208.13376	1.6
209.13736	2.8
222.16927	0.7
223.00520	0.9
224.18431	1.8
238.54813	0.7
251.14798	1.2
267.17123	1.9
268.15152	1.2
268.17447	11.7
312.14594	0.7
312.20166	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	312.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67452	0.5
55.05514	7.6
57.03438	0.9
59.05007	2.8
61.02928	0.8
68.88686	0.5
69.03431	2.1
69.70864	1.4
69.71280	1.6
72.08157	0.7
73.02916	0.6
73.06561	100.0
80.78809	0.5
81.03432	0.7
81.07092	0.7
85.02917	6.4
85.72497	0.5
91.05515	0.7
93.07044	0.6
93.08142	0.5
94.07381	0.6
97.02902	2.3
98.20744	0.8
99.02612	0.5
105.09152	16.9
105.09828	1.1
108.08144	4.7
109.02878	0.8
109.08427	2.6
122.09729	0.7
127.03941	0.9
133.08611	45.9
133.31511	0.6
137.05882	0.5
145.05031	1.3
147.04381	0.5
150.12788	1.6
151.13214	0.6
165.14737	1.5
166.08313	0.9
173.06084	1.1
191.07031	1.0
209.13776	1.3
216.54611	0.6
224.18436	1.0
251.14774	1.2
267.17139	1.2
268.15161	0.9
268.17474	7.3
312.13309	0.6
312.20163	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	312.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	18.9
57.03421	2.0
59.05005	51.4
61.02916	1.2
69.03422	3.3
69.07056	4.4
70.06576	2.2
70.66026	1.1
71.53468	1.9
72.08122	1.5
73.06560	44.6
83.04984	26.0
84.04536	1.3
84.08112	1.6
85.02903	13.2
86.09672	1.4
87.04468	1.4
91.05489	1.3
96.08116	1.4
97.02882	2.8
97.10148	3.5
100.11224	2.8
101.06032	19.4
103.03943	1.4
105.07033	2.0
107.08581	1.4
115.07574	100.0
119.04926	1.1
122.06079	1.3
124.07596	1.2
127.03898	2.4
132.08072	2.0
133.08614	85.3
133.12315	1.8
140.07063	1.5
145.05009	1.2
150.09059	1.6
150.12781	1.5
151.11128	1.2
168.17508	1.6
174.70969	1.1
223.00523	1.8
229.52780	1.3
293.43085	1.2
312.18256	1.5
312.26398	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	311.2945
Annotation	labd-13-en-8alpha-,15 diol
Peak:m/z	Relative Intensity
55.01880	2.9
55.05516	34.4
57.07084	19.1
58.20121	2.2
63.78717	2.1
64.23689	2.3
66.92326	2.2
67.05235	2.5
67.05516	30.2
69.07074	90.9
71.04980	2.7
71.08624	7.6
71.53110	4.5
78.05259	2.0
79.05499	16.8
81.07065	100.0
83.04994	3.8
83.08625	43.1
85.06557	16.9
85.10178	3.8
91.05478	7.8
93.07053	27.5
95.04962	4.1
95.08614	93.4
96.99009	2.1
97.06561	6.3
97.10172	24.7
99.08121	12.7
100.11279	5.1
103.28589	2.8
105.07021	12.1
107.05023	2.2
107.08595	26.4
109.06523	3.9
109.09470	4.0
109.10165	58.1
111.08115	4.5
111.11705	20.8
113.09649	2.8
117.06957	2.4
119.08572	4.3
121.06470	2.5
121.10165	16.9
123.11715	24.5
125.09611	4.0
125.13309	3.9
133.02908	3.8
133.10162	6.3
135.11696	13.3
137.06001	11.5
137.13206	12.1
139.11118	3.6
145.10106	5.5
147.11676	2.1
149.05963	2.9
149.13274	19.5
151.14856	18.2
153.12779	4.3
155.34546	2.6
157.10101	2.3
161.05960	5.6
163.14847	7.4
165.16422	3.0
167.14439	2.1
173.13226	2.6
177.16415	4.6
179.18060	3.0
187.07578	2.5
191.08603	3.4
205.19626	3.3
207.20950	2.4
219.08066	6.9
236.08037	2.4
242.76669	2.3
247.03700	2.2
251.10619	6.1
275.20029	7.2
275.27246	6.6
279.10138	7.5
293.21240	3.3
293.25104	5.0
293.28378	15.1
311.09274	4.1
311.12762	7.7
311.18384	10.7
311.26447	5.1
311.29553	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	311.2578
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
51.22135	0.5
53.03936	1.1
55.05512	41.1
57.03439	17.9
57.07076	20.7
59.05000	0.7
61.53493	0.5
67.05506	5.9
69.07069	49.4
69.57733	1.5
69.58147	1.6
71.04987	0.7
71.08635	13.3
71.31566	0.5
75.75066	0.5
79.05486	3.4
81.07060	8.6
83.04968	1.7
83.08620	40.7
85.10186	4.3
89.06041	0.5
93.07030	4.5
95.08600	7.0
97.06498	3.8
97.10169	29.0
107.08609	3.9
109.10175	3.1
111.08081	2.0
111.11711	8.0
115.07611	0.6
118.37135	0.5
121.10149	5.0
123.11719	0.7
125.09622	1.8
125.13249	2.3
135.02933	0.5
135.04445	1.0
135.11700	3.4
137.13222	1.2
139.11150	1.0
149.13287	3.0
153.12692	0.7
163.14850	1.2
173.85826	0.5
177.16368	0.7
181.15851	0.5
204.11818	0.5
209.11632	3.4
219.21138	1.5
237.11223	2.3
237.22231	0.9
311.25809	100.0
312.26205	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2581
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03937	1.5
55.01868	0.7
55.05515	41.5
57.03442	17.1
57.07079	20.2
61.47086	0.6
67.05244	0.5
67.05515	6.3
69.07073	47.1
69.13698	0.5
69.41875	3.5
71.04992	0.8
71.08637	11.0
73.02895	1.2
73.06524	0.6
75.67303	0.5
79.05498	3.7
81.07063	7.4
83.04961	1.1
83.08624	37.8
85.06541	0.8
85.10182	4.1
88.04953	0.4
91.05460	0.7
93.07039	4.9
95.08607	6.1
96.98031	0.5
97.06534	3.7
97.10174	28.3
98.20708	1.0
107.08589	3.8
109.10146	2.4
111.08081	1.5
111.11036	0.7
111.11737	7.4
121.10143	6.0
123.11670	1.3
125.09657	1.6
125.13280	2.2
135.04434	0.5
135.11658	3.4
135.25951	0.6
137.13271	0.9
139.11171	0.7
149.13260	1.7
153.12770	0.6
163.14854	0.9
177.16467	0.8
202.98758	0.6
209.11790	1.7
219.21117	1.7
226.20218	0.5
237.11177	1.4
237.22128	0.9
274.80643	0.5
311.25821	100.0
312.26083	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2369
Annotation	14'-apo-beta-Carotenal
Peak:m/z	Relative Intensity
53.03936	8.9
55.01878	3.7
55.05516	18.9
57.03427	7.6
57.07067	9.6
65.03931	3.9
67.05509	34.8
69.07073	57.4
69.18977	16.0
69.19397	6.0
70.71878	1.9
71.04980	3.6
79.05502	23.9
81.03413	5.3
81.07063	40.8
83.04995	2.3
83.08607	14.9
84.74028	2.0
91.05482	38.3
93.07046	100.0
95.04967	59.7
95.08612	92.9
97.06535	31.2
97.10134	6.1
98.21463	4.4
105.04526	2.8
105.07040	70.8
107.08599	54.4
109.06506	11.7
109.10162	32.8
111.11719	4.5
117.07021	14.8
119.05948	1.9
119.08582	71.4
121.06516	19.5
121.09322	3.7
121.10145	54.2
123.08088	17.7
123.11699	18.8
126.02915	2.0
128.06306	2.6
129.06998	4.9
130.07787	4.1
131.08563	21.8
133.10132	36.5
135.04437	2.6
135.08095	14.9
135.11678	17.5
137.09599	3.4
137.13263	5.0
142.07796	6.3
143.08580	12.0
144.09329	4.0
145.06487	2.6
145.10127	42.8
147.11664	19.9
149.09653	4.4
149.13229	8.5
155.08577	4.9
156.09299	3.0
157.10138	28.4
159.11703	51.5
160.12486	2.4
161.09651	10.3
161.13202	12.6
163.11137	3.9
163.14946	2.4
167.08542	4.1
169.10164	10.8
170.10861	4.3
171.11678	13.9
173.09650	3.7
173.13248	7.5
175.14865	15.5
177.16389	23.5
181.10020	3.0
182.10901	3.1
183.11703	5.8
185.13255	8.7
187.11238	6.5
187.14841	7.3
189.12840	2.4
189.16423	14.0
195.11732	2.6
197.13268	7.6
199.14790	4.4
201.16405	11.5
203.17946	4.6
209.11639	4.6
209.13351	5.4
211.14806	5.9
213.16414	5.2
215.14383	2.4
215.17964	11.2
219.17392	6.1
223.14844	4.4
225.16327	3.4
227.17975	3.7
237.11287	2.9
237.16370	6.8
241.19481	3.5
255.21155	6.1
267.21152	3.4
293.22595	6.1
311.23383	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	311.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.6
55.01861	6.8
55.05502	4.6
57.03434	1.2
57.07080	29.4
57.13816	1.0
62.91780	1.1
67.05505	20.9
68.99789	1.4
69.03442	2.3
69.07060	4.4
69.18001	1.1
70.06591	1.2
71.01341	1.4
71.05003	6.4
71.08624	1.8
71.17840	2.3
73.06527	1.2
79.05499	11.1
81.03409	2.0
81.06590	1.5
81.07063	26.7
83.04979	10.3
83.08632	3.2
85.02908	9.5
85.06538	2.4
91.05486	9.9
93.07052	12.0
95.04963	3.4
95.08601	8.0
97.06543	6.0
98.71251	1.4
99.04467	1.8
99.08092	2.8
105.07029	14.0
107.04958	4.3
107.08599	16.4
109.02875	4.5
109.06535	3.0
109.10162	19.9
111.04448	19.0
111.08043	2.3
117.07005	1.9
119.08602	5.1
121.10153	3.1
123.08082	1.5
123.11694	3.7
125.06004	8.1
125.09636	1.7
127.07548	1.8
131.08545	3.0
133.10143	28.4
135.04434	2.9
135.11665	3.1
137.09592	2.3
141.09109	1.5
145.10158	3.5
147.11751	1.8
149.02342	2.0
149.09631	5.0
149.13203	2.4
151.11211	15.1
153.05479	19.2
159.11682	1.7
163.03929	1.3
163.11174	5.7
165.09027	2.1
169.12233	4.3
171.11691	1.3
173.13142	1.4
181.04951	4.2
181.12241	7.7
191.10678	14.1
193.04980	5.9
195.13802	9.5
207.54875	1.1
209.11748	100.0
215.12746	2.2
219.10271	1.5
223.13300	1.5
237.11230	87.9
238.11411	1.3
255.12285	24.6
257.19028	1.7
275.20071	14.2
293.17499	9.5
293.21130	14.4
311.18628	10.0
311.24744	10.2
311.74710	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2219
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01868	5.1
55.05515	18.3
57.07084	3.8
67.05506	37.8
69.03436	2.6
69.07066	20.4
71.04992	3.2
71.43939	2.3
75.85585	2.6
79.05507	29.4
80.01858	2.6
81.03442	2.6
81.07063	51.9
83.04985	5.4
83.08639	11.8
83.09048	2.5
85.06557	5.2
91.05491	22.9
93.07039	26.6
95.04999	5.4
95.08607	34.9
96.74975	2.3
97.06530	5.8
97.10181	4.1
99.08092	3.8
100.43906	2.3
105.07034	31.7
107.04947	5.8
107.08607	22.5
109.06538	5.4
109.10159	21.7
111.08093	6.2
117.07050	6.6
119.08581	24.4
121.06502	4.9
121.10153	13.5
123.08051	3.5
123.11728	6.3
125.09629	7.8
129.07001	4.9
131.08553	14.3
133.10136	21.0
135.08080	5.7
135.11685	6.9
137.05980	2.7
137.09633	6.6
143.08545	3.0
145.10210	14.2
145.11145	3.0
147.11691	10.5
149.09651	12.3
149.13252	7.9
151.11240	5.9
157.10201	5.8
159.11694	11.6
161.09683	2.7
161.13249	3.3
163.11208	6.1
169.10191	2.5
171.11664	4.9
173.09785	2.3
177.12766	4.1
180.24362	2.2
189.12820	3.1
195.13730	2.9
216.32790	2.8
229.19592	3.3
239.17957	5.0
247.20587	3.6
257.19049	12.8
265.21591	2.9
275.20081	100.0
286.53647	3.0
293.21143	18.1
311.08978	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	311.2217
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
50.36491	2.2
53.03940	4.8
55.01880	30.4
55.05265	3.9
55.05511	51.4
57.03437	5.8
57.07070	4.5
59.05001	3.4
67.05173	4.5
67.05505	50.3
69.03432	5.0
69.06735	2.4
69.07072	27.0
69.39603	20.0
71.04994	14.4
79.05494	55.6
80.85248	2.7
81.03408	6.5
81.06587	5.4
81.07058	78.1
83.04980	40.4
83.08621	31.1
85.06548	4.3
91.05481	28.5
93.07050	36.6
95.04960	16.6
95.08611	50.6
97.06537	42.6
97.10172	43.6
99.04466	3.6
99.08092	4.3
105.07034	32.9
107.04969	8.7
107.08598	100.0
109.06516	8.6
109.09493	2.4
109.10135	15.8
111.04443	5.8
111.08096	9.5
113.06031	13.0
117.07034	7.0
119.08573	14.5
121.06499	5.8
121.10149	17.8
123.08034	5.9
123.11729	5.4
125.06002	10.9
125.09634	77.7
131.08537	13.9
133.10144	17.8
135.08063	6.7
135.11656	13.8
137.05969	6.2
137.09648	5.2
139.07524	4.3
139.11165	5.8
143.08591	3.3
143.10629	4.4
145.10138	10.7
147.07971	2.7
147.11728	13.1
149.05986	2.6
149.09677	11.9
151.11180	3.6
153.12756	16.0
155.10616	2.7
159.11681	11.4
161.05997	4.8
161.13280	5.0
163.07562	3.6
163.11194	16.5
165.12814	3.0
167.10675	7.0
169.10097	3.6
171.10210	4.6
171.17453	2.3
173.13290	3.1
173.19086	2.4
175.11046	2.6
177.12761	9.9
181.12172	9.0
182.11444	2.4
185.70647	2.4
187.11185	5.9
187.14824	2.4
189.11227	33.0
189.12770	3.9
193.12308	3.0
195.13899	5.9
205.12357	5.8
211.13300	5.6
213.14853	7.7
219.17274	2.3
223.13272	17.1
229.19435	2.9
239.17953	2.7
241.14406	4.9
247.20625	4.6
251.16486	4.1
257.18954	7.6
275.20056	89.2
275.65930	2.5
293.21112	84.8
311.12537	2.6
311.22330	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03940	4.2
55.01876	9.0
55.05513	15.5
57.03427	3.0
57.07072	7.5
65.03931	1.8
67.05507	37.8
69.03424	2.9
69.07069	17.2
71.04995	3.8
71.08621	1.6
71.29930	1.1
79.05500	18.1
81.03426	3.4
81.07065	35.7
83.04981	8.9
83.08634	9.5
85.02887	2.3
85.06551	6.0
85.10177	3.6
91.05486	25.0
92.02634	1.2
93.07053	23.1
95.04976	12.0
95.08614	19.0
97.02902	2.1
97.06537	3.9
97.10160	4.4
99.04461	2.2
99.08102	2.6
105.07043	20.7
106.07362	1.1
107.04950	5.0
107.08588	20.4
109.06515	3.7
109.10163	32.7
111.04439	9.2
111.08076	2.5
113.09656	2.8
117.07024	4.7
119.08588	10.4
121.06509	4.6
121.10133	8.8
123.04434	1.5
123.08078	4.6
123.11722	7.4
125.05986	2.7
125.09643	4.5
127.07641	1.8
129.07030	1.3
131.08589	6.8
133.10147	29.9
135.04430	100.0
135.08008	2.5
135.11728	7.7
137.09604	6.3
141.09181	1.4
143.08626	1.4
145.10133	7.1
146.07278	2.7
147.08011	2.3
147.11690	4.1
149.09659	6.4
149.13292	3.2
151.11191	24.0
153.05461	2.7
153.12769	3.2
157.10144	1.7
159.11670	3.2
161.09630	43.4
163.11221	5.4
165.09137	2.7
165.12714	1.8
167.10680	2.0
169.12239	6.5
173.13268	2.0
177.12766	3.2
179.10730	2.7
181.12250	2.8
191.10649	2.8
195.13760	1.3
209.11758	15.8
215.12761	2.3
223.13234	2.1
229.19588	2.7
237.11244	13.5
239.18010	1.8
247.20615	7.7
255.12303	3.9
257.18985	4.6
265.21652	3.2
275.20074	31.4
293.21124	55.1
311.16406	3.2
311.22559	2.8
311.25934	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	311.2218
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.03938	5.1
55.01867	7.9
55.05269	2.5
55.05515	32.5
56.96566	4.0
57.03438	11.6
57.07077	24.4
59.05006	3.1
67.05177	3.3
67.05507	47.8
69.03426	4.9
69.07071	33.6
70.67825	4.8
71.04993	8.0
71.08630	9.1
74.87479	2.0
79.05502	27.2
81.03413	6.3
81.07064	48.2
83.04992	11.1
83.08629	28.4
85.06548	5.2
85.10178	4.8
90.25883	2.1
91.05487	26.4
93.07051	30.5
95.04964	13.3
95.08611	38.4
97.06536	9.2
97.10167	13.4
99.08068	2.7
105.07038	25.7
105.25595	1.9
107.04982	7.7
107.08591	29.1
109.02884	2.9
109.06540	4.6
109.10164	34.6
111.04429	19.5
111.08058	7.2
111.11744	5.0
113.09631	2.6
117.07000	6.2
119.08611	15.2
121.06512	8.2
121.10149	18.2
123.08054	6.8
123.11704	8.4
125.05978	5.0
125.09634	8.1
131.08580	11.9
133.06532	3.0
133.10135	24.5
135.04387	2.2
135.08017	5.8
135.11678	16.0
137.09651	9.2
138.98851	2.0
143.08519	4.2
145.10158	10.5
147.10652	2.3
147.11665	11.1
149.09627	12.9
149.13268	4.9
151.11150	9.0
153.05463	8.2
153.12782	4.7
157.10133	3.2
159.11687	6.4
161.09659	3.2
161.13272	3.6
163.11180	10.1
165.09140	2.7
165.12788	2.8
167.10654	5.2
169.12302	2.6
173.13295	4.4
175.00650	2.5
175.11182	2.5
177.12788	4.2
181.12187	5.6
191.10706	6.5
195.13773	3.5
205.12288	2.7
209.11739	51.4
212.14116	2.5
223.13297	4.5
229.19510	2.4
229.46301	2.0
237.11241	35.7
239.18100	4.2
247.20580	11.3
251.09486	2.9
255.12256	11.5
257.19016	6.6
265.21667	6.9
269.10651	12.0
275.20099	90.2
287.11780	2.9
293.21115	100.0
311.25989	23.0
323.50943	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	311.2218
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01868	10.4
55.05523	29.3
57.07073	23.2
65.03935	4.6
67.05508	60.3
69.03439	28.8
69.07070	26.4
70.97279	7.8
71.05006	9.7
79.05508	41.3
81.06586	6.6
81.07065	96.8
83.04968	12.0
83.08608	17.1
85.02935	5.4
89.06038	4.7
91.05502	39.5
93.07047	45.6
95.04950	13.2
95.08621	49.3
97.06556	11.0
99.08094	7.8
100.80474	4.3
101.79839	4.1
105.07053	42.3
107.04957	9.7
107.08605	37.4
109.06535	11.5
109.10172	29.3
111.04454	15.1
111.08064	8.2
117.03168	5.0
117.06997	12.4
119.08594	39.1
121.10156	25.0
123.08067	16.2
123.11710	9.5
131.08556	19.6
133.10133	43.8
135.11703	16.3
137.09627	7.6
145.10141	18.3
145.12300	5.0
147.11690	23.9
149.09625	12.2
151.11122	10.6
153.05489	11.8
157.10197	7.0
159.11681	10.9
163.11208	11.4
165.12715	6.0
171.11758	5.1
173.13264	8.0
181.12177	6.0
193.12167	6.9
196.62708	5.7
209.11754	75.6
223.13333	5.6
235.16917	20.6
237.11263	71.7
239.17958	9.4
255.12387	17.6
257.18951	12.8
263.20169	5.2
275.20096	100.0
293.21027	29.6
311.18713	7.6
311.25195	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	311.2214
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03943	3.5
55.01881	10.6
55.05514	28.5
57.03434	7.3
57.07074	19.4
67.05178	4.1
67.05511	49.8
67.05874	2.6
69.03432	5.8
69.07063	30.3
69.60704	1.9
69.65150	3.4
69.65565	8.1
70.06570	2.0
71.04983	5.1
71.08611	2.1
79.05065	2.7
79.05497	35.0
81.03400	3.2
81.07061	84.1
83.04980	12.7
83.08623	16.3
85.02902	3.0
85.06548	5.2
85.51478	1.9
91.05489	39.2
93.07056	38.0
94.07357	2.4
95.04960	8.8
95.08622	40.0
97.06519	9.9
97.10189	3.6
99.08058	2.4
105.07039	34.2
107.04955	8.5
107.08607	27.9
109.06516	15.2
109.10156	26.1
111.04426	11.4
111.08079	8.2
117.07037	10.0
119.08595	35.0
120.08925	3.3
121.06513	7.3
121.10153	21.2
122.77461	1.8
123.08092	11.5
123.11720	9.8
125.05951	4.9
125.09590	5.1
127.07512	2.2
129.07014	5.4
131.08589	14.6
133.10144	34.0
135.08060	7.1
135.11710	14.3
136.12094	2.2
137.06027	2.7
137.09622	6.0
137.13202	1.9
141.07057	2.7
143.08545	3.6
145.10133	16.3
147.11700	15.9
149.09639	16.6
149.13274	4.5
150.01433	2.2
151.11174	6.1
153.05513	10.5
157.10123	6.2
158.95625	2.0
159.11693	11.5
161.09627	2.7
161.13271	6.0
163.11159	14.3
165.12694	3.0
171.11681	4.2
173.13264	5.9
175.11221	2.2
175.14850	2.5
177.12773	4.7
180.34140	2.5
181.04889	2.4
181.12257	9.4
183.11647	2.1
185.13208	2.6
187.11249	2.3
187.14850	2.7
191.10681	12.1
191.14220	2.2
193.05025	3.4
195.13831	2.7
197.13228	3.1
201.16356	2.3
206.15334	2.2
209.11749	65.6
213.16510	2.7
223.13252	4.7
229.19661	4.3
235.16930	4.2
237.11227	47.9
239.17973	7.7
247.20609	5.0
251.20175	7.3
251.46596	2.0
255.12276	14.2
257.19046	14.0
263.20001	3.6
265.21457	4.8
275.20068	100.0
276.20511	3.2
293.17490	5.2
293.20956	40.5
311.18494	6.7
311.22223	5.0
311.25644	40.0
311.74707	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	311.2217
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
50.68303	0.4
53.03947	0.5
55.01862	2.4
55.05513	10.8
57.03424	0.7
57.07074	3.9
65.03940	0.5
65.67255	0.5
67.05177	0.6
67.05502	6.5
69.03423	0.9
69.07072	4.1
69.87103	1.5
71.04985	0.5
71.08633	8.6
73.02934	0.5
79.05492	4.6
81.03415	1.0
81.07054	7.5
83.04980	2.0
83.08620	4.6
85.06539	1.0
91.05469	2.7
93.07050	4.1
95.04958	3.3
95.08612	2.8
97.06512	0.6
97.10174	8.2
98.21617	0.6
99.08086	3.7
101.05982	0.6
105.07021	2.9
107.04939	1.7
107.08602	4.4
108.05763	0.5
109.06507	1.5
109.10160	2.4
111.04441	3.6
111.08057	0.7
117.07027	1.4
119.08569	1.4
121.06502	4.1
121.10144	1.8
123.08021	0.8
125.06026	1.0
125.09637	4.7
129.05486	0.5
131.08563	1.4
133.06453	0.4
133.10135	1.5
134.10471	0.5
135.04419	0.8
135.07985	0.9
135.11783	0.7
136.62660	0.4
137.09653	0.6
139.11180	0.4
145.10115	1.1
147.11737	0.7
149.13312	0.7
151.11189	1.7
153.05458	2.1
153.09094	0.7
157.10117	0.7
161.09622	0.4
163.11166	1.0
164.12007	0.6
165.12717	0.6
177.12721	1.7
181.04987	0.7
181.12222	0.7
189.11186	2.6
191.10674	1.9
202.92032	0.5
209.11731	11.4
211.13438	0.6
219.73087	0.4
223.13449	0.5
237.11221	10.5
237.14813	0.8
247.20551	1.2
255.12257	2.4
257.19052	0.8
275.20081	5.6
293.21103	100.0
294.21350	0.7
311.18497	0.9
311.24487	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	Gallicynoic acid D
Peak:m/z	Relative Intensity
53.03948	0.7
55.01860	3.3
55.05512	4.7
57.03458	1.1
57.07079	28.9
62.94333	0.5
65.03957	0.6
67.05508	6.9
68.58457	0.5
68.99805	1.2
69.03434	6.7
69.07072	3.1
70.06607	2.7
70.65435	1.3
71.01377	1.2
71.05016	1.0
71.08653	1.9
73.02924	0.6
75.45387	0.4
79.05500	4.8
80.08566	0.4
81.03442	1.2
81.07064	9.5
83.04980	6.9
83.05392	0.6
83.08615	2.4
85.02905	0.9
85.06554	0.7
88.07648	1.2
89.06051	0.7
91.05490	4.9
91.76733	0.4
93.07047	5.5
95.04961	3.7
95.08623	5.4
96.69462	0.5
97.02930	0.7
97.06548	3.3
97.10188	1.4
99.08119	1.2
101.02421	0.6
102.09201	1.1
105.07035	4.8
107.04956	2.8
107.08611	5.0
109.02898	3.8
109.06536	1.6
109.10148	4.5
111.04444	19.9
111.08083	2.4
117.07046	1.4
119.08575	4.3
121.06532	1.7
121.10144	4.7
122.09688	0.7
123.04484	0.7
123.08094	1.4
123.11740	1.5
125.06007	6.4
125.09642	1.4
126.18883	0.5
127.07588	1.1
128.06236	0.6
129.07011	1.4
131.08591	2.1
133.10147	4.0
135.04410	3.9
135.08110	1.1
135.11711	2.2
137.09642	1.2
139.07623	0.7
141.09081	0.9
142.07799	0.6
143.08551	0.8
145.10130	4.0
147.08034	0.5
147.11682	2.5
149.01251	0.9
149.02335	3.6
149.09628	3.0
151.11218	1.2
153.05475	18.4
153.12790	1.0
155.10814	0.5
157.10097	0.9
159.11674	1.2
161.09560	0.7
163.03906	1.0
163.11209	5.8
165.09151	0.6
171.11664	0.5
173.13266	1.0
175.07533	0.9
177.12726	0.5
181.04971	4.2
181.12256	8.3
189.11221	1.1
191.08932	0.8
191.10683	12.9
193.04974	8.3
193.08633	1.3
195.10223	0.7
196.62521	2.6
199.14905	0.7
200.20119	1.6
209.11740	100.0
210.12111	0.5
211.62581	0.6
219.10167	1.6
223.13300	2.2
224.65642	1.6
235.16974	5.6
237.11232	84.5
238.11525	0.7
255.12289	23.7
256.26202	1.1
257.19055	1.1
275.20108	8.2
283.05981	0.5
293.17426	9.1
293.21066	5.9
311.18793	9.6
311.24869	22.8
311.74722	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	311.1967
Annotation	3beta,4alpha-Dihydroxy-13beta-methoxylupanine
Peak:m/z	Relative Intensity
55.01888	0.9
55.05510	1.9
56.05019	0.8
56.37343	0.8
67.05503	1.7
69.72698	3.0
70.02972	1.0
70.06578	0.9
72.04518	4.6
73.06547	2.3
79.05499	2.5
80.05006	2.1
81.07054	2.4
82.06586	1.9
87.05592	2.5
91.05473	1.5
93.07068	6.4
94.06570	1.3
95.08598	2.0
98.09724	1.0
105.07022	2.5
107.08586	3.9
108.08125	61.9
109.06510	1.1
109.10178	1.3
110.09676	1.9
119.08582	1.7
121.08898	4.7
122.09665	10.0
123.10471	1.0
124.07569	0.9
133.08623	1.4
133.10078	2.0
134.09637	2.3
135.10603	1.5
135.11697	7.8
136.11230	4.1
137.05951	3.8
137.13287	1.1
140.52133	0.9
141.10211	0.9
148.11278	0.9
150.12787	18.5
151.08690	2.0
151.13556	5.2
152.14351	2.9
153.12764	0.8
155.04845	0.9
161.13293	1.6
162.12794	3.7
164.14362	25.9
165.07880	17.1
166.08664	1.7
166.15897	3.2
174.28300	0.8
176.14297	1.3
178.15944	2.8
179.11794	1.4
187.07515	0.8
190.12268	1.2
191.08562	1.9
195.07695	1.0
204.13803	0.8
206.15430	1.7
208.13341	28.7
210.14893	6.1
213.12303	1.4
217.89775	0.8
219.08014	1.6
221.16556	5.6
223.18054	13.1
223.20174	1.0
249.16037	3.5
249.19664	1.5
250.14421	11.8
251.10667	2.3
252.15994	1.5
267.17053	100.0
269.18628	2.7
279.10040	2.1
293.18582	1.9
294.17032	2.0
304.36847	0.9
306.18661	0.8
308.10541	0.8
311.19662	97.0
312.20087	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.0
56.05037	0.9
67.05482	1.5
68.05021	0.6
69.07055	1.0
70.00395	2.7
70.06606	0.9
71.04990	1.0
72.04536	4.8
79.05491	3.2
80.05018	2.3
81.07059	2.7
82.06584	0.8
84.04497	1.0
84.08138	0.8
85.02914	0.8
87.05582	1.3
91.05482	2.2
93.07049	6.4
94.06560	0.8
95.08624	2.1
96.08138	1.0
97.02924	0.7
97.04010	1.8
98.09692	0.8
98.20736	0.7
105.07033	4.9
106.06523	0.7
107.04961	1.8
107.08634	3.4
108.08130	50.7
109.10176	0.7
110.06024	0.8
110.09677	1.3
111.22221	0.6
119.08588	1.3
120.08097	1.0
121.06528	0.8
121.08918	5.1
121.10170	1.0
122.09682	6.9
124.07598	3.2
131.04880	1.2
133.02847	5.2
133.06453	1.8
133.10147	2.3
134.09662	2.1
135.10609	0.8
135.11694	8.5
136.11221	3.4
137.05989	7.8
141.10229	0.9
143.04529	2.6
149.05978	0.7
149.10762	0.7
150.12799	15.8
151.08667	1.0
151.13530	3.9
152.14401	3.2
153.12761	0.6
158.71326	0.6
159.08029	1.1
161.05934	3.1
161.13226	1.7
162.12837	2.0
164.14365	20.8
165.07880	13.3
165.10121	0.7
166.08646	1.8
166.15919	2.8
175.07602	1.0
176.14378	0.7
178.12415	0.6
178.15961	2.9
187.07536	2.8
190.07860	1.2
190.12311	1.6
191.08566	3.9
195.07712	1.5
204.14075	0.7
206.15416	1.6
208.13342	23.3
210.14926	4.4
210.18451	0.7
213.12265	0.9
218.07393	0.7
219.08015	4.6
221.06183	0.6
221.16496	4.2
223.18071	14.9
236.08208	1.0
247.07635	1.5
249.16034	2.5
250.14378	11.9
251.10757	6.1
265.19272	0.7
267.17068	75.9
269.18622	1.5
279.10156	5.3
293.18576	2.1
294.17041	2.1
296.10519	1.4
311.13190	6.6
311.19675	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01862	3.5
55.05517	12.8
57.03437	10.3
57.07058	3.5
59.05011	2.6
67.05509	60.8
67.64828	2.2
69.03403	5.0
69.07085	16.4
70.06585	4.4
70.22552	4.6
71.04982	5.8
72.04525	2.8
72.08142	2.0
74.02441	14.3
79.05495	28.4
80.05012	2.4
81.03412	2.8
81.07063	53.5
83.04971	6.3
83.08617	7.0
85.06537	4.1
87.05598	27.0
88.03983	3.2
90.38754	1.9
91.05468	19.4
93.07041	35.7
95.04980	7.9
95.08612	89.8
97.06489	2.6
98.06103	2.2
98.21526	2.1
105.07033	18.3
107.08608	24.5
108.08128	30.6
109.06516	7.4
109.10164	45.6
111.08065	3.8
116.03442	5.5
116.07081	2.3
117.07026	4.8
119.08591	24.8
121.08904	2.8
121.10148	13.9
122.09673	6.3
123.08070	6.7
123.11711	7.3
125.09624	3.5
131.08601	3.6
133.06088	72.0
133.10146	7.7
135.08034	3.5
135.11716	16.5
136.07555	3.7
136.11215	2.5
137.05998	5.0
137.09624	8.9
137.13185	9.6
145.10069	4.6
147.11681	4.3
149.13264	12.8
150.12791	8.9
151.07513	2.2
151.09267	2.2
151.11209	2.9
151.13702	4.3
151.14824	19.2
152.14310	2.5
153.12759	2.4
159.11581	5.0
161.13248	13.8
164.14391	18.7
165.07813	8.7
165.12791	2.5
166.08543	2.1
166.15880	5.0
175.57474	2.3
177.12840	3.1
178.15927	4.5
179.14342	23.5
195.07561	2.6
196.17065	2.8
208.13251	13.5
210.15019	3.0
213.12405	4.0
218.11751	7.3
219.12111	20.2
221.16537	3.6
223.18059	7.0
237.13167	12.8
240.19818	1.8
249.19659	3.2
250.14383	6.5
251.10672	4.0
252.15895	4.3
263.40445	2.0
267.17026	52.8
267.20016	3.1
267.21252	3.0
275.20120	8.8
279.10114	4.4
293.18356	15.3
293.21191	6.9
293.24481	3.5
311.09595	2.6
311.12805	6.6
311.16873	5.4
311.19678	100.0
311.23370	5.1
312.21909	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01869	2.3
55.05502	1.3
56.05024	2.9
57.03427	0.9
63.71070	0.8
65.03931	1.6
67.05494	2.9
69.03429	1.9
70.06590	1.3
71.10815	1.3
71.11143	1.2
74.06092	1.0
77.03938	1.6
79.05505	6.6
81.03416	1.2
81.07050	3.5
84.04488	1.1
85.02892	2.0
91.05491	27.7
93.07053	3.7
94.04192	3.8
95.04975	5.6
95.08585	2.2
97.02872	1.2
99.04495	1.0
103.05473	2.6
105.03392	3.7
105.07037	22.9
107.04944	3.8
107.08598	2.1
108.08124	16.8
109.06519	3.7
109.10194	1.2
113.69067	0.9
115.05470	5.5
119.04958	14.9
119.08575	1.3
121.06535	3.1
121.08886	1.0
121.10194	1.1
122.03670	10.6
122.09671	1.9
123.04350	1.0
124.07590	1.5
128.06252	1.2
129.07008	3.7
131.04926	4.1
132.08093	2.0
133.02864	54.5
133.06499	18.1
133.10121	1.7
135.04451	1.2
135.11647	2.6
136.05206	2.8
136.11258	2.1
137.05991	100.0
143.06017	2.2
144.05704	3.0
145.06438	1.0
147.04459	4.9
147.08035	3.1
149.06029	6.4
150.12796	4.1
151.07556	37.5
151.13576	1.7
152.14359	1.2
155.04932	4.8
159.08044	8.5
160.07581	7.8
161.05998	38.8
164.07100	2.7
164.14372	8.1
165.05576	9.6
165.07855	3.9
166.15952	1.8
172.05173	2.5
173.05974	1.5
175.07587	2.2
177.07874	2.6
178.15923	1.7
187.07558	25.7
189.07057	5.8
189.09082	1.3
190.07800	18.7
191.08569	37.0
191.10323	2.2
192.10153	6.6
201.07050	1.2
202.07878	1.1
205.06505	2.7
207.08046	3.5
208.08824	3.5
208.13257	6.7
208.16890	0.9
210.14922	2.0
218.07310	10.3
219.08069	47.4
220.08844	5.6
221.06007	1.3
221.16499	1.2
223.11188	1.4
223.18079	3.3
229.07558	1.3
233.09624	2.0
235.07559	6.4
236.08357	11.8
237.09071	1.8
246.06839	1.3
247.07585	19.9
248.08191	2.0
249.09241	1.5
250.09889	1.3
250.14436	3.0
251.10692	67.0
252.11067	0.9
253.08595	4.7
261.09097	4.1
263.07065	1.6
264.07867	6.6
265.08539	1.9
267.17068	23.0
268.15393	1.6
278.09589	1.0
279.10184	55.1
280.10892	4.2
281.08197	5.2
283.09473	1.0
293.11612	1.4
294.13522	1.2
296.10397	7.7
311.05502	3.5
311.12787	59.8
311.15894	5.7
311.19565	29.3
311.23099	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01869	2.3
55.05502	1.3
56.05024	2.9
57.03427	0.9
63.71070	0.8
65.03931	1.6
67.05494	2.9
69.03429	1.9
70.06590	1.3
71.10815	1.3
71.11143	1.2
74.06092	1.0
77.03938	1.6
79.05505	6.6
81.03416	1.2
81.07050	3.5
84.04488	1.1
85.02892	2.0
91.05491	27.7
93.07053	3.7
94.04192	3.8
95.04975	5.6
95.08585	2.2
97.02872	1.2
99.04495	1.0
103.05473	2.6
105.03392	3.7
105.07037	22.9
107.04944	3.8
107.08598	2.1
108.08124	16.8
109.06519	3.7
109.10194	1.2
113.69067	0.9
115.05470	5.5
119.04958	14.9
119.08575	1.3
121.06535	3.1
121.08886	1.0
121.10194	1.1
122.03670	10.6
122.09671	1.9
123.04350	1.0
124.07590	1.5
128.06252	1.2
129.07008	3.7
131.04926	4.1
132.08093	2.0
133.02864	54.5
133.06499	18.1
133.10121	1.7
135.04451	1.2
135.11647	2.6
136.05206	2.8
136.11258	2.1
137.05991	100.0
143.06017	2.2
144.05704	3.0
145.06438	1.0
147.04459	4.9
147.08035	3.1
149.06029	6.4
150.12796	4.1
151.07556	37.5
151.13576	1.7
152.14359	1.2
155.04932	4.8
159.08044	8.5
160.07581	7.8
161.05998	38.8
164.07100	2.7
164.14372	8.1
165.05576	9.6
165.07855	3.9
166.15952	1.8
172.05173	2.5
173.05974	1.5
175.07587	2.2
177.07874	2.6
178.15923	1.7
187.07558	25.7
189.07057	5.8
189.09082	1.3
190.07800	18.7
191.08569	37.0
191.10323	2.2
192.10153	6.6
201.07050	1.2
202.07878	1.1
205.06505	2.7
207.08046	3.5
208.08824	3.5
208.13257	6.7
208.16890	0.9
210.14922	2.0
218.07310	10.3
219.08069	47.4
220.08844	5.6
221.06007	1.3
221.16499	1.2
223.11188	1.4
223.18079	3.3
229.07558	1.3
233.09624	2.0
235.07559	6.4
236.08357	11.8
237.09071	1.8
246.06839	1.3
247.07585	19.9
248.08191	2.0
249.09241	1.5
250.09889	1.3
250.14436	3.0
251.10692	67.0
252.11067	0.9
253.08595	4.7
261.09097	4.1
263.07065	1.6
264.07867	6.6
265.08539	1.9
267.17068	23.0
268.15393	1.6
278.09589	1.0
279.10184	55.1
280.10892	4.2
281.08197	5.2
283.09473	1.0
293.11612	1.4
294.13522	1.2
296.10397	7.7
311.05502	3.5
311.12787	59.8
311.15894	5.7
311.19565	29.3
311.23099	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1277
Annotation	Porphyrin
Peak:m/z	Relative Intensity
50.87216	0.6
53.08286	0.6
55.01871	1.8
57.03438	0.7
65.03948	1.0
67.05502	1.7
69.03432	1.0
69.07056	1.3
70.06580	1.4
70.16872	0.5
71.04995	0.7
71.53755	1.0
72.08160	1.5
76.41502	0.5
79.05514	3.8
81.07081	3.1
91.05494	5.7
93.07047	1.6
94.04169	3.7
95.04967	1.3
103.05464	2.2
105.04565	0.7
105.07037	7.2
107.04956	2.2
107.08628	3.0
108.08134	0.7
109.06538	4.7
109.10148	1.4
115.05450	2.7
116.06269	0.8
117.07021	1.1
119.08578	0.8
121.06516	1.6
121.10121	1.1
122.03655	9.9
123.04462	0.6
123.11690	0.7
126.80166	0.7
127.05463	0.8
128.06218	1.8
129.06999	4.5
131.04935	1.6
131.08600	1.3
133.02855	0.9
133.06509	5.2
133.10147	1.0
134.03613	1.2
135.08047	0.8
136.07523	0.7
137.05984	96.0
141.06993	0.9
143.04900	0.6
144.05705	2.8
145.06488	1.2
146.03674	1.1
147.04420	1.8
147.08043	0.6
149.05994	5.4
149.10764	0.7
151.07623	0.9
155.04939	8.4
155.06079	0.8
156.05663	1.3
157.06459	0.6
159.04359	0.6
159.08078	7.5
161.05994	12.5
163.03903	0.5
163.07645	0.9
163.62978	0.6
164.14281	0.7
165.07002	2.4
167.07098	1.0
167.08438	0.8
171.04474	0.6
172.05214	2.0
173.05956	0.9
175.06230	0.6
175.07486	3.3
178.43794	0.6
179.08589	1.8
180.09343	1.8
187.07556	27.8
189.07031	6.3
189.08891	1.2
190.07777	21.5
191.08563	48.3
192.09039	0.9
193.06494	1.3
193.10184	0.9
194.07294	0.7
195.08073	0.7
200.47363	0.6
201.07079	1.0
202.07849	2.0
203.08609	1.5
205.06497	2.1
207.08028	5.2
208.08838	6.7
217.06523	1.0
218.07262	12.1
219.08054	58.4
220.08820	6.6
221.05966	2.4
223.11223	1.0
225.09105	1.5
229.07555	2.6
231.08072	1.0
233.09602	2.3
235.07558	8.3
236.08359	14.4
237.09087	2.7
240.08054	0.7
246.06808	1.7
247.07564	27.8
248.05986	0.6
248.08334	3.0
249.05478	1.5
249.09126	1.4
250.09920	0.9
251.10681	89.7
253.08630	7.0
261.09064	3.0
263.07056	2.4
264.07834	9.3
265.08475	4.2
267.10193	1.5
267.17252	0.9
268.07263	0.6
268.10941	2.2
279.10175	80.9
280.10938	5.0
281.08121	11.1
283.09851	0.8
283.13312	1.8
293.22119	1.2
295.09576	1.9
296.10443	14.4
309.11523	0.8
311.12775	100.0
311.20132	2.2
312.13101	1.1
334.97781	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	0.4
56.96558	0.8
57.03420	0.7
61.02942	0.5
65.61131	0.5
67.05510	0.7
69.03435	2.7
69.07076	0.7
70.10310	1.1
70.10703	1.1
71.04999	1.2
75.67799	0.4
81.03413	1.1
81.07056	0.7
84.08140	0.9
85.02917	3.6
86.06083	0.6
89.06016	0.8
91.05469	0.9
95.08551	0.6
97.02876	2.6
98.20790	0.5
98.97591	3.5
99.04469	0.4
109.02847	0.5
110.06052	4.1
113.05991	1.1
113.09606	0.5
114.06330	0.5
116.98645	0.9
119.01835	0.6
122.05968	0.6
124.07623	1.2
127.03910	1.2
129.83766	0.4
131.04872	0.4
131.07039	1.8
132.07375	1.6
133.07599	0.5
133.87436	0.5
136.07581	6.3
137.05960	0.8
140.07065	2.7
142.08640	1.3
143.00154	0.7
147.04425	1.0
149.02109	21.7
149.07100	1.2
152.07083	0.7
154.08644	5.2
158.99680	0.9
161.07127	1.0
166.08565	0.5
181.14699	0.5
182.99672	0.8
185.02917	1.3
185.04262	12.0
190.05055	0.6
209.03027	0.7
217.67517	0.5
219.01843	1.1
227.04086	0.6
237.02701	0.6
257.09067	0.5
263.03961	0.6
269.05704	0.6
293.05457	0.8
293.11426	2.1
293.14990	1.2
307.71494	0.4
311.07367	100.0
311.16046	2.9
312.07703	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
56.96564	0.9
57.03433	1.3
61.02929	1.2
67.05499	1.0
69.03429	3.0
69.07064	0.9
70.66634	1.7
71.04977	1.4
81.03415	1.5
85.02914	5.3
86.03223	0.8
89.06010	1.0
93.07046	1.0
95.04988	0.9
95.08600	0.7
96.05312	0.6
97.02872	2.0
98.97574	2.4
99.04497	0.8
110.06071	3.9
111.04440	0.8
113.06025	1.1
116.98643	0.7
119.04936	0.8
124.07599	2.7
127.03915	1.5
131.07051	2.6
132.07378	1.7
136.07579	16.4
136.08571	1.2
137.06004	1.2
140.07033	3.7
142.08652	2.2
143.00186	0.7
145.05005	0.9
147.04510	0.9
149.02106	28.4
152.07040	1.2
154.08630	14.8
164.06918	0.7
166.08633	1.2
167.01953	1.0
170.08096	0.9
185.02907	4.7
185.04253	22.3
201.00688	0.8
203.04132	0.6
209.02971	1.0
227.04005	0.9
245.03096	0.8
275.13931	1.6
293.11459	2.3
293.14792	1.7
311.07379	100.0
311.16174	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2531
Annotation	Holaromine
Peak:m/z	Relative Intensity
51.74302	0.3
53.03944	0.6
54.60175	0.3
55.05514	1.8
57.07069	0.5
67.05510	2.7
69.07075	1.7
69.96395	1.6
70.06598	5.0
71.89193	0.3
73.94963	0.3
79.05492	4.8
80.05041	0.3
81.07066	4.0
83.07361	0.9
83.08622	0.6
84.08135	0.7
91.05486	4.5
93.07054	4.9
95.04989	0.5
95.08627	1.7
96.08138	2.5
97.10156	0.4
98.20877	0.5
99.27091	0.4
105.07040	5.5
107.08596	3.1
108.08085	0.7
109.08876	0.4
111.04434	0.3
117.07020	2.5
118.06516	0.5
119.08591	4.9
120.08106	1.2
121.08874	0.4
122.09677	4.5
124.11208	0.6
125.09584	0.4
128.06242	0.7
129.07031	4.2
130.07768	0.4
131.08577	6.9
133.10146	1.9
134.09683	1.3
135.11725	0.4
136.11243	1.6
137.11996	1.7
141.06993	0.6
142.07774	1.0
143.08586	4.1
144.09358	1.2
145.09004	0.6
145.10123	4.0
146.09671	2.5
147.10532	0.6
147.11690	0.7
148.11232	1.3
149.13249	0.7
150.12788	0.9
155.08629	0.5
156.09264	0.7
157.08923	0.7
157.10123	4.7
157.67212	0.3
158.09689	0.8
158.10928	0.5
159.10445	0.4
159.11682	1.0
160.11230	1.5
161.12085	0.4
161.13206	1.6
162.12738	0.9
169.10104	0.6
170.09669	0.9
171.11708	2.1
172.11201	0.7
172.12590	0.4
173.11952	0.6
173.13289	5.4
174.12793	3.2
175.14839	0.6
183.11775	0.6
184.11154	0.7
185.11920	0.5
185.13301	1.2
186.12790	6.6
188.14363	1.0
189.11307	0.4
190.15845	0.4
197.13350	0.6
198.12775	1.0
199.14867	1.2
200.14371	1.3
209.11763	1.4
212.14349	2.8
213.15016	0.4
214.15897	0.6
224.14316	0.9
226.15897	3.1
227.18013	1.0
228.17471	1.7
229.18306	0.5
237.11203	1.3
238.15916	1.2
240.17508	4.0
241.18286	1.2
252.17471	2.8
253.18115	0.4
254.19070	2.4
255.12134	0.4
255.19798	0.5
266.19064	1.4
275.20129	0.9
280.20676	2.7
281.21362	1.0
282.22327	0.5
293.17578	0.4
308.23746	1.3
310.25299	100.0
311.25403	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2379
Annotation	Melophlin M
Peak:m/z	Relative Intensity
50.98350	0.5
54.74709	0.5
55.05518	3.2
56.96552	0.7
57.03418	1.7
65.45737	0.5
67.05486	2.1
69.03420	1.1
69.07076	7.2
69.87057	1.5
69.87468	1.3
70.06572	1.0
71.04986	1.0
71.73923	0.6
72.08132	1.1
73.06539	1.5
79.05497	2.9
80.05039	0.6
81.03390	0.6
81.07066	4.7
82.06568	0.8
83.04991	3.4
83.08615	1.0
84.08121	0.9
85.02907	1.2
85.06561	0.6
86.06045	1.2
86.09700	2.6
87.04453	0.5
91.05453	1.7
93.07048	3.9
95.08610	3.6
96.08131	1.4
97.06520	1.2
98.06042	1.1
98.09727	2.7
98.20820	0.6
101.06001	0.6
105.07022	4.4
106.07359	0.8
107.08578	2.4
108.08128	11.8
109.08914	0.6
109.10154	1.5
110.09676	2.5
115.07560	1.2
119.08580	1.2
121.10137	0.8
122.09689	7.2
123.10424	1.7
123.11740	0.7
124.11255	0.7
125.58368	0.5
126.09144	1.8
127.03928	0.6
133.06450	1.2
133.10139	1.0
135.11720	3.1
136.11229	2.8
137.05905	0.5
137.13284	1.0
150.12788	19.2
151.13602	5.5
152.14348	6.8
158.63968	0.5
161.13200	0.8
164.14330	1.5
166.15909	2.5
169.09789	0.5
180.13837	4.2
190.12288	0.8
192.17505	1.3
194.11800	1.0
200.10683	1.0
208.13303	1.2
210.14922	1.9
212.16441	3.1
218.11787	14.0
220.20596	2.4
236.12807	2.5
236.16457	1.3
238.18063	0.7
238.21494	0.9
243.09035	1.6
261.10220	0.8
266.21161	100.0
267.21667	0.6
268.22690	4.3
269.10687	2.6
282.24518	0.6
287.11719	2.0
310.23770	92.5
311.23978	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	35.7
57.07077	42.0
67.05516	35.1
69.07074	69.8
70.98450	6.7
71.08630	30.5
78.53256	3.2
79.05470	8.4
81.07062	89.7
81.95842	3.7
83.08624	52.8
85.06544	19.6
85.10174	16.5
95.08614	100.0
97.10176	49.3
99.08098	5.1
109.09470	5.8
109.10167	58.0
111.11734	30.9
113.09648	4.9
113.96522	4.0
121.10147	4.8
123.11710	24.0
125.13262	15.4
127.07855	4.1
137.13249	9.8
144.42667	3.7
151.14796	8.1
165.16452	5.1
232.44916	3.9
309.31543	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	310.037
Annotation	Unknow
Peak:m/z	Relative Intensity
70.08913	0.5
70.32784	1.0
70.33185	1.2
92.15127	0.5
98.97581	2.5
101.00888	4.2
102.00938	0.6
103.00643	1.6
103.02092	0.5
116.98664	1.1
119.01920	6.9
120.02027	1.7
121.01669	2.0
134.99889	0.8
137.02916	0.9
140.98820	0.5
142.98677	0.5
143.98654	0.9
157.01480	0.5
158.99896	1.2
160.99748	0.7
161.99730	1.2
177.00961	7.5
178.00894	0.7
179.00717	4.9
180.00803	6.3
185.99709	0.6
200.00131	1.1
201.00935	0.7
203.00690	0.9
203.02589	0.6
204.00883	2.2
216.98747	0.8
218.01222	8.1
219.02034	8.3
219.03992	1.2
220.02136	0.7
220.04012	1.8
221.01788	6.3
222.01901	13.6
227.00607	0.7
227.98567	0.8
228.00966	2.0
233.03586	1.5
245.01726	3.5
245.99478	1.0
246.01894	12.3
250.00328	0.8
259.04471	0.6
261.03125	1.4
262.03079	0.9
263.02869	30.0
264.00446	31.8
264.03055	100.0
265.02829	2.1
269.03491	0.9
282.01572	7.4
286.04462	0.9
287.02063	5.2
287.04666	5.5
305.00244	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2788
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03945	1.5
55.01870	2.2
55.05512	27.1
57.03432	6.3
57.07077	13.7
58.94434	0.8
59.04993	3.9
65.03931	1.2
66.45730	0.9
67.05505	30.6
69.03415	3.0
69.07068	100.0
70.06590	1.0
70.78529	2.1
70.78902	1.1
71.05017	4.9
71.08631	5.7
73.06549	5.3
79.05488	11.8
81.07059	76.5
83.04959	3.2
83.08617	27.8
85.02879	1.8
85.06533	12.6
85.10180	1.9
91.05481	6.5
93.07043	38.0
95.04982	3.3
95.08607	80.6
97.06533	12.2
97.10167	7.1
98.98480	1.3
99.08084	7.6
102.90917	1.0
105.07036	7.1
107.08595	36.3
109.06538	1.7
109.10159	36.5
111.07340	0.6
111.08082	21.5
111.11726	21.5
113.09611	1.9
115.07573	1.5
117.07021	1.6
119.08572	5.7
121.10142	17.4
123.08055	1.9
123.11707	40.8
125.09602	4.5
125.13261	2.5
127.11192	1.8
129.12717	2.2
133.10132	2.8
135.11690	20.2
137.09608	1.4
137.13269	8.5
139.11201	4.7
139.25757	1.0
145.10094	1.5
147.04410	1.9
147.11688	3.8
149.13258	30.9
151.14783	2.7
153.12749	28.0
161.13264	4.4
163.14873	5.4
165.12759	3.2
167.14323	9.1
170.14287	0.9
171.13826	2.1
177.16357	3.4
179.07188	1.1
180.13878	1.6
185.13300	1.2
205.19485	1.3
205.42221	1.0
217.19443	1.8
235.20569	1.2
259.74997	0.9
273.18585	1.8
273.25769	3.1
291.19559	2.0
291.26813	14.4
309.11285	3.0
309.20990	2.0
309.27850	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	309.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.0
53.19342	1.6
55.01872	7.7
55.05268	2.6
55.05515	34.6
57.03440	9.2
57.07079	9.2
62.83894	1.7
67.05510	59.0
69.03423	4.3
69.07069	38.1
69.82848	7.7
71.04987	5.1
71.08636	32.6
73.06556	2.8
79.05498	49.9
81.03421	4.5
81.07063	71.8
83.04984	15.8
83.08627	21.4
85.06535	6.7
91.05486	33.1
93.07050	58.7
93.55875	1.4
95.04979	20.9
95.08612	49.9
97.06544	19.5
97.10166	8.8
98.20833	3.1
99.08099	27.2
104.10773	1.7
105.07040	26.9
107.04961	2.9
107.08604	31.0
109.06516	8.9
109.10168	17.4
111.08075	7.1
112.99107	2.1
117.07037	7.5
119.08587	21.8
121.06474	4.6
121.10155	25.3
123.08067	6.6
123.11720	5.8
125.09638	6.9
129.06999	6.0
131.08588	10.9
133.10129	23.4
135.08040	4.2
135.11693	20.9
137.09619	6.3
137.13237	2.2
138.52971	2.8
139.07530	5.6
139.11186	13.5
141.12784	2.3
143.08559	3.9
145.10133	13.7
147.08029	2.3
147.11693	18.3
149.09621	2.6
149.13264	13.8
151.11183	17.7
151.93196	1.5
153.09200	1.9
153.12775	3.0
157.10149	11.1
159.11693	9.2
161.09596	3.0
161.13284	14.6
163.11192	9.6
163.14815	4.6
165.12764	8.9
171.11694	7.1
173.13206	4.2
175.11224	6.6
175.14885	7.4
177.12779	3.3
179.14276	8.5
185.13243	5.0
186.98021	1.6
193.12265	6.5
193.15871	4.5
199.14836	3.1
203.14348	2.1
207.13884	2.8
215.17885	1.8
217.19476	4.2
219.17798	1.7
221.15318	6.3
231.21066	5.3
235.17000	2.8
241.19511	8.5
249.22273	4.4
259.20599	14.6
267.64615	3.0
277.21637	100.0
291.23199	11.2
309.20605	3.1
309.24222	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	309.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.4
55.01866	8.8
55.05268	4.0
55.05518	56.9
57.03425	8.9
57.07076	6.0
59.05006	3.1
67.05507	89.2
69.03416	4.0
69.06725	4.0
69.07070	36.7
69.24081	24.3
69.68864	2.9
71.04985	5.7
71.08630	39.1
79.05019	2.5
79.05498	58.5
81.03423	21.9
81.07064	68.1
83.04991	15.6
83.08631	28.9
85.06528	8.7
91.05488	36.2
93.07052	63.7
95.04983	25.2
95.08617	55.8
97.02921	2.9
97.06541	12.5
97.10177	29.7
99.08100	40.1
103.87782	2.7
105.07035	35.2
107.04979	4.9
107.08604	39.1
109.06501	9.6
109.10166	33.2
109.12157	2.8
111.08087	6.5
117.07020	11.2
119.08587	21.7
121.06479	6.1
121.10160	26.5
123.08073	11.1
123.11690	5.8
124.86076	3.1
125.09647	22.4
129.07031	5.6
131.08571	11.9
133.06479	2.5
133.10138	20.7
135.08070	6.7
135.11719	29.6
137.09621	5.9
139.07550	3.8
139.11203	5.8
143.08554	9.3
145.10146	18.3
147.11708	15.9
149.09563	3.5
149.13196	14.7
151.11195	25.6
153.09090	8.7
153.12813	3.4
157.10149	7.4
159.11690	6.7
161.09560	4.3
161.13260	17.4
163.11238	19.3
163.14856	3.4
165.09109	3.1
165.12726	5.5
168.10916	2.6
171.11671	6.8
173.13297	5.6
175.14818	8.4
176.04395	2.8
177.12866	3.3
179.14339	13.6
181.12285	3.4
185.13310	4.2
189.11261	3.2
193.15948	2.8
199.14854	3.9
203.12770	21.2
207.13802	4.1
213.16374	2.7
221.15416	5.0
227.12761	25.4
231.17296	4.2
231.21100	5.2
235.13272	5.7
241.19553	10.3
259.20551	14.6
273.18576	3.8
277.21652	100.0
291.19547	31.5
291.23087	8.3
309.16803	3.8
309.24402	18.2
331.91165	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2423
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03948	5.9
55.01875	12.0
55.05267	2.9
55.05516	45.5
57.03440	10.8
57.07083	14.8
59.05028	3.2
65.03951	3.3
65.88837	1.5
66.13019	1.4
67.05507	67.9
69.03426	7.7
69.07074	37.9
71.05010	7.4
71.08636	36.9
71.54372	2.1
71.54764	2.3
73.06553	2.7
79.05496	61.9
81.03416	6.8
81.07063	79.2
83.04986	14.7
83.08611	22.2
85.06548	9.3
91.05485	43.7
93.07050	75.6
95.04975	30.1
95.08616	56.8
95.09237	2.0
95.33964	1.7
97.06544	17.3
97.10181	12.1
99.08099	30.1
104.10715	3.8
105.04560	1.9
105.07038	37.3
107.04989	5.5
107.08607	34.5
109.06537	9.8
109.10168	22.8
111.08069	10.4
111.11777	1.6
116.72021	1.6
117.07024	6.4
118.30299	1.5
119.08587	24.6
121.06542	5.8
121.10146	28.0
123.04441	2.3
123.08070	9.5
123.11712	7.9
125.09631	8.4
129.07027	7.1
129.52466	2.5
131.08591	10.6
133.10124	25.5
135.08083	2.4
135.11694	19.8
137.05942	1.8
137.09637	5.4
137.13185	3.2
138.52982	2.0
139.07556	6.3
139.11189	11.7
141.12788	2.7
143.08582	4.5
145.10123	14.6
147.08069	3.3
147.11705	20.8
149.09642	4.4
149.13272	13.4
151.11183	23.0
153.12762	3.0
157.08929	1.5
157.10139	10.1
157.53763	3.9
159.11697	7.2
161.09651	4.3
161.13232	16.0
163.11186	11.1
163.14847	6.5
165.09151	2.0
165.12781	8.2
167.14267	2.4
169.65282	1.8
171.11678	6.5
173.13332	5.0
175.11194	4.6
175.14838	8.5
177.12766	3.3
177.16389	2.7
179.14325	8.8
184.07387	3.4
185.13277	6.8
187.14925	1.9
189.12793	3.9
191.17859	1.8
193.12257	6.5
193.15900	2.9
199.14859	3.2
207.13838	3.0
217.19664	2.2
221.15381	6.2
231.21109	5.7
234.68866	1.5
241.19505	9.0
249.22194	3.9
259.20526	14.8
267.64694	4.8
276.65112	1.9
277.21637	100.0
288.16144	2.2
291.19998	2.3
291.23145	12.1
293.45358	1.6
295.22714	5.0
296.25818	2.0
309.17065	2.8
309.20770	2.3
309.24271	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	309.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36222	2.7
53.03958	5.7
55.01863	11.0
55.05508	30.0
57.03431	9.0
57.07083	8.4
59.05010	3.6
60.10293	2.6
60.31701	2.5
65.03917	3.2
65.37001	2.5
67.05507	65.5
69.03425	4.2
69.07072	29.4
70.64889	5.7
70.65298	5.3
71.08636	100.0
73.21175	2.6
79.05500	57.4
81.03410	9.1
81.07061	72.5
83.05005	13.5
83.08636	23.8
85.06539	6.4
88.03179	2.8
91.05486	39.1
93.06480	4.1
93.07047	67.2
94.34624	2.5
95.04979	22.1
95.08614	40.1
96.01495	3.2
97.02928	2.8
97.06544	13.2
97.10184	14.7
97.56161	2.7
99.08102	83.0
105.07038	33.7
105.12912	3.0
107.04967	9.8
107.08601	38.0
109.06503	7.6
109.10161	17.2
111.08079	18.9
115.05383	2.7
117.07038	9.5
119.08596	27.8
121.06511	6.1
121.10152	28.5
123.04426	7.8
123.08051	8.1
123.11700	6.3
125.09637	8.3
128.06212	4.2
129.06992	5.4
131.08583	9.3
133.10126	19.1
135.08061	5.6
135.11699	25.2
137.09694	4.4
139.07547	14.7
139.11226	4.0
143.08601	8.8
145.10136	22.4
147.08063	4.8
147.11693	14.8
149.09651	3.7
149.13287	11.7
151.11192	46.1
157.08694	4.2
157.10110	8.7
159.11790	3.4
161.13264	21.8
161.65221	3.1
163.11218	24.8
163.14737	3.7
165.12764	4.3
171.11658	8.2
175.14822	11.3
177.83609	2.7
178.81754	2.9
179.14352	13.8
185.13333	3.9
189.12813	5.4
193.15891	5.0
195.13797	4.0
203.12752	3.2
217.19498	5.1
221.15497	6.3
231.21078	7.2
235.13190	6.8
241.19421	16.2
249.22104	3.1
259.20581	28.2
277.21613	80.4
291.19913	5.0
291.23181	12.8
309.16803	5.7
309.24307	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	309.2423
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03947	2.5
54.84661	0.5
55.01878	3.1
55.05272	1.2
55.05516	16.1
57.03447	3.4
57.07074	3.2
59.04992	1.0
59.89329	0.5
63.56578	0.5
65.03945	1.3
67.05511	41.7
69.03430	1.7
69.07072	15.2
71.04998	2.6
71.08637	46.5
71.54212	0.6
71.54593	0.7
73.06561	0.8
79.05499	38.4
81.03059	0.6
81.03430	7.2
81.07063	42.0
82.18528	0.5
83.04988	11.8
83.08630	7.8
85.06549	1.9
91.04912	0.6
91.05486	23.7
93.07052	53.0
95.04981	8.5
95.08614	31.8
95.09250	0.9
97.06540	9.5
97.10190	2.7
99.08101	43.2
105.07043	16.5
106.10503	0.5
107.04966	6.2
107.08605	26.8
109.06505	3.5
109.10162	11.6
111.08096	2.4
111.11741	0.7
113.09653	2.6
117.07014	3.2
119.08585	15.0
121.06493	1.3
121.10152	30.3
121.58861	0.5
123.08074	2.2
123.11707	2.0
125.09666	1.1
127.11201	1.9
129.07024	2.0
131.08589	3.4
133.06519	1.2
133.07480	0.5
133.10150	10.2
135.08168	0.6
135.11705	32.5
137.09627	4.4
137.13266	0.9
139.11185	2.3
141.09114	4.1
143.08545	2.6
145.10121	4.9
147.07951	0.6
147.11725	4.3
149.09656	1.1
149.13277	9.9
151.11194	16.2
153.12759	3.7
157.10123	1.6
159.11707	4.0
161.09711	0.7
161.13254	11.2
163.11185	6.7
163.14816	2.3
165.12758	1.1
167.10675	2.7
171.11682	2.1
173.13271	1.5
175.11185	0.7
175.14859	2.1
177.12766	3.5
177.16374	0.7
179.14323	100.0
181.12254	1.0
185.13235	2.0
187.14882	1.1
189.12762	2.6
195.13817	2.0
199.14870	1.6
201.16637	0.6
207.13800	1.3
207.17538	0.5
213.16455	0.6
221.15399	3.8
235.13281	0.6
235.16959	4.6
241.19505	3.1
259.20572	5.8
270.33688	0.5
277.21643	60.4
291.23123	0.9
309.24255	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	309.2214
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
51.02385	2.8
53.03945	6.3
55.01871	4.0
55.05522	17.6
57.03425	4.4
57.07075	3.9
67.05512	35.0
69.03428	2.6
69.07067	22.5
69.45197	2.2
69.53727	11.7
71.04993	3.1
71.92397	2.4
72.22684	2.3
74.64687	2.4
79.05492	33.0
79.36811	2.1
81.03429	5.1
81.07064	49.7
83.08620	6.3
89.17345	2.1
91.05491	44.9
93.07053	85.6
95.04979	55.6
95.08613	45.9
97.06538	18.6
98.20767	4.8
103.05482	2.8
105.07047	82.1
107.08598	46.0
109.06539	11.5
109.10151	26.9
115.05486	5.6
117.07023	19.1
119.08595	64.1
119.09209	1.9
121.06554	12.1
121.10152	100.0
123.08085	9.3
123.11702	7.7
128.06233	8.3
129.07028	13.0
130.07791	7.0
130.36382	2.6
131.08591	37.6
133.10139	41.3
135.08060	5.3
135.11743	13.1
141.07021	4.9
142.07785	14.9
143.08588	32.0
144.09326	8.8
145.10141	56.0
145.11285	2.9
147.08037	2.5
147.11691	11.6
149.09642	5.5
149.13263	2.5
153.07132	2.7
154.07848	3.2
155.08557	11.3
156.09404	12.3
157.10155	44.2
158.10971	5.5
159.08096	3.5
159.11703	47.1
161.09636	9.5
161.13295	9.2
165.07083	3.4
167.08626	2.9
169.10106	17.8
170.10963	8.0
171.11716	19.8
173.09650	3.9
173.13223	18.3
175.11221	6.2
175.14857	8.6
179.08592	4.7
180.09390	2.8
181.10091	7.7
182.10933	4.6
183.11700	16.8
185.09598	2.6
185.13301	12.4
187.11201	13.5
187.14839	21.7
189.12823	5.3
192.09410	2.3
193.10188	4.9
194.10933	3.4
194.49048	2.3
195.11771	7.8
196.12469	3.7
197.13303	15.4
197.87605	2.5
199.14853	10.2
201.12714	3.5
201.16370	2.8
203.14363	2.2
206.10988	2.5
207.11646	4.8
209.13287	6.4
211.14821	10.2
213.16454	4.5
215.14401	3.8
221.13254	4.7
222.14041	3.6
223.14838	3.7
225.16417	7.3
235.14853	10.7
239.14465	3.2
239.18030	4.7
241.19720	2.5
253.15923	6.6
267.17480	2.1
281.22696	9.6
291.21167	11.2
309.22107	73.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03946	11.7
55.01876	12.6
55.05514	25.8
57.03158	2.7
57.03442	49.1
57.07083	3.4
59.04994	4.1
61.78054	2.3
65.03945	3.3
67.05515	66.8
69.03435	10.3
69.07072	28.4
70.34278	2.9
71.05012	15.5
73.06583	2.3
75.04485	3.9
78.69086	2.6
79.05499	64.7
81.03424	28.8
81.06585	5.1
81.07066	100.0
82.25473	2.2
83.04993	12.5
83.08623	14.0
85.06549	15.2
85.25804	2.4
91.05484	53.9
93.07053	64.6
95.04977	29.1
95.08614	60.1
97.06541	41.7
97.10165	11.4
99.04462	3.7
99.08093	22.4
100.04062	2.7
105.07037	58.1
107.04956	19.6
107.08607	41.3
109.06530	40.2
109.10172	29.8
111.04456	11.2
111.08063	7.3
113.06001	2.9
117.07025	27.8
119.04964	4.4
119.08588	35.5
121.06526	14.0
121.10136	31.9
123.04415	8.0
123.08089	18.2
123.11730	4.7
125.09646	7.4
127.07545	7.1
128.06255	4.7
129.07030	12.2
131.08574	31.4
133.06497	8.9
133.10149	31.5
135.08083	21.7
135.11702	21.8
137.09612	7.7
139.07492	3.3
141.07010	4.2
143.08548	17.2
145.06483	6.7
145.10143	24.4
147.08084	12.8
147.11714	14.1
149.09627	13.0
149.13274	7.1
151.11180	14.0
153.09123	4.4
157.10135	12.4
159.11688	17.1
161.09589	13.6
161.13292	5.1
163.11215	6.4
169.10097	6.8
171.11748	12.7
173.09605	3.9
173.13307	9.8
175.11235	5.9
177.12766	6.4
177.55914	2.8
183.11699	3.9
185.13240	3.0
187.11192	6.6
187.14804	4.7
189.11275	2.7
189.12805	6.3
189.16354	4.8
191.14285	4.7
193.12231	3.3
195.13881	6.3
199.14871	10.5
201.12633	4.5
205.12233	3.3
207.17296	2.8
217.15863	18.0
219.13844	11.5
221.15385	5.3
223.13220	6.2
227.17993	4.9
231.13879	5.1
233.15434	11.2
235.16934	8.3
245.19017	8.9
249.14742	3.6
251.16415	11.4
255.17400	6.2
263.19980	16.0
273.18503	43.4
287.38123	2.4
291.19556	97.5
297.01270	2.5
309.17111	3.7
309.20618	41.2
310.20831	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03941	3.8
55.01877	17.6
55.05266	1.9
55.05515	26.0
57.03439	5.5
57.07072	2.6
62.25355	1.2
65.03945	2.7
67.05509	66.3
69.03409	5.4
69.07073	26.4
69.77917	1.0
70.25820	2.9
71.05000	9.9
74.11406	1.2
76.29740	1.1
76.83569	1.1
79.05496	40.3
81.03423	3.8
81.07063	77.7
83.01332	3.3
83.04986	15.2
83.08633	10.2
83.09074	1.8
85.02905	3.0
85.06556	8.4
91.05487	53.8
91.82995	1.1
93.07050	46.5
93.07639	2.5
95.04980	9.8
95.08605	26.1
95.09171	2.2
97.02877	1.5
97.06523	7.5
97.10180	3.6
98.21444	1.5
99.04461	4.5
99.08100	2.9
103.05476	1.1
105.07037	53.3
107.04973	8.3
107.08601	49.5
109.02828	1.3
109.06517	12.0
109.10161	88.1
109.70868	1.1
111.04465	5.4
111.08079	8.4
111.30188	1.3
113.05996	4.6
117.07030	5.7
119.08590	13.3
121.06502	11.4
121.10141	11.8
123.04465	2.2
123.08095	5.5
123.11709	11.0
125.06020	2.2
125.09630	3.6
127.07570	4.3
129.06996	5.3
131.08574	11.7
133.06517	5.9
133.10138	100.0
135.08044	5.7
135.11707	9.2
137.06024	2.7
137.09592	4.4
139.07538	6.5
143.08563	4.3
145.10132	12.1
147.08049	8.5
147.11674	6.2
149.09610	8.4
149.13287	2.3
151.07622	1.4
151.11191	69.4
157.10133	3.9
157.27811	1.5
159.08073	1.8
159.11717	4.3
161.09615	10.8
161.13257	4.7
163.11182	3.7
165.12730	1.5
169.12241	21.6
171.11676	4.4
173.09639	1.8
173.13272	1.2
175.11215	4.8
177.09099	1.6
177.12750	1.8
179.10638	4.1
181.08597	3.3
181.12239	2.8
185.13239	3.1
187.11281	1.6
189.12755	3.8
193.12276	1.5
197.11726	1.6
199.11143	3.0
203.14278	1.9
207.13773	1.3
215.12820	9.6
217.12193	2.3
223.13220	2.3
227.17909	3.1
231.13860	1.3
245.19029	14.7
255.17509	5.5
263.20090	14.7
273.18515	40.6
291.19547	63.4
292.53973	1.1
309.20605	26.0
309.24063	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	309.206
Annotation	Albocycline
Peak:m/z	Relative Intensity
52.60854	0.6
55.01877	3.9
55.05515	21.0
56.11288	0.7
57.03436	1.2
64.58321	0.8
67.05511	10.5
69.03429	3.1
69.07074	9.0
70.58098	2.1
70.58449	0.8
71.04978	1.0
79.05495	11.4
81.03421	1.8
81.07061	11.2
83.04958	1.9
83.08624	11.6
91.05494	7.7
93.07053	8.7
95.01340	1.1
95.04979	4.2
95.08599	5.4
97.02929	1.7
97.06534	1.1
97.10181	16.8
105.07030	4.7
107.04955	3.0
107.08607	7.0
109.06522	1.1
109.10163	3.1
111.04446	1.1
111.08088	1.1
117.07013	3.1
119.04955	0.8
119.08601	6.1
121.06488	1.3
121.10141	3.0
123.08055	4.7
123.11717	0.8
125.09637	12.5
129.06985	1.1
131.08577	3.1
133.06493	2.1
133.10130	2.5
135.08040	2.4
135.11703	1.1
137.09613	1.9
143.08556	1.5
145.10118	3.4
147.08015	3.7
147.11694	2.4
153.09146	1.5
157.10144	1.2
159.11685	1.6
161.09627	2.1
163.11162	1.9
165.09137	1.9
171.10181	1.3
171.11697	0.7
175.11130	1.7
189.11234	7.3
221.11792	0.9
223.13269	5.8
245.18831	1.0
249.14882	1.4
255.17468	1.0
261.14996	0.7
263.19968	0.7
273.18500	9.0
291.19556	100.0
292.20178	0.9
309.20657	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	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03941	5.3
55.01865	11.9
55.05521	19.3
57.02444	3.1
57.03446	23.6
57.07081	4.2
65.03936	5.0
66.62045	3.0
67.05509	75.2
69.03434	4.0
69.07056	14.1
69.84923	16.5
71.05013	3.8
79.05499	49.4
81.03416	6.8
81.07063	58.0
83.04972	7.8
83.08607	6.9
84.32753	3.3
85.06547	11.3
89.91541	3.4
91.05478	36.1
93.07051	36.4
95.04974	100.0
95.08606	19.8
97.06520	10.2
97.10185	4.7
98.20829	5.4
105.07052	33.2
107.04961	15.7
107.08611	23.6
109.02880	3.3
109.06526	66.6
109.10163	9.3
111.04469	5.5
113.06029	25.2
117.06996	17.1
119.08582	12.5
121.06495	10.1
121.10146	10.1
123.08074	9.0
129.06989	10.4
131.08591	18.1
133.06503	4.0
133.10117	9.3
135.08058	49.9
135.11671	12.5
143.08556	9.6
145.10132	11.8
147.04414	3.5
147.08069	11.3
147.11722	5.0
149.09641	8.7
149.13348	3.5
157.10133	4.7
159.11682	7.7
161.09645	9.6
163.11295	4.9
171.11644	4.1
175.11238	4.2
187.11191	3.6
217.15923	16.9
227.17863	4.5
237.16594	3.6
255.17513	5.3
263.20123	5.1
265.11353	3.6
273.18503	32.6
291.19522	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	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03940	1.3
55.01875	3.7
55.05523	4.8
57.03439	31.3
57.07072	1.4
61.60168	1.0
65.03956	1.5
67.05507	25.1
69.03426	1.5
69.07070	1.6
70.78030	2.5
71.05001	2.6
79.05492	10.1
81.03426	1.2
81.07054	8.6
83.04977	1.0
83.08662	1.2
85.06547	29.8
91.05490	9.9
93.07058	9.6
95.04972	40.3
95.08598	4.5
97.14624	0.9
105.07043	5.6
107.04967	3.7
107.08601	7.5
109.06520	37.7
109.10153	1.2
113.06009	100.0
116.54027	1.1
117.07014	4.3
119.08598	3.9
121.06569	2.3
121.10167	1.9
123.08106	1.7
124.37730	1.1
129.06062	1.1
129.06996	2.4
131.08560	7.7
133.06546	1.4
133.10158	2.9
135.08061	31.1
135.11723	2.5
137.09409	1.0
143.08543	2.4
145.10146	4.8
147.08144	1.2
149.09656	3.3
151.52412	1.1
157.10168	3.2
159.08078	1.3
159.11639	2.7
161.09618	4.1
161.13193	1.4
171.11636	1.1
173.13248	1.9
177.12814	2.4
183.11714	2.0
195.13713	1.3
199.14841	1.9
201.12750	1.8
217.15843	8.4
227.18053	1.6
245.19139	2.1
273.18506	17.7
273.59384	1.2
291.19540	45.4
328.78522	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03948	4.7
55.01874	18.7
55.05516	62.7
57.03438	6.5
57.07064	3.5
59.05013	3.6
65.03934	3.2
67.05511	55.2
69.03439	15.1
69.07074	33.0
71.05003	6.2
71.29531	2.4
79.05501	50.7
81.03419	16.0
81.07067	89.5
83.04987	18.0
83.08628	43.8
85.02908	5.2
85.06552	4.3
91.05497	30.4
93.07053	51.8
95.04980	34.7
95.08617	54.4
97.02926	1.9
97.06542	11.3
97.09552	2.8
97.10183	54.5
99.04459	2.1
99.08125	4.6
105.07040	28.8
107.04964	8.8
107.08607	31.4
109.06487	7.7
109.10181	18.5
111.04461	13.0
111.08098	11.9
113.06066	2.4
117.07004	10.1
119.08600	28.4
121.06527	5.1
121.10156	15.3
123.04430	2.3
123.08084	100.0
123.11709	11.7
125.09645	47.1
129.07024	4.3
131.08585	14.2
133.06509	3.5
133.10132	12.1
135.08086	6.7
135.11705	11.1
137.09639	13.8
139.11172	3.7
143.08582	5.9
143.10640	2.7
145.10121	13.4
147.08070	8.3
147.11687	8.8
149.09621	6.7
149.13297	2.7
151.11246	3.3
153.09126	5.9
153.12753	2.8
155.10696	2.0
157.10143	6.9
159.08141	2.7
159.11708	4.4
161.09636	5.1
163.11194	17.0
165.09149	11.0
169.12265	7.9
171.10213	4.5
171.11588	2.5
173.09605	2.6
173.13213	1.8
175.11201	7.6
177.12857	2.7
181.12273	7.9
183.09961	1.6
185.13281	2.0
187.13342	14.1
189.11246	34.7
189.12750	1.4
191.10698	5.6
193.12245	9.3
195.11693	1.7
211.13309	6.5
221.11876	1.9
223.13338	11.6
227.12828	5.5
227.18021	3.3
237.16472	2.4
245.19040	5.8
249.14642	1.9
249.18460	1.9
251.16437	1.6
255.17442	7.6
263.20068	4.3
273.15527	1.7
273.18533	44.1
291.19574	93.8
309.16779	27.4
309.20627	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	308.222
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
55.05504	0.2
57.07062	0.4
58.02958	0.3
67.05491	0.4
69.07079	0.8
71.08630	0.6
71.53307	0.3
79.05502	0.7
81.07076	2.0
91.05489	0.7
93.07062	0.4
94.04195	1.1
95.08620	0.7
99.08109	0.2
102.09211	0.2
107.04935	0.2
107.08625	0.2
109.06523	0.4
122.03658	5.2
133.10156	0.2
137.05989	100.0
137.13243	0.7
138.06328	0.5
154.87979	0.2
155.14322	0.3
165.12814	0.3
172.17007	1.2
184.16992	3.3
194.65790	0.2
199.19109	0.2
219.32072	0.2
276.20541	0.3
291.23206	1.0
308.22385	0.8
308.25955	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03944	3.2
55.01878	5.7
55.05271	1.9
55.05517	27.5
56.96567	1.5
57.03431	3.1
65.03943	1.5
67.05511	22.6
69.03432	5.0
69.07073	14.9
69.62490	5.2
71.04986	3.7
79.05503	21.8
81.03423	4.6
81.07063	27.1
83.04981	4.6
83.08630	13.4
85.06545	2.7
91.05486	14.4
93.07050	17.8
95.01337	1.3
95.04982	8.5
95.08617	14.3
97.06504	4.5
97.10185	24.0
99.04485	1.9
104.99136	1.0
105.07029	11.9
107.04935	4.5
107.08608	14.1
109.06503	2.8
109.10140	6.9
111.04445	2.4
111.08081	2.0
117.07001	3.9
119.08605	11.1
121.06506	2.5
121.10140	6.7
123.08085	13.9
123.11728	1.8
125.09631	16.2
129.06984	3.4
131.08574	7.9
133.06503	3.1
133.10161	7.0
135.08076	3.2
135.11694	2.6
137.09624	3.1
141.09142	1.9
143.08582	3.4
144.59444	1.1
145.10170	5.9
147.08070	4.6
147.11699	4.0
149.09602	3.9
151.11177	2.4
153.09172	2.7
157.10170	1.4
159.11691	1.5
161.09659	1.6
163.11226	1.9
165.09117	2.8
171.10098	2.3
171.11578	1.4
173.13448	1.2
175.11116	2.1
183.11763	1.2
189.11227	11.2
189.12743	1.6
191.10143	2.2
193.12245	2.4
213.89941	1.1
217.15923	1.4
223.13271	7.1
227.17906	1.8
245.18993	1.9
249.14981	2.0
255.17435	1.8
263.20038	1.9
273.18491	17.5
291.19580	100.0
292.20004	1.5
307.16342	1.4
309.20551	14.5
314.61090	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.4
55.05512	4.7
56.05042	3.0
57.03446	3.9
57.07076	4.6
58.99587	3.9
66.51755	1.7
67.05513	35.4
69.03429	3.2
69.07064	6.3
69.42860	13.1
70.06572	3.1
71.04996	79.4
72.08149	3.3
76.02228	8.3
79.05499	10.3
81.07055	32.5
83.04981	5.0
83.08634	2.3
84.04502	5.4
84.08145	3.6
85.02907	3.2
85.06549	74.9
86.09713	2.3
86.99068	3.4
88.04030	2.5
91.05482	27.2
93.07055	10.7
95.04949	3.9
95.08641	3.3
97.02903	3.5
97.06543	4.9
98.97591	2.5
99.04485	3.8
105.00094	6.2
105.07036	26.5
107.08602	29.0
109.06504	5.6
109.10164	36.2
118.06566	4.5
121.10149	3.1
122.02708	10.6
123.11732	7.7
125.09593	2.0
127.07567	1.8
130.05032	4.5
130.06529	33.9
131.06929	2.7
133.10133	58.4
137.06046	2.4
139.11195	3.8
141.06654	3.1
146.05754	1.8
149.10768	8.1
151.11197	49.8
158.06012	4.1
158.08006	2.3
159.07632	3.2
169.12257	100.0
175.26410	1.8
187.13272	11.0
201.09392	3.3
210.04329	3.2
244.09717	8.0
245.12076	3.8
250.78717	1.9
262.10834	5.4
272.11072	3.0
273.11508	1.9
278.19794	3.7
285.09799	2.2
290.14264	2.7
291.12589	39.4
308.12567	2.4
308.15482	25.3
308.18732	3.8
311.18030	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	308.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03037	1.4
53.26482	1.6
55.01870	2.1
55.05516	66.1
56.05025	4.9
57.03437	3.5
58.78248	1.4
58.99327	1.7
58.99584	9.7
61.01143	1.5
64.22059	1.4
67.05497	2.9
69.07051	2.9
69.62733	7.9
70.06573	3.4
72.08153	3.0
74.00652	4.5
76.02236	48.7
79.05463	2.0
81.07037	5.8
83.08624	62.6
84.04495	6.5
84.08122	2.1
85.01111	2.7
85.02905	8.4
86.02428	7.3
86.09698	2.6
86.99020	2.7
87.00822	5.5
88.03992	10.1
91.05473	3.9
91.94284	1.4
93.07027	2.3
95.01335	7.7
98.00644	2.3
98.06070	1.4
98.66532	1.4
99.02687	1.6
100.02216	12.5
100.03954	6.7
101.00600	4.2
101.09656	2.9
102.00143	15.3
104.03488	1.6
105.00093	4.8
105.01972	1.3
105.07032	2.3
107.08572	4.2
110.02387	4.5
113.02369	6.4
115.05766	4.0
116.01691	1.7
116.07117	2.4
116.10766	7.2
117.00087	4.6
119.05012	1.6
119.08579	17.2
120.01147	6.9
122.02737	9.1
127.03908	2.7
127.07583	3.6
128.03450	20.8
129.07346	2.7
130.04982	3.2
130.06557	3.1
131.06874	3.7
132.04443	1.3
133.10117	1.6
141.07277	5.1
144.01151	41.7
146.04471	4.0
147.04407	3.4
148.00644	16.7
150.12729	3.3
156.02924	9.7
158.07936	2.5
159.06364	2.6
159.08401	84.5
162.02214	75.6
162.03217	1.6
163.03862	2.3
164.03766	3.0
169.12271	1.4
173.04514	3.1
174.03995	100.0
175.11137	2.2
187.07852	1.8
190.01707	39.7
193.12152	1.8
195.12512	2.5
205.08984	3.1
206.01143	3.1
208.02771	51.1
211.09737	2.1
229.10730	6.1
235.38911	1.4
244.10016	5.3
262.08929	2.0
262.11331	1.8
273.09821	2.8
290.10611	6.0
291.10608	2.2
298.84586	1.4
308.15509	1.5
308.18643	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2632
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03934	2.3
55.01872	4.1
55.05265	1.6
55.05514	19.7
57.03460	2.5
57.07079	6.6
59.04994	2.2
65.03912	1.3
67.05179	1.5
67.05509	26.1
69.03416	4.2
69.07073	76.1
70.07732	1.0
70.25340	1.3
71.04980	3.9
71.08646	1.2
71.53947	1.5
79.05128	1.3
79.05505	14.1
81.03413	1.6
81.07063	100.0
83.04996	2.8
83.08617	11.7
85.06544	7.2
87.08108	2.5
91.05488	13.0
93.07052	48.3
95.04973	7.3
95.08614	46.4
97.06538	13.6
97.10186	5.1
99.08086	4.8
101.06012	1.3
105.07046	15.8
107.08603	46.2
109.06522	8.4
109.10162	35.1
110.09659	1.3
111.08083	22.9
111.11721	17.5
117.06988	2.7
119.08585	10.7
121.06580	1.8
121.10154	15.4
123.08067	3.8
123.11711	28.8
125.09634	3.5
125.13259	1.3
127.03924	1.4
127.11229	1.7
129.06990	1.3
130.06543	2.7
131.08568	4.3
133.10133	18.9
135.08067	2.4
135.11700	23.2
137.05954	1.1
137.09636	1.7
137.13268	7.2
139.04024	1.1
139.11191	20.7
141.12711	1.4
145.10112	3.7
147.11710	9.6
149.09575	2.1
149.13268	7.4
151.11198	38.3
151.14821	1.6
153.12762	7.4
157.07594	2.5
157.12239	1.4
158.06006	3.0
159.11696	4.2
161.13283	4.8
163.11217	2.6
163.14836	3.3
165.12827	6.2
167.14284	1.3
169.12247	4.4
173.13266	3.8
175.08693	1.6
175.14832	3.4
177.12759	1.7
177.16309	1.3
179.14345	1.9
181.12271	1.3
183.11659	1.2
183.13660	1.2
187.14839	1.7
189.16382	1.7
191.18007	1.8
201.16397	2.1
203.18040	1.4
205.15913	1.2
207.17451	1.6
215.17943	1.9
232.78539	1.1
271.24243	5.0
275.12485	2.4
289.18164	1.5
289.25241	14.7
307.16211	1.2
307.26334	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	307.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
53.73564	1.5
55.01864	4.7
55.05517	17.0
57.03431	1.7
59.05026	2.0
65.03956	1.7
67.05508	75.8
69.03425	3.0
69.07076	14.9
71.04977	3.0
79.05054	3.4
79.05495	34.2
81.03433	4.9
81.06586	2.9
81.07062	55.2
83.04980	3.0
83.08618	5.0
85.06539	3.0
91.05484	48.3
93.07052	31.6
95.04966	5.8
95.08608	31.4
97.06543	6.8
97.10148	3.2
98.21510	5.6
105.07039	55.0
107.04967	4.8
107.08604	19.1
109.06472	3.0
109.10167	27.3
111.08090	2.8
115.05427	2.0
117.07023	14.1
119.08585	40.3
121.06510	3.3
121.10129	14.0
123.08062	5.3
123.11707	7.6
125.09636	2.8
129.07030	3.5
131.08549	15.9
133.06538	2.2
133.10149	40.1
135.08063	6.9
135.11702	7.6
137.09627	12.4
137.13268	3.4
141.09079	1.9
143.08553	2.5
145.10139	15.4
147.11700	26.9
149.09662	9.9
149.13257	2.2
151.11185	3.7
155.08604	2.1
159.11717	13.1
159.16519	1.7
161.13252	7.8
163.11171	4.3
165.09123	3.6
165.12805	2.6
169.10023	3.5
171.11716	3.4
173.13254	10.3
175.11188	2.2
177.12701	2.4
183.11700	2.7
187.14911	3.0
197.13252	3.5
213.16402	1.7
216.37399	1.7
229.19524	4.9
229.41022	1.9
233.15410	2.5
239.17949	5.7
247.20653	9.3
257.18967	10.4
259.59222	1.5
275.20074	100.0
276.20703	1.8
285.27579	1.8
289.21588	5.3
307.22852	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	307.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40959	2.8
53.03943	20.4
55.01873	26.9
55.05518	18.6
60.55537	2.8
67.05508	42.4
69.07076	44.6
71.04976	4.1
79.05495	35.9
81.03416	30.7
81.07057	70.0
83.04973	9.1
83.08601	10.9
85.06537	5.6
87.91587	2.8
91.05479	43.5
93.07047	44.4
95.01337	5.1
95.04990	14.2
95.08611	38.3
97.06535	63.6
97.10171	3.7
99.08057	3.4
103.05502	3.3
105.07037	63.5
107.04956	21.1
107.08598	20.5
109.06485	4.9
109.10147	6.0
111.08080	6.5
117.07034	11.8
119.08568	30.4
121.06474	4.9
121.10149	8.6
123.08049	10.3
125.09623	5.8
129.06992	3.2
131.08572	21.3
133.10136	41.3
135.08064	7.3
135.11674	14.5
137.09650	3.1
143.08537	3.6
145.06442	6.9
145.10120	18.9
147.11737	15.7
149.09607	16.2
149.13275	11.5
159.11694	18.5
159.18837	2.9
161.09592	4.2
161.13234	5.2
163.11220	7.7
165.09152	4.4
168.63937	2.9
169.10068	6.4
171.11653	4.3
173.13219	6.0
177.12756	20.8
179.14316	15.6
187.11205	17.2
205.12254	6.7
209.15385	8.1
216.02016	2.8
239.18097	3.1
247.20581	3.4
257.19058	9.7
275.20065	100.0
284.84348	2.6
307.22729	18.3
326.48883	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	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03942	3.0
55.01637	2.1
55.01879	34.5
55.05514	13.7
57.03434	3.0
57.07061	1.6
59.05001	1.3
65.03918	1.8
67.05507	38.0
69.03422	1.7
69.07077	20.6
69.72868	1.3
70.62636	1.3
70.62945	2.6
71.04988	1.8
76.13332	1.0
79.05500	34.1
81.03413	3.9
81.07065	45.6
83.04967	4.2
83.08622	8.8
85.06542	3.3
91.05490	25.7
93.07054	31.2
95.04975	12.6
95.08611	30.6
97.06539	52.6
97.10163	4.9
98.21371	1.5
103.05442	1.7
105.04527	1.4
105.07040	34.9
107.04955	9.0
107.08600	25.9
109.06502	9.0
109.10159	11.1
111.08085	4.8
115.05428	1.5
115.07430	1.3
117.07008	10.7
119.08596	25.2
120.96192	1.2
121.06498	3.9
121.10155	20.4
123.08099	6.9
123.11725	4.1
125.09615	4.5
129.07021	3.1
131.08580	17.4
133.10138	27.1
134.39941	1.2
135.08064	6.5
135.11694	11.3
137.09630	8.5
137.13232	3.6
139.07556	3.6
139.11209	2.1
141.07016	1.4
143.08569	3.8
145.10138	18.0
147.11705	15.6
149.09637	20.7
149.13254	6.1
151.11177	6.0
155.08536	1.5
157.10103	3.8
159.11710	15.0
161.09595	3.1
161.13240	6.5
163.11208	12.9
163.14810	2.4
165.12744	3.4
169.10098	3.2
171.11638	3.0
173.13278	9.6
175.11183	2.8
175.14896	1.8
177.12778	3.6
179.14262	1.8
183.11705	2.4
185.13277	1.2
187.11189	3.6
187.14853	3.0
191.14276	1.3
197.13283	3.2
201.12779	1.6
201.16238	1.5
203.12766	1.7
215.17987	2.0
219.17494	1.4
229.19534	4.4
233.19009	2.1
239.18011	8.3
247.20541	9.7
257.19003	15.0
263.20090	2.9
275.20090	100.0
289.21603	14.9
307.22726	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	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48177	3.0
53.03942	11.8
53.74540	3.2
54.11644	3.1
55.01875	22.6
55.05519	28.3
55.95519	3.1
57.03421	3.7
57.07068	4.3
62.77487	3.9
67.05510	57.5
69.07073	39.7
71.04985	4.8
71.53117	5.0
79.05132	4.1
79.05508	43.4
81.03432	22.0
81.07062	78.3
83.04971	10.9
83.08624	12.7
85.06542	5.0
91.05487	46.8
93.07045	56.4
95.01291	3.5
95.04964	14.3
95.08611	47.3
97.06551	41.3
97.10168	8.4
99.08089	5.8
103.01009	3.5
105.07037	54.0
107.04967	26.4
107.08598	27.9
109.06559	9.5
109.10174	17.8
111.08057	5.7
117.06983	16.1
119.08597	29.8
121.06481	5.7
121.10143	14.8
123.08094	9.2
123.11730	7.1
125.09669	9.6
131.08578	25.0
133.10129	29.4
135.08107	7.2
135.11699	18.5
137.06012	10.5
138.06317	6.6
141.06972	5.1
143.08589	5.0
145.06474	4.4
145.10097	17.7
147.11739	20.4
149.09647	17.4
149.13255	12.9
151.11172	4.2
153.09120	6.9
155.08626	4.0
157.10106	5.1
158.06010	3.8
159.11713	22.7
161.13235	6.8
163.11171	7.8
169.10098	7.7
173.13312	5.7
175.08585	3.6
177.12764	19.4
179.14365	12.7
187.11183	8.3
197.13326	4.4
203.12836	4.5
205.12312	5.1
209.15382	5.8
217.15683	3.4
222.10255	3.5
229.19649	3.7
233.19058	3.8
239.17917	4.2
257.19086	10.7
275.20096	100.0
289.21869	4.3
307.22748	59.9
307.26059	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
50.93270	1.8
53.03941	3.2
55.01676	1.9
55.01877	22.5
55.05515	33.0
56.62589	1.7
57.03420	2.7
57.79287	1.6
67.05181	2.6
67.05511	38.6
67.59271	1.7
69.03417	3.2
69.07072	16.7
69.86320	9.4
71.04988	4.1
79.05495	50.9
81.03416	4.3
81.07065	42.0
81.21134	1.7
83.04967	6.7
83.08631	18.2
83.90391	1.8
91.05484	31.4
93.07049	33.3
95.04955	6.6
95.08603	20.9
97.06535	28.3
97.10172	22.4
98.20686	1.8
100.14573	1.8
105.07034	33.0
107.04973	10.9
107.08601	97.0
109.06511	6.5
109.10185	11.3
111.08089	2.9
117.07027	12.7
119.08590	22.9
121.06496	3.9
121.10151	14.7
123.08065	3.5
123.11725	4.4
125.09637	27.4
129.07034	3.4
131.08566	16.4
131.45494	1.7
133.10149	26.2
135.08066	10.3
135.11684	7.5
137.09599	4.1
143.08571	3.4
145.10133	23.1
147.11684	14.9
149.09627	18.1
149.13322	2.1
151.11195	6.5
153.09091	7.0
157.10179	2.2
157.12285	2.6
159.11726	11.0
161.09668	2.6
161.13240	6.0
163.11179	6.3
165.09099	2.0
169.10124	3.7
171.11670	4.1
173.13235	6.4
177.12746	3.9
181.12259	2.1
183.11693	3.3
187.11226	2.0
189.12784	1.8
197.13272	2.8
203.12805	25.0
203.14586	3.4
209.15192	2.0
211.14751	1.9
229.19513	5.1
239.17892	8.1
239.59756	2.0
247.20670	5.9
257.18964	14.9
275.20081	100.0
289.21536	14.7
307.22717	31.3
307.28214	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03952	2.6
55.01877	18.5
55.05516	23.5
57.03435	6.4
64.30027	1.6
65.03959	2.0
65.41354	1.7
67.05509	29.4
69.03427	3.4
69.07069	22.1
69.39265	5.9
69.39693	7.4
71.04996	2.8
71.15848	1.7
79.05500	35.0
81.03398	4.1
81.07063	39.1
81.73780	1.6
83.04991	5.0
83.08627	12.1
85.06543	3.7
91.05490	31.3
93.07054	33.7
95.04974	9.4
95.08610	20.8
97.06538	37.8
97.10187	15.4
99.08104	1.9
105.07040	33.3
107.04971	9.5
107.08603	65.7
109.06517	16.2
109.10166	10.1
111.08083	3.8
117.07047	6.7
119.08603	23.7
121.06535	3.2
121.10175	12.2
123.08074	4.1
123.11720	3.2
125.09635	22.5
129.07022	3.2
131.08580	15.5
133.10138	18.9
134.84935	1.9
135.08055	5.5
135.11681	7.9
137.09631	3.0
143.08557	2.5
145.10136	16.6
147.07997	1.8
147.11705	16.5
149.09613	19.7
149.13315	3.0
151.11140	5.4
153.09171	2.8
157.10143	3.8
159.11678	16.4
161.09665	2.6
161.13277	7.8
163.11185	8.0
165.09190	3.3
165.12772	15.8
168.12383	1.7
169.10124	1.9
171.00037	1.6
171.11673	3.5
173.13309	9.8
175.11244	3.2
175.14703	1.8
177.12801	4.0
183.11716	2.9
185.13303	5.1
186.55992	1.8
187.14786	1.7
203.12804	17.3
203.14391	2.5
205.12117	1.9
205.15913	1.9
209.15509	2.0
219.17455	6.7
229.19519	3.9
235.17030	2.0
239.18047	5.7
247.20602	5.0
257.19028	17.5
271.45224	2.0
275.20090	100.0
289.21640	18.5
304.08862	1.7
307.22714	44.0
307.28140	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
51.64527	0.8
53.03941	2.3
55.01880	8.9
55.05516	28.3
57.03439	1.2
59.04995	1.3
65.03933	1.0
67.05180	1.2
67.05511	18.4
69.03410	3.0
69.03749	0.9
69.07076	7.1
69.75566	3.5
71.04987	1.7
75.98936	0.7
79.05501	40.7
81.03399	1.5
81.07064	15.0
83.04985	3.8
83.08620	11.5
83.10628	0.8
85.06531	2.2
91.05491	21.3
93.07049	20.4
95.04959	3.6
95.08148	0.8
95.08625	8.9
97.06540	9.6
97.10180	21.0
103.05482	0.8
105.07042	25.6
107.04964	8.2
107.08604	100.0
109.06516	2.8
109.10159	7.0
111.08089	1.9
117.07043	5.2
119.08590	12.7
121.06487	1.4
121.10146	6.2
123.11752	1.7
125.09645	27.7
129.06973	1.1
131.08575	7.4
133.10141	15.1
135.08058	7.0
135.11693	4.3
137.05927	1.1
137.09654	1.1
143.08551	2.6
145.10136	13.6
147.11711	9.2
149.09636	15.1
149.13220	1.2
151.11113	1.2
153.09085	6.4
153.12733	1.3
157.10123	1.7
157.12236	2.7
159.11705	6.5
161.13309	3.4
163.11171	3.6
167.10646	1.1
169.10168	1.5
171.10208	1.5
171.11684	2.0
173.11798	1.4
173.13287	2.2
177.12737	1.7
181.12231	2.8
183.11676	1.3
187.11261	1.3
187.14835	0.9
197.13231	0.8
203.12790	23.0
229.19550	1.7
239.17871	5.3
247.20569	1.9
257.18991	11.2
275.20087	54.7
276.20374	1.0
289.21646	12.0
307.22687	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	307.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06599	3.0
53.03943	12.7
55.01857	14.0
55.05519	28.4
56.21159	2.9
57.03430	7.6
57.07070	9.0
59.04754	3.7
59.05009	52.2
65.03919	4.7
65.11318	3.2
67.05513	58.5
69.03421	5.4
69.07078	33.3
69.24132	21.1
69.24540	8.7
71.04976	15.2
73.06567	3.3
79.05075	4.7
79.05499	79.6
81.03409	9.7
81.07062	82.8
82.05191	3.2
83.04971	10.1
83.08606	18.2
85.06525	5.9
91.05486	100.0
93.07055	74.4
95.04999	16.8
95.08616	52.4
97.06535	34.9
97.10164	19.7
98.98474	3.8
103.05487	4.9
105.07037	68.3
107.04942	8.4
107.08607	56.2
109.02869	9.4
109.06544	8.7
109.10169	23.2
111.08126	8.0
115.05473	3.1
115.11210	5.7
117.07017	23.4
119.08583	68.7
121.02888	4.7
121.06557	7.3
121.10168	46.6
123.08067	14.2
125.08692	3.2
125.09615	11.3
127.03923	4.4
129.06998	11.8
130.41612	3.0
131.08577	59.2
133.10144	55.0
135.08046	8.3
135.11737	15.7
137.09607	13.7
139.03914	26.8
139.11177	5.0
141.06993	4.7
143.08521	9.8
145.06462	4.9
145.10130	38.1
147.08148	4.6
147.11717	27.0
149.09627	19.1
149.13251	6.2
151.11157	6.1
155.08458	3.1
157.07600	6.8
157.10130	16.2
159.11707	18.9
161.09653	5.5
161.13261	13.4
163.11174	10.7
169.10095	8.3
171.11765	18.8
173.09692	7.1
173.13231	14.6
173.15416	5.3
175.08606	5.5
175.11182	4.5
177.12788	5.5
183.11670	6.7
187.11160	4.4
187.14862	3.6
189.11198	6.8
189.31500	3.2
195.13780	3.4
197.13350	6.9
199.14769	4.1
211.14798	6.0
213.05438	3.6
213.16418	4.3
215.14514	4.8
229.15761	3.9
239.17960	17.8
247.20465	4.7
257.19009	25.1
263.20074	9.2
264.82880	3.3
265.38211	3.2
275.20081	67.7
277.21548	5.4
285.10229	3.8
289.17990	34.0
289.21597	53.9
307.09543	5.1
307.19089	12.6
307.22665	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	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
50.24799	1.5
51.36185	1.4
53.03969	6.4
55.01873	21.5
55.05513	40.3
56.04653	1.2
57.03440	6.0
57.07082	3.1
65.03941	5.0
67.05510	49.4
69.03431	4.2
69.07069	21.8
71.04992	5.9
71.13217	2.9
79.05498	49.6
81.03420	10.4
81.07063	67.4
83.04985	14.8
83.08623	28.9
85.02921	1.4
85.06545	4.4
91.05488	40.3
93.07049	45.0
95.01353	1.6
95.04974	19.0
95.08611	30.4
97.06541	30.4
97.10174	17.1
103.05505	1.8
105.04585	1.7
105.07041	38.1
105.08180	1.5
107.04961	21.4
107.08601	64.7
109.02887	1.7
109.06521	21.9
109.10159	18.1
111.04452	2.6
111.08079	8.3
117.07010	14.9
119.08589	27.6
121.02875	4.9
121.06516	10.9
121.10162	19.7
123.04425	3.9
123.08068	8.4
123.11713	4.2
125.09633	20.1
127.03928	1.8
129.07033	3.7
130.06581	2.4
131.08565	18.4
132.04393	1.5
133.06522	2.7
133.10135	24.2
135.08061	14.6
135.11688	13.3
137.06035	1.4
137.09621	6.1
139.03915	18.4
139.07523	2.2
139.11212	1.8
141.07039	2.2
143.08525	3.8
145.06587	1.7
145.10138	20.7
147.08041	4.6
147.11708	14.9
149.08539	2.6
149.09624	22.0
149.13264	5.6
151.07404	2.4
151.11154	9.2
153.09100	5.8
155.08557	3.0
157.07588	2.9
157.10156	4.2
158.06009	3.3
159.08083	4.1
159.11693	12.6
161.09587	2.7
161.13278	6.4
163.07568	5.6
163.11195	14.0
163.14807	2.3
165.09164	4.1
165.12776	4.6
169.10161	2.4
171.11711	3.0
173.09608	3.8
173.13281	8.6
175.08698	2.1
175.11176	3.1
175.14784	1.7
177.09137	3.2
177.12711	3.6
179.14355	1.7
183.11734	3.1
185.13326	1.9
187.11169	3.8
187.14854	3.2
189.11237	1.7
189.12788	2.9
191.10655	1.9
191.14345	2.4
193.12294	3.6
197.13324	2.3
201.12747	3.2
203.12784	12.8
205.12296	2.3
213.05504	1.9
215.14238	2.4
215.17909	2.0
219.13815	4.2
229.12018	1.5
229.19569	5.8
233.15358	2.4
233.19241	1.7
237.15019	2.6
239.18013	8.1
247.20593	7.1
257.19055	15.2
261.08582	1.5
261.18427	4.2
265.48987	1.5
271.16995	4.5
275.20081	100.0
283.06104	1.4
289.18015	18.9
289.21585	9.5
307.09772	1.5
307.19052	12.5
307.22690	35.4
307.25708	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	307.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91317	0.2
58.06606	0.6
58.49533	0.2
59.74282	0.2
60.08165	3.5
66.56876	0.2
70.69756	0.4
70.70072	0.3
75.37120	0.2
81.54066	0.3
88.07626	0.2
90.83914	0.2
104.10751	100.0
119.01948	0.3
119.74266	0.2
138.82408	0.2
143.01797	0.3
145.03448	0.3
157.03439	0.3
160.09773	0.2
161.10048	0.2
199.04555	0.2
277.07846	0.3
295.08777	0.3
307.07947	6.3
307.10522	2.2
307.15460	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1906
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03931	5.0
55.01868	9.0
55.05514	46.3
57.03437	24.7
57.07063	4.9
59.04991	4.0
67.05505	43.9
69.03411	5.3
69.07067	15.7
71.04978	3.5
71.53132	3.9
72.08164	4.4
79.05500	46.7
80.25378	2.4
81.03419	6.8
81.07063	51.1
83.04980	12.6
83.08623	17.6
85.06514	3.7
91.05482	36.3
93.07034	24.3
95.04984	21.0
95.08599	26.4
96.33082	3.2
97.06542	14.2
97.10180	24.2
103.05477	2.9
105.07040	32.7
106.04975	3.2
107.04966	20.0
107.08612	29.1
109.02885	3.4
109.06512	12.3
109.10171	22.4
111.08083	4.5
115.05460	4.3
117.07035	18.3
119.08579	37.2
121.02925	4.3
121.06519	8.5
121.10167	14.7
123.04444	5.1
123.08095	9.4
123.11739	6.1
125.09621	22.9
127.03902	4.2
128.06184	5.2
129.07010	6.2
130.06537	10.9
130.07755	3.9
131.04919	5.5
131.08559	19.7
133.06474	9.4
133.10143	16.9
135.04550	3.0
135.08069	21.0
135.11700	7.8
137.09636	4.0
139.03876	45.4
143.08566	10.7
145.06442	3.8
145.10150	16.9
147.04581	3.4
147.08063	12.7
147.11725	8.4
149.09657	5.3
149.13292	3.6
151.07549	6.2
153.09116	4.0
155.08557	8.6
157.07570	9.1
157.10120	8.9
158.05989	10.5
159.08087	46.8
159.11691	9.6
161.09598	9.1
163.03966	4.0
163.11276	3.7
165.12769	6.1
167.08496	2.8
169.10126	4.5
171.11734	4.9
173.09583	8.8
175.08659	7.3
175.11102	6.4
177.09171	3.6
181.10216	5.8
182.86787	3.0
183.11729	5.8
185.09671	6.8
185.13239	3.0
187.14769	8.1
189.11195	7.3
191.10786	3.6
197.13371	3.8
199.14772	3.5
201.12694	3.3
209.13315	3.9
215.14357	6.5
217.15826	4.9
231.13824	3.7
233.15410	14.2
239.17963	6.0
243.17464	7.3
248.20213	5.2
251.14301	5.0
253.15886	10.1
261.18558	11.3
265.22827	4.3
271.16998	24.4
275.20178	6.1
289.17963	100.0
307.19482	26.2
307.23862	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	307.1653
Annotation	Antibiotic KO 7888C
Peak:m/z	Relative Intensity
53.03954	1.7
55.01862	3.0
55.05516	10.5
56.79897	1.0
57.03188	1.7
57.03440	18.4
57.07056	2.9
64.27087	0.9
66.17268	1.0
67.05495	7.8
68.99746	1.0
69.03410	2.3
69.07082	10.4
70.06584	1.4
71.04989	2.8
71.53819	1.2
72.04526	2.0
79.05505	6.8
80.05016	1.8
81.03419	2.4
81.07066	16.3
82.06577	2.0
83.04960	2.9
83.08619	4.1
85.02910	2.6
85.06554	1.5
91.05496	7.8
93.07050	12.9
94.06579	6.7
95.04985	8.1
95.08612	12.1
97.02907	1.0
97.06518	3.5
97.10150	1.8
99.00822	1.2
105.07047	5.9
106.06537	3.9
106.94320	1.1
107.04938	2.3
107.08604	7.1
108.08125	2.9
109.06531	3.1
109.10159	6.2
111.08096	3.7
117.07024	3.5
118.06606	5.4
119.07327	1.3
119.08595	8.1
120.08103	5.0
121.06540	1.8
121.10139	5.6
122.09651	2.8
123.04437	1.3
123.08075	1.1
123.11710	2.4
125.09594	2.1
127.03905	3.6
129.06996	1.5
130.06544	3.5
131.07323	2.2
131.08583	3.3
132.04474	1.6
132.08084	7.2
133.08853	3.3
133.10091	2.7
134.06004	2.5
134.09682	12.6
134.29552	1.0
135.04428	1.4
135.08089	2.0
135.10419	1.5
135.11670	2.7
136.07544	1.7
136.11217	11.3
137.13306	1.7
138.05508	2.8
138.09129	1.8
139.03899	15.3
139.11162	1.2
144.08095	4.6
145.08876	3.5
145.10056	2.2
146.06004	6.1
146.09653	12.2
147.06787	2.3
147.07935	1.6
147.10448	2.2
147.11684	2.6
148.07585	4.5
148.11211	11.5
148.59346	1.2
149.09579	1.7
149.13231	2.3
150.09157	6.0
151.03867	1.8
151.07520	1.3
151.11267	1.3
152.09766	1.0
153.12721	1.0
157.07613	2.6
157.10065	1.2
158.06017	4.3
158.09544	1.6
159.07983	1.1
159.11618	1.7
160.07617	3.6
160.11253	7.9
161.13286	2.9
162.05522	3.4
162.09174	3.8
162.12764	2.1
163.03835	1.8
163.09874	1.5
164.03485	2.7
164.10713	1.6
169.05025	1.3
170.09636	1.4
171.10310	1.3
172.07639	5.6
172.11197	1.8
173.08340	1.9
173.09663	1.5
174.09143	4.1
174.12823	8.1
175.11159	2.1
176.10759	2.3
178.05074	1.5
180.06528	1.5
187.09886	2.7
187.12360	1.1
188.10710	33.7
189.11409	1.5
190.08644	2.9
190.12321	3.1
191.08287	2.6
191.13037	5.0
192.06578	13.6
192.10222	3.8
192.13834	29.0
193.13416	1.6
200.14438	1.8
202.12292	20.8
204.13853	4.9
205.13432	2.5
206.11835	2.0
207.14989	1.4
216.10188	5.8
216.13867	5.1
218.08188	1.8
218.15521	1.8
220.09773	7.5
226.12309	1.8
230.08154	1.4
230.11752	1.4
233.12842	7.0
234.11276	12.5
236.09203	9.9
244.13351	26.7
246.14935	1.1
248.09216	12.4
248.12865	2.9
251.13985	10.7
261.08612	1.5
261.16037	14.1
262.14401	5.0
265.11792	2.1
271.16937	2.5
271.24295	2.0
272.12869	4.0
289.15436	7.0
289.17953	5.4
290.13879	47.9
301.45544	1.1
307.16510	100.0
307.26300	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	307.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41347	0.7
57.22838	0.8
70.32822	1.2
70.33219	1.9
82.02956	1.0
85.02907	1.6
87.00840	2.4
94.06565	1.4
115.05498	0.9
118.40544	0.8
127.03944	1.7
128.90814	0.7
130.06541	89.5
132.04463	22.2
146.06024	7.3
157.07631	80.8
158.06029	100.0
173.07149	4.9
175.08682	49.9
176.07106	1.1
197.07114	1.5
199.08612	2.5
200.49757	0.7
201.06602	6.3
203.08156	5.0
221.09248	2.9
225.06606	1.5
243.07648	9.5
245.09232	3.1
247.07205	3.4
261.08728	55.6
262.08978	1.0
270.42926	0.7
271.07199	2.4
289.08215	16.9
307.09293	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	307.0813
Annotation	(2R)-2alpha-(3,4,5-Trihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran
Peak:m/z	Relative Intensity
53.00313	0.5
53.02228	0.2
53.03951	0.3
55.01871	0.6
65.03941	0.7
66.17728	0.2
67.05494	0.5
68.99787	0.9
70.73271	0.7
71.40617	0.2
79.05448	0.3
79.59231	0.2
83.04974	0.4
84.08154	0.3
85.02892	0.5
93.03403	0.6
95.04963	2.0
97.02914	0.3
107.04973	1.3
111.04446	1.3
117.03368	0.3
121.02879	0.9
123.04446	0.9
127.03874	0.3
130.06529	1.3
131.04936	1.0
133.02864	1.2
135.04410	2.8
139.03905	100.0
139.54150	0.3
145.02896	0.4
149.05992	0.7
151.03918	4.5
153.01790	0.4
153.05461	0.8
157.07574	1.5
158.06052	1.0
159.04382	2.2
163.03911	8.6
165.05501	0.3
167.07114	0.5
169.04942	2.2
175.08685	0.6
177.05481	2.5
181.04980	5.7
195.06563	2.3
201.05530	0.3
203.08249	0.2
205.04904	1.0
223.05975	1.3
245.09363	0.3
247.06036	0.8
262.63898	0.3
271.07224	0.4
289.07248	0.9
307.08035	1.2
307.16809	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0431
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99064	0.8
71.43907	1.3
71.69423	0.9
75.92607	0.9
78.95638	2.2
79.00677	0.9
94.93021	29.1
96.92239	1.8
98.97583	1.2
109.91735	1.1
112.89615	14.1
114.89330	4.8
119.75883	1.0
136.94070	1.2
150.92026	1.0
168.57372	0.9
174.91711	7.5
190.91202	1.3
200.75847	0.9
202.89114	100.0
208.97270	25.9
208.99266	1.1
214.94856	3.3
216.90689	3.4
217.02834	1.1
218.92325	2.7
226.03456	0.9
230.88628	2.3
232.92216	4.6
234.93892	4.1
239.40135	1.0
244.90218	5.5
246.88145	4.4
248.89757	1.5
261.03033	2.0
275.39746	0.9
282.16003	1.1
306.90195	6.0
306.93842	6.6
306.99570	4.7
307.04132	6.2
307.09937	2.0
307.16241	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12716	3.2
53.02098	3.6
56.98198	3.7
70.12358	11.5
70.12724	6.2
79.15399	2.9
101.00919	4.3
104.10757	95.0
120.95053	3.9
128.98698	3.7
307.07828	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0794
Annotation	(2R)-2alpha-(3,4,5-Trihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran
Peak:m/z	Relative Intensity
55.01874	2.5
56.96333	3.0
56.96570	33.2
57.03430	6.0
57.57558	2.0
59.65786	1.8
61.02925	3.4
64.79958	2.1
67.05514	2.8
69.03436	10.5
70.03770	9.6
70.06586	3.2
70.98119	2.5
71.04980	2.9
72.08150	2.1
73.02930	3.6
74.86000	1.9
81.03411	6.4
84.56306	2.3
84.96036	7.1
85.02917	18.5
86.06083	4.6
87.04454	2.9
95.04988	2.4
96.05595	2.1
97.02895	10.5
98.21400	2.6
98.97594	72.4
99.04453	2.6
100.99139	3.9
101.00894	8.6
109.02898	2.4
110.97595	26.0
112.99072	3.5
116.07053	3.2
116.98628	15.8
119.01962	9.9
123.04420	2.5
124.99141	4.5
127.00717	2.9
127.03925	6.6
128.98621	15.4
130.06531	8.1
131.00194	4.6
131.04880	2.2
132.04466	3.9
133.01643	2.1
134.99677	2.9
135.04460	2.5
135.15289	1.8
139.03912	100.0
140.98613	4.6
141.49124	1.9
143.00188	8.0
143.01913	6.5
144.98120	2.6
145.01717	4.3
145.04988	3.2
145.06071	2.4
146.99677	7.3
147.03230	2.3
151.03868	2.6
152.98628	8.7
155.01988	2.4
156.98119	2.5
157.03497	6.0
157.07593	10.1
158.06026	12.5
158.99692	9.3
159.09200	3.0
161.01225	5.3
161.02972	7.7
163.02727	3.9
163.03935	9.7
170.99687	6.3
173.01309	2.9
173.02975	3.9
174.99168	6.9
175.08580	4.0
177.00778	5.1
181.04967	4.7
187.04495	3.7
189.00720	5.6
193.00233	2.7
195.06467	2.6
196.54715	6.6
198.22749	2.5
201.00766	7.5
203.07709	2.6
205.03708	2.4
207.01724	3.1
219.01779	28.5
219.03644	3.2
233.99928	2.2
237.02821	21.6
245.09073	2.2
247.04910	8.4
261.08713	3.6
265.05951	47.2
269.05609	2.6
283.07043	5.3
289.04251	2.0
305.10825	2.8
307.07202	55.7
307.17715	4.6
325.08136	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	306.2064
Annotation	9-Demethylprotoemetinol
Peak:m/z	Relative Intensity
51.16819	0.3
55.05499	1.3
56.09721	0.3
57.07075	2.2
58.06596	0.7
67.05506	0.7
69.03426	1.2
69.07056	0.9
70.06596	8.4
70.11981	0.7
70.12400	0.6
71.04984	0.7
71.08627	1.3
72.08158	0.9
79.05494	0.9
81.07074	1.8
82.07419	0.5
84.08140	1.3
85.02916	0.5
86.09710	1.3
88.07164	0.4
88.07642	3.4
91.05485	1.2
92.05009	2.7
93.05751	0.5
93.07048	1.3
94.06582	0.8
94.07363	0.6
95.04984	0.4
95.08616	1.1
99.04457	0.5
101.06046	0.4
102.09185	1.7
106.06561	1.2
106.07249	0.4
107.08598	0.6
109.10139	0.6
117.05773	0.8
118.06550	11.2
119.07311	1.7
119.08594	0.6
120.08099	1.0
121.10164	0.5
122.10507	0.4
123.11755	0.4
127.03924	2.0
128.04257	1.0
130.04994	0.3
130.06535	1.1
132.08090	1.6
132.10210	2.8
133.08861	0.5
134.09615	0.5
137.05991	1.2
139.03899	0.7
140.04320	0.4
146.09668	0.7
146.11751	3.3
151.03859	0.7
152.04234	0.7
156.17523	1.0
162.09142	10.8
162.10489	0.5
163.08734	0.4
163.09917	2.5
176.10722	0.4
176.14346	7.5
179.03447	0.4
180.03702	0.6
182.19226	0.3
200.20111	8.6
202.15944	1.6
230.15405	15.4
244.22734	16.3
246.14899	0.6
262.18130	1.7
270.23053	0.4
274.17947	0.5
288.05841	0.4
288.19653	0.6
288.25302	0.5
306.20685	100.0
306.26263	45.4
307.05905	0.7
307.20990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1701
Annotation	Convolamine
Peak:m/z	Relative Intensity
55.05486	0.3
57.03440	1.8
67.05495	0.4
69.39223	0.6
69.39624	1.9
71.01351	1.3
75.49232	0.3
81.03403	0.3
81.07041	0.3
85.02909	35.0
92.96928	0.3
93.07041	0.5
95.01322	0.4
95.08584	0.3
95.11315	0.3
103.03945	0.6
111.61512	0.3
113.02357	1.2
118.06547	11.2
119.07375	0.5
120.08169	0.3
127.03916	1.0
128.04240	0.8
130.06496	0.4
131.03415	1.3
132.08099	4.3
133.08861	2.4
134.09645	1.2
137.06010	0.5
139.03888	0.4
146.09642	3.9
147.10452	0.5
151.03986	0.3
152.04245	0.6
160.11227	0.3
176.14355	78.1
179.03371	0.4
195.79596	0.3
202.15820	1.4
216.13815	0.7
234.15428	0.3
239.17406	0.3
241.67052	0.3
246.14851	0.5
249.05666	0.3
262.10745	0.3
265.09055	0.6
267.06824	0.4
268.59262	0.3
283.09888	1.2
288.15881	1.0
306.16995	100.0
307.17380	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66569	0.2
57.36700	0.2
67.05495	0.5
69.07063	1.4
70.03770	0.8
73.81098	0.3
79.05476	0.8
81.07050	1.1
91.05495	0.3
92.27640	0.3
93.07043	0.5
94.04194	1.9
95.08575	0.3
97.06555	0.3
100.07657	0.3
103.29744	0.3
105.07074	0.3
107.08608	0.6
109.06520	0.3
109.10183	0.6
114.09174	0.6
122.03642	5.9
133.10127	0.9
135.11682	1.0
137.05981	100.0
147.11653	0.4
151.11159	0.4
153.12764	1.4
170.15387	2.0
182.15416	2.8
214.35173	0.3
282.31927	0.3
306.20737	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	305.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92362	0.8
53.03952	1.1
55.01867	2.1
55.05515	7.2
57.03437	1.5
57.07062	1.7
65.03942	2.4
67.05508	25.0
68.99786	3.1
69.03423	3.0
69.07071	14.8
69.63398	5.2
70.19828	0.7
71.05000	5.3
71.08630	1.0
79.05491	9.0
81.03431	7.1
81.07062	34.1
82.93062	1.0
83.04976	2.3
83.08618	6.4
84.08140	1.4
85.02898	1.5
85.06544	5.0
87.00808	1.7
87.04442	0.8
91.05476	7.5
93.07057	18.2
95.04969	6.8
95.08615	31.2
97.02904	1.2
97.06510	4.2
97.10155	4.0
98.21487	1.0
98.97590	1.5
99.04446	1.3
99.08114	2.0
105.03391	1.8
105.07030	8.5
107.04974	1.4
107.08604	10.1
109.02882	13.3
109.06506	1.9
109.10164	21.1
111.00785	1.8
111.04419	1.3
111.08106	2.0
111.11743	3.0
113.05982	0.9
115.03924	0.9
115.05434	1.6
117.07018	2.3
119.05022	0.9
119.08573	7.0
120.08107	1.1
121.02828	1.1
121.06583	2.2
121.10161	13.6
123.04430	18.4
123.08081	1.8
123.11716	8.4
125.05940	1.1
125.09641	2.4
127.03925	100.0
128.04248	1.2
129.06992	2.6
130.06534	1.1
131.08571	6.1
133.02887	5.5
133.06549	1.0
133.10130	9.3
135.08072	1.9
135.11691	10.6
137.05980	1.3
137.09598	3.8
137.13210	2.1
139.03909	32.5
139.11185	1.6
141.06981	3.6
142.07767	1.0
143.08662	1.0
143.10692	0.9
145.06497	1.8
145.10149	4.4
147.04440	5.2
147.11690	3.8
149.02362	2.0
149.09644	1.8
149.13330	4.5
151.03914	61.2
151.07571	1.3
151.11163	3.2
151.14835	1.2
153.01826	1.6
155.03415	14.4
155.08464	1.3
157.06517	1.7
157.10068	1.5
158.06015	3.9
158.07274	3.3
159.08086	1.5
159.11682	3.2
161.13249	2.3
163.11157	1.0
164.07101	1.0
165.05513	2.3
167.03456	1.3
167.10696	1.1
169.06473	1.9
169.12317	1.0
170.07407	0.8
171.04434	1.7
173.05884	1.1
173.07159	1.9
173.13286	2.5
174.06801	2.6
175.03914	7.5
175.07480	1.2
175.14825	1.1
176.14328	1.2
177.05519	3.8
177.12749	1.6
179.03412	38.4
180.03645	1.0
183.08134	0.9
185.05971	1.2
186.06758	3.8
187.07545	1.7
189.09108	3.7
189.16405	1.3
191.02182	0.9
191.17963	7.7
191.57796	0.7
193.05022	1.9
195.13846	1.9
199.03931	2.3
201.05441	1.6
201.09117	19.5
203.03409	6.2
209.19058	4.2
212.09586	1.1
213.05591	4.7
213.13780	1.0
213.16585	0.9
215.10686	2.0
215.17950	7.8
217.05040	1.6
219.10266	3.0
221.04538	1.1
225.22131	1.5
227.19958	1.4
231.06538	1.8
233.19025	5.4
241.04892	3.0
243.10306	1.2
245.04492	1.3
247.05911	1.5
251.20099	8.1
259.06049	3.2
269.04395	1.2
269.12833	2.0
269.20950	5.1
275.05438	2.0
277.07065	6.8
287.05530	18.7
287.08783	0.9
287.13992	3.7
287.23459	1.6
288.05624	1.2
305.06528	36.1
305.10229	15.9
305.15198	1.2
305.18466	2.7
305.21747	1.3
305.24808	11.1
306.07050	1.8
306.10501	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78740	1.1
53.03951	2.0
55.01882	3.0
55.05515	6.5
57.03429	4.2
57.07084	1.9
59.04997	1.9
61.02919	3.2
65.03927	1.6
67.05511	14.1
67.31260	1.1
68.99805	3.7
69.03437	3.2
69.07065	7.0
69.27980	5.5
69.28407	4.3
72.93797	1.0
73.02921	1.6
79.05499	6.6
81.03412	4.6
81.07070	11.0
83.04978	7.7
83.08607	3.2
85.02914	2.6
85.06566	2.3
88.07635	1.4
91.05495	12.3
93.07054	25.5
95.04975	7.2
95.08613	19.2
97.02898	3.1
97.06548	3.9
97.10168	1.9
98.97578	4.8
99.04481	1.6
101.06061	1.4
105.03376	1.8
105.07040	13.2
107.08591	16.6
109.02894	13.7
109.06528	3.1
109.10163	7.6
111.00806	2.5
111.04472	2.2
113.06014	1.3
115.05477	1.5
117.07038	4.1
119.08608	17.4
121.02918	1.3
121.06511	3.7
121.10149	20.3
123.04440	17.0
123.08080	4.1
123.11745	3.5
125.05918	1.4
125.09599	2.2
127.03925	100.0
128.06230	1.9
129.07016	2.8
130.06525	1.9
131.00192	4.2
131.08592	12.8
133.02855	5.5
133.10149	8.8
135.08104	3.8
135.11725	4.5
137.09645	3.0
139.03920	28.0
139.07539	1.5
139.11235	2.5
142.07758	2.2
143.07033	1.9
143.08556	6.0
144.09322	2.0
145.10124	13.7
147.03104	4.9
147.04446	3.4
147.08066	3.8
147.11691	6.4
149.01244	5.8
149.02280	1.6
149.09615	8.7
149.13304	4.8
151.03920	54.6
153.01894	1.6
155.03409	14.7
155.08559	3.0
156.03641	7.2
156.09355	2.8
156.53882	1.5
157.10136	10.8
158.06021	3.3
158.11000	3.1
158.99716	2.0
159.11710	16.6
161.06000	1.5
161.09592	3.7
161.13268	3.7
165.05533	1.2
165.09126	6.0
167.03476	1.4
167.10754	3.3
167.54413	1.3
169.10175	4.2
171.04388	1.6
171.11678	8.5
173.07222	2.3
173.09744	1.2
173.13246	15.7
174.14035	2.6
175.03928	8.7
175.11105	2.5
175.14841	2.8
177.05573	1.3
177.12790	2.1
179.01823	2.3
179.03401	41.3
179.08627	1.2
179.10594	1.5
183.11682	3.1
185.13287	6.8
187.06274	1.5
187.11200	3.9
187.14818	4.4
189.12805	1.9
191.14395	1.7
195.11624	2.1
197.13222	1.4
199.11220	2.1
199.14833	5.3
201.05469	1.7
203.03415	5.0
203.14352	3.5
209.13341	1.7
211.14905	3.0
213.05437	3.1
213.12712	1.7
213.16402	6.0
215.18015	3.1
217.04916	3.0
217.12350	1.4
221.04549	1.3
224.08064	34.6
224.58258	4.4
225.16386	3.5
227.14368	1.9
229.07428	5.6
229.15984	2.6
231.06552	2.4
231.13829	2.1
231.17508	1.5
240.72548	1.3
241.04985	3.0
241.19536	5.2
244.59354	1.9
247.08562	3.3
259.06055	3.9
269.19077	7.7
275.05518	2.9
277.07162	6.9
287.05511	19.0
287.20111	9.6
305.06589	35.3
305.10675	17.9
305.17682	2.5
305.21179	17.6
305.24670	3.1
305.28839	4.6
305.60953	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	305.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.7
55.01870	3.0
55.05514	8.6
57.03444	1.3
57.07068	1.9
59.04999	1.5
65.03937	3.3
67.05509	49.9
69.03422	1.1
69.07071	5.0
71.04990	1.2
75.22868	0.8
79.05500	13.7
81.03414	2.2
81.07061	13.3
83.04956	1.1
83.08611	1.1
85.06516	1.5
91.05482	14.1
93.07055	15.8
95.04975	100.0
95.08613	9.7
96.43417	0.9
97.06526	3.9
97.10150	1.8
98.21502	3.6
105.07038	11.0
107.04951	8.3
107.08610	7.6
107.29189	0.8
109.06520	4.1
109.10165	2.7
111.08080	3.3
115.05431	1.3
116.06213	0.9
117.07042	4.0
119.08611	5.6
121.06512	6.7
121.10168	4.6
123.08071	1.9
123.11685	0.9
125.09635	2.0
128.06190	1.2
129.07010	2.9
131.08569	9.7
133.06467	4.8
133.10138	3.5
133.11090	0.8
135.08081	3.2
135.11688	3.5
137.06021	4.2
137.09598	0.9
139.03864	0.8
143.08562	4.9
145.06474	1.0
145.10117	6.2
147.08044	5.1
147.11697	2.3
149.09625	2.8
149.13333	1.9
149.28836	0.8
151.03993	1.1
157.10170	2.1
159.11702	2.9
161.09613	2.2
161.13208	1.1
163.07471	0.9
163.11250	2.3
169.10226	1.9
176.69583	0.9
177.12785	3.3
178.33884	0.9
185.13301	0.9
187.11223	1.7
195.11647	1.5
195.31013	0.9
205.12288	2.7
227.17886	1.4
245.18883	1.0
273.15518	1.7
273.18500	32.3
299.35147	0.9
305.15530	1.0
305.21201	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	305.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.7
55.01875	7.6
55.05515	52.8
57.03441	6.9
57.07072	4.8
61.37286	3.0
65.03945	4.3
67.05508	65.4
68.99783	4.8
69.03430	7.6
69.06795	3.3
69.07079	36.4
71.04981	3.2
73.06570	2.9
77.03934	4.0
77.63888	3.3
79.05077	4.8
79.05502	74.5
81.07056	88.0
83.04981	10.9
83.08621	18.4
85.06557	12.1
91.05489	100.0
93.06490	4.3
93.07054	80.8
95.04971	12.9
95.08612	54.8
97.06538	10.4
97.10178	14.0
98.20771	12.3
105.07040	73.6
107.04974	10.7
107.08588	47.6
107.77737	3.2
109.02869	11.7
109.06525	16.5
109.10159	14.5
111.08070	7.3
115.05457	7.0
116.06208	4.3
117.07020	45.6
119.08593	48.5
121.06524	16.2
121.10151	33.3
123.04442	14.4
123.08072	10.8
125.09633	11.7
127.03921	78.7
128.06201	16.9
129.07011	28.1
130.07787	12.0
131.08583	99.8
133.06538	5.4
133.10155	28.9
135.08061	12.8
135.11716	19.3
137.05959	12.3
137.09680	7.9
139.03923	25.2
139.11179	12.5
141.06995	12.0
142.07799	4.8
143.08572	80.1
145.10126	96.7
147.04453	4.3
147.08043	14.3
147.11684	12.2
149.02412	5.8
149.09605	10.6
149.13261	6.5
151.03926	40.6
151.11203	3.3
155.03384	9.2
155.08565	6.4
157.10124	25.0
158.06009	6.3
159.10526	4.5
159.11674	23.2
161.09561	15.4
161.13347	3.7
161.81198	3.4
163.11191	7.0
167.08664	5.3
169.10153	12.8
171.11650	25.0
173.09651	4.3
173.13242	6.7
175.03926	6.9
175.11224	6.7
177.12776	3.9
179.03378	27.2
181.10133	8.4
183.11710	11.9
185.13284	10.2
195.11621	22.2
201.12744	4.0
203.14429	3.8
213.12799	5.7
227.18013	12.1
229.56599	3.8
237.16367	23.0
245.18976	6.7
255.17366	20.3
273.18518	46.9
277.07108	4.2
287.05560	16.7
287.17017	3.9
287.19946	16.0
305.06638	25.7
305.21100	29.6
305.24710	9.5
305.31403	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	305.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01609	0.5
51.02369	0.5
53.03938	2.0
53.29303	0.5
55.01627	0.8
55.01875	9.8
55.05263	0.8
55.05515	11.5
57.03442	7.6
57.07060	0.6
59.04997	0.6
60.29387	0.4
63.71929	0.4
65.03948	4.6
67.05507	58.8
68.05853	1.7
69.03434	2.2
69.07069	8.0
70.65156	0.9
70.65526	0.9
71.04987	1.1
73.06548	0.6
79.05495	24.7
81.03410	2.5
81.07057	23.1
82.07384	0.7
83.04992	1.7
83.08640	3.1
85.05267	0.5
85.06530	2.6
91.05484	22.9
92.05802	0.7
93.07047	22.8
95.04971	100.0
95.08610	12.5
96.05334	0.4
96.08952	0.9
97.06535	7.2
97.10169	2.2
98.06074	3.5
99.06410	1.4
99.08083	0.5
103.05490	0.8
105.07035	18.2
107.04960	11.2
107.08602	15.7
108.08916	0.5
109.02868	0.8
109.06521	26.7
109.10158	3.5
110.10551	0.6
111.08092	3.3
112.07594	0.5
115.05468	1.9
116.06252	1.3
117.07015	8.2
119.05073	0.5
119.06069	0.6
119.08598	7.1
121.06516	7.3
121.10143	5.1
123.04473	0.9
123.08080	3.4
123.11761	1.2
125.09636	1.0
127.03936	2.2
128.06241	1.0
129.07005	4.6
130.07805	0.6
131.08574	16.1
133.06497	4.6
133.10129	5.5
133.10962	0.6
135.08060	30.9
135.11685	5.8
137.05952	2.6
137.09676	0.9
139.03934	0.5
141.07008	0.8
142.07811	0.8
143.08575	8.5
145.06522	1.2
145.10123	9.4
147.08052	8.1
147.11668	3.2
149.09616	6.0
149.13254	3.0
151.03947	1.7
151.11206	0.7
155.06073	0.4
155.08577	0.8
157.10149	3.9
159.08073	1.8
159.11684	5.0
161.09624	4.5
161.13268	1.1
163.07532	0.9
163.11214	3.4
165.12813	0.6
167.08611	0.4
169.10136	2.0
171.11693	3.1
171.17464	0.4
173.09642	0.6
173.13329	1.3
175.11247	1.8
175.14793	0.5
177.12752	4.3
179.03416	0.5
181.10089	0.9
183.11731	1.8
185.09680	0.7
185.13300	1.8
187.11217	2.7
189.12843	0.7
195.11734	1.6
199.11232	0.8
199.14894	1.8
201.12796	1.7
205.12218	2.5
209.13448	0.5
209.15388	0.6
217.14069	0.9
217.15910	6.5
225.40033	0.4
227.17912	2.1
229.15971	1.1
233.15509	1.1
237.16409	2.0
245.18964	2.1
255.17583	3.3
273.18497	44.0
287.20212	1.0
305.15982	0.7
305.21182	25.8
305.26663	33.0
305.30579	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01883	0.3
55.05518	0.6
55.73318	0.2
56.05032	0.5
57.03447	0.5
63.90165	0.2
65.03955	0.3
67.05524	1.4
67.05826	0.2
68.99800	0.7
69.03445	0.9
69.07082	0.4
71.52654	0.3
79.05513	0.6
81.03424	0.8
81.07059	1.8
83.05000	0.4
83.08628	0.2
84.04512	7.8
84.08142	0.2
85.02914	13.4
86.06088	0.6
87.04481	0.6
91.05495	0.5
93.07047	0.9
95.01344	1.8
95.04982	1.0
95.08623	1.0
97.02930	0.3
97.06548	0.4
98.97663	0.4
99.04487	0.3
102.05550	6.7
102.94598	0.2
105.03426	0.4
105.07025	0.8
107.08612	0.4
109.02900	2.3
109.10167	0.6
111.00820	0.5
111.04448	1.1
111.08063	0.4
112.03976	0.9
113.02379	1.1
115.05478	0.3
116.98666	0.2
117.07027	0.3
118.06552	5.4
119.04909	0.3
119.07297	0.3
119.08532	0.5
121.10190	0.5
123.04446	3.6
123.11699	0.4
124.07617	0.8
125.05932	0.2
127.03929	17.0
129.07001	0.4
130.05017	40.9
131.00140	0.2
132.08081	2.6
133.02872	1.2
133.08884	1.4
133.10118	0.4
134.09689	0.6
135.11684	0.3
136.07588	4.9
137.02365	0.3
137.05966	0.8
137.13058	0.2
139.03918	6.1
139.11258	0.3
145.06459	0.3
146.09651	2.0
147.04431	1.1
147.10526	0.3
147.11694	0.4
149.01311	0.3
149.02327	1.1
151.03920	10.0
152.07068	1.0
153.01871	1.8
155.03406	2.5
156.03662	0.3
157.06528	0.4
158.06027	1.0
158.87047	0.2
164.07083	3.8
170.08134	0.4
173.07178	0.4
174.06827	0.3
175.02554	0.2
175.03918	1.4
175.07539	0.3
176.14362	100.0
177.05498	0.3
177.14705	0.6
179.03421	6.4
182.08173	0.8
185.05988	0.6
189.09117	0.7
195.02888	0.2
201.05533	0.2
201.09203	0.3
202.15979	0.8
203.03435	0.7
207.10165	1.4
212.09598	0.4
213.05510	1.0
216.13824	0.6
217.04851	0.3
217.08611	0.4
221.04645	0.2
224.08055	1.2
229.04987	0.3
231.06558	0.7
241.04970	0.7
245.04617	0.3
245.08046	0.4
259.05957	1.0
269.04504	0.2
269.12918	1.3
275.05545	0.5
277.07086	1.0
287.05536	3.1
287.08664	0.3
287.10181	0.3
287.13754	0.8
287.17117	0.3
288.15976	5.5
305.06607	6.3
305.10941	0.8
305.18604	33.8
305.24533	0.9
306.19193	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	305.153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01869	4.1
55.05264	1.5
55.05515	18.8
56.05031	4.2
57.03433	1.0
57.07079	20.7
58.99617	1.2
62.71807	0.8
65.03918	1.7
67.05492	4.5
68.99792	2.2
69.07075	9.2
69.79281	1.1
70.44654	2.1
70.44999	1.4
71.05003	1.7
72.04523	1.4
79.05484	4.0
80.39989	0.9
81.03402	3.0
81.07059	10.6
83.04971	3.1
83.08630	1.4
84.04521	1.4
84.08136	4.0
85.01120	7.1
85.02882	1.2
85.06528	2.7
87.08110	100.0
90.05552	4.5
90.09251	1.0
91.05491	3.8
93.07066	9.3
95.04979	5.4
95.08620	8.5
97.01101	0.9
97.06552	2.5
97.10191	1.3
98.02423	2.4
98.06036	2.5
98.09718	7.2
98.21355	1.0
99.08141	1.0
102.03780	10.5
105.07041	5.5
107.08599	9.9
109.02889	6.1
109.06509	2.7
109.10157	5.5
109.89388	1.0
110.08874	0.9
110.09659	2.3
111.04439	3.3
111.08070	1.2
111.11737	1.2
113.04252	1.5
115.05448	1.6
116.01711	1.9
116.07104	11.5
117.07024	1.1
119.08591	4.3
121.06543	1.8
121.10137	6.1
123.04437	20.4
123.08105	1.0
123.11701	4.8
125.09581	1.3
126.05540	10.3
126.64198	0.9
127.03925	43.2
130.06525	14.7
131.08546	1.3
132.08054	9.0
133.02831	1.3
133.10138	3.5
135.08092	1.9
135.11674	3.4
137.05977	2.5
137.09625	1.4
138.30084	1.2
139.03903	12.0
139.11182	2.3
142.06520	2.7
143.07248	1.3
144.06569	1.3
144.10220	5.1
145.10109	1.7
147.04390	2.4
147.11674	2.2
149.06026	2.8
149.09630	1.3
149.13232	1.6
151.03922	22.7
151.11145	2.2
155.03331	4.9
156.08403	7.0
156.70667	1.1
157.07607	2.4
157.10075	1.2
158.02768	4.9
158.06084	5.4
158.08319	1.1
159.09178	26.9
159.11717	3.4
160.07594	10.4
161.13303	1.7
163.11250	1.9
170.06038	13.4
170.11769	3.9
171.11821	1.2
173.07195	1.8
173.13321	1.6
174.05542	1.1
175.03928	2.9
176.03729	1.2
176.14375	1.5
179.03398	17.7
181.07697	1.2
183.06512	2.7
183.09203	1.4
184.07576	6.5
185.05635	1.6
185.07126	13.7
187.08696	2.8
189.16499	1.1
190.12291	1.7
193.04918	1.3
200.07048	3.5
201.06958	2.7
201.10234	4.2
201.16409	1.6
202.05455	4.6
202.08636	12.0
203.03340	2.3
213.05458	1.0
217.04869	1.1
219.08000	34.4
219.10129	2.1
227.08220	13.0
230.08498	8.1
243.11403	1.8
245.09254	41.9
255.07663	2.0
255.11620	1.6
259.05951	1.6
273.08798	6.4
273.12689	96.7
275.05536	1.6
277.07117	2.5
287.05475	6.3
287.10208	1.9
287.19739	1.1
287.23688	3.9
292.56781	1.0
305.06546	13.2
305.10428	3.9
305.15308	29.0
305.18417	2.4
305.24762	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	305.1022
Annotation	4'-O-Methylcatechin
Peak:m/z	Relative Intensity
50.06509	0.3
51.02373	0.4
53.03949	0.4
55.01866	1.1
55.05493	0.7
55.34787	0.4
57.03431	0.4
61.02961	0.4
61.92028	0.3
65.03936	1.6
67.01869	0.4
67.05523	1.7
68.99791	2.4
69.03420	1.0
69.07067	0.7
71.52081	0.4
71.52461	0.5
72.04510	0.5
74.96081	0.4
79.05498	1.1
81.03416	1.4
81.07063	1.0
83.04991	1.0
84.08111	0.6
84.33561	0.3
85.02892	0.9
85.06566	0.4
91.05498	1.8
93.03393	0.9
93.07039	0.7
94.04176	0.5
95.04973	2.4
95.08628	0.8
97.02900	0.9
97.06512	0.4
98.97556	0.8
105.03375	0.4
105.07029	1.1
107.04967	1.1
107.08611	0.5
108.48759	0.3
109.02876	3.1
111.00816	1.0
111.04466	2.6
113.23924	0.3
115.05462	0.9
119.04967	3.7
121.02866	1.5
122.03603	1.8
123.04435	10.7
125.09618	0.5
127.03931	26.6
128.04201	0.4
129.06990	0.4
130.06526	1.4
133.02856	1.8
133.06479	1.0
135.04427	0.7
137.05989	55.4
139.03912	100.0
140.04237	0.6
143.04945	1.7
146.06056	1.0
147.04422	22.5
149.02357	4.5
151.03917	16.5
151.05147	0.8
151.07497	0.7
153.01836	5.4
153.05464	1.1
155.03395	4.3
157.06516	0.8
158.06021	3.6
161.05965	2.4
163.03929	1.2
167.03442	0.9
173.07112	1.7
175.03963	2.1
175.07532	3.5
176.14326	0.4
177.05531	1.0
179.03421	10.6
179.07019	6.1
179.08551	0.5
181.04988	1.6
185.05977	0.9
189.05475	1.0
190.12323	0.5
191.06969	0.5
193.04973	0.6
193.08650	2.0
195.02951	1.1
196.87616	0.4
199.04137	0.5
203.03429	2.0
203.07045	0.5
213.05530	1.9
217.04924	1.2
221.08041	3.6
224.08151	0.6
231.06570	3.1
233.19078	0.4
241.05016	1.2
245.04436	1.0
259.05927	3.8
261.16055	0.5
263.09259	1.2
275.05511	0.6
277.07129	1.6
287.05447	5.6
287.14084	0.9
305.06531	10.8
305.10294	2.9
305.15018	2.1
306.07239	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23164	0.9
53.03919	0.9
55.01871	2.8
55.05480	1.2
56.05033	3.1
56.96570	81.8
57.03440	5.4
58.06612	1.4
58.72552	0.9
59.04991	0.9
60.04505	0.9
61.02938	6.3
64.51984	0.8
65.03927	1.4
67.05508	2.0
68.05020	1.1
69.03434	10.4
69.07058	1.2
69.65709	3.1
69.66138	2.5
70.02958	1.0
70.06583	3.8
70.98128	29.4
71.01369	1.3
71.04976	2.7
71.95280	4.9
72.04514	1.9
72.08151	3.6
72.93799	0.8
72.96036	2.5
73.02915	4.7
74.02442	0.9
74.06083	1.0
74.97617	1.7
75.53149	0.8
76.05126	3.7
79.05491	1.0
80.58604	0.9
81.03425	6.9
81.04554	1.3
81.07065	1.6
83.04993	1.7
84.04513	1.9
84.08141	2.6
84.96041	8.8
85.02916	25.2
86.03696	1.1
86.06071	2.0
86.09699	1.8
86.35007	0.9
87.04493	1.5
88.99165	9.1
90.05544	1.0
91.03941	1.4
91.05485	3.5
91.39644	0.9
94.06570	1.1
95.04976	1.6
95.06128	1.2
95.99100	0.9
96.05608	5.2
97.02901	27.8
97.06548	3.8
97.96799	1.3
98.06045	2.2
98.97592	100.0
99.04459	4.1
99.97914	1.2
100.05177	1.3
100.99168	1.4
101.00880	4.0
102.05550	1.5
102.96965	0.9
103.02460	1.1
105.03424	0.9
105.13319	0.8
107.00241	1.3
107.04976	1.3
109.02868	4.8
110.97569	19.4
111.04453	1.3
111.09245	0.9
112.99134	5.9
113.00903	1.3
114.05540	2.6
115.00710	2.7
115.02446	1.5
116.07077	1.8
116.98639	34.0
119.01921	6.5
119.04957	4.0
121.06535	1.1
123.04422	1.6
124.95499	12.1
124.99160	5.4
125.02363	56.3
125.07093	2.0
126.97062	2.0
127.00729	2.0
127.02392	1.1
127.03922	6.3
128.08214	3.0
128.98624	23.3
130.06555	4.6
130.08598	1.3
130.93321	1.0
131.00204	4.9
131.01894	3.3
132.04463	1.4
133.01714	3.3
133.03523	1.2
134.99680	10.6
137.05983	6.5
138.05498	1.1
138.97052	1.9
139.02382	1.1
139.03920	10.9
140.07079	1.9
140.98586	5.5
141.06561	1.5
142.96529	10.5
143.00200	11.3
143.01987	2.6
143.03410	52.2
143.07114	1.8
143.08136	8.0
144.98079	5.2
145.01712	3.7
145.03445	1.7
145.04950	2.8
146.01241	1.5
146.99673	15.3
147.01480	1.1
147.04388	8.2
149.01230	3.1
151.03911	3.5
152.94923	1.8
153.00681	0.9
154.96506	6.1
155.01872	1.2
155.08276	0.9
156.98100	15.1
157.01663	2.0
157.03491	2.2
157.07646	3.5
158.05992	6.2
158.99663	17.0
159.03253	5.2
159.09209	1.4
160.97586	3.6
161.01236	8.4
161.02942	4.0
161.06619	1.1
162.99130	3.4
165.00722	6.3
166.04794	3.0
168.98038	1.0
169.03439	1.0
169.36549	1.1
170.96042	9.1
170.99664	2.4
171.04926	1.6
172.10828	5.1
172.94392	3.2
172.97606	15.5
173.01245	5.9
173.02950	2.1
174.99165	40.1
175.02692	1.2
175.04518	1.0
175.08701	6.8
177.00735	8.4
177.04291	5.3
177.09814	1.6
179.02150	1.6
179.03519	2.0
179.07187	2.1
182.99664	2.9
184.97607	6.5
185.01274	1.6
185.03004	2.4
186.09608	1.7
186.99155	4.3
187.02814	2.5
187.04544	1.7
187.08199	1.1
188.97087	19.1
189.00676	8.0
189.02211	1.4
189.04272	2.1
190.95601	2.2
190.98645	16.5
191.02345	5.2
193.00227	32.3
193.04369	2.0
196.54771	2.4
197.03096	1.4
198.04597	2.3
199.04451	1.2
201.00731	5.2
201.02361	1.0
202.05045	1.7
202.98668	14.3
203.02055	1.4
203.03835	3.8
203.07990	2.8
205.00266	12.9
205.03825	4.8
206.98152	6.5
207.01839	4.7
207.05206	3.8
207.07196	1.3
207.55449	3.5
208.05025	3.9
208.99660	1.5
211.01276	1.2
212.97093	3.8
214.98642	8.8
215.04037	1.1
215.07607	1.2
216.05853	1.2
216.55902	1.7
217.00208	5.3
217.05548	1.6
219.01787	8.7
220.99722	13.1
221.03217	1.7
221.05261	1.5
221.09225	1.1
223.01257	8.3
223.04942	2.8
224.06902	3.0
228.05501	0.9
230.98158	19.7
232.96451	3.0
232.99702	10.2
234.99127	1.9
235.00955	4.8
237.02779	3.6
239.00578	1.8
239.04340	1.6
244.99695	9.2
245.05092	3.3
245.10416	3.3
246.12335	1.2
248.99240	8.6
250.97493	1.3
251.00897	1.0
251.04390	1.5
257.05176	2.3
261.02719	9.4
262.05997	1.4
263.00726	20.2
263.06454	2.2
269.05447	3.8
271.06689	1.3
273.15579	9.3
275.00717	1.9
279.03876	3.8
281.01862	21.3
281.07849	8.4
282.02722	1.7
287.04617	4.0
287.14285	1.6
290.08508	2.0
293.01700	1.3
293.05060	1.2
296.08524	10.5
296.58533	1.2
299.02869	2.5
304.26114	1.7
305.01779	4.6
305.05640	8.6
305.12378	18.0
305.18033	9.2
311.06458	1.3
323.03027	1.0
323.06583	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	304.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36841	3.2
57.03441	4.4
57.34095	3.5
67.75119	3.4
69.03409	5.2
70.26026	8.5
70.85765	4.0
73.02905	6.4
80.31847	3.3
81.03427	7.2
85.02906	11.9
86.03684	3.6
87.04452	3.1
98.97559	5.3
104.70864	3.4
104.77608	3.5
109.02884	6.2
115.67264	3.3
118.89821	3.0
119.01839	3.8
128.02357	3.3
131.20390	2.8
136.07416	3.8
152.47731	3.1
158.99614	3.6
171.04112	3.2
185.09207	5.4
198.04607	3.6
206.57384	4.5
207.05267	31.8
207.07036	5.9
207.49168	3.3
216.05719	12.2
251.04390	3.4
261.17484	3.5
295.08569	6.7
303.61237	11.2
304.07941	100.0
304.10895	5.0
328.18976	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	303.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.6
54.02068	5.3
55.01866	6.2
55.05516	57.6
57.07077	10.0
57.37319	4.9
65.03948	6.1
67.05512	38.4
68.95224	6.3
69.07074	85.6
69.64700	10.3
69.65093	20.9
73.33894	5.8
79.05489	28.9
81.07061	82.7
83.04999	6.6
83.08622	53.4
85.02887	6.9
85.06530	15.6
91.05494	28.9
93.07027	45.3
95.04958	17.6
95.08604	64.8
97.06538	13.6
97.10160	40.5
105.07021	39.2
107.04967	7.4
107.08584	26.8
109.06516	6.3
109.10162	30.9
111.11714	18.5
119.04910	9.6
119.08600	30.3
121.06471	7.1
121.10162	31.0
123.04443	46.9
123.08120	7.9
123.11688	16.8
125.09618	7.9
125.13213	7.3
131.08543	15.6
133.06488	12.2
133.10123	34.3
135.11742	27.6
137.06021	27.5
137.09615	9.9
137.13268	15.3
139.11234	8.3
145.10127	9.1
147.04396	38.7
147.11638	9.5
148.12071	6.2
149.05922	11.5
151.03931	17.1
151.07552	6.7
151.11130	6.0
151.14830	9.4
153.01805	12.3
153.05333	6.6
157.10141	7.0
161.13278	15.0
163.03883	7.0
165.05400	7.0
165.12817	6.3
167.07071	34.1
175.14839	8.1
179.03349	6.7
179.14366	6.0
217.19576	37.7
229.04968	8.3
235.20573	50.9
248.41212	6.4
253.21651	15.9
285.24231	17.1
303.05002	100.0
303.08188	12.1
303.12384	8.5
303.19525	26.2
303.23178	18.9
303.30838	13.4
304.28436	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	303.1957
Annotation	Trigoheteric acid methyl ester
Peak:m/z	Relative Intensity
53.92251	1.7
55.01865	7.0
55.05267	3.7
55.05516	46.9
55.83946	1.7
57.03434	4.7
57.07056	2.5
67.05512	21.3
69.03442	3.7
69.07070	13.1
69.27534	16.5
72.04510	4.8
79.05494	26.7
80.25450	2.0
81.07074	16.6
83.04990	4.0
83.08630	18.2
85.06528	2.0
91.05500	16.0
93.07058	16.2
95.08639	10.6
97.10181	30.2
98.20755	3.0
105.07031	8.2
107.04953	2.4
107.08602	27.4
109.06505	4.3
109.10162	6.8
115.05493	11.7
117.07030	64.0
119.00277	2.0
119.08586	18.5
119.14209	1.9
123.04420	4.5
125.09642	31.3
128.06219	2.8
129.07030	5.9
131.08588	8.7
133.10155	4.3
135.08054	11.9
137.08629	2.0
143.08543	12.5
145.06497	64.8
145.10143	4.9
147.08025	2.3
147.11671	2.9
151.38702	2.3
153.09125	7.1
155.08566	3.8
157.10129	9.7
157.12192	2.5
159.08029	4.8
159.11742	2.8
161.09676	2.7
173.09666	3.0
174.75015	2.5
183.11736	2.6
197.13326	2.4
203.12820	26.1
208.22331	2.2
215.14479	2.9
225.16385	6.2
235.14758	3.2
236.26793	2.0
240.23230	3.3
241.23601	15.8
243.17436	5.0
248.69131	2.0
253.15958	6.9
271.16949	100.0
303.04944	16.9
303.19565	20.9
303.23239	11.4
303.26920	8.1
303.30493	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	303.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01865	2.4
55.05521	4.5
57.03439	3.0
57.07079	0.8
65.03932	1.2
67.05173	1.1
67.05511	15.1
68.99776	1.0
69.03426	0.9
69.07072	7.6
69.54445	3.2
71.04989	2.5
79.05498	9.8
81.03418	0.7
81.07063	37.4
82.16477	0.6
83.04982	3.9
83.05395	0.6
83.08616	3.8
85.06539	2.3
91.05488	9.6
92.21173	0.6
93.07057	6.4
95.04977	6.8
95.08611	9.9
97.06541	2.8
97.62905	0.6
99.08119	1.6
100.23988	0.6
101.06047	1.0
103.05477	1.2
105.07038	16.3
107.04940	1.3
107.08590	7.6
109.02855	1.2
109.06555	4.5
109.10170	2.0
111.08103	1.5
113.06026	1.0
116.65477	0.7
118.04198	1.2
119.04990	1.1
119.08587	14.8
121.06489	2.5
121.10152	11.5
122.03650	0.9
123.04436	100.0
123.08052	3.1
123.11718	11.7
124.05271	1.9
125.06024	0.8
127.07568	2.0
131.04951	1.2
131.08568	1.6
133.06487	6.3
133.10147	3.3
135.04494	1.1
135.08043	2.6
135.11766	1.0
137.02393	0.8
137.05011	1.1
137.05991	14.2
137.09613	0.9
137.13242	1.2
139.03886	1.4
139.07544	8.5
139.11183	0.7
143.08566	0.8
145.10091	2.0
147.04449	2.7
147.11700	30.9
149.05977	5.5
149.09680	0.9
150.06767	0.9
151.03906	0.8
151.07574	1.8
153.01834	1.7
153.05467	2.0
155.08694	0.7
157.10159	2.5
159.11682	1.4
161.05943	3.1
162.06767	5.2
163.07465	0.6
165.06985	1.0
165.09131	2.6
165.12767	17.0
167.07053	60.8
173.09746	0.7
175.11229	1.9
179.07118	1.2
181.08673	2.0
183.02904	0.8
183.08011	1.4
183.13821	2.6
193.08636	7.1
193.12302	2.2
199.14751	0.7
201.05751	0.8
211.07495	1.4
211.13240	0.9
225.08942	0.9
229.04964	0.9
229.14374	5.2
243.10257	1.4
267.15924	24.2
271.09656	2.4
285.16956	25.8
303.05020	13.6
303.08295	1.9
303.12347	2.4
303.19928	1.3
303.22958	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	303.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96378	1.5
53.03951	2.8
55.01865	5.3
55.05516	15.2
55.34518	1.6
57.03447	11.2
57.07090	3.6
67.05511	31.3
69.03423	1.8
69.07074	23.0
70.93086	2.9
71.05000	6.4
79.05495	20.4
81.07061	100.0
83.04991	7.9
83.08627	12.2
85.06554	7.9
91.05491	30.0
93.07057	18.2
95.04983	6.6
95.08609	32.2
97.06544	10.1
99.08091	5.6
101.06015	1.7
102.79740	1.5
105.07034	42.1
107.04885	1.6
107.08615	15.3
109.06546	7.3
109.10160	5.0
111.08095	2.4
115.14281	1.6
119.07806	2.3
119.08598	34.2
121.10151	29.0
123.08085	9.3
123.11711	42.2
125.09669	1.5
127.07550	5.7
129.07005	2.3
131.08577	3.5
133.10129	6.8
135.08034	2.5
135.11684	2.1
137.05989	24.9
137.13335	3.5
139.03867	2.4
141.09081	2.1
145.10106	4.2
147.11696	99.7
149.06029	2.0
149.09583	1.9
151.03922	4.7
151.07510	2.9
152.04321	2.2
153.01797	1.7
153.04369	3.5
157.10138	5.1
159.11714	2.9
165.12775	53.8
165.32619	2.0
175.11211	4.7
181.06587	1.9
183.13788	7.8
184.18860	1.7
193.12305	5.7
211.07671	2.6
229.04913	2.5
229.14317	11.7
243.10069	3.3
267.15939	68.2
271.09686	2.9
285.07755	3.5
285.16971	96.9
303.04947	27.0
303.07993	4.3
303.11765	5.2
303.19724	3.4
303.23294	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	303.1229
Annotation	3',4'-Dihydroxy-5,7-dimethoxyflavan
Peak:m/z	Relative Intensity
51.02409	0.3
53.03948	0.8
55.01879	0.9
55.05520	2.3
57.03436	1.0
57.07058	0.3
65.03951	0.5
67.05510	6.1
68.50941	0.3
68.99797	1.3
69.03429	0.8
69.07069	3.0
69.87804	1.5
71.04992	0.8
79.05499	4.2
81.03419	0.4
81.07063	13.4
83.04974	1.5
83.08622	1.6
85.02888	0.4
85.06547	0.7
91.05483	4.1
93.07051	2.9
94.04200	0.3
95.04971	5.1
95.08607	4.3
96.05792	0.5
97.06528	1.3
99.04512	0.4
99.08089	0.5
103.05474	1.6
105.03397	0.3
105.04568	0.3
105.07047	7.8
107.04950	1.0
107.08613	3.3
109.02879	0.6
109.06532	3.0
109.10163	1.1
111.04444	0.4
111.08089	1.1
115.05461	0.5
117.07017	0.6
118.04203	1.0
118.17333	0.3
119.04985	0.6
119.08583	5.4
121.06502	2.6
121.10159	3.9
122.03671	0.6
122.77602	0.3
123.04437	100.0
123.08038	1.1
123.11720	4.1
124.05275	2.0
125.05996	0.4
127.07561	0.7
127.11228	0.3
129.07019	0.4
131.04980	0.5
131.08592	1.0
133.06494	5.4
133.10141	1.3
135.04404	0.4
135.08087	1.1
135.11690	0.8
136.07706	0.3
137.02332	0.4
137.05997	8.0
137.09663	0.3
137.13280	0.5
139.03976	0.7
139.07547	8.7
143.08482	0.4
145.10132	0.8
147.04428	2.6
147.11700	11.1
149.05978	4.7
149.09622	0.5
149.13191	0.3
150.06734	1.2
151.03964	0.6
151.07535	2.1
153.01842	0.6
153.05577	1.6
153.06755	0.4
157.10179	1.0
159.11716	0.7
161.05997	2.9
161.13232	0.4
162.06783	5.2
163.03905	0.9
163.07544	0.7
163.11163	0.5
165.05574	0.5
165.06993	0.7
165.09149	2.2
165.12779	5.3
167.07053	58.6
168.05812	0.5
168.07446	0.4
175.11105	0.5
177.05527	0.3
178.06299	0.4
179.03397	0.3
179.07069	0.7
181.06569	0.3
181.08632	1.4
183.02908	0.6
183.08041	0.8
183.13812	0.8
187.11273	0.3
187.14821	0.4
193.08617	5.7
193.12311	0.4
199.14812	0.3
205.15871	0.3
211.07561	1.0
211.13037	0.3
215.10742	0.4
217.15973	0.4
227.07104	0.3
229.05017	0.5
229.14401	1.4
239.06819	0.4
243.10193	0.5
253.05029	0.4
267.15927	8.1
271.09674	1.1
285.07599	1.0
285.16965	8.1
285.21967	0.7
288.10080	0.4
303.04996	5.5
303.08432	1.5
303.11737	2.1
303.15808	0.4
303.19919	0.6
303.23203	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60368	0.8
53.03933	2.0
55.01859	2.3
55.05508	6.0
58.06301	0.8
65.03930	1.0
67.05501	6.0
68.99775	2.7
69.03414	1.2
69.07056	3.9
70.06573	1.0
71.04985	1.0
71.62684	0.8
74.36430	0.8
77.56421	0.8
79.05071	1.2
79.05495	13.2
81.03403	2.2
81.07056	8.2
82.06566	0.9
83.04961	3.2
83.08614	3.1
85.06530	1.8
91.05485	5.2
91.58109	0.9
93.07049	5.0
95.04976	9.5
95.08609	4.2
97.06526	1.2
100.07608	1.2
100.11263	10.7
103.05457	2.9
105.07039	16.9
107.04958	19.6
107.08587	3.6
109.06493	3.6
109.10124	3.0
110.06014	1.2
111.04428	2.0
115.05425	2.6
117.07025	1.1
117.13781	1.1
118.04169	1.7
119.08564	3.2
120.08088	1.2
121.06501	15.3
121.10146	2.9
122.03645	2.1
123.04436	100.0
123.11732	1.2
124.05195	3.4
125.06010	5.4
125.09627	1.4
127.03928	11.8
129.06924	0.9
131.04924	1.5
133.06514	18.1
133.10094	3.5
135.08003	1.7
136.59618	0.9
136.64919	0.9
137.02330	1.8
137.05983	47.2
137.09552	1.2
139.03886	1.1
141.11458	2.3
145.06511	1.2
145.10167	2.2
147.07959	1.2
147.11655	3.6
149.02383	2.5
149.04776	1.8
149.05988	21.8
149.09631	1.7
150.06754	1.0
151.03911	36.8
151.05130	2.1
151.07533	1.5
152.04709	1.2
153.01862	8.6
153.05495	11.2
155.03293	1.5
157.10147	1.6
159.11729	1.2
161.05998	14.6
161.09578	1.3
163.03954	1.6
163.07506	2.5
165.07059	1.4
165.12706	1.4
167.07050	44.8
169.06490	1.1
171.04407	1.2
171.11702	1.1
173.05952	1.2
177.05479	18.0
179.03403	33.0
181.08698	1.7
182.15382	2.6
187.07552	1.2
187.14778	0.9
193.08551	3.7
197.05966	3.3
199.14899	1.3
199.18042	1.7
201.05545	2.9
209.16409	1.4
210.14864	1.4
211.07536	3.3
213.05476	2.9
213.17911	1.4
214.06282	2.5
215.07016	5.0
225.05467	1.0
226.06270	1.3
227.17581	2.6
229.05038	1.3
229.08652	6.9
233.08098	1.2
242.05753	5.8
243.06470	2.8
243.10037	1.2
253.05009	1.3
257.08054	3.8
267.15955	2.0
270.05286	4.6
271.09631	1.0
275.09018	4.4
282.72958	0.9
285.07590	51.6
285.16800	1.2
285.24359	1.2
288.05289	1.5
303.05063	8.8
303.08585	66.3
303.12213	2.9
303.19882	1.7
303.23154	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0866
Annotation	Nidulalin B
Peak:m/z	Relative Intensity
53.03938	1.1
55.01868	1.0
60.22076	0.4
62.26137	0.4
62.29631	0.4
65.03941	0.8
67.05518	2.0
68.99778	2.9
69.03442	0.6
69.07063	0.5
69.87642	1.9
74.03650	0.4
79.05499	4.0
81.03409	1.8
81.07059	1.5
83.04971	1.4
85.02883	0.4
91.05466	3.1
93.03405	0.6
93.07043	0.9
94.04172	0.7
95.04962	4.3
95.08602	0.6
98.20792	0.5
103.05482	1.1
104.91097	0.4
105.03391	0.8
105.07050	3.9
107.04972	5.4
107.08575	1.0
109.02909	1.2
109.06532	4.3
110.03676	1.1
111.00835	1.1
111.04461	0.9
115.05449	0.7
117.07042	0.4
118.04149	1.7
119.04922	0.7
119.08596	0.7
121.02888	0.6
121.06512	19.3
121.10103	1.0
122.03580	0.5
123.00807	0.9
123.04436	51.8
123.08104	0.8
124.05200	0.5
125.05993	6.0
127.03923	17.3
133.06506	7.1
133.10130	0.4
135.04448	0.8
135.08061	0.8
137.05983	51.7
138.09175	0.8
139.03896	0.8
144.05788	0.6
145.06488	0.8
149.02379	5.0
149.05986	25.3
149.09694	0.5
150.06755	1.7
151.03911	58.9
153.01842	12.3
153.05467	12.8
155.03366	2.0
158.07181	0.5
159.08060	1.1
161.05986	3.5
161.09560	0.6
163.03918	1.5
163.07608	2.1
164.07050	0.5
166.08630	0.7
167.07056	12.0
168.05730	0.4
169.06490	0.8
172.05318	0.4
173.06036	1.3
176.19698	0.4
177.05481	26.3
179.03403	45.3
183.08078	0.9
184.05142	0.7
186.06799	1.2
187.07568	2.6
189.09039	0.8
191.07060	1.3
193.08582	0.5
196.05266	0.5
197.05930	2.6
198.06746	0.8
199.07558	0.7
200.04691	1.1
201.05493	5.9
211.07524	1.8
213.05476	2.8
214.06253	3.9
215.07051	6.8
217.08490	0.9
225.05521	2.2
226.06175	0.6
229.08618	9.5
233.07971	0.6
239.07079	1.0
241.05013	0.8
242.05756	6.8
243.06535	3.6
247.26483	0.4
253.04987	1.6
254.05721	1.6
257.08176	3.5
270.05215	7.4
275.09113	6.7
285.07587	80.8
286.07825	0.7
303.05280	5.6
303.08624	100.0
304.08884	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0865
Annotation	Penisimplicissin
Peak:m/z	Relative Intensity
51.02380	0.7
53.03937	2.6
55.01867	1.9
55.05510	2.8
56.05026	3.3
56.96555	1.1
57.03430	3.1
60.04524	2.1
61.02929	2.6
61.04045	2.3
65.03927	1.2
67.05504	2.4
68.99791	1.8
69.03439	4.9
69.07072	5.0
69.58430	4.2
70.06590	1.9
71.05006	1.4
72.08163	4.4
73.02909	1.0
73.06558	1.8
76.02234	0.9
77.03972	1.1
79.05502	3.3
80.05013	0.9
81.03423	23.4
81.07058	8.0
82.06601	0.8
84.04514	6.1
84.08150	2.0
85.02919	14.7
85.04033	33.7
86.09715	16.1
87.10046	1.3
88.03992	0.9
91.05496	3.4
93.03410	0.9
93.07035	1.6
94.04179	1.2
95.04987	3.1
95.08619	1.9
96.04506	1.0
96.05390	0.8
97.02903	5.2
97.06557	1.2
98.09679	3.5
98.63773	0.8
98.97586	4.3
99.04485	1.7
99.08078	1.4
100.07632	0.7
101.06026	2.4
103.03967	1.6
105.03419	2.4
105.07041	0.9
107.04298	1.4
107.04964	21.2
107.08589	1.0
109.02889	22.5
110.03644	1.2
111.04471	2.9
113.03532	0.9
116.98655	1.3
119.04913	0.8
121.02867	3.6
121.06561	1.0
122.03661	1.7
123.04437	24.3
123.05331	1.8
123.08119	2.5
126.03142	7.2
126.05530	1.5
127.03931	14.2
127.04955	1.4
130.05038	2.2
131.04979	1.0
131.08583	1.5
133.02873	11.9
135.04424	34.7
136.07613	1.4
137.02383	3.8
137.05983	24.4
138.03120	3.3
138.09143	1.8
139.03911	1.9
139.08670	2.4
140.07117	1.7
141.05473	31.2
141.07018	2.5
141.09122	2.4
141.10222	1.8
144.06587	2.1
145.04970	1.0
145.06505	1.7
146.99823	0.8
147.04456	3.2
149.02356	4.0
150.03127	6.3
151.03894	1.2
153.01926	1.4
153.05476	20.0
153.07388	0.9
155.04985	0.8
156.11337	2.6
157.06378	1.1
159.11345	2.5
163.03899	7.2
165.05486	71.5
165.10301	2.7
167.03430	2.4
167.07108	3.0
168.05779	1.3
169.04999	37.1
169.06482	4.2
172.04317	1.5
173.06104	2.1
177.05476	1.2
178.02559	4.8
183.11296	4.3
185.16592	0.9
186.06975	0.8
187.07338	4.7
191.03563	0.9
191.07182	0.9
193.04974	81.3
196.05223	0.9
197.05971	9.5
201.05537	1.6
205.08221	7.3
207.11153	0.9
213.05502	1.7
214.06279	0.9
214.16333	0.8
215.07019	10.3
215.08765	0.7
219.02892	2.4
224.04785	0.9
225.05435	7.1
229.05005	1.6
229.08638	1.4
234.99167	0.9
235.01643	0.8
242.05814	3.2
243.06519	4.7
253.04999	3.3
257.08203	2.2
259.13031	2.3
259.16669	1.1
261.09232	1.4
269.04501	3.9
270.05264	11.0
271.06079	1.4
275.05978	1.3
275.09155	25.3
285.07562	16.9
285.14548	7.3
303.04977	3.0
303.08405	5.9
303.10489	7.6
303.15598	100.0
305.09143	0.8
316.64658	0.7
323.10126	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0865
Annotation	Nidulalin B
Peak:m/z	Relative Intensity
50.58856	0.8
53.03936	0.8
54.31491	0.6
55.01876	0.9
65.03941	1.1
67.05502	1.4
68.99467	0.7
68.99782	3.3
70.63924	1.5
70.64265	0.9
79.05497	2.0
81.03426	1.8
81.07057	1.0
85.02921	0.9
91.05492	2.3
93.03389	1.4
93.07066	0.7
95.04977	3.4
98.20745	0.8
103.05470	0.8
105.03340	1.0
107.04976	1.1
108.04124	0.7
109.02835	0.9
109.06538	4.5
110.03636	0.7
111.00771	1.1
111.04439	0.9
117.13865	0.7
117.87061	0.6
118.04194	1.1
121.02908	1.0
121.05653	1.3
121.06510	17.6
123.00797	1.1
123.04436	32.1
125.06003	6.3
127.03920	16.9
127.04813	1.2
133.06525	2.9
137.05981	49.7
149.02390	3.5
149.05986	24.0
150.06754	2.0
151.03911	59.1
152.04269	0.7
153.01823	10.1
153.05460	14.1
155.03406	1.9
161.05963	1.3
163.03838	1.2
171.08113	0.7
174.06764	0.8
175.07574	0.7
177.05484	25.4
179.03407	45.4
187.07623	2.6
191.07077	1.4
197.05983	2.3
200.04672	1.3
201.05441	5.6
211.07565	2.0
213.05528	2.8
214.06265	3.0
215.07036	5.6
217.08583	1.1
225.05473	2.4
226.06364	0.8
229.08612	8.8
239.07187	0.7
242.05664	6.9
243.06551	2.5
253.04868	1.6
254.05757	0.7
257.08182	4.1
270.05194	7.0
275.09094	8.8
285.07581	79.1
288.05325	1.0
303.08640	100.0
304.09042	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0864
Annotation	3,7,2'-Trihydroxy-4'-methoxyisoflavanone
Peak:m/z	Relative Intensity
51.60368	0.8
53.03933	2.0
55.01859	2.3
55.05508	6.0
58.06301	0.8
65.03930	1.0
67.05501	6.0
68.99775	2.7
69.03414	1.2
69.07056	3.9
70.06573	1.0
71.04985	1.0
71.62684	0.8
74.36430	0.8
77.56421	0.8
79.05071	1.2
79.05495	13.2
81.03403	2.2
81.07056	8.2
82.06566	0.9
83.04961	3.2
83.08614	3.1
85.06530	1.8
91.05485	5.2
91.58109	0.9
93.07049	5.0
95.04976	9.5
95.08609	4.2
97.06526	1.2
100.07608	1.2
100.11263	10.7
103.05457	2.9
105.07039	16.9
107.04958	19.6
107.08587	3.6
109.06493	3.6
109.10124	3.0
110.06014	1.2
111.04428	2.0
115.05425	2.6
117.07025	1.1
117.13781	1.1
118.04169	1.7
119.08564	3.2
120.08088	1.2
121.06501	15.3
121.10146	2.9
122.03645	2.1
123.04436	100.0
123.11732	1.2
124.05195	3.4
125.06010	5.4
125.09627	1.4
127.03928	11.8
129.06924	0.9
131.04924	1.5
133.06514	18.1
133.10094	3.5
135.08003	1.7
136.59618	0.9
136.64919	0.9
137.02330	1.8
137.05983	47.2
137.09552	1.2
139.03886	1.1
141.11458	2.3
145.06511	1.2
145.10167	2.2
147.07959	1.2
147.11655	3.6
149.02383	2.5
149.04776	1.8
149.05988	21.8
149.09631	1.7
150.06754	1.0
151.03911	36.8
151.05130	2.1
151.07533	1.5
152.04709	1.2
153.01862	8.6
153.05495	11.2
155.03293	1.5
157.10147	1.6
159.11729	1.2
161.05998	14.6
161.09578	1.3
163.03954	1.6
163.07506	2.5
165.07059	1.4
165.12706	1.4
167.07050	44.8
169.06490	1.1
171.04407	1.2
171.11702	1.1
173.05952	1.2
177.05479	18.0
179.03403	33.0
181.08698	1.7
182.15382	2.6
187.07552	1.2
187.14778	0.9
193.08551	3.7
197.05966	3.3
199.14899	1.3
199.18042	1.7
201.05545	2.9
209.16409	1.4
210.14864	1.4
211.07536	3.3
213.05476	2.9
213.17911	1.4
214.06282	2.5
215.07016	5.0
225.05467	1.0
226.06270	1.3
227.17581	2.6
229.05038	1.3
229.08652	6.9
233.08098	1.2
242.05753	5.8
243.06470	2.8
243.10037	1.2
253.05009	1.3
257.08054	3.8
267.15955	2.0
270.05286	4.6
271.09631	1.0
275.09018	4.4
282.72958	0.9
285.07590	51.6
285.16800	1.2
285.24359	1.2
288.05289	1.5
303.05063	8.8
303.08585	66.3
303.12213	2.9
303.19882	1.7
303.23154	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03933	0.2
55.01865	0.4
55.05502	0.5
57.03434	0.2
59.53950	0.1
65.03938	0.9
67.01862	0.4
67.05510	0.6
68.10686	0.1
68.99480	0.2
68.99795	1.6
69.03424	0.5
69.07063	0.4
69.19517	1.3
71.04982	0.4
76.26757	0.1
78.14480	0.1
78.82497	0.1
79.05484	0.6
81.03419	0.8
81.07051	1.2
83.04970	0.3
85.06532	0.3
91.05504	0.8
93.03411	0.7
93.07047	1.0
95.04984	1.3
95.08601	0.9
97.02904	0.3
97.06541	0.2
103.05489	0.2
105.03395	0.3
105.07032	1.1
107.04931	0.5
107.08587	0.7
109.02899	1.1
109.06503	0.4
109.10170	0.8
111.00793	1.3
111.04442	0.3
111.08066	0.2
115.05470	0.2
117.06980	0.4
119.04955	0.3
119.08571	0.7
121.02869	2.1
121.06534	0.3
121.10127	0.5
122.03664	0.2
123.04444	0.8
123.08089	0.2
123.11719	0.4
125.09636	0.2
125.68954	0.1
127.03905	0.4
128.06224	0.2
129.06989	0.3
131.04929	0.5
131.08580	0.3
133.02876	0.3
133.06494	0.2
133.10135	0.8
135.04393	0.6
135.08028	0.3
135.11676	0.4
137.02347	7.3
137.03398	0.4
137.05954	1.4
137.09605	0.3
139.03912	2.1
139.05447	0.1
139.11177	0.2
141.07037	0.2
141.40901	0.2
143.08582	0.2
145.02867	0.2
145.06482	0.6
145.10133	0.5
147.11690	0.7
149.02336	0.9
149.05984	0.2
149.09627	0.3
149.13359	0.1
151.03928	0.4
151.07555	0.2
151.11237	0.2
153.01834	8.8
153.05460	1.5
155.04936	0.8
155.06067	0.2
157.06523	0.2
157.10133	0.4
159.04460	0.2
159.11678	0.3
161.05968	0.9
161.09625	0.3
161.13271	0.2
163.03917	1.5
163.11168	0.2
165.01831	3.7
165.05574	0.1
165.06950	0.3
165.12796	0.2
166.02623	0.5
167.07108	0.2
168.05750	0.1
171.11629	0.3
173.02362	0.2
173.05994	1.1
173.13306	0.2
175.11263	0.2
177.01927	0.3
177.05463	0.4
179.03394	0.7
183.02885	1.3
183.04437	0.9
183.08009	0.2
187.03862	0.7
191.03398	0.4
191.07033	0.2
195.02818	0.3
197.06036	0.3
199.07611	0.1
199.14912	0.2
201.03583	0.2
201.05482	3.7
205.04958	0.3
206.16273	0.2
211.03995	0.4
211.07515	0.2
213.05495	0.4
215.03305	0.2
219.03035	0.2
219.06583	0.6
225.05493	0.7
228.04253	0.3
229.04973	8.1
229.08626	0.4
229.14415	0.3
235.26823	0.2
239.03433	0.4
239.06970	0.1
245.08067	0.2
246.05322	0.2
247.06064	1.1
249.18489	0.2
253.04999	0.4
256.03546	0.1
256.27930	0.1
257.01764	0.3
257.04449	4.7
257.08014	0.4
258.05267	0.2
260.05890	0.2
267.02985	0.1
271.09607	0.4
273.07544	0.2
274.04742	1.2
275.05374	0.4
285.03955	2.3
285.07639	0.5
285.22220	0.1
288.05200	0.5
290.12976	0.1
302.04132	0.2
303.04987	100.0
303.22995	1.2
304.05334	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12481	0.1
51.02392	0.1
55.01869	0.4
55.87867	0.1
60.09952	0.1
60.81793	0.1
65.03931	0.4
67.01878	0.2
67.05496	0.2
68.99446	0.1
68.99793	1.8
69.03418	0.2
69.39874	0.7
79.05479	0.2
80.72715	0.1
81.03419	0.6
81.07039	0.3
82.23188	0.1
90.58100	0.1
91.05483	0.1
93.03420	0.8
95.04958	0.7
101.03584	0.1
103.05473	0.2
105.03393	0.2
105.07011	0.2
107.04953	0.3
109.02882	0.9
111.00805	1.9
111.04444	0.1
112.69497	0.1
117.07008	0.3
119.04949	0.1
121.02891	1.9
123.04468	0.6
127.03920	0.3
129.06946	0.2
131.04938	0.3
133.02847	0.2
133.06451	0.2
135.04398	0.4
137.02353	6.7
137.03410	0.4
137.05978	0.3
143.04898	0.2
144.16530	0.1
145.02904	0.1
145.06456	0.7
149.02354	0.8
149.05959	0.1
153.01834	9.0
155.04903	0.9
155.05986	0.1
157.06522	0.2
159.04395	0.3
161.05981	0.8
163.03918	1.1
165.01842	4.0
166.02647	0.7
167.03429	0.1
173.05998	1.3
177.01915	0.2
177.05513	0.3
179.03374	0.3
183.02890	1.4
183.04437	0.8
187.03920	1.0
191.03436	0.3
191.07062	0.2
195.01334	0.1
195.02856	0.5
201.05479	4.4
205.03047	0.1
205.04927	0.4
207.02969	0.2
211.03886	0.3
213.05434	0.3
215.03438	0.2
217.05101	0.1
219.03001	0.2
219.06526	0.6
221.04640	0.1
228.04254	0.6
229.04973	8.4
232.03648	0.2
233.04607	0.1
239.03362	0.4
245.04485	0.1
247.06046	1.1
257.04486	4.5
259.14325	0.2
274.04770	1.3
275.05405	0.4
285.03967	2.2
303.05002	100.0
304.05399	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.07940	0.1
53.38266	0.1
55.01855	0.3
65.03929	0.4
67.01858	0.3
67.05498	0.3
68.99795	1.5
69.03415	0.1
70.83679	0.1
70.84001	0.2
71.01362	0.1
71.64300	0.1
81.03424	0.6
81.07043	0.2
91.05461	0.2
93.03420	0.6
93.06966	0.1
95.04981	0.7
98.01539	0.1
99.46670	0.1
105.03384	0.2
105.07034	0.2
107.04996	0.1
109.02884	1.1
111.00812	1.7
117.06986	0.3
121.02872	1.9
123.04482	0.6
127.03912	0.4
128.06204	0.1
129.06989	0.1
131.04903	0.3
133.02866	0.2
133.06508	0.1
135.04419	0.4
137.02350	6.4
137.03358	0.3
137.05971	0.3
143.04945	0.1
145.02872	0.2
145.06499	0.7
149.02351	0.9
151.03947	0.2
152.01016	0.1
153.01839	9.0
155.04926	0.8
155.06046	0.2
157.06429	0.2
159.04395	0.2
161.06010	0.6
163.03902	1.1
165.01848	3.7
166.02679	0.6
173.06001	1.2
177.01830	0.2
177.05528	0.3
179.03441	0.5
183.02879	1.4
183.04431	0.8
185.06154	0.1
187.03905	0.8
189.05536	0.1
191.03410	0.2
194.02173	0.1
195.02956	0.5
201.05476	3.8
205.04968	0.3
207.02992	0.2
211.03947	0.3
213.05566	0.2
215.03435	0.2
217.05052	0.1
219.03050	0.2
219.06552	0.6
225.26669	0.1
228.04166	0.4
229.04971	8.1
239.03433	0.4
245.04532	0.2
246.05290	0.1
247.06010	1.3
257.04468	5.0
274.04727	1.1
275.05435	0.3
285.03967	2.2
286.04523	0.2
303.05002	100.0
304.05399	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
55.05513	0.3
57.03443	0.2
60.72467	0.2
65.03920	0.4
67.01861	0.3
67.05496	0.8
68.49060	0.2
68.99794	1.8
69.03421	0.4
69.07052	0.2
70.06567	0.1
70.42368	0.4
71.01318	0.2
71.04977	0.2
79.05489	0.6
81.03408	0.8
81.07059	1.6
84.04497	0.3
85.02921	1.2
85.03347	0.3
86.03241	0.4
86.99064	0.2
87.02699	0.5
91.05463	0.5
91.63495	0.2
93.03391	0.7
93.07044	0.5
95.04962	1.0
95.08580	0.5
97.02880	0.3
99.08071	0.3
101.03514	0.3
105.07049	0.5
107.04956	0.5
107.08594	0.4
109.02896	0.9
109.06503	0.3
111.00819	2.0
117.06986	0.4
119.04926	0.4
119.08581	0.3
121.02883	1.6
121.10117	0.4
122.03599	0.3
123.04428	0.9
127.03904	0.5
129.07117	0.2
131.04935	0.4
133.10097	0.3
135.04408	0.3
135.07988	0.2
135.11644	0.3
137.02347	7.4
137.03355	0.4
137.05974	3.6
137.09573	0.2
145.04965	0.4
145.06503	0.6
145.10139	0.3
146.06000	0.5
147.04420	1.1
149.02345	0.9
149.05887	0.2
151.03946	0.2
153.01833	9.4
155.04913	0.8
157.06506	0.2
157.10138	0.2
161.05980	0.6
162.05421	0.2
163.03960	1.2
165.01848	3.7
166.02637	0.5
173.06021	1.2
177.05385	0.2
179.03419	0.4
183.02895	1.5
183.04431	0.6
187.03918	0.7
188.07025	0.3
191.06979	0.2
195.02951	0.4
201.05487	3.8
203.07474	0.2
205.02797	1.3
205.04742	0.3
213.05524	0.4
214.49344	0.2
219.02872	0.5
219.06558	0.5
224.09023	0.2
227.13957	0.4
228.04158	0.6
229.04948	8.5
239.03442	0.4
247.06062	1.4
257.04471	5.0
259.14331	0.2
267.19455	0.2
274.04645	1.3
275.05423	0.3
285.03973	2.1
285.12277	0.2
303.04993	100.0
303.23108	0.6
304.05276	0.7
323.74182	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02668	0.3
54.36379	0.3
56.96562	1.3
62.53791	0.3
67.37247	0.3
69.40847	0.4
69.41253	1.7
98.97594	15.3
99.97935	0.9
101.00895	2.6
102.96879	0.5
116.98631	6.4
117.98974	0.4
118.98210	0.4
119.01935	3.7
120.97922	0.3
134.99692	1.7
137.02969	0.4
140.98862	0.8
158.99858	2.0
172.54639	0.3
175.03030	0.4
177.00969	8.4
178.01083	0.5
180.32373	0.3
182.99908	1.0
183.33952	0.4
201.00949	3.0
217.04150	2.2
219.02034	16.3
220.02173	0.6
221.01997	0.5
222.01711	0.3
225.00861	2.3
243.02008	12.0
244.02164	0.7
258.99945	0.4
260.99976	3.8
261.03085	100.0
261.97369	0.5
262.00070	1.0
262.03220	5.1
263.03424	0.5
278.97296	0.7
279.00601	4.8
279.98053	2.2
280.01108	1.7
284.01767	0.4
284.04587	1.9
284.99884	1.9
297.98297	0.9
302.97415	0.5
303.00815	1.8
303.04361	3.2
320.98199	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
53.92477	0.8
54.54335	0.7
55.01876	2.1
55.05511	1.1
57.03442	4.8
61.02934	9.2
69.03436	16.1
69.75558	2.9
69.75962	1.6
71.04991	2.3
73.02918	3.5
75.55519	0.8
79.83614	0.8
81.03426	6.6
81.07061	1.3
85.02913	100.0
86.09713	12.5
87.04492	2.2
91.03960	5.4
91.05488	1.3
95.04994	0.8
97.02901	21.4
98.06033	0.9
99.04464	4.1
105.07046	8.4
109.02892	10.1
110.69259	0.8
115.03916	1.0
127.03930	23.1
132.10222	1.4
137.02368	1.7
137.05954	1.0
140.07152	1.1
140.10831	1.2
143.08694	1.1
143.11821	6.6
145.04973	50.1
153.01848	2.7
156.06670	0.9
163.06036	17.2
171.11295	3.4
180.08690	2.5
194.05191	0.8
202.07092	1.9
229.04996	2.3
231.10208	1.7
232.53554	0.7
249.11145	1.1
257.04337	0.9
285.13406	1.3
287.05035	1.7
302.07486	6.0
302.11044	2.0
302.16150	1.7
303.05054	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	302.1501
Annotation	H-Pro-Trp-OH
Peak:m/z	Relative Intensity
55.01878	1.4
68.05038	0.9
69.07079	1.0
70.06599	35.0
71.52188	1.0
72.08163	0.9
81.07054	0.9
83.94324	0.6
86.09721	1.4
88.04019	0.8
93.07037	0.8
93.20871	0.6
103.34879	0.7
114.05542	20.4
115.05456	2.0
116.07100	21.7
116.36874	0.6
117.05748	2.5
117.06982	1.0
118.06540	1.1
121.33604	0.6
121.60439	0.7
125.07139	4.3
130.06534	19.1
132.08099	44.6
137.05956	1.3
140.07071	1.4
142.06522	6.1
144.08087	15.5
147.04460	1.2
152.07043	1.2
153.01952	1.0
159.09190	100.0
160.07605	4.0
170.06035	24.8
171.07686	4.5
172.07559	4.9
185.03682	0.7
188.07114	1.5
193.05003	1.1
239.07178	1.0
239.11919	1.1
257.12842	4.3
258.17090	1.3
259.05643	1.0
281.08707	1.3
284.10983	1.1
285.12350	63.5
302.03961	1.0
302.07800	2.6
302.11694	2.0
302.15021	10.8
302.18674	1.0
303.04965	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	302.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17991	1.2
55.01855	2.0
55.44594	1.0
57.03425	4.9
60.04765	1.1
61.02924	4.7
63.09864	1.2
65.03932	1.8
67.05183	1.4
67.05514	20.4
69.03439	21.0
69.03992	1.2
69.07076	79.4
70.02956	2.2
70.31738	3.9
71.04987	1.9
72.08134	1.3
81.03419	8.4
81.07037	1.8
84.04466	1.2
84.08142	2.2
85.02915	66.4
86.02415	1.8
86.09702	2.4
87.04472	1.4
94.06569	2.4
95.04982	33.9
97.02298	1.9
97.02905	37.1
97.06543	1.4
98.33905	1.1
99.04492	1.8
103.03936	4.8
109.02883	12.6
112.07619	29.4
112.55267	1.1
113.05991	2.8
122.06046	4.2
124.07583	2.0
127.03933	14.2
129.10242	1.7
137.06001	2.8
140.07077	100.0
145.04962	8.0
147.04521	1.1
152.07086	2.0
154.08620	4.4
157.01421	1.2
182.08147	51.6
182.09755	2.6
186.07541	1.8
188.98405	1.6
206.08147	11.7
218.08113	1.5
225.33269	1.2
236.09030	1.3
248.09152	8.4
261.23737	1.2
284.11255	2.5
289.91455	1.2
302.12204	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	301.2164
Annotation	9-cis-Retinoic acid
Peak:m/z	Relative Intensity
55.01865	2.9
55.05509	10.2
57.07077	11.6
64.73950	2.1
65.03954	2.4
67.05512	22.1
69.03427	6.4
69.07069	11.1
70.06567	5.7
71.04993	5.8
79.05494	16.2
81.07059	26.4
83.04985	3.5
83.08630	2.8
85.06555	3.7
88.07632	7.4
91.05486	25.1
93.07051	28.0
95.04984	12.0
95.08624	24.0
95.87129	2.1
97.06531	7.4
97.10180	2.7
98.21585	4.6
105.07037	46.5
106.08644	2.3
107.08602	43.0
109.06530	37.1
109.10172	29.5
111.08096	4.9
116.06247	2.5
117.07029	14.1
119.04955	3.0
119.08593	56.2
121.06512	5.6
121.10160	28.7
123.08107	6.5
123.11691	4.0
128.06270	3.5
129.06978	7.8
129.41231	2.2
130.07794	5.3
131.08572	40.8
133.10132	37.7
135.08081	27.4
135.11690	8.0
137.09592	4.1
138.94035	2.6
141.06892	2.3
142.07768	5.3
143.08614	17.0
144.09323	7.3
145.10127	46.2
146.07271	5.8
147.08119	2.9
147.11688	14.3
149.09538	4.4
149.13254	10.2
156.09357	3.2
156.41890	2.3
157.10101	13.2
158.10938	16.2
159.08064	3.0
159.11688	13.7
161.09637	65.7
161.13252	3.2
163.11125	4.3
169.10141	4.0
171.11737	7.2
173.13281	100.0
175.14807	9.5
179.08569	2.8
183.11687	5.8
185.13255	6.8
187.14841	5.0
189.12801	2.8
191.14322	22.8
194.10910	3.2
195.11653	3.1
197.13272	2.8
199.14847	7.4
201.12839	3.2
201.16394	3.2
202.55183	2.4
203.14377	3.3
208.12456	3.3
209.13248	11.9
213.16299	3.5
223.14790	6.5
225.16402	3.9
227.14330	4.3
258.05331	14.1
265.19443	8.5
276.71201	2.3
283.20499	9.8
284.29523	3.8
285.03897	3.0
286.04721	18.9
301.07135	46.4
301.21640	18.0
302.30508	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	301.2162
Annotation	11-cis-Retinoic acid
Peak:m/z	Relative Intensity
50.32586	3.0
55.01874	4.3
55.05508	9.9
57.07070	6.1
57.17580	2.8
67.05506	17.4
69.03442	4.7
69.07062	10.9
69.48769	4.7
69.49175	17.4
70.06582	4.5
71.04990	8.0
79.05492	12.0
81.07061	23.1
83.04952	3.6
83.08623	5.3
88.07619	3.9
91.05483	24.2
93.07055	30.3
93.99908	2.8
95.05003	12.7
95.08607	20.5
97.06513	5.9
97.58527	2.4
98.21539	2.5
105.07039	38.0
106.08661	3.0
107.08602	38.8
109.06532	39.0
109.10155	33.3
115.05503	4.7
116.06202	2.3
117.07011	15.0
119.08588	50.8
121.06514	9.5
121.10158	25.6
123.08101	5.5
123.11679	5.2
128.06242	3.2
129.07013	8.7
130.07779	4.6
131.08583	49.0
133.06459	5.0
133.10118	39.0
135.08064	31.5
135.11703	8.8
137.06013	14.4
142.07788	4.5
143.08528	19.4
144.09341	5.6
145.10133	50.4
146.07219	5.9
147.08102	3.4
147.11678	16.7
149.09613	4.0
149.13260	7.2
156.09390	5.2
157.10149	11.4
158.10954	14.0
159.08055	5.9
159.11652	13.0
161.05988	12.4
161.09631	66.9
161.13249	3.1
163.11224	5.8
171.11743	10.0
173.13264	100.0
173.14685	5.5
175.14859	6.8
181.10239	3.7
183.11736	3.4
185.13284	6.5
187.14778	6.6
191.14301	28.4
194.10817	4.1
195.11696	4.3
197.13307	3.8
199.14825	6.8
201.16553	3.9
209.13266	9.5
213.12720	4.1
213.16451	4.1
223.14810	6.4
227.14426	4.0
235.69437	2.9
255.21075	3.3
258.05243	9.2
265.19574	9.2
283.20599	9.2
286.04700	13.6
301.07129	36.7
301.10486	3.3
301.21741	13.1
302.30576	48.3
303.23007	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	301.2164
Annotation	9-cis-Retinoic acid
Peak:m/z	Relative Intensity
51.28509	2.1
53.03949	2.8
53.17569	2.1
54.39770	2.2
55.05508	10.3
57.03432	3.3
57.07072	10.3
62.32232	2.1
65.03934	2.5
65.60018	2.0
67.05511	23.1
67.30372	2.3
69.03432	5.3
69.07089	12.2
69.82922	12.8
70.06595	5.6
71.04988	6.7
79.05482	13.3
81.07059	22.1
83.04999	3.0
83.08628	5.4
85.06558	4.3
88.07638	5.7
91.05492	21.7
91.77312	2.1
93.07050	30.2
95.04992	14.2
95.08609	23.0
97.06536	8.3
97.10139	3.6
98.21422	3.2
103.05489	3.6
105.07037	39.2
106.08662	3.5
107.08601	35.9
109.06527	38.4
109.10175	26.3
111.08041	3.9
111.11685	2.2
115.05410	2.9
117.07038	12.6
119.07793	4.7
119.08591	55.0
121.06509	10.6
121.10143	25.0
123.08095	3.0
123.11723	3.3
125.09695	4.6
128.06213	2.9
129.05510	3.5
129.07016	8.1
130.07808	4.9
131.08583	46.9
133.06450	2.5
133.10141	32.6
135.08049	23.6
135.11719	8.5
139.11255	2.5
141.07117	2.7
142.07806	4.2
143.08577	16.9
144.09375	4.1
145.10133	46.7
146.07271	6.0
147.08046	2.9
147.11665	14.9
149.13271	6.6
155.08571	2.7
156.09335	5.5
157.10135	12.1
158.10924	13.8
159.08096	5.0
159.11653	11.4
161.09639	62.0
161.13304	3.8
163.11159	3.9
171.11707	9.1
173.13275	100.0
175.11203	4.1
175.14880	12.1
179.08522	3.5
183.11719	8.0
185.09587	2.8
185.13251	9.1
187.11203	2.3
187.14856	4.5
189.12668	3.9
191.14305	26.5
195.11757	5.4
197.13382	2.8
199.14824	9.2
201.12695	3.6
201.16408	2.8
203.14407	2.9
209.13393	12.2
209.70050	2.1
213.12781	2.9
213.16338	3.1
218.31641	2.2
222.68117	2.2
223.14905	6.5
225.16399	3.2
227.14368	9.9
258.05280	14.6
265.19586	10.2
283.20602	9.4
284.29526	3.8
286.04764	27.2
301.07059	63.9
301.16635	3.3
301.21545	16.2
302.30548	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	301.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01857	0.4
55.05517	1.7
57.03439	2.4
57.07073	0.3
65.03931	0.6
67.05499	3.9
68.05018	0.5
69.03428	0.9
69.07059	1.4
70.06578	1.4
70.66234	0.7
70.66563	0.4
71.04995	1.7
73.02910	0.5
79.05507	2.8
81.03432	0.5
81.07064	5.4
83.04971	0.5
83.08620	1.6
83.60424	0.3
85.02914	0.4
85.06537	0.7
91.05465	2.5
92.02608	0.8
93.03413	0.7
93.07050	7.3
95.04961	1.1
95.08619	6.6
95.09212	0.2
95.12604	0.3
97.01646	0.3
97.02875	0.5
97.06534	2.0
97.10184	0.7
97.54347	0.3
99.04447	0.4
99.08069	0.6
101.06028	0.5
105.07017	2.5
107.04945	1.4
107.08593	4.1
109.06524	1.0
109.10168	3.4
110.09666	0.4
111.04456	0.6
111.08099	2.0
113.09647	3.0
116.07106	0.4
117.07031	0.5
119.08568	2.3
121.02839	0.5
121.06508	2.1
121.10142	3.8
122.09664	0.7
123.00786	0.4
123.04420	0.4
123.08062	0.6
123.11691	0.9
124.01531	0.7
125.06003	0.8
125.09627	0.7
126.03053	0.4
128.06236	0.7
129.06998	1.1
129.09125	0.8
130.06525	1.0
131.08553	0.8
132.04477	0.7
132.08131	0.5
133.10107	1.6
134.03615	1.4
135.11667	1.4
137.02319	0.5
137.05992	0.9
137.13287	0.5
139.07564	5.1
142.07700	0.3
143.07074	0.6
145.10172	2.4
147.04440	0.5
147.11678	2.2
148.03934	0.6
149.05997	0.6
149.09601	0.6
149.13251	3.3
149.24777	0.3
151.11214	0.5
152.01047	5.5
152.06213	0.3
153.01823	7.2
153.05409	0.4
153.06973	1.0
157.06476	0.5
157.08623	2.2
158.06033	1.3
159.11703	0.4
161.13268	0.8
163.11154	2.3
165.06966	0.4
165.09085	0.3
167.04942	0.4
167.07103	0.7
170.02113	0.9
173.09654	1.1
173.13272	0.5
175.03940	0.9
175.08678	0.5
175.67165	0.4
177.16428	1.8
181.06459	1.0
184.05205	1.1
185.05986	1.8
187.14827	0.9
191.10678	1.0
195.17458	0.8
198.06711	0.5
201.05493	0.5
202.06259	1.5
203.03445	0.4
203.17924	1.6
205.15886	1.2
209.11766	0.6
212.04707	1.1
213.05449	1.7
213.09055	0.4
217.04950	1.7
221.18994	0.9
223.16933	2.3
227.07042	0.6
227.12862	1.7
228.04204	0.6
229.04999	2.5
230.05727	1.8
233.13139	0.4
239.20213	0.4
240.04146	0.4
241.04976	4.8
241.08662	1.1
245.04442	1.5
245.08281	1.6
246.05281	0.6
247.16891	1.6
255.06380	0.6
255.15123	0.4
257.04477	0.5
258.05252	16.2
259.05768	0.5
265.17926	1.9
268.54276	0.5
269.04483	3.8
273.04022	1.7
274.04700	0.9
283.15564	0.6
285.03967	4.1
286.04724	33.1
287.05057	0.7
301.07080	100.0
301.10397	4.3
301.15845	3.9
301.21722	1.0
302.04196	7.3
302.07446	2.8
317.06586	0.6
318.07056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01857	0.4
55.05517	1.7
57.03439	2.4
57.07073	0.3
65.03931	0.6
67.05499	3.9
68.05018	0.5
69.03428	0.9
69.07059	1.4
70.06578	1.4
70.66234	0.7
70.66563	0.4
71.04995	1.7
73.02910	0.5
79.05507	2.8
81.03432	0.5
81.07064	5.4
83.04971	0.5
83.08620	1.6
83.60424	0.3
85.02914	0.4
85.06537	0.7
91.05465	2.5
92.02608	0.8
93.03413	0.7
93.07050	7.3
95.04961	1.1
95.08619	6.6
95.09212	0.2
95.12604	0.3
97.01646	0.3
97.02875	0.5
97.06534	2.0
97.10184	0.7
97.54347	0.3
99.04447	0.4
99.08069	0.6
101.06028	0.5
105.07017	2.5
107.04945	1.4
107.08593	4.1
109.06524	1.0
109.10168	3.4
110.09666	0.4
111.04456	0.6
111.08099	2.0
113.09647	3.0
116.07106	0.4
117.07031	0.5
119.08568	2.3
121.02839	0.5
121.06508	2.1
121.10142	3.8
122.09664	0.7
123.00786	0.4
123.04420	0.4
123.08062	0.6
123.11691	0.9
124.01531	0.7
125.06003	0.8
125.09627	0.7
126.03053	0.4
128.06236	0.7
129.06998	1.1
129.09125	0.8
130.06525	1.0
131.08553	0.8
132.04477	0.7
132.08131	0.5
133.10107	1.6
134.03615	1.4
135.11667	1.4
137.02319	0.5
137.05992	0.9
137.13287	0.5
139.07564	5.1
142.07700	0.3
143.07074	0.6
145.10172	2.4
147.04440	0.5
147.11678	2.2
148.03934	0.6
149.05997	0.6
149.09601	0.6
149.13251	3.3
149.24777	0.3
151.11214	0.5
152.01047	5.5
152.06213	0.3
153.01823	7.2
153.05409	0.4
153.06973	1.0
157.06476	0.5
157.08623	2.2
158.06033	1.3
159.11703	0.4
161.13268	0.8
163.11154	2.3
165.06966	0.4
165.09085	0.3
167.04942	0.4
167.07103	0.7
170.02113	0.9
173.09654	1.1
173.13272	0.5
175.03940	0.9
175.08678	0.5
175.67165	0.4
177.16428	1.8
181.06459	1.0
184.05205	1.1
185.05986	1.8
187.14827	0.9
191.10678	1.0
195.17458	0.8
198.06711	0.5
201.05493	0.5
202.06259	1.5
203.03445	0.4
203.17924	1.6
205.15886	1.2
209.11766	0.6
212.04707	1.1
213.05449	1.7
213.09055	0.4
217.04950	1.7
221.18994	0.9
223.16933	2.3
227.07042	0.6
227.12862	1.7
228.04204	0.6
229.04999	2.5
230.05727	1.8
233.13139	0.4
239.20213	0.4
240.04146	0.4
241.04976	4.8
241.08662	1.1
245.04442	1.5
245.08281	1.6
246.05281	0.6
247.16891	1.6
255.06380	0.6
255.15123	0.4
257.04477	0.5
258.05252	16.2
259.05768	0.5
265.17926	1.9
268.54276	0.5
269.04483	3.8
273.04022	1.7
274.04700	0.9
283.15564	0.6
285.03967	4.1
286.04724	33.1
287.05057	0.7
301.07080	100.0
301.10397	4.3
301.15845	3.9
301.21722	1.0
302.04196	7.3
302.07446	2.8
317.06586	0.6
318.07056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.01870	0.7
55.05513	3.9
57.03442	4.9
57.07059	0.7
59.05005	0.5
61.02919	0.5
65.03943	1.0
65.38665	0.4
67.05509	15.4
69.03416	0.7
69.07072	3.8
69.82941	0.9
69.83350	1.4
71.04998	11.2
79.05494	8.3
81.03422	0.7
81.07063	20.2
83.04986	2.0
83.08624	3.5
85.02902	0.6
85.06563	2.1
86.09708	1.8
87.04445	0.8
91.05484	9.3
91.06019	0.8
93.07049	14.0
93.07639	0.9
94.04154	0.5
95.04984	2.0
95.08620	5.5
97.02883	0.4
97.06535	3.5
97.10146	0.6
98.21552	0.4
99.08113	1.2
105.07034	5.8
106.07395	0.4
107.04959	1.0
107.08597	5.3
109.06526	1.0
109.10178	2.5
111.08086	2.2
113.81477	0.4
117.07021	2.7
119.04961	0.4
119.08594	1.7
121.06502	0.9
121.10158	2.3
123.11713	2.8
124.05233	0.7
125.09653	0.9
128.10757	0.6
129.05499	0.8
131.08560	3.3
133.10135	7.1
134.03651	1.2
135.04378	0.5
135.08022	0.5
135.11699	3.1
137.02365	2.0
137.05963	1.3
137.09604	0.4
139.07623	0.5
142.07715	0.4
143.08609	0.5
145.10115	0.8
146.11786	1.3
147.11690	0.6
149.05942	0.4
149.09604	0.5
149.13248	4.2
151.03896	0.6
151.11168	2.9
153.01819	2.9
153.06973	0.5
159.11707	10.7
161.13255	0.7
163.03947	1.2
163.07622	0.6
165.06924	0.5
167.07037	1.9
169.12260	0.8
177.12749	8.2
179.14326	1.5
181.06520	0.6
183.13875	2.1
185.06023	0.9
187.13321	2.2
191.07065	1.8
195.13820	2.2
198.06706	0.5
201.14905	1.4
202.06364	0.4
213.05530	1.1
213.14809	0.7
229.05006	3.7
230.05685	0.5
241.04956	3.5
251.16371	0.7
255.21536	0.5
257.04468	0.9
257.17474	2.6
257.21060	0.9
258.05255	30.0
259.05606	0.9
269.04459	2.6
269.07413	0.5
269.17487	16.3
283.10733	1.8
285.03857	0.7
286.04730	42.9
287.05112	1.1
301.07104	100.0
301.10669	7.7
301.20032	9.3
302.07468	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	301.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.5
55.01882	14.4
55.05518	12.9
55.85717	1.8
57.03440	26.0
57.07072	2.0
63.56532	1.7
66.40725	2.0
67.05511	47.2
69.03428	4.5
69.07081	10.5
69.87113	5.1
69.87527	5.5
70.06598	10.8
71.04993	6.7
71.06911	3.2
72.08160	2.6
73.02924	2.0
79.05500	54.2
81.03418	12.3
81.07062	44.3
83.04995	25.6
83.08604	4.6
84.04506	5.8
85.02914	5.1
85.06547	5.8
86.09666	2.0
90.05568	3.3
91.05483	36.5
91.06017	3.2
93.07049	54.7
95.01357	4.6
95.04980	19.3
95.08614	24.4
97.02883	2.2
97.06535	17.3
99.04459	7.5
99.08115	3.1
101.02377	2.0
103.05463	3.9
105.07032	19.1
107.04960	38.9
107.08599	24.0
109.06512	6.4
109.10137	7.3
111.04443	28.3
111.08097	6.8
115.05429	3.9
117.07027	19.2
119.04965	4.1
119.08585	20.1
120.08172	2.2
121.06525	11.2
121.10151	52.4
123.04403	3.5
123.08062	5.3
125.05972	4.4
125.09642	3.0
126.05515	2.5
129.05505	2.8
129.07018	7.5
130.05023	4.1
130.07765	2.9
131.04926	9.0
131.08533	15.7
133.06502	2.0
133.10143	5.6
135.08035	5.5
135.11696	36.5
137.02367	2.5
137.05975	13.5
139.03914	2.1
139.07611	3.0
143.08598	2.2
145.06520	6.1
145.10132	43.7
147.04428	3.1
147.08041	5.7
147.11688	4.4
149.05984	3.1
149.09622	9.9
149.10747	5.0
151.07596	3.2
153.01888	3.3
153.05505	9.3
153.06995	3.9
153.12753	15.3
155.08540	10.8
161.06020	2.9
161.13344	2.5
163.07518	3.1
163.11200	68.4
165.07043	2.6
173.09631	28.1
177.05486	5.7
177.09149	5.1
181.06487	3.4
181.12254	30.9
187.14955	2.3
189.05556	7.2
191.10669	40.1
209.11726	20.6
215.14215	2.1
227.12784	22.4
229.05031	3.2
241.04970	3.4
241.08636	3.1
245.13770	2.7
255.12399	2.8
258.05280	22.1
265.14487	5.4
269.04599	3.2
269.08124	2.2
273.14920	3.0
283.15384	12.7
285.04065	5.1
286.04730	37.7
301.07129	100.0
301.10980	11.7
301.16632	85.5
301.21832	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	301.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01725	0.1
52.03106	0.1
53.03932	0.2
55.01876	0.9
55.05515	0.9
57.03438	1.5
65.03962	0.1
67.05505	1.3
67.53002	0.1
68.99791	0.1
69.03410	0.3
69.07066	0.5
69.50184	0.4
69.50586	0.1
70.06591	0.1
71.05011	0.5
73.02892	0.3
73.06568	0.1
77.03923	0.1
78.04720	0.1
79.05499	1.1
81.03403	0.2
81.06646	0.1
81.07063	1.3
82.04166	0.2
83.04991	0.5
83.08604	0.4
85.02888	0.2
86.09707	0.2
91.05479	0.9
93.07045	1.0
95.04981	0.6
95.08604	0.7
97.02885	0.1
97.06548	0.4
97.07055	0.1
97.10150	0.6
98.07290	0.3
102.18739	0.1
103.05473	0.1
105.07033	0.4
106.04178	0.1
107.04951	0.5
107.08596	0.6
109.02863	0.1
109.06511	0.2
109.10146	0.3
111.04436	0.2
111.08054	0.2
116.04732	1.0
117.07014	0.2
119.04914	0.2
119.08599	0.4
121.06535	0.5
121.10141	0.4
123.04428	0.2
123.08051	0.2
123.11692	0.2
123.79318	0.1
124.01627	0.1
125.09637	0.7
127.03867	0.1
129.05481	2.3
129.06975	0.2
130.06549	0.1
131.08530	0.3
133.06467	0.1
133.10129	0.4
134.03624	0.2
135.04424	0.9
135.08055	0.2
135.11693	0.3
137.02376	0.2
137.05981	0.1
137.09630	0.1
139.03914	0.9
143.07080	0.5
145.10075	0.3
147.04379	0.3
147.07951	0.1
147.11659	0.3
149.05962	0.2
149.09637	0.1
149.13300	0.1
151.03871	0.3
151.07523	0.1
152.01038	0.1
152.06209	0.1
153.01834	2.3
153.05609	0.1
153.06982	0.3
153.09006	0.1
157.08635	1.2
157.10016	0.2
159.11557	0.1
160.01598	0.2
161.05920	0.2
161.13306	0.1
163.11208	0.2
165.01840	0.4
165.06998	0.3
165.12842	0.1
167.07047	0.3
167.08409	0.1
168.05655	0.2
171.10190	0.2
173.09656	0.1
175.11176	0.2
177.05426	0.1
177.12701	0.1
181.06427	0.4
183.02904	0.2
184.05293	0.1
184.13213	0.1
185.05966	0.1
185.09737	0.1
185.11729	0.1
185.13594	0.2
189.11247	0.9
193.12166	0.1
194.12474	0.1
197.05977	0.2
198.06784	0.2
199.13306	0.2
200.14034	0.2
201.05515	0.3
202.06174	0.1
202.08980	0.1
203.09277	0.2
208.05049	0.1
210.06369	0.1
212.04681	0.2
213.05496	0.3
213.08997	0.2
226.06261	0.2
227.07091	0.1
227.12799	0.7
229.04985	2.0
230.05762	1.8
241.04968	0.6
241.08690	0.3
242.05586	0.1
243.06432	0.1
245.08163	0.3
251.07109	0.1
251.14714	0.4
252.09509	0.1
255.06435	0.1
255.15538	0.1
257.04398	0.8
258.05243	28.1
259.05554	0.5
269.04428	0.9
269.08350	0.2
269.15341	0.2
269.17709	0.2
272.06708	0.2
283.05875	0.1
283.15314	0.2
283.21378	0.1
285.03848	0.2
286.04721	39.2
287.05093	0.6
301.07065	100.0
301.16360	2.0
302.07413	1.8
302.10568	0.1
302.86557	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00144	2.1
53.03942	2.6
55.01877	12.5
55.05515	96.7
57.03442	36.8
57.07079	3.3
59.04990	3.5
67.05178	3.0
67.05508	47.4
69.03407	7.9
69.06727	2.1
69.07078	22.2
70.06596	3.9
71.01352	3.5
71.04992	2.6
71.54053	3.0
73.02921	3.6
73.46843	1.8
75.04481	3.9
79.05067	2.8
79.05499	38.6
81.03407	8.7
81.07064	41.4
83.04974	18.2
83.08628	24.6
85.02906	31.5
85.06537	4.2
87.04470	10.9
90.98396	2.2
91.05488	14.7
93.07056	17.4
95.04965	9.8
95.08595	16.2
97.02889	4.2
97.06533	10.1
97.10177	75.5
103.03946	26.5
105.07027	7.1
107.04961	4.0
107.08597	32.5
109.06506	3.4
109.10169	22.1
111.04446	7.4
117.07016	4.7
119.08605	7.2
121.10149	12.7
123.04433	4.6
123.08067	3.9
123.11734	2.6
125.09631	70.7
129.05508	4.6
129.07025	2.9
131.08530	3.9
132.10182	3.3
133.03441	2.5
133.10184	3.3
135.11703	10.0
137.06026	2.8
137.09622	3.7
140.75491	2.2
143.10683	6.8
145.10112	10.6
153.05458	3.1
153.12724	9.6
163.11203	14.8
167.07065	3.9
169.12262	3.8
171.10110	2.6
173.09665	2.8
173.11708	4.6
181.12265	7.4
185.11720	2.5
187.13321	2.4
189.11153	6.0
191.10684	4.9
199.13222	12.4
209.11699	11.7
216.09209	4.2
217.14381	2.3
227.12793	16.6
229.14284	4.6
230.05743	2.7
240.23291	4.2
243.10890	4.1
245.10977	2.4
245.13834	5.5
253.05141	2.2
257.13791	11.5
258.05234	21.7
269.12842	6.3
283.15372	16.7
286.04764	32.0
301.07098	100.0
301.10516	4.0
301.16498	90.0
301.21597	3.4
301.29276	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	301.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.01864	0.4
55.05508	0.4
56.96553	0.6
57.03432	0.4
57.07045	0.4
61.02917	0.4
69.03424	1.2
69.07074	0.4
70.01070	1.2
70.06586	1.2
72.08137	0.4
73.02889	0.6
79.05495	0.6
81.07039	1.1
82.55565	0.4
83.04960	0.4
84.04498	0.6
84.08153	0.9
85.02913	2.5
86.09727	0.9
90.05570	0.5
91.05481	0.6
93.07042	0.6
95.04964	0.6
95.08617	0.5
97.02917	0.9
97.07665	0.4
98.97579	1.1
112.11267	0.4
112.89139	0.4
116.98586	0.5
119.04968	0.4
121.02822	1.0
121.06525	0.8
121.07658	1.7
123.08040	0.4
127.03931	0.7
131.01904	0.4
135.04385	0.6
136.07640	0.5
136.15973	0.3
137.05997	1.0
138.03685	0.4
138.06364	0.5
139.03926	2.2
139.05849	0.4
139.07585	0.5
139.08643	3.3
140.07088	0.4
145.04988	1.0
147.04399	0.6
147.52815	0.4
148.04665	0.3
158.08186	0.4
161.02937	0.5
167.07024	1.2
171.07816	0.4
177.03966	0.4
177.05382	0.8
183.26204	0.3
202.10667	0.5
203.03899	0.5
210.56271	0.7
221.05060	1.7
252.48291	0.4
258.05289	1.5
286.04810	2.3
301.07642	6.4
301.12589	100.0
302.12830	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1071
Annotation	2'-O-Methylsepiol
Peak:m/z	Relative Intensity
50.97176	0.4
53.03945	0.7
55.01860	0.6
55.05515	2.6
57.03447	0.9
60.65751	0.4
60.96865	0.5
65.03938	1.1
67.05505	5.2
68.99772	0.6
69.07071	0.7
69.87682	1.3
69.88084	1.2
72.43324	0.5
73.06408	0.5
79.05491	5.7
81.03421	1.0
81.07064	4.4
83.05000	0.7
83.05483	0.5
83.08615	0.9
85.02900	0.7
91.05485	2.0
93.07063	1.5
94.04199	0.5
95.04976	7.2
95.08596	0.8
96.05749	1.0
97.10146	1.2
105.04536	0.4
105.07019	1.0
107.04950	2.1
107.08574	1.1
109.02883	2.3
109.06526	3.0
109.10132	0.8
110.03648	0.7
111.08064	2.6
119.04923	0.8
119.08575	0.8
120.95019	0.5
121.06532	0.9
123.04436	90.8
124.05227	6.8
125.05997	1.3
125.09632	1.3
129.05467	0.5
131.04904	0.5
131.08612	0.6
135.04417	2.1
137.02383	0.6
139.07547	23.4
146.14305	0.5
147.04408	6.6
148.05128	0.5
149.05939	0.7
151.03958	0.5
151.07581	1.1
153.01857	0.8
153.05482	5.5
158.72006	0.7
161.06001	0.7
162.58777	0.4
163.03899	4.6
163.11264	0.5
167.07048	100.0
168.07399	0.6
176.04686	1.3
179.07043	0.7
181.06422	0.6
185.06152	0.6
189.05583	0.6
191.07042	14.3
191.08791	0.8
213.05405	1.2
217.50168	0.5
226.06221	0.7
227.07040	0.6
229.04990	0.9
239.07054	0.6
241.04881	0.9
241.08708	0.6
245.08302	0.5
252.07581	0.5
253.08356	0.6
254.05841	0.6
255.06461	1.1
258.05304	9.2
268.28369	0.6
269.08099	1.6
270.08826	2.1
273.11169	1.3
283.10043	0.5
285.36517	0.5
286.04755	15.4
286.07764	0.5
301.07010	33.4
301.10611	11.2
301.16339	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0707
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
62.63895	0.2
71.27466	0.6
75.48035	0.3
77.78745	0.2
105.60385	0.2
111.83517	0.3
134.03658	0.7
152.01091	0.3
153.01834	1.9
213.05508	0.8
229.04947	2.3
230.05809	0.3
241.04936	1.6
257.04559	0.6
258.05258	28.9
259.05649	0.3
269.04419	2.5
275.58334	0.3
286.04721	48.1
287.05115	0.4
301.07065	100.0
302.07385	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.07
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.1
55.05502	0.2
56.05011	0.1
57.03436	0.6
57.42629	0.1
65.62440	0.1
67.05511	0.5
68.99792	0.2
69.07046	0.1
70.06583	0.2
70.77958	0.2
71.05006	0.2
71.06930	0.1
79.05485	0.4
80.04996	0.1
81.07037	0.3
82.06561	0.1
83.04964	0.3
83.08601	0.1
84.08150	0.1
91.05467	0.4
93.07077	0.5
95.04986	0.1
95.08591	0.1
98.09693	0.1
99.04509	0.1
105.07005	0.2
107.04985	0.1
107.08601	0.4
109.06512	0.1
109.10151	0.4
110.09643	0.3
111.04462	0.7
111.08057	0.1
117.05508	0.7
117.07007	0.1
119.08572	0.1
121.10128	0.2
122.09669	0.2
123.04446	0.1
124.05193	0.1
124.11229	0.2
129.07025	0.1
130.06531	0.6
131.04927	0.1
131.08566	0.1
132.04413	0.2
133.10059	0.1
134.03630	0.3
135.11678	0.3
137.02339	0.2
137.05989	0.1
142.06410	0.1
145.10097	0.2
146.05989	0.1
147.11679	0.1
149.05988	0.2
149.09647	0.1
150.03038	0.1
151.03842	0.1
152.01041	0.2
152.06248	0.1
153.01836	1.5
153.07004	0.1
153.12750	0.3
156.10172	0.3
157.07617	0.1
158.06027	1.0
160.07574	0.3
161.05974	0.1
163.11180	0.3
168.10217	0.1
173.09692	0.1
175.08710	0.4
181.06464	0.2
181.12144	0.4
184.05098	0.1
185.05913	0.1
191.10692	0.3
197.06027	0.1
198.06752	0.1
203.03520	0.1
209.11821	0.2
212.04779	0.1
213.05473	0.2
213.08878	0.1
223.07504	0.1
227.12756	0.5
229.04964	2.1
229.07286	0.1
229.14218	0.2
230.05777	0.3
241.04967	0.7
241.08670	0.2
245.08171	0.2
255.14961	0.5
257.04498	0.5
258.05243	33.3
259.05612	0.2
269.04407	0.7
273.03787	0.1
273.07828	0.1
277.65497	0.1
285.03876	0.4
286.04721	49.0
287.05154	0.4
301.07068	100.0
301.15659	1.9
302.07397	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0699
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
55.05508	0.1
56.05010	0.1
56.10103	0.1
57.03428	0.1
67.01886	0.1
67.05489	0.2
68.05025	0.1
68.99791	0.1
69.03442	0.1
69.07042	0.1
70.06596	0.4
70.77806	0.1
70.78128	0.1
71.06913	0.2
79.05478	0.2
81.07039	0.2
82.06579	0.1
83.04972	0.1
83.08603	0.1
91.05511	0.1
93.07020	0.2
94.06564	0.1
95.08601	0.1
98.09701	0.1
105.07011	0.1
107.08622	0.1
109.02942	0.1
109.10165	0.1
110.09666	0.2
111.04414	0.1
111.08113	0.1
112.11238	0.1
117.05482	0.2
119.08594	0.1
121.10141	0.2
122.09680	0.3
130.06514	0.6
132.04427	0.2
133.10092	0.1
135.11722	0.1
145.10100	0.1
146.05991	0.2
149.05956	0.2
153.01823	0.8
156.10205	0.2
157.07605	0.1
158.06044	0.8
160.07594	0.2
163.11156	0.1
168.10265	0.1
173.09532	0.1
175.08705	0.3
181.12187	0.1
191.10657	0.1
201.05502	0.1
212.04575	0.1
213.05353	0.1
226.06445	0.1
227.12781	0.2
229.04970	1.4
230.05534	0.1
240.07399	0.1
241.04849	0.1
245.08205	0.1
255.14989	0.3
257.04480	0.6
257.16541	0.1
258.05243	35.7
259.05643	0.3
269.04425	0.2
273.07779	0.1
285.03897	0.1
286.04721	52.3
287.05084	0.5
301.07068	100.0
301.15524	1.9
302.07379	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0705
Annotation	5,7,2'-Trihydroxy-6'-methoxyflavone
Peak:m/z	Relative Intensity
53.77077	0.2
54.19588	0.3
55.01859	0.9
65.98633	0.3
66.02274	0.2
67.01851	0.7
67.05531	0.4
68.99789	1.4
69.07071	0.3
70.58164	0.5
70.58500	0.4
77.58943	0.2
79.05506	0.5
81.07081	0.3
95.08552	0.3
105.03375	1.3
107.04961	1.6
111.04429	0.7
115.05473	0.6
123.04433	1.4
125.02384	0.3
128.06267	0.4
133.28578	0.3
134.03668	0.4
135.04436	0.5
137.02325	0.5
147.04395	0.5
147.08072	0.6
149.02376	0.5
153.01845	0.5
160.05264	0.5
161.02353	3.6
161.05960	1.1
163.03847	1.8
163.24016	0.3
167.03409	15.8
171.04410	2.4
175.03900	1.5
175.07532	2.0
185.05995	0.9
188.04709	1.5
188.07872	0.3
189.09048	0.3
199.07527	0.3
202.06303	0.6
203.07043	7.5
205.04955	0.7
212.04689	0.4
213.05377	0.8
216.04196	2.2
217.04898	0.4
217.08560	1.8
219.06494	0.4
224.32538	0.3
227.07130	1.3
230.05696	1.3
231.06517	25.5
233.08051	0.8
240.04233	1.3
241.04970	0.7
245.08087	5.7
250.40045	0.3
255.06488	1.3
258.05304	0.4
259.06009	2.5
268.03568	0.6
273.07590	2.3
283.05972	1.8
286.04626	0.8
286.07458	0.7
301.07062	100.0
302.07346	0.6
317.03372	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0707
Annotation	Diosmetin
Peak:m/z	Relative Intensity
54.69785	0.2
55.01854	0.4
55.05495	0.5
57.03427	0.2
65.03947	8.4
67.05503	0.6
68.99776	0.2
69.03455	0.2
69.07051	0.4
70.27662	0.4
74.00800	0.2
79.05472	0.6
81.03417	0.3
81.07051	0.3
85.02892	0.2
88.26203	0.2
91.05445	0.3
93.03406	0.2
93.07010	0.3
94.04193	0.3
95.04983	0.3
95.08567	0.3
97.10181	0.5
103.03905	0.2
105.03438	0.2
105.07008	0.2
107.04942	0.5
107.08620	0.2
109.06543	0.2
109.10175	0.3
110.03654	0.3
111.04434	0.8
119.04928	0.2
121.02862	0.4
121.03969	1.1
121.06514	0.2
121.10169	0.2
123.00808	0.5
125.09651	0.4
131.04878	0.2
132.10172	0.3
137.02325	0.2
138.03081	0.3
141.05476	0.3
149.02348	0.2
151.03957	0.4
162.47371	0.2
166.02686	1.0
167.03406	2.2
168.05737	0.2
171.04430	0.2
179.03406	0.5
180.04172	0.7
184.03671	0.6
199.03929	0.4
199.07622	0.2
200.04610	0.2
203.03674	0.2
208.03758	0.4
209.04453	11.3
212.04642	0.3
216.04208	1.7
227.06952	0.4
241.05179	0.2
244.03653	1.0
245.04295	0.2
245.08168	0.2
257.13779	0.2
258.05264	3.4
259.06021	5.5
273.07559	0.4
283.06018	0.4
286.04700	2.8
300.28992	0.4
301.07071	100.0
301.29257	0.6
302.07455	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0706
Annotation	Diosmetin
Peak:m/z	Relative Intensity
53.03928	0.2
55.05503	0.1
57.03403	0.1
62.19569	0.1
66.04735	0.1
67.05479	0.2
68.99799	0.4
69.03416	0.1
71.05009	0.1
71.53877	0.1
72.20425	0.1
77.03983	0.1
78.04733	0.1
78.89140	0.1
79.05466	0.2
81.07027	0.2
91.05444	0.3
93.07059	0.2
95.04965	0.1
98.81993	0.1
105.03429	0.1
105.07016	0.1
106.04155	0.2
107.04932	0.4
107.08564	0.1
109.02868	0.3
111.00790	0.1
111.04398	0.1
112.81400	0.1
119.04929	0.3
121.06501	0.8
121.10163	0.1
123.04414	0.1
124.01597	0.1
125.05978	0.1
126.03082	0.2
129.07033	0.1
134.03621	0.2
135.04422	2.4
135.05409	0.1
135.11684	0.1
137.02338	1.4
137.05994	0.2
139.03900	3.4
144.05693	0.1
147.04422	0.2
148.05142	0.1
149.05984	0.3
150.03090	0.3
152.01054	0.3
153.01830	5.8
157.06522	0.1
158.09718	0.1
160.01532	0.3
161.05978	0.9
165.01831	1.9
169.06570	0.1
170.02115	0.1
171.08035	0.2
175.03850	0.3
175.07571	0.1
176.04716	0.1
177.12787	0.1
181.06378	0.1
183.02872	0.6
184.05180	0.4
185.05977	0.3
189.05446	0.2
196.05223	0.1
197.06029	0.2
199.03781	0.1
201.05461	0.7
202.06241	0.4
203.06976	0.1
212.04691	0.8
213.05438	1.4
215.07021	0.1
216.04155	0.1
224.04642	0.1
227.07060	0.4
229.04951	3.1
230.05745	6.1
240.04219	0.3
240.33507	0.1
241.04919	1.7
242.05698	0.3
243.02962	0.2
245.08113	0.9
252.04233	0.1
255.06512	0.7
257.04465	1.3
258.05246	10.9
259.05713	0.1
268.03665	0.4
269.04410	1.7
269.17419	0.1
272.06763	0.8
273.07510	0.3
283.05963	0.6
285.03860	0.5
286.04715	11.5
287.39371	0.1
300.06012	0.2
301.07056	100.0
302.07394	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0085
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	5.2
66.50410	0.5
68.20287	0.4
69.26563	0.9
69.26965	3.2
71.55096	0.4
71.95261	1.7
72.69883	0.4
76.35451	0.5
80.29962	0.4
88.05647	0.5
98.20788	1.0
98.97594	100.0
99.97937	4.8
101.97176	0.5
102.96873	0.5
116.98633	33.6
117.98980	1.3
119.20815	0.5
134.99672	6.1
136.00034	0.4
140.00250	0.6
144.03217	0.4
153.00772	0.7
174.97638	0.6
182.72704	0.4
188.00252	0.5
198.97697	0.5
215.05922	0.6
219.02084	1.0
220.02229	0.7
234.99928	0.7
240.98712	3.5
241.98744	2.5
258.99792	34.2
259.99954	28.0
260.99661	1.4
274.62009	0.5
277.00839	36.0
277.97736	1.4
278.01010	27.5
278.96762	0.8
279.00906	0.7
282.99857	4.2
295.96021	1.4
300.02448	0.8
300.97629	1.9
301.01147	4.6
301.09641	3.2
309.41653	0.4
318.98645	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	301.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.3
65.00471	0.3
67.05498	0.5
68.99775	0.4
69.48655	2.0
76.83859	0.3
79.05496	0.6
81.07072	0.7
88.06186	0.2
88.26828	0.3
89.03925	0.5
91.05483	0.9
93.07050	0.7
95.04935	0.3
95.08607	0.6
105.07046	0.6
107.05006	0.7
107.08588	0.8
109.06485	0.4
109.10123	0.6
115.05408	0.3
119.04950	0.4
119.08552	0.4
121.06520	0.6
121.10170	0.3
123.00739	0.6
123.04419	1.2
124.01590	0.4
129.07007	0.3
131.04887	0.4
133.06509	0.4
133.10150	0.4
134.03653	2.4
141.07005	0.4
145.06482	0.3
147.04411	0.9
149.02357	0.8
149.05963	0.6
152.01044	0.8
153.01833	8.1
153.07062	0.4
157.06537	0.6
159.11717	0.3
165.07048	0.7
167.07085	0.9
167.67206	0.3
170.02097	0.6
175.03902	0.7
179.07277	0.3
181.06512	0.6
185.02975	0.3
185.05997	0.6
193.06602	0.3
195.89119	0.4
196.05075	0.3
197.06029	0.4
199.03853	0.6
201.05496	0.5
202.06314	0.5
203.09279	0.4
211.07539	0.8
212.04730	0.5
213.05505	2.3
225.05702	0.4
226.06169	0.6
229.04944	5.8
230.05687	2.4
231.26373	0.3
239.07013	0.4
241.04973	9.5
241.08688	0.5
245.08109	1.4
257.04355	0.7
258.05255	14.9
268.03799	0.7
269.04483	7.1
269.07544	0.4
271.09686	0.3
273.07559	0.5
285.03870	2.0
286.04727	32.5
301.07083	100.0
301.10223	4.2
301.15280	1.7
302.07498	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
53.75633	0.2
55.01856	0.3
55.05513	0.6
57.03434	0.3
58.99594	0.3
60.22894	0.3
60.69375	0.2
61.41478	0.2
67.05507	1.7
69.03425	0.3
69.07078	0.9
69.96484	0.2
71.05000	0.3
71.53821	0.3
72.08169	0.3
79.05489	2.6
81.07065	3.1
82.06609	0.3
83.05001	0.3
83.08632	0.5
84.04519	0.4
85.01128	0.4
86.00649	0.8
86.06071	1.7
87.02697	0.7
87.04447	0.3
91.05476	1.2
93.07057	1.2
95.04964	0.5
95.08618	3.2
96.56580	0.2
98.09690	0.5
103.05477	0.7
104.10758	0.8
105.07037	42.1
106.07380	0.3
107.08608	1.0
108.08140	0.6
109.06519	0.3
109.10152	1.1
113.04230	0.5
117.06995	0.5
119.08564	0.5
120.08121	1.0
122.02747	0.5
122.09676	1.4
123.10429	0.3
131.08632	0.3
132.01167	1.9
134.09615	0.5
135.04494	0.4
135.11702	0.4
136.11218	6.0
137.13269	0.7
147.11771	0.4
148.12027	0.3
149.12025	0.4
150.12778	1.5
151.14821	0.7
152.14325	1.1
155.14317	0.4
158.09641	0.4
159.04764	1.4
164.14345	1.0
165.15182	0.6
172.11208	0.3
174.12801	0.3
179.14305	1.2
184.11238	4.1
186.12802	0.5
198.12805	0.6
199.13585	0.6
202.08995	5.3
202.12219	3.2
202.15942	1.7
212.14334	1.1
214.15945	0.7
226.15919	4.4
227.16754	0.5
228.17522	0.9
236.16431	0.4
254.19046	1.0
256.20612	100.0
257.20883	0.6
258.05304	0.6
258.22156	0.7
272.06219	0.3
282.17798	0.4
285.07153	1.0
286.04724	1.0
300.06049	0.8
300.09534	2.0
300.23218	86.5
301.07077	4.8
301.10501	0.3
317.01724	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	14.1
57.03428	3.9
58.99572	7.2
65.03947	2.7
67.05508	85.7
69.03419	3.9
69.07083	11.1
69.99222	1.7
70.81464	4.4
71.04976	2.9
72.08147	5.2
76.02233	13.3
79.05492	13.7
81.07061	53.5
81.25442	1.6
83.04965	4.0
83.08611	4.2
85.06507	1.6
86.99043	4.9
87.02692	2.4
91.05473	9.8
93.07053	18.1
95.04990	9.5
95.08610	100.0
97.06515	3.1
97.59062	1.7
99.93603	1.6
105.00087	6.7
105.07017	10.4
107.08591	8.9
109.06514	3.1
109.10160	83.2
117.07035	1.7
119.08595	15.4
121.10123	6.2
122.02733	53.9
123.08073	7.6
133.10133	4.7
134.03658	1.8
135.11659	3.9
137.09641	7.1
151.14827	69.0
157.78412	1.7
159.04720	3.4
161.13278	13.5
167.03349	2.7
167.07103	2.9
176.07417	1.9
179.14328	74.4
197.05684	2.4
202.08987	5.4
211.07147	4.9
212.74289	1.7
213.05547	2.8
227.88034	1.9
239.06581	10.0
240.07317	2.6
242.05330	3.3
245.08136	6.0
249.57678	2.0
254.05347	1.8
255.06729	3.3
256.06943	2.9
257.07733	3.4
258.05270	2.3
267.06146	4.8
268.06842	4.7
270.04623	2.7
273.07541	2.7
284.06436	7.1
285.07135	25.4
286.04736	3.4
300.06323	3.3
300.09500	90.8
301.07098	29.0
301.10495	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	300.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03467	3.5
54.66808	0.7
55.01863	1.1
55.05497	3.0
56.05038	3.8
57.03421	1.7
67.05506	3.2
68.05042	3.2
69.03407	1.0
69.07043	2.7
70.06593	10.8
71.04968	1.1
71.53435	0.7
71.53799	0.9
72.08140	1.5
73.02905	1.1
74.06055	0.8
76.47097	0.6
79.05499	3.7
80.04992	2.6
81.03407	1.8
81.07058	11.5
82.06578	1.5
82.07368	0.8
83.08601	1.4
84.04105	0.7
84.04504	6.8
84.08150	1.4
86.06052	0.7
86.09686	2.0
87.04477	0.7
90.05571	1.3
91.05471	2.4
93.07032	1.6
94.06547	2.6
95.04960	1.0
95.08583	2.4
96.04491	29.5
96.05116	1.5
96.08094	0.8
97.06496	1.1
98.06053	0.7
98.97583	1.4
99.08067	1.0
100.03969	0.8
100.07571	0.8
102.05542	15.0
105.07009	2.3
106.06572	0.9
107.04955	1.6
107.08588	1.8
108.04499	1.1
108.08134	1.4
109.06441	0.7
109.10176	1.5
110.02389	1.7
110.06063	4.0
110.07137	0.8
111.04427	0.9
112.03973	0.8
112.07601	2.1
113.07095	1.4
114.05507	2.6
119.08569	1.6
120.04448	1.7
120.08112	1.3
121.10140	1.0
122.06030	0.9
124.03887	2.3
124.04762	0.8
126.05549	1.3
127.08675	1.6
128.03438	36.5
128.07072	33.7
130.04951	1.0
130.06531	1.8
130.08629	1.1
131.08562	1.1
131.47581	0.7
132.04416	0.7
136.03943	1.4
137.02338	1.2
138.05478	9.3
138.09134	1.5
139.08658	2.4
140.03366	1.2
142.04996	12.0
145.10162	0.8
146.06007	1.7
149.02365	0.8
149.09610	1.0
150.05499	0.8
154.05023	1.0
155.08171	2.0
156.06554	64.8
157.07651	5.3
158.06017	2.3
164.10692	2.3
166.05005	3.5
166.08585	1.2
167.03525	1.2
167.08160	0.9
168.06622	1.0
175.08676	2.3
175.11162	0.8
184.06070	5.2
185.07202	1.0
192.10167	0.9
193.12206	1.1
202.07103	100.0
208.09688	3.1
210.11250	27.5
210.14711	1.1
211.11493	0.7
211.13315	2.3
213.05531	1.8
225.06567	3.3
225.08629	0.9
226.07222	0.8
228.15898	1.3
229.03885	1.5
230.06572	8.4
240.06464	1.1
240.08807	11.5
241.04996	1.2
246.11223	1.0
254.13445	1.4
254.17523	1.9
264.12152	1.6
268.08231	1.4
269.04385	1.4
271.04773	1.5
273.07556	1.2
282.13336	21.5
282.16858	0.9
300.10895	7.0
300.14386	64.4
300.21652	2.5
301.07092	8.1
301.10507	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1079
Annotation	anthraniloyl-O-glucose
Peak:m/z	Relative Intensity
51.02386	1.1
52.48849	0.8
55.01871	2.8
55.05512	1.1
57.03428	3.4
58.36333	0.8
61.02934	3.7
65.03944	0.8
67.05524	0.9
69.03432	11.3
70.06599	33.3
71.04989	1.3
71.53444	1.1
71.53856	1.1
72.08184	1.7
73.02914	2.8
79.05510	1.7
80.04993	1.2
81.03413	3.1
81.07066	1.9
81.92218	0.9
83.08623	0.9
84.04505	4.2
84.08153	1.1
84.36623	0.8
85.02912	46.1
86.06094	0.8
86.09712	47.8
87.04471	1.1
88.03996	2.6
89.06040	7.5
90.05579	1.3
91.05473	1.4
92.05025	2.8
93.07021	1.0
94.06561	1.0
95.08646	1.0
96.04501	1.3
97.02363	1.1
97.02917	10.5
97.06527	2.9
99.04446	2.2
103.03954	2.2
104.04996	1.8
106.06540	1.8
109.02905	4.7
110.06062	0.9
115.03926	2.2
116.07102	81.4
117.07054	0.9
118.06551	1.0
119.08637	1.2
120.04475	100.0
124.07596	0.8
127.03923	8.3
130.05032	2.0
130.06529	1.8
132.04463	16.6
133.05287	1.1
133.08636	3.7
134.06044	12.0
136.06221	5.9
137.05975	1.2
138.05511	57.0
140.07040	1.4
144.04398	1.6
145.04994	4.2
147.04439	1.8
149.05995	1.0
150.01064	0.9
150.05478	1.5
154.06500	1.0
157.07628	1.6
157.13388	19.1
162.05507	10.2
170.06075	1.5
171.11353	1.7
172.07610	1.3
174.05528	2.0
177.11209	1.3
179.07021	2.1
180.06569	7.7
184.13316	1.3
185.07178	1.1
185.12888	11.6
186.05460	1.9
198.05530	23.3
200.07111	2.7
204.06631	1.0
216.06602	3.0
228.06615	5.3
229.15501	1.2
238.14368	1.3
246.07695	3.5
254.11630	1.0
256.15512	1.1
258.59839	0.8
262.63620	0.8
264.08673	11.4
282.09857	2.0
282.20621	1.5
283.17542	4.5
300.09894	2.4
300.13477	2.2
300.18243	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	299.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01863	3.3
55.05516	13.0
57.03444	17.2
57.07054	1.9
67.05511	34.1
68.99776	3.6
69.03416	1.5
69.07072	14.4
69.34731	8.2
71.04996	5.9
73.06542	1.8
79.05497	18.9
81.03385	1.4
81.07063	81.1
83.04993	6.5
83.08640	5.5
85.06535	6.5
91.05487	33.5
93.07059	15.6
95.04957	3.9
95.08609	18.4
95.73446	1.2
97.06540	9.2
97.10162	1.7
98.21555	2.4
99.08074	3.8
105.07044	40.3
107.04964	3.2
107.08598	13.9
109.06520	6.1
109.10123	4.9
111.04420	1.5
111.08015	1.1
113.05965	1.3
119.07816	2.0
119.08594	28.6
121.10163	16.8
123.08049	3.8
123.11715	20.7
125.05999	1.6
127.07572	1.4
128.06224	1.7
129.06993	5.3
131.08559	4.9
133.06543	1.6
133.10158	12.1
135.04396	1.1
135.11693	1.6
137.02328	2.3
137.05894	1.6
137.13217	2.8
142.07738	1.4
143.08575	1.3
145.10132	1.6
146.21902	1.3
147.08058	2.3
147.11697	74.3
149.09619	2.7
151.03923	1.4
151.11201	1.2
157.10115	7.2
162.03088	1.8
165.12767	52.4
167.03398	2.5
175.11179	9.5
183.13760	2.3
184.05193	2.3
187.07578	2.3
193.12283	10.9
195.04375	1.4
197.15363	9.3
199.07541	1.6
200.04659	2.3
210.06734	3.2
212.04607	1.9
213.05469	1.8
225.05409	1.5
227.07043	2.9
228.04138	4.6
229.14406	3.2
231.10049	1.4
236.08221	1.2
237.05496	8.1
238.06252	6.3
239.03297	3.8
241.04892	1.5
243.06570	9.5
243.10112	3.1
243.15912	2.9
255.06593	9.6
256.03568	1.5
256.07324	2.1
265.04910	4.7
266.05792	10.3
267.06400	2.0
267.16086	2.0
269.04498	3.3
271.06036	17.3
283.06046	18.9
284.03586	2.2
284.06802	8.5
299.05490	36.9
299.09109	100.0
299.18506	47.7
300.09311	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16483	1.2
53.03939	4.3
55.05515	14.9
57.03430	5.3
57.07059	2.2
63.43362	1.5
64.85223	1.4
65.03934	1.4
67.05507	29.5
68.99808	1.4
69.07076	9.5
69.54505	1.7
69.54808	10.0
71.04990	3.0
71.08621	1.9
77.03900	1.4
79.05502	50.1
79.14679	1.3
81.03411	4.9
81.07064	31.8
83.04976	8.7
83.08612	8.1
85.06515	1.8
91.05484	38.6
93.07046	55.3
95.04967	13.7
95.08164	1.5
95.08620	17.5
97.06518	3.0
97.10157	3.4
98.97585	1.9
105.06403	2.4
105.07040	27.5
107.04925	5.3
107.08602	12.3
109.06506	3.4
109.10145	4.9
111.08118	2.3
117.07021	5.9
119.08594	17.7
121.06496	3.0
121.10141	5.0
121.72863	1.3
123.08041	2.8
123.11648	1.9
127.07561	2.6
128.06261	3.2
129.07014	13.1
130.52345	1.4
131.08583	2.1
133.06465	2.3
133.10141	7.1
134.03616	2.3
135.11685	2.5
143.08540	6.4
145.10106	8.2
147.08162	2.1
147.11702	32.0
159.11703	1.7
161.05956	2.2
161.09616	5.0
161.13213	8.7
171.11693	20.1
175.07599	1.8
181.06485	2.5
189.12746	12.0
201.05562	1.5
207.13841	22.1
210.06712	5.4
211.07414	2.2
215.06989	1.8
227.07140	2.1
238.06223	11.4
241.04977	3.0
255.06602	2.2
256.07291	5.3
256.20551	1.4
266.05667	5.1
267.06366	3.1
269.04318	2.2
271.05972	1.8
281.12683	1.8
281.17487	58.6
283.05988	11.6
284.06802	29.1
299.05588	7.2
299.09128	100.0
299.19992	2.4
300.09464	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	299.149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86484	1.6
53.00311	10.1
53.03938	4.7
55.01884	7.7
55.05272	2.5
55.05514	35.4
57.03182	2.3
57.03440	21.6
57.07071	3.5
59.04988	2.4
67.05509	22.2
69.03425	4.3
69.07056	7.4
69.41895	10.9
71.01347	3.9
71.04966	2.5
79.05497	17.9
81.03409	7.5
81.07063	32.8
83.04981	4.7
83.08226	2.1
83.08638	25.0
85.02896	2.2
85.06545	4.2
91.05487	28.3
93.07056	25.9
95.04971	6.7
95.08606	12.2
97.02886	9.6
97.06527	4.9
97.10167	5.7
98.20781	4.0
99.00202	3.4
99.00822	47.7
99.04484	2.3
103.05504	2.5
105.07040	24.9
107.04982	10.9
107.08593	12.2
109.02892	16.3
109.06508	5.7
109.10167	10.5
110.96462	1.6
111.04433	2.7
111.08054	5.9
115.03921	4.3
117.07014	6.6
119.04932	2.5
119.08577	16.1
121.06516	14.6
123.04453	1.8
123.08017	2.3
123.11682	6.0
127.03906	4.4
128.06195	1.8
129.06979	1.8
131.08559	4.2
133.06442	2.3
133.10139	64.7
135.08038	3.3
135.11682	2.8
137.05974	2.8
137.09570	1.7
139.07541	6.6
143.08580	8.3
145.06499	2.4
145.10074	3.2
151.11203	20.2
153.06784	1.5
161.09648	35.5
171.08008	7.9
179.10698	26.0
189.09117	24.6
197.11696	11.2
207.10210	10.9
225.11227	37.3
233.49066	1.9
243.12239	6.7
260.47891	1.7
284.06888	1.7
299.05856	2.7
299.09222	7.0
299.14890	100.0
299.20203	3.3
299.23505	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	299.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
55.05511	1.6
55.59960	0.5
56.96530	0.4
57.07074	0.9
58.76002	0.5
67.05524	2.6
68.99801	0.6
69.03419	0.6
69.07077	1.4
69.96660	1.2
69.97047	0.8
71.08631	0.5
79.05499	2.1
81.07059	4.6
83.04965	0.8
83.08623	1.2
91.05491	1.8
93.07044	1.1
95.04965	0.5
95.08618	2.5
105.07037	1.9
105.60305	0.4
107.04959	1.8
107.08585	1.8
108.00381	0.4
109.06504	0.7
109.10168	1.3
111.04456	0.5
111.08147	0.5
119.08611	1.6
121.06437	0.6
121.10140	0.5
123.11678	0.9
124.80129	0.4
125.09591	0.6
131.08606	0.5
133.06488	0.6
133.10146	1.3
134.03633	2.7
136.06197	0.7
137.02310	0.6
137.05975	1.1
143.03423	0.7
145.10144	0.5
147.04471	0.6
147.11702	2.1
161.05972	0.8
161.09647	0.7
165.12709	0.7
171.04462	0.5
171.11679	0.5
175.07516	0.5
181.06488	1.3
184.05228	0.5
195.09943	64.4
196.05180	2.6
197.05838	0.7
199.07632	0.5
200.04602	0.5
209.05946	0.9
210.06744	6.4
211.07561	0.8
213.05489	0.6
214.06192	0.6
215.06995	0.6
226.06319	1.0
227.07062	1.1
228.04131	0.7
237.05453	0.6
238.06258	13.9
239.07022	1.4
241.04967	1.6
243.06500	1.2
253.04936	0.9
254.05699	0.6
255.06557	9.3
255.09129	0.5
256.07266	1.3
266.05798	7.0
267.06436	1.4
269.04465	2.0
270.05331	3.2
271.05988	2.3
281.04626	0.9
281.13638	2.0
283.06024	27.9
284.03503	1.0
284.06784	13.6
299.05624	7.5
299.09134	100.0
299.14279	12.8
300.09363	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41226	1.7
54.97533	1.8
55.05505	3.2
56.96571	12.8
67.05497	6.1
69.07063	3.7
69.80346	1.6
70.06592	3.0
70.43252	3.6
79.05507	2.5
81.03399	2.6
81.07063	6.6
83.08588	2.0
85.43987	1.5
91.05515	2.2
93.07070	3.2
95.08613	6.1
105.07030	2.8
107.04961	2.9
107.08611	3.7
109.10156	3.9
119.08562	4.0
123.11732	1.9
133.06480	2.2
137.06009	4.1
147.04390	3.1
159.11732	1.9
161.06012	2.1
161.09589	2.2
162.03148	2.0
185.04819	5.0
187.57376	1.7
199.07574	3.0
203.05847	3.6
237.05676	2.7
238.06213	3.3
239.07117	3.0
241.05019	3.9
243.10106	3.8
249.07936	4.6
253.05099	3.3
255.06555	17.4
267.06467	5.7
267.09006	55.8
268.07452	3.4
269.04480	9.3
271.06042	3.6
281.15781	4.2
283.06049	18.7
284.06888	11.0
285.10107	46.0
290.10574	4.0
299.05521	22.9
299.09125	100.0
299.12463	34.2
299.20221	3.8
308.11636	2.9
317.12808	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	299.0915
Annotation	2'-METHOXYFORMONETIN
Peak:m/z	Relative Intensity
67.97590	0.3
68.99792	0.3
70.12154	1.1
70.95483	0.3
75.69620	0.2
81.07039	0.4
95.78336	0.3
107.04960	2.5
108.75612	0.3
114.75257	0.3
121.06516	3.3
123.04438	0.3
133.02856	2.2
134.03636	4.4
135.04433	0.3
137.02345	1.0
137.05968	3.6
148.05194	15.9
148.95061	0.3
151.03926	4.1
163.03897	1.2
177.05540	0.4
177.53276	0.3
213.05484	1.0
219.85054	0.3
224.04695	1.3
227.06999	0.8
238.06229	0.8
239.07076	0.9
240.07809	0.5
241.04982	2.7
243.10197	3.0
244.19296	0.3
252.04147	2.8
253.04976	1.0
255.06564	1.2
256.07364	2.0
266.05707	0.4
267.06525	18.6
269.04434	0.9
271.09598	1.2
283.06024	6.2
284.06796	15.5
299.09143	100.0
300.09595	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0916
Annotation	Alfalone
Peak:m/z	Relative Intensity
51.02379	0.2
53.03943	0.6
55.01868	0.2
55.05481	0.1
56.96329	0.1
67.01861	0.4
67.05499	0.3
68.99782	0.2
69.07049	0.1
69.38660	0.9
77.03936	0.3
79.05489	1.2
81.03406	0.2
81.07050	0.3
91.05471	0.3
95.04945	0.8
95.08585	0.3
98.21512	0.2
105.04512	0.4
105.07054	0.1
106.57552	0.1
107.04953	100.0
108.05278	0.3
125.05988	0.3
137.05995	0.3
137.36693	0.1
147.04443	0.2
147.11652	0.1
151.03868	0.2
153.01845	0.5
168.27098	0.1
169.04915	0.1
176.18089	0.1
192.04185	1.2
193.04958	36.4
194.05258	0.2
208.29338	0.1
225.14847	0.1
226.37421	0.1
239.03302	0.2
253.09157	0.1
255.11221	0.4
281.09286	0.2
299.09122	68.5
300.09518	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0914
Annotation	RETUSIN 7-METHYL ETHER
Peak:m/z	Relative Intensity
55.05517	0.9
57.07087	0.6
59.79665	0.5
67.05493	1.3
69.52570	2.5
71.08609	0.5
73.59455	0.4
79.05501	0.7
81.07053	1.3
83.04990	0.7
91.05480	1.1
93.07043	1.2
95.08592	1.1
105.03347	0.5
105.07056	0.6
109.10184	0.6
111.04438	0.5
118.04179	1.0
119.08576	0.9
121.06483	0.6
124.58210	0.4
127.52219	0.4
133.06528	0.7
133.10126	0.5
135.04396	0.4
137.05975	2.8
138.03152	1.7
153.05527	0.5
158.03647	1.6
163.03955	2.7
166.02586	4.0
167.03395	1.8
184.03670	3.4
193.05005	0.5
197.06012	0.6
200.08327	0.8
211.07693	0.5
224.04648	0.6
225.05389	0.6
227.07039	5.8
228.07697	1.0
239.07043	0.7
241.05109	0.4
243.10176	4.2
255.06467	3.2
256.07312	8.3
266.05710	0.9
267.06519	2.6
271.97760	0.5
281.26859	0.5
282.28049	2.9
283.06104	3.7
284.06824	8.7
299.09164	100.0
300.09378	0.5
319.63916	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2743
Annotation	Cassine
Peak:m/z	Relative Intensity
53.03938	0.7
53.67200	0.5
55.05518	9.4
56.05042	6.8
56.88092	0.6
57.03445	0.6
57.07079	3.4
58.02949	1.6
60.04515	1.8
60.49323	0.5
65.03927	0.7
67.04264	0.7
67.05509	15.3
68.05040	2.8
69.06734	0.9
69.07076	11.7
70.70277	1.7
71.08630	1.3
72.04511	1.1
79.05080	0.6
79.05505	10.2
80.05010	1.4
81.03432	0.9
81.07066	14.5
82.06591	6.1
82.57887	0.5
83.04970	0.8
83.08623	6.8
85.10168	0.6
86.06066	2.2
91.05494	6.2
93.07048	5.7
94.06582	3.0
95.04981	1.3
95.07329	0.5
95.08621	10.8
96.08118	1.9
97.06530	0.9
97.10178	3.3
98.06051	1.3
100.07631	2.1
100.13628	0.5
105.07058	3.7
107.08625	2.8
108.08138	1.1
109.08923	0.5
109.10162	4.9
110.09665	0.6
111.11712	1.0
112.07570	0.9
114.09157	0.6
117.07017	0.8
119.08615	2.9
121.10168	3.2
122.09658	1.4
123.11663	1.4
124.11169	0.5
132.01176	0.6
133.10136	2.3
135.11705	1.3
136.06195	3.4
136.11209	0.6
140.10721	0.8
151.14833	0.6
154.12201	1.0
164.75121	0.6
191.17914	1.0
207.96666	0.5
245.22629	1.2
250.25308	6.7
262.25250	2.9
280.26370	100.0
298.27429	1.6
298.30914	0.5
299.09006	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2742
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
51.89335	0.4
53.03936	1.4
55.05267	0.8
55.05515	10.1
56.05040	5.5
56.69973	0.5
57.07079	3.0
58.02959	1.7
59.22123	0.5
60.04525	3.3
65.03928	0.7
67.04248	0.5
67.05510	15.5
68.05025	2.9
69.07073	10.8
69.87080	2.0
71.03693	0.5
71.08659	0.9
72.04509	1.2
79.05063	0.7
79.05499	10.0
80.05022	1.7
81.03414	0.6
81.07065	14.6
82.06586	8.4
83.04995	0.8
83.08626	5.7
84.08142	0.7
85.10211	0.9
86.06071	2.4
91.05486	5.7
93.07053	6.4
94.06583	3.8
95.04974	0.9
95.07369	0.8
95.08613	11.1
96.08131	1.9
97.06530	0.9
97.10195	2.7
98.06084	0.9
98.20839	0.6
98.47083	0.5
100.07617	1.3
103.06562	0.4
105.07055	3.6
106.66773	0.4
107.08608	2.6
108.08134	0.9
109.10176	3.9
110.12115	0.6
112.07604	0.5
114.09187	0.5
119.08571	2.8
120.08125	0.5
121.10150	3.0
122.09656	0.9
123.11730	1.2
133.10136	1.6
135.11694	1.3
136.06209	3.3
136.11247	0.6
137.13287	0.6
147.11761	0.7
156.69376	0.5
161.13322	0.5
191.18011	0.8
204.58379	0.4
207.58070	0.5
245.22751	0.9
250.25331	6.4
262.25296	3.6
280.26370	100.0
298.27420	1.6
299.05643	0.9
299.09262	0.7
315.71118	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39693	0.2
54.18003	0.2
55.05521	0.4
58.06604	14.7
67.05510	0.4
69.07069	1.1
69.64167	0.6
69.64575	1.0
70.06593	0.4
72.04541	0.2
81.07034	0.3
82.06578	0.5
84.08140	0.4
86.06008	0.2
87.09225	0.9
88.07652	1.4
91.05463	0.3
93.07058	0.6
95.04968	0.2
95.07338	0.4
95.08608	1.2
96.08133	0.9
97.98860	0.2
98.06061	0.8
98.21552	0.4
99.09214	0.3
108.08119	0.3
110.09690	5.7
111.08077	1.0
113.07166	0.4
115.08701	3.4
122.09671	0.4
125.80438	0.2
127.08703	0.6
136.06174	0.7
138.12773	2.9
145.57675	0.2
151.86525	0.2
152.05620	0.3
152.10696	1.7
153.10243	0.6
154.12314	0.4
166.12303	1.1
178.12259	1.0
179.11823	1.0
181.13309	0.5
184.13354	7.6
184.31458	0.3
193.13416	0.4
196.13330	1.7
207.14928	0.9
209.12880	1.4
233.82849	0.2
235.14415	2.9
241.19150	1.2
242.02322	0.2
248.39571	0.3
253.15453	1.2
270.50641	0.3
280.20197	0.7
298.21268	100.0
299.21640	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08427	0.2
52.81691	0.2
55.05502	0.5
55.48551	0.2
58.06604	12.0
59.84170	0.2
60.75967	0.2
67.05506	0.3
68.05029	0.3
69.07054	1.0
70.06592	0.6
70.82427	0.4
70.82757	0.3
72.04507	0.3
74.19981	0.2
81.03428	0.4
81.07048	0.3
82.06579	0.6
83.08638	0.3
86.94190	0.2
87.09202	0.4
88.07625	2.1
93.07033	0.5
94.06582	0.5
95.08583	0.7
96.08112	1.0
98.06078	1.1
101.06026	0.5
108.08101	0.4
109.08808	0.2
110.09682	4.6
111.08086	1.0
113.07114	0.3
115.08697	2.6
121.06493	0.2
122.09638	0.3
127.08661	0.6
136.06157	0.7
136.11276	0.3
138.12787	2.1
140.10669	0.2
146.16309	0.2
152.10727	1.2
153.10251	0.4
154.12253	0.4
166.12270	1.0
177.10228	0.5
178.12321	1.1
179.11792	1.0
181.13400	0.5
184.13329	2.9
186.67557	0.2
191.15681	0.2
193.13237	0.5
196.13300	1.3
207.14928	0.4
209.12801	1.3
217.13383	0.4
235.14444	1.9
241.19154	2.2
253.15292	0.6
253.19260	0.3
256.07043	0.2
265.34097	0.2
270.21881	0.3
280.20270	0.4
298.21259	100.0
299.21609	0.7
304.98502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53264	0.2
55.01856	0.4
55.05506	0.5
56.05009	0.2
56.96555	0.8
57.03454	1.2
58.06605	12.9
61.01125	0.4
61.02909	1.0
61.80388	0.2
62.06091	0.3
62.75699	0.2
67.05504	0.5
69.03442	1.8
69.07072	1.4
70.06580	1.0
71.04986	0.7
71.52187	0.2
71.52612	0.3
72.04520	0.4
72.08144	0.2
73.02927	1.7
74.03246	0.3
75.02687	0.2
79.05554	0.3
81.03410	1.2
81.07027	0.3
82.03761	0.3
82.06570	0.3
82.64249	0.3
83.04969	0.3
84.08151	0.7
85.02908	3.0
86.03230	0.4
86.03692	0.5
87.04464	0.2
87.09216	0.5
88.07631	1.2
91.05457	0.3
93.07054	0.7
94.06579	0.5
95.04959	0.4
95.07343	0.3
95.08601	0.8
96.08121	1.1
97.02904	1.6
98.06051	0.7
98.09733	0.3
98.97580	2.8
99.04451	0.3
99.09177	0.3
101.00864	1.1
101.06010	0.4
103.00642	0.3
108.08137	0.3
109.02868	1.0
110.01243	0.3
110.09686	5.3
110.97610	0.4
111.08089	1.0
112.07575	0.3
113.07117	0.6
114.02614	0.6
115.08713	2.6
116.01326	0.3
116.98619	0.7
117.02100	0.3
119.01892	2.6
119.07034	0.3
121.01666	0.3
121.02866	0.5
122.09674	0.5
127.03979	0.5
127.08684	0.5
128.02309	0.3
128.04205	0.3
128.98613	0.5
129.03061	0.4
131.01842	0.5
134.08194	0.2
134.68051	0.3
135.40329	0.2
136.06181	4.8
137.01866	0.3
137.02945	0.4
138.05492	0.9
138.12781	2.0
139.07532	0.6
140.52437	0.3
141.06641	0.4
143.00107	0.4
143.01968	0.3
145.03477	0.4
145.05031	0.6
147.03053	0.4
148.08696	0.3
150.12790	0.4
152.02316	0.3
152.05711	0.7
152.10706	1.3
152.52455	0.3
153.10242	0.6
154.12228	0.4
158.06624	1.0
158.99751	0.6
160.09653	0.4
161.10124	0.3
161.63676	0.3
165.08977	0.3
166.07269	0.4
166.09790	0.8
166.12317	0.9
170.06525	0.3
170.99706	0.3
173.04695	0.3
175.04544	0.3
176.07632	0.4
177.00752	0.5
178.12260	1.5
179.11789	0.9
181.13368	0.4
184.13326	3.8
185.02884	0.5
186.06233	0.3
188.07706	1.1
189.00760	0.3
191.03905	1.0
191.06604	0.2
191.54111	1.1
191.55951	0.6
192.04492	0.4
193.10822	1.8
193.13400	0.5
196.13376	1.6
197.02872	0.3
199.03723	0.3
200.04391	1.2
200.06325	0.8
200.54590	2.3
200.56483	1.3
201.04977	1.2
201.06987	0.7
203.00400	0.3
207.05238	0.8
207.14870	0.5
207.55498	1.2
207.57121	0.3
208.05864	0.4
209.12830	1.4
209.57106	0.4
216.56004	0.5
217.05687	0.3
219.01889	0.4
221.02992	0.5
233.01483	0.7
235.14449	2.8
238.05603	0.5
239.04111	0.3
239.11418	3.2
241.19118	1.2
251.02513	1.1
253.15483	0.9
257.05161	0.8
261.02951	0.3
265.06412	0.3
266.04993	0.5
270.21719	0.4
274.97507	0.4
275.02316	0.3
275.06219	2.0
278.07605	0.4
280.07507	0.3
280.20169	0.4
284.06216	0.4
288.59857	0.4
293.03537	1.3
298.21274	100.0
299.21695	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0968
Annotation	5'-Deoxy-5'-Methylthioadenosine
Peak:m/z	Relative Intensity
60.77315	0.2
61.01153	4.7
69.03434	0.3
70.56978	0.3
70.57302	0.5
75.02702	2.3
94.04074	0.4
95.71388	0.2
97.02891	1.2
105.74981	0.2
119.03545	1.0
136.06189	100.0
137.06548	0.3
144.64235	0.2
145.03200	1.1
163.04256	1.7
201.11681	0.2
227.17537	0.3
251.32230	0.2
254.13896	0.4
298.09680	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01878	4.8
55.05505	3.2
56.05045	1.1
57.03446	9.7
59.73132	0.9
61.02934	1.7
65.03951	1.4
67.05515	7.1
68.17265	1.0
69.03429	2.5
69.07076	18.5
70.06602	3.1
71.22573	1.8
72.04524	33.5
72.08150	2.2
73.02924	8.8
78.83157	0.9
79.05496	12.7
81.03410	1.8
81.07059	16.2
83.08619	1.1
84.04498	2.7
85.02437	1.3
85.02917	17.5
86.09709	1.1
88.04025	1.1
91.05483	9.3
91.76479	0.9
93.07056	12.6
95.04973	11.4
95.08615	2.7
97.02897	1.7
97.06549	5.0
98.97552	1.3
103.05482	1.6
105.07021	3.7
107.04982	6.7
107.08611	6.7
109.06531	9.9
111.04443	4.5
111.08080	3.4
113.02388	2.6
114.05504	1.9
117.07034	4.9
119.04945	3.8
119.08570	3.2
121.06525	6.8
123.04467	4.6
123.08076	2.9
125.05995	2.3
127.07602	2.0
128.03473	3.5
134.09660	9.8
135.08076	9.4
136.06206	10.5
136.07658	1.3
137.05989	3.5
137.07057	1.7
139.07547	10.7
140.03430	2.0
140.10750	5.4
142.12276	3.8
145.06502	2.0
147.04468	2.1
147.08026	1.6
153.09149	2.1
154.05014	1.5
154.08572	1.3
156.10196	1.1
163.07561	9.0
165.05414	1.2
165.06644	3.8
165.09114	3.1
169.17514	0.9
170.04535	1.8
172.06062	1.8
175.11287	1.0
181.08601	62.5
182.08124	2.1
184.06102	3.3
193.08638	1.3
199.09671	100.0
208.09755	3.9
208.17072	1.3
217.12805	2.2
226.10756	80.6
239.11433	1.1
246.06773	1.1
246.11247	1.2
252.12216	1.1
254.17493	2.8
262.10760	1.6
270.15927	1.1
274.14575	1.3
280.11850	5.9
298.12692	28.9
298.20032	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	297.9913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
56.96294	0.8
56.96565	9.3
57.03434	1.3
57.07065	0.9
58.06342	0.8
58.06606	8.5
58.36658	0.5
59.81768	0.4
61.01147	1.1
61.02924	1.8
69.03443	3.6
69.07063	1.1
70.06593	1.0
71.04999	0.8
71.08627	0.8
71.32807	0.7
71.94923	0.5
71.95263	3.0
72.08138	0.7
73.02911	1.7
79.05508	0.7
80.21906	0.5
81.03416	2.0
81.07058	0.5
81.25285	0.4
83.24574	0.5
84.08124	0.6
84.96033	1.0
85.02910	5.8
86.09720	0.6
87.04473	0.9
87.09177	0.5
87.70113	0.4
88.07611	1.2
90.05601	0.4
91.05493	1.0
93.07085	0.8
95.08610	0.9
96.08144	0.6
97.02900	3.5
98.06118	0.6
98.97590	100.0
101.00868	1.0
101.06016	1.0
109.02863	1.2
110.09686	4.2
110.95597	0.5
110.97575	1.4
111.08064	0.5
112.07591	0.6
115.08693	1.7
116.98631	34.9
118.06578	1.4
119.01940	1.1
122.08508	0.6
126.97221	0.5
127.03933	1.5
127.08601	0.5
128.98611	0.9
130.93332	0.8
131.01898	0.6
134.99667	7.7
136.06201	18.0
137.05984	1.4
138.05511	0.8
138.12784	1.4
140.00163	1.1
143.00140	0.8
143.02005	0.6
145.01775	0.5
145.03337	0.9
145.04953	0.9
147.04416	1.6
148.94028	0.5
150.12813	0.6
152.05733	1.0
152.06961	0.6
152.10667	1.3
152.62187	0.5
153.00629	0.6
154.03888	0.8
154.12360	0.5
158.99680	2.2
161.02991	0.8
163.04298	0.6
166.07281	0.6
166.12270	0.7
172.94379	4.5
173.01100	0.5
177.00774	0.9
178.12227	0.8
182.03397	1.0
184.13332	2.9
185.02904	0.5
188.07735	0.8
190.95447	2.7
191.03967	0.8
193.10840	2.4
196.13426	0.9
200.04483	1.9
200.48495	0.5
201.00818	0.7
208.04956	1.3
209.12814	0.8
210.12402	0.5
214.95418	3.2
216.56012	0.5
217.05542	0.6
219.01814	1.8
232.96481	4.7
233.01352	0.8
235.14407	1.8
237.02859	1.5
239.11389	2.7
241.19150	0.6
250.97461	1.5
251.02487	1.0
253.15543	0.8
256.96448	15.0
274.02353	0.6
274.97525	77.3
280.07050	0.6
280.20364	0.6
287.94385	0.6
292.98584	35.0
293.03702	1.9
297.99139	1.9
298.09433	1.8
298.21286	73.0
298.59256	0.5
304.99948	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2425
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.03951	3.0
54.95033	2.1
55.01863	7.2
55.05516	61.1
57.03435	6.1
57.07085	16.2
59.04987	3.9
67.05509	74.5
69.03413	5.1
69.07073	54.7
69.29742	2.1
69.41957	13.4
71.04982	4.1
71.08643	14.7
79.05498	32.7
81.06586	4.5
81.07064	80.7
83.04977	8.5
83.08150	2.9
83.08626	40.2
85.06541	9.7
91.05489	11.8
93.07054	32.5
95.05029	2.6
95.08617	64.3
97.06506	11.3
97.10183	44.8
99.08082	7.5
105.07024	9.2
107.08611	31.8
109.06483	3.0
109.10164	44.5
111.08090	6.2
111.11780	3.0
117.07024	6.8
119.08594	10.0
121.10142	15.2
123.08073	3.0
123.11728	13.4
125.09647	31.8
131.08578	4.9
133.10153	6.4
135.08060	4.6
135.11699	23.5
137.09619	2.8
137.13290	11.9
145.10138	5.9
147.11676	7.8
149.09622	2.5
149.13257	6.0
151.14839	5.4
153.09161	2.5
153.12729	11.8
153.36514	2.1
159.11722	4.0
161.13269	5.2
163.14847	4.6
165.12747	4.6
167.70164	2.2
169.15903	2.6
171.10257	3.5
173.11824	4.9
173.13312	6.0
175.14835	2.9
177.12750	2.1
179.14380	3.4
183.13840	26.2
187.14886	4.4
189.11261	22.9
191.14253	2.5
198.96634	2.1
209.15367	4.1
223.16986	2.6
243.21132	9.2
251.23680	7.3
261.22198	33.4
279.23215	100.0
280.23608	2.5
297.24536	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	297.1697
Annotation	(-)-Ovalicin
Peak:m/z	Relative Intensity
53.03949	30.3
55.01880	11.0
55.05514	13.0
57.03437	24.9
57.07069	2.2
57.94481	1.9
59.04985	2.3
65.03924	4.0
67.05508	73.9
69.03423	4.6
69.07067	18.9
70.68315	4.9
70.68696	2.2
71.04974	6.7
71.08603	3.8
79.05499	44.9
81.03423	67.2
81.07060	100.0
83.04980	13.1
83.08611	7.4
85.06544	6.0
88.25816	2.3
91.05484	27.2
93.07050	57.1
95.01344	3.2
95.04979	22.4
95.08613	49.0
97.06519	7.2
98.21419	2.8
99.08113	4.6
105.04520	2.9
105.07039	22.5
107.04962	46.5
107.08606	21.8
108.29504	1.8
109.06507	8.0
109.10137	9.0
111.08054	8.0
117.07028	17.5
119.04939	3.0
119.08571	8.6
121.06505	13.2
121.10165	11.2
123.04437	6.5
123.08067	27.4
123.11720	3.7
131.04909	5.4
131.08577	23.0
133.06474	3.9
133.10112	9.0
135.08041	6.5
135.11684	35.0
136.28423	2.3
141.06966	9.2
143.08542	5.0
145.06474	17.7
145.10104	6.4
147.11646	3.7
149.09627	4.1
149.13249	22.3
154.07829	2.8
157.01855	1.9
159.08022	4.7
159.11674	37.3
163.11116	2.5
169.10095	9.5
173.13255	2.0
177.12750	33.7
187.11209	31.7
191.14293	6.5
195.13773	19.8
202.03513	2.3
205.12181	12.2
205.15752	3.8
219.13748	3.2
223.13281	22.4
233.15434	4.2
241.14371	40.4
279.15909	53.8
297.07626	6.2
297.16943	93.3
297.27795	3.1
299.06110	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	296.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.0
55.05506	3.8
57.03423	1.9
57.07064	1.0
59.04994	2.4
67.05501	3.6
69.07079	11.0
70.06298	2.2
70.06599	4.3
71.08639	0.9
72.08147	2.2
73.06564	1.5
79.05473	3.5
81.07068	5.4
83.04994	1.4
83.08610	3.0
84.08141	1.7
87.04444	1.1
91.05484	8.0
92.66471	0.9
93.07053	19.2
95.04993	1.3
95.08620	4.4
97.06526	2.1
101.05996	1.9
103.05479	8.2
105.07019	5.4
107.08579	4.7
108.01175	4.1
108.08119	11.7
109.06627	0.9
109.08926	0.9
109.10158	2.8
118.06570	1.6
119.08566	1.4
121.06516	65.6
122.09680	7.6
123.10414	1.4
126.02226	44.2
133.10098	1.0
134.09691	1.0
135.11717	5.3
136.11227	1.9
142.43584	0.9
150.12805	15.0
151.13597	6.9
152.14342	4.1
153.12721	2.9
176.14363	43.1
178.15935	1.5
180.10239	4.5
198.11313	1.9
206.19058	5.2
222.14894	2.4
224.20123	1.2
250.18037	1.2
250.21722	1.2
252.19614	100.0
265.24319	0.9
278.14316	8.9
296.15155	1.6
296.19873	42.7
296.22253	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	296.2221
Annotation	Stemaphylline N-oxide
Peak:m/z	Relative Intensity
52.03848	0.6
55.05510	2.4
56.05044	0.6
57.03454	0.6
57.07106	0.5
59.05008	1.4
62.77227	0.5
67.05518	2.3
69.07073	1.6
70.06599	1.8
71.05004	0.7
71.53738	0.5
71.54115	0.9
72.08160	2.8
73.06562	0.9
79.05505	1.3
80.05029	0.7
81.07063	2.9
82.06590	0.9
83.05000	0.9
84.08157	3.4
85.06533	0.6
87.04479	0.7
91.05490	1.1
93.07052	3.4
94.06602	0.7
95.08614	2.6
96.08157	1.0
98.06113	0.5
98.97596	0.8
101.06039	1.9
102.09198	0.8
107.08612	1.7
108.08131	10.2
109.08957	0.9
109.10181	1.6
110.09696	2.5
119.08570	1.0
121.10207	0.5
122.09668	7.0
123.10490	1.5
124.11234	0.6
129.10275	0.5
135.11685	2.4
136.11208	2.5
137.13278	1.0
147.06383	1.0
150.12791	17.5
150.13994	0.9
151.13582	5.4
152.14355	6.2
153.12750	0.8
163.07697	0.6
164.14337	1.1
166.12268	1.5
178.15913	1.3
179.14406	0.6
180.10226	1.4
194.11734	0.7
198.14952	2.5
203.16765	0.5
206.19095	4.8
208.13264	0.8
222.14972	2.6
224.20267	1.0
250.18005	1.0
252.19600	100.0
254.17465	2.5
254.21169	6.0
263.48880	0.6
268.22546	1.1
278.14542	0.9
296.22195	88.7
296.55228	0.8
297.22324	0.6
303.54428	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.201
Annotation	Spirasine IX
Peak:m/z	Relative Intensity
51.02373	0.6
53.03946	1.7
54.73717	0.4
55.01860	0.8
55.05496	0.5
56.42700	0.3
56.96568	0.4
67.05502	0.7
69.03430	0.6
69.07061	1.6
69.23969	3.6
70.06593	0.8
70.07391	0.5
71.05013	0.5
79.05495	0.8
81.03441	0.5
81.07051	1.4
82.07388	0.4
84.08129	0.6
85.02899	0.4
86.06032	0.6
91.05486	11.0
93.07050	19.2
94.06568	0.4
94.07419	0.4
95.04955	2.1
95.08639	0.8
95.48782	0.3
98.06072	1.1
98.21542	0.7
98.97590	0.5
103.05472	12.3
105.04514	1.0
105.07029	0.9
107.08621	0.4
109.10154	0.8
110.10497	0.4
118.06559	3.5
118.59876	0.3
119.08557	0.4
120.04494	0.6
121.06512	98.6
127.03839	0.4
130.06543	0.4
132.08095	1.1
133.08873	1.1
146.09648	1.4
153.24481	0.4
176.14359	66.0
177.14700	0.5
180.13835	0.4
207.83228	0.4
219.05240	0.4
220.32661	0.5
268.13867	0.4
278.14969	0.7
296.20117	100.0
297.07498	0.5
297.20593	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03947	4.2
55.01874	18.0
55.05267	2.4
55.05514	34.9
57.03433	7.1
57.07082	10.6
61.79070	1.9
65.03895	2.7
67.05509	51.8
67.05872	2.6
69.03410	5.6
69.07068	23.1
69.66139	1.8
69.83784	8.2
71.04995	2.5
71.08292	2.6
71.08640	32.9
79.05070	2.3
79.05497	33.7
79.05942	1.3
81.03429	13.4
81.06594	3.1
81.07059	57.8
82.60448	1.6
83.04991	11.1
83.08622	25.4
85.06530	6.4
85.10171	7.3
91.05484	29.2
93.07043	38.1
95.04960	11.1
95.08611	33.4
97.06560	13.6
97.10178	14.5
98.95634	2.0
99.08093	27.5
105.04471	2.1
105.07037	26.0
107.04951	3.8
107.08584	23.1
109.06510	7.5
109.10168	24.6
111.08087	24.4
113.09645	10.1
113.80496	1.9
117.07012	6.6
119.07748	3.0
119.08550	16.7
121.06520	2.5
121.10160	18.4
123.08049	7.4
123.11703	7.3
125.09641	12.0
126.75428	1.7
127.06438	1.8
127.07436	2.4
127.11179	2.1
129.06990	3.0
131.08554	6.3
133.10129	15.4
135.08099	2.7
135.11681	14.5
137.09634	4.8
139.11148	5.8
143.08565	2.9
145.10120	7.0
146.06004	3.3
147.11690	20.2
149.02376	17.0
149.09592	6.0
149.13255	13.3
151.11189	24.3
153.12770	3.5
157.10092	4.4
159.11665	5.3
161.13272	12.9
163.11205	10.8
163.14775	2.0
165.12767	18.7
167.10597	1.8
167.14320	2.3
169.12233	1.8
171.11687	3.8
173.13243	2.8
175.11151	2.4
175.14810	6.2
177.12737	1.8
179.14342	10.1
185.13252	2.8
189.11174	8.3
199.14809	2.2
219.07219	2.0
221.15384	3.7
231.21036	4.9
241.19455	6.0
249.22116	6.5
259.20596	9.3
263.30823	1.9
267.67300	1.7
277.21631	100.0
295.22748	42.0
295.26157	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	295.2269
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03939	7.0
55.01865	12.5
55.05274	3.7
55.05515	51.2
57.03432	9.1
57.07064	16.7
59.04976	3.4
60.46599	2.8
64.09871	3.0
65.03946	4.0
67.05511	97.4
68.05842	5.3
69.03443	6.3
69.07070	52.9
70.07385	5.9
71.04987	6.5
71.08636	60.9
71.53249	4.1
79.05496	66.0
80.05835	6.5
81.03431	16.3
81.06590	4.8
81.07062	95.0
82.07384	9.9
83.04983	13.9
83.08620	31.1
85.06553	8.6
85.10166	2.9
86.09702	7.2
91.05476	38.5
92.05803	7.7
93.07050	66.2
94.07380	6.5
95.04977	18.9
95.08611	47.1
96.08945	5.3
97.06540	14.7
97.10172	29.1
99.08103	55.4
105.07037	32.7
106.07360	6.8
107.04945	5.7
107.07842	4.6
107.08601	40.9
107.18903	2.7
109.06507	10.3
109.10166	33.6
110.06840	4.0
110.10455	4.4
111.08086	9.8
113.09637	6.0
117.06995	11.3
119.08568	30.6
120.08924	7.9
121.06490	3.9
121.10136	31.0
123.08072	8.1
123.11692	9.3
124.99953	4.3
125.09618	24.4
129.07010	6.8
131.08546	11.3
133.10141	25.5
134.10481	5.4
135.08047	7.9
135.10835	3.1
135.11731	22.2
137.09584	6.3
137.13333	4.2
143.08591	7.0
145.10143	8.6
147.10684	3.2
147.11723	17.0
149.09581	8.4
149.13303	15.7
151.11186	46.9
159.11684	7.3
161.13310	24.2
163.11237	20.6
163.14807	3.2
165.12720	9.0
171.11688	6.5
173.13313	6.2
175.11307	3.3
175.14850	5.9
177.12773	4.7
179.10738	4.1
179.14351	19.9
181.12241	4.0
184.07393	17.0
184.63347	2.9
185.13278	4.7
189.11206	16.7
189.12758	4.9
195.13866	3.2
198.07661	7.2
204.00769	2.7
207.13737	5.0
221.15323	5.3
231.21010	4.2
235.16805	4.2
241.19460	9.1
249.21735	3.6
259.20407	12.4
277.21576	100.0
295.15268	2.9
295.22443	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	295.2269
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03942	4.3
55.01876	28.3
55.05271	3.2
55.05516	51.7
56.97947	2.3
57.03430	6.5
57.07076	11.9
59.04976	2.9
67.05511	68.2
69.03427	7.6
69.07078	29.0
69.64526	11.1
71.04991	5.3
71.08634	20.7
73.16439	2.2
79.05495	45.9
81.03410	9.1
81.07063	69.2
83.04990	18.7
83.08618	36.6
85.02910	2.9
85.06534	7.1
85.10180	4.9
90.84373	2.4
91.05487	39.9
93.07053	55.1
95.04973	11.9
95.08616	49.4
97.06572	16.8
97.10177	15.6
98.20760	4.6
99.08098	21.2
101.06014	3.2
105.07041	28.6
107.08601	28.0
107.37942	2.3
109.06528	7.6
109.10152	21.3
111.08096	40.8
113.09631	6.4
117.07004	10.3
119.08593	21.5
120.59459	2.5
121.06558	2.7
121.10163	25.5
123.08053	7.5
123.11698	7.1
125.09633	15.3
129.07077	4.7
131.08568	8.9
133.10141	31.7
135.08122	2.9
135.11707	20.2
137.13272	4.9
139.11201	9.8
142.08707	3.7
143.08585	5.0
145.10091	4.0
147.08115	2.4
147.11700	14.3
149.09636	7.1
149.13245	18.1
151.11206	25.6
153.09158	2.8
157.10155	6.7
159.11703	6.8
161.09572	2.6
161.13277	14.4
163.11177	7.1
165.12776	13.9
169.12405	2.4
171.11658	5.9
173.13254	6.2
175.11211	8.1
175.14821	6.9
175.53732	2.3
177.12776	4.8
179.14293	8.7
185.13193	5.1
189.11247	12.3
189.12743	3.1
193.12312	5.0
195.13795	10.1
199.14822	2.5
221.15329	3.5
241.19559	7.1
244.11058	2.2
249.22122	4.9
259.20581	10.7
277.21646	100.0
295.22723	63.7
296.22348	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	295.2268
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03951	14.2
55.01863	6.1
55.05510	20.0
57.07069	5.4
67.05505	53.5
69.07072	34.3
70.60522	4.5
71.05000	2.5
71.08621	4.9
79.05074	2.0
79.05498	30.4
81.03425	50.4
81.07063	42.7
83.04975	12.7
83.08630	9.8
85.10172	2.9
91.05483	20.3
93.07050	29.0
95.04973	31.9
95.08620	22.8
97.06525	3.8
97.10155	6.0
99.08098	5.1
105.07042	20.0
105.46254	1.7
107.08594	22.2
109.06524	6.5
109.10165	16.0
111.08061	1.9
111.21236	1.5
113.09643	2.1
117.06995	3.1
119.08569	11.3
121.10170	7.7
123.08065	2.7
123.11701	5.6
125.09638	5.8
129.07014	3.2
131.08562	3.9
133.10135	12.8
135.08060	3.1
135.11714	7.3
137.09647	2.0
143.08603	1.9
147.11737	10.2
149.09642	2.7
149.13257	6.8
151.11189	38.2
153.09077	4.1
157.10110	2.9
159.11655	1.9
161.13237	10.7
163.11134	1.9
163.14803	6.2
165.12775	9.6
171.10179	2.8
171.11693	5.2
173.13156	1.8
175.11319	2.2
175.14848	4.1
179.14319	5.5
189.12810	3.0
207.13739	5.4
217.19429	2.2
221.15334	1.9
231.21063	11.1
241.19531	7.0
249.22198	2.9
259.20541	7.6
277.21640	100.0
295.22693	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	295.2269
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03937	4.8
55.01873	3.9
55.05518	19.0
57.03421	2.9
57.07070	3.7
63.45589	1.8
65.03925	2.5
67.05508	50.0
69.07079	15.5
71.04994	2.2
71.08634	43.1
73.06560	2.0
77.28894	1.5
79.05068	2.9
79.05495	41.5
80.33296	1.6
81.03419	7.8
81.07064	53.1
83.04998	11.8
83.08614	10.6
85.06538	3.1
91.05481	23.9
93.07053	57.1
95.04445	1.5
95.04961	6.7
95.08611	38.9
97.06560	10.1
97.10173	5.7
99.08096	37.3
105.07029	17.4
107.04956	4.8
107.08604	32.9
109.06526	3.2
109.10163	18.4
111.08010	4.0
113.09659	3.1
117.07034	3.4
118.31966	1.6
119.08597	14.2
121.10149	29.2
123.08067	2.6
123.11707	2.7
125.09648	4.6
127.11245	2.0
131.08577	4.3
131.64101	1.5
133.10133	13.6
135.11710	36.6
137.09637	4.6
139.11208	2.9
141.09109	5.9
143.08501	1.8
145.10143	5.5
147.11671	6.1
149.13274	12.0
151.11150	15.4
153.12730	2.1
157.10078	2.3
159.11707	5.5
161.13249	12.1
163.11168	7.4
163.14853	2.4
165.12706	2.5
175.14973	1.6
177.12787	4.6
179.14323	100.0
185.13332	2.0
189.11238	2.6
189.12852	4.2
195.13864	3.3
221.15331	3.6
229.10106	1.6
229.60243	1.9
235.16916	6.2
259.20541	6.4
277.21634	63.3
295.22653	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03957	4.1
55.01876	25.6
55.05515	43.6
57.03439	20.1
57.07081	3.4
57.48780	2.7
63.17318	2.5
67.05510	76.3
69.03419	4.6
69.07073	26.7
69.23692	26.3
71.04996	3.7
71.08640	28.1
72.48128	2.4
79.05497	59.8
81.03419	3.1
81.07057	100.0
81.07529	5.8
82.57479	2.6
83.04962	9.2
83.08620	32.4
85.06543	7.3
85.10189	4.0
87.19466	2.7
90.47588	3.1
91.05484	42.4
93.07049	70.6
95.04966	10.5
95.08616	72.9
97.06529	12.8
97.10194	17.9
99.08112	24.3
105.07039	30.8
107.08597	48.2
109.06524	9.4
109.10174	21.4
111.08079	31.9
113.09653	6.4
116.89686	2.7
117.07012	11.1
117.59571	2.8
119.08598	16.9
121.06533	2.6
121.10159	36.4
123.08072	11.9
123.11713	7.5
125.09604	15.2
126.12334	2.5
131.08566	10.3
133.10139	28.8
135.08122	3.8
135.11700	33.1
137.09572	4.4
139.11208	7.8
143.08565	4.5
145.10123	12.8
147.11707	14.0
149.09677	5.7
149.13283	25.4
151.11186	21.9
157.10118	4.1
159.11719	18.1
160.47610	2.4
161.13242	10.1
163.11160	8.7
163.14783	7.0
165.12735	14.0
171.11690	7.4
173.13297	3.2
175.14825	4.2
177.12724	6.4
179.14362	4.7
181.12216	3.9
185.13225	4.3
187.14836	12.0
189.11275	10.4
195.13820	12.5
199.14841	3.9
205.15923	5.9
207.17439	5.1
221.15486	3.9
221.19087	6.0
222.53143	2.4
223.16927	4.3
231.21077	3.5
241.19522	8.8
241.72731	2.6
249.22319	3.7
259.20529	14.9
277.21646	91.7
277.24728	5.1
290.25549	2.8
295.22693	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	295.2268
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03950	4.5
53.33388	1.9
54.47304	2.0
54.78281	2.3
55.01873	45.8
55.05512	31.9
55.40919	2.1
56.96540	2.7
57.03439	4.5
57.07091	11.1
67.05509	44.3
69.03416	3.8
69.07072	26.7
70.11379	8.3
71.04997	6.9
71.08634	43.0
76.41830	2.2
79.05495	37.5
81.03415	10.9
81.07055	55.6
83.04983	17.8
83.08617	22.7
85.06548	3.3
85.10169	10.3
91.05487	29.7
93.07047	45.0
95.04969	10.4
95.08610	46.7
97.06524	18.3
97.10149	6.1
99.08102	35.0
105.07030	25.3
107.04945	6.6
107.08606	26.3
109.06545	7.9
109.10142	14.8
111.08088	49.9
113.09660	13.2
117.07034	7.3
119.08591	19.7
121.10151	20.4
123.08087	3.9
123.11720	6.6
125.09608	4.7
129.07065	4.6
131.08571	8.2
133.10149	23.1
135.08090	3.2
135.11702	15.0
137.06035	2.4
137.13203	2.9
139.11183	4.5
141.10153	2.8
143.08566	3.4
145.10143	8.3
147.11708	11.9
149.09641	5.8
149.13261	7.4
151.11183	31.9
151.48138	2.6
153.12727	5.2
157.10161	4.3
159.11697	5.9
161.13251	20.3
163.11208	12.6
163.14783	4.3
165.12749	16.1
167.14381	2.2
171.11716	7.0
173.13324	5.8
175.11243	5.5
175.14847	3.2
179.14323	14.6
185.13342	6.1
207.13838	3.2
231.20932	3.5
241.19467	7.1
249.22131	6.1
259.20569	10.9
277.21634	100.0
295.22748	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	295.2271
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03942	8.4
55.01884	30.6
55.05271	3.9
55.05519	57.4
57.03451	5.0
57.07075	6.8
67.05514	72.5
67.11639	2.5
69.03437	5.4
69.06782	2.7
69.07082	32.0
70.58275	8.2
71.04996	3.8
71.08646	29.9
79.05503	49.7
81.03417	11.7
81.06585	5.2
81.07066	83.2
83.04999	18.3
83.08631	41.0
85.06555	7.2
85.10217	3.7
91.05483	43.0
93.07058	57.6
95.04967	16.7
95.08616	44.6
97.06541	11.3
97.10191	17.2
99.08108	30.9
105.07042	26.8
107.04993	4.2
107.08607	36.0
109.06510	8.5
109.10175	23.1
111.08102	37.9
113.09654	5.0
117.07024	7.6
119.08591	18.1
121.10168	22.8
123.08118	7.0
123.11712	10.1
125.09661	18.1
129.07008	5.0
131.08582	8.4
133.10146	32.8
135.08043	4.2
135.11697	19.4
137.09702	2.8
139.11182	10.3
143.08626	3.2
145.10123	7.6
147.08089	2.8
147.11716	15.0
149.09656	7.6
149.13269	15.2
151.11201	23.3
153.12793	3.4
157.10135	3.8
159.11729	11.0
161.13272	15.7
163.11192	8.5
165.12798	11.8
171.28374	2.9
173.13304	4.6
175.11212	4.5
175.14792	5.8
177.12651	3.4
179.14337	8.9
189.11215	11.5
193.12233	4.3
195.13797	8.3
207.13860	3.4
221.15341	3.8
231.21085	5.9
241.19553	8.1
249.22237	4.6
259.20642	12.7
277.21652	100.0
295.22775	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	295.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07470	0.5
59.45308	0.4
65.03943	0.5
68.99783	1.0
69.39984	0.5
69.82161	0.5
70.02956	8.3
70.91257	1.1
72.79198	0.6
73.06563	0.8
74.02444	3.1
86.02455	2.7
86.53841	0.5
87.00830	1.9
88.03999	36.2
90.80139	0.6
92.05006	1.0
94.06577	42.9
97.05285	0.5
98.02427	1.0
99.00835	5.5
104.03471	10.6
104.04996	2.0
116.03448	2.7
118.06559	2.0
120.04478	11.1
122.15639	0.5
128.04993	0.8
130.05038	2.5
132.04485	4.8
133.89830	0.6
136.07581	1.1
146.06021	100.0
147.04384	1.3
150.05508	4.0
156.02925	2.9
158.04523	1.5
158.59718	0.5
163.08701	1.4
164.07054	0.8
174.04002	15.7
174.05537	42.4
184.02477	0.6
191.08160	0.5
192.06569	8.3
202.03485	16.8
233.09309	1.0
248.72791	0.5
256.46814	0.6
277.08270	3.8
295.09268	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	294.2067
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
53.03963	0.2
55.01856	0.2
55.05514	0.6
56.40448	0.2
57.03431	0.2
57.07066	0.6
65.03954	0.2
67.05507	1.3
68.05840	0.4
69.07063	0.4
70.78326	0.3
70.78665	0.5
71.08653	0.2
79.05499	1.3
80.05830	0.2
81.07059	2.9
82.07401	0.4
91.05477	0.9
92.05816	0.3
93.07031	0.6
94.04202	1.4
94.09393	0.2
95.04974	0.4
95.08610	0.5
96.05293	0.3
97.06563	0.2
100.07658	0.3
105.07004	0.3
106.07368	0.6
106.18016	0.2
107.04960	0.3
107.08598	0.6
109.06513	0.4
109.10170	0.6
112.69736	0.2
119.08574	0.3
122.03656	5.4
123.08097	0.2
123.11708	1.6
133.10155	0.6
134.10483	0.7
137.05983	100.0
138.06281	0.3
139.11249	0.2
151.11163	0.5
152.11504	0.3
158.15417	1.1
160.12175	0.2
170.15402	2.6
182.30534	0.2
197.49133	0.2
238.11497	0.2
276.20428	1.4
294.21057	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	294.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65134	0.2
55.01862	0.3
55.05497	0.2
57.07072	0.7
65.03924	0.4
67.05509	1.1
68.05827	0.4
69.07055	0.4
70.58547	0.6
71.08631	0.3
79.05479	0.7
80.05838	0.3
81.07056	2.9
82.07388	0.6
83.08619	0.2
91.05457	1.0
92.05802	0.2
93.07025	0.4
94.04184	1.4
95.04958	0.4
95.08609	0.5
96.08941	0.3
97.10158	0.4
105.07018	0.6
106.07300	0.2
107.04950	0.3
107.08585	0.6
108.08923	0.7
109.06507	0.3
109.10146	0.6
110.10478	0.6
114.08150	0.2
119.08566	0.2
120.08906	0.3
122.03654	5.7
123.11710	1.8
133.10120	0.6
134.10417	0.5
134.73273	0.2
137.05978	100.0
138.06313	0.5
151.11177	0.6
152.11494	0.3
158.15422	1.2
170.15398	2.7
184.60397	0.2
220.05235	0.2
276.20493	1.7
277.21600	0.3
294.20972	1.1
298.85092	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	294.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.0
55.05518	6.2
57.03422	2.5
57.07065	1.0
67.05511	24.8
69.03443	0.9
69.07079	4.4
70.06596	52.4
70.43288	1.9
70.43647	1.7
71.04992	2.1
73.24133	0.8
79.05081	0.9
79.05499	13.2
80.49960	0.8
81.03409	2.4
81.07068	18.5
83.04980	1.5
83.08629	2.1
87.04461	2.5
91.05485	5.3
92.05789	0.8
93.07050	7.4
95.04954	2.5
95.08617	47.8
97.06548	1.6
105.07027	6.8
107.07975	1.1
107.08611	14.8
109.06560	5.2
109.09466	1.2
109.10162	16.8
111.08102	0.9
114.05530	4.3
116.07104	100.0
116.86527	0.8
119.08594	6.3
121.10107	1.4
123.08048	3.8
123.11679	1.9
127.50309	0.8
133.10098	3.9
135.11676	2.2
137.09578	1.2
149.13297	5.7
151.11171	1.5
151.14867	10.3
161.13243	4.7
176.14388	4.8
179.14268	2.8
192.13853	3.1
196.13365	18.1
208.16867	2.0
276.12839	0.9
276.15945	1.7
276.20303	2.9
294.17157	3.8
294.20657	30.2
302.13632	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2065
Annotation	Nobilonine
Peak:m/z	Relative Intensity
55.05522	3.2
56.23259	0.6
57.03430	1.4
62.99703	0.5
67.05179	1.0
67.05508	11.6
69.03432	0.7
69.07060	2.3
69.80305	3.0
70.06596	29.0
71.04984	1.1
79.05499	6.3
81.03413	0.9
81.07059	10.0
83.08628	1.0
87.04473	21.6
88.03986	1.6
91.05477	2.1
93.07052	3.3
94.06567	0.9
95.08608	21.7
97.06506	1.2
98.20795	0.6
105.07015	3.1
106.06555	2.1
107.08591	4.2
109.02875	0.6
109.06499	2.1
109.10172	8.0
111.08039	0.6
114.05540	1.5
116.07097	52.1
118.06544	6.0
119.04989	0.8
119.08564	2.5
121.10155	1.6
122.10508	0.6
123.08056	1.2
123.11686	0.9
128.98918	0.5
132.08093	1.3
133.10118	1.2
134.09666	2.7
135.11707	0.6
146.06029	2.5
146.09663	2.3
147.04369	2.3
149.13322	0.6
150.09148	3.2
151.11159	0.5
151.14842	4.7
161.13280	2.2
171.24480	0.5
174.05505	1.2
176.14357	43.1
177.61557	0.6
179.14386	1.3
192.10010	0.6
193.10922	0.7
196.13322	6.7
202.03421	0.7
208.16960	15.6
234.14804	1.0
236.12825	4.2
262.18033	5.2
294.20654	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.3
55.05517	31.3
57.03431	6.4
59.05008	100.0
67.05498	14.3
68.99757	2.5
69.07060	6.9
69.41901	3.8
69.42304	15.7
70.06609	13.0
71.05013	12.4
79.05515	23.4
81.03417	5.9
81.07070	19.0
83.04988	4.2
83.08627	17.1
85.02924	8.9
87.04483	52.1
91.05487	6.9
93.07044	4.9
95.08602	11.1
97.10179	28.2
99.04467	5.6
105.07040	7.5
107.08592	33.9
109.10159	10.8
116.07120	16.8
119.08582	4.1
121.10141	3.5
125.09638	18.8
133.10194	4.1
135.11693	3.0
144.84489	2.7
145.10216	3.2
149.13297	14.8
151.14761	4.5
161.13263	7.1
161.49260	2.3
163.11166	5.1
173.11783	8.8
179.14337	5.1
196.13351	19.1
211.13290	2.7
235.62883	2.6
294.20728	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	293.2475
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
55.01885	1.7
55.05515	8.2
55.36219	1.4
57.07074	5.7
59.97160	1.2
65.03956	2.3
66.47018	1.2
67.05510	91.8
69.03428	1.6
69.07081	10.1
70.68642	3.0
79.05494	15.7
81.07064	100.0
83.08620	4.6
85.06520	3.1
91.05492	5.2
93.07044	11.9
95.08617	76.4
97.06554	3.2
97.10187	2.3
105.07046	4.7
107.08598	7.2
109.10168	36.2
111.04463	1.5
117.07030	1.4
119.08586	3.3
121.10126	7.7
123.08041	2.0
123.11725	25.4
127.17738	1.3
131.08548	4.7
133.10141	4.6
135.11732	5.4
137.09639	2.0
137.13264	11.9
145.10144	3.4
147.11758	2.2
149.09644	3.0
149.13237	3.0
151.11203	2.6
151.14877	3.3
159.11732	4.4
161.13319	2.0
163.14868	2.9
165.12791	1.5
173.13307	5.8
177.12794	1.6
177.16391	4.0
187.14806	3.3
191.10608	1.3
191.14427	2.3
192.40318	1.4
205.15834	2.3
209.11783	3.9
211.16907	1.3
237.11292	8.2
237.18576	1.8
243.21114	7.1
261.22171	10.1
293.10800	1.3
293.21454	1.4
293.24728	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2476
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03942	2.0
55.05517	10.4
57.07073	3.3
65.03928	2.7
66.01391	0.8
67.05510	95.1
69.07073	10.4
69.18826	7.1
70.31781	0.7
71.04987	1.2
71.08622	1.1
73.00359	0.7
79.05501	17.4
81.03445	0.8
81.07063	100.0
83.04990	1.7
83.08624	6.5
84.55016	0.9
85.06547	2.9
85.18341	0.8
91.05482	6.0
93.07052	17.9
95.04971	2.0
95.08614	85.3
97.06529	3.6
97.10197	4.0
97.78866	0.8
99.08112	1.2
105.07033	6.8
107.04993	0.8
107.08606	12.1
109.06507	1.7
109.10166	35.8
111.08087	1.3
111.11750	1.4
117.07018	2.6
119.08597	6.6
121.10153	9.6
123.08090	2.3
123.11726	18.5
125.09661	1.8
131.08559	6.2
133.10143	5.1
134.42831	0.9
135.08055	1.9
135.11693	8.0
137.09627	2.3
137.13268	11.3
141.09148	0.8
145.10153	5.8
147.11690	4.2
149.09645	4.4
149.13269	5.1
151.11188	2.4
151.14838	4.7
155.10657	0.8
159.11673	5.5
161.13223	3.8
161.92758	0.7
163.11133	4.1
163.14851	3.6
165.12772	2.2
165.16444	1.2
173.13280	6.4
175.14764	1.4
177.12730	4.2
177.16391	2.6
179.14355	1.6
187.14859	5.0
191.14354	3.3
195.13829	1.8
195.17177	0.8
201.16397	1.4
205.15878	1.5
209.11832	1.2
209.15321	1.4
219.21049	1.4
223.17023	1.6
233.22844	1.0
234.46933	1.0
237.11293	2.4
237.18657	1.3
239.18063	0.9
243.21091	10.1
244.23636	0.9
257.19019	2.9
261.22165	9.4
275.20126	10.6
293.21225	2.7
293.24704	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03941	4.2
55.01873	13.2
55.05516	18.9
57.03432	2.6
57.07085	2.5
59.04990	1.4
65.03925	1.9
67.05511	40.8
69.07069	20.6
70.14622	4.7
71.04984	3.4
73.73603	1.3
79.05066	2.3
79.05502	36.5
81.03406	4.8
81.07067	61.9
83.04978	5.1
83.08614	13.5
85.06544	2.6
91.05486	26.3
93.07057	28.2
93.75108	1.4
94.11736	1.3
95.04972	13.8
95.08606	27.8
97.06543	13.0
97.10159	6.7
99.08061	1.5
105.07037	31.0
107.04947	9.6
107.08608	37.9
109.06547	15.8
109.10167	14.5
111.08070	3.1
117.07050	6.8
119.08588	24.1
121.06494	6.7
121.10139	15.4
123.08073	6.2
123.11720	5.4
125.09646	8.5
131.08586	13.5
133.06487	1.7
133.10141	23.8
135.08043	6.5
135.11714	8.1
137.09595	4.2
141.06999	2.2
145.10143	14.4
147.07999	1.8
147.11693	15.4
147.59625	1.7
149.09624	15.5
149.13255	4.2
151.11241	7.8
155.08617	2.7
159.11679	11.9
161.09680	2.6
161.13274	5.6
163.11191	9.2
165.09132	4.1
165.12709	4.3
169.10182	1.7
171.11700	3.6
173.09605	1.9
173.13274	4.9
175.11153	2.1
177.12764	5.2
183.11549	1.6
185.13208	1.4
187.11235	3.7
187.14922	1.7
189.11253	5.5
189.12744	1.6
195.13835	1.9
197.13237	2.9
201.12672	1.8
215.14407	1.9
229.19507	5.1
233.18994	1.8
239.17940	5.0
247.20555	5.6
251.19865	1.8
257.19025	12.9
275.20087	100.0
293.21161	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03945	4.1
55.01876	37.7
55.05268	3.0
55.05516	43.1
57.03441	4.7
57.07094	2.6
61.96056	1.8
67.05507	32.4
69.03400	3.2
69.07072	19.6
69.85149	9.9
71.04975	4.9
79.05497	55.8
81.03415	5.6
81.07064	39.6
82.32381	2.0
83.04994	16.6
83.08636	16.4
85.06590	2.4
91.05490	26.1
93.07048	35.7
95.04960	9.8
95.08616	19.7
97.06539	70.2
97.10166	15.2
105.07052	32.1
107.04979	26.7
107.08601	41.3
109.06534	8.3
109.10156	12.2
111.08122	4.0
116.77299	2.1
117.07047	6.8
119.08602	20.4
121.06541	4.9
121.10153	13.9
123.04468	2.3
123.08076	5.1
123.11707	4.9
125.09634	14.3
129.07010	2.9
131.08588	9.0
133.10162	17.2
135.08087	6.8
135.11693	2.4
137.09630	5.2
145.10136	11.1
147.11719	12.6
149.09631	51.9
151.11194	3.6
153.09091	3.7
159.11725	9.7
161.13312	7.6
163.11200	7.1
169.12215	3.3
171.10201	4.7
171.11713	2.4
173.11856	2.9
173.13303	7.1
177.12791	2.5
179.14323	4.6
183.11639	2.8
187.11223	4.9
189.11215	10.4
197.13312	3.5
209.15430	4.5
229.19548	6.7
237.11255	3.8
239.17813	5.0
247.20663	6.7
257.19000	13.9
260.50357	2.3
275.20081	100.0
276.20532	2.4
293.21103	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03952	33.0
55.01871	18.9
55.05523	20.9
59.36806	3.0
63.62030	3.4
67.05510	53.0
69.03403	2.7
69.06716	5.1
69.07072	46.7
69.67507	7.0
69.67927	12.5
71.04974	3.1
77.03957	3.9
79.05490	42.1
80.89792	3.4
81.03423	60.0
81.06587	5.9
81.07060	96.4
83.04967	10.9
83.08619	8.5
91.05486	60.9
93.07049	48.5
95.01327	11.9
95.04961	14.7
95.08057	4.7
95.08615	53.7
97.06526	29.1
100.34624	3.1
103.05492	3.5
104.36145	3.6
105.07040	100.0
107.04964	25.0
107.08584	16.4
109.06522	6.1
109.10168	7.6
111.07354	2.7
111.08061	4.4
117.07011	17.5
119.07784	5.7
119.08585	53.8
121.06519	5.5
121.10153	9.8
123.08067	15.6
129.07062	3.9
131.08568	30.0
133.10136	62.2
135.08078	5.3
135.11725	16.9
141.07013	5.7
143.08527	3.7
145.06512	9.9
145.10159	24.9
147.11655	19.9
149.09613	8.0
149.13239	8.6
151.11145	4.6
159.07974	2.9
159.11707	19.6
161.13249	3.2
163.11194	3.9
165.09088	3.6
169.10110	3.8
171.11682	5.1
177.12772	8.9
179.14349	18.1
183.11755	4.4
187.11197	14.0
197.13316	4.8
205.12177	4.0
223.13329	4.5
239.17944	4.8
239.91298	3.6
247.20587	3.5
257.18927	7.6
275.20074	91.5
293.21045	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03935	6.3
54.38935	1.6
54.99129	1.6
55.01869	8.5
55.05515	17.3
57.02522	1.7
57.03439	4.0
57.07070	2.6
65.03933	2.3
65.58199	1.6
67.05182	2.9
67.05508	39.1
69.03423	1.9
69.07071	16.5
69.36522	6.2
69.36946	7.4
70.20206	1.7
71.04974	2.9
79.05494	43.9
81.03413	4.6
81.07063	99.3
83.04967	4.8
83.08623	12.3
85.06526	3.1
91.05489	34.6
93.07052	29.7
95.04967	10.6
95.08607	26.1
97.06529	11.7
97.10159	3.2
105.07042	39.8
105.07746	1.4
107.04967	10.0
107.08594	24.6
109.06519	22.6
109.10159	15.5
111.08067	6.7
115.05457	2.7
117.07019	9.6
119.07809	2.9
119.08585	30.5
121.06533	4.6
121.10137	17.1
121.12590	1.6
123.08099	8.3
123.11710	4.6
124.33854	1.6
125.09637	4.1
129.06969	2.6
131.08598	13.2
133.06456	2.1
133.10129	27.8
135.08015	6.9
135.11673	7.9
137.09619	7.6
143.08569	3.4
145.10127	11.8
147.08080	1.8
147.11702	18.2
149.09639	11.9
149.13295	3.7
151.11150	8.0
157.10126	4.6
159.11713	10.3
161.09578	2.2
161.13254	4.1
163.11234	10.6
165.09074	2.1
165.12755	4.3
169.10178	2.8
171.11729	3.1
173.13234	5.3
175.11171	4.9
175.14752	2.7
177.12770	3.0
187.11115	2.2
193.12242	3.0
219.17526	11.4
229.19507	3.2
239.17970	3.8
247.20586	7.7
257.18976	11.0
275.20084	100.0
293.21103	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	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.65227	0.7
53.03939	1.5
53.24052	0.7
55.01877	3.3
55.05511	11.6
57.07064	1.9
65.03949	0.9
67.05502	21.4
69.03449	1.2
69.07069	17.2
69.62517	2.0
69.62918	4.4
71.04990	2.6
79.05493	15.5
81.06586	1.8
81.07058	26.4
82.27521	0.8
83.04987	6.1
83.08630	4.6
85.06576	0.8
91.05486	14.1
93.07048	18.6
95.04970	6.4
95.08607	15.3
97.06533	3.3
97.10159	2.1
98.20792	1.5
99.08067	1.0
105.07030	20.3
107.04977	4.5
107.08599	12.4
109.06512	8.5
109.10140	8.5
111.08083	1.5
117.07012	5.0
119.08593	11.6
121.06505	8.0
121.10137	7.1
123.08079	5.3
123.11707	2.5
125.09666	0.9
129.07002	1.4
131.08571	10.9
133.06511	1.6
133.10136	15.0
135.08057	3.7
135.11702	3.8
137.09645	2.2
143.08536	1.9
145.06497	1.3
145.10146	8.3
147.08080	1.4
147.11696	9.7
149.09627	3.1
149.13249	2.6
151.11182	6.6
155.08592	1.1
157.10205	2.0
159.03777	0.8
159.08035	1.0
159.11703	6.0
161.09639	2.0
161.13261	2.5
163.11226	3.8
169.10126	1.1
171.11774	1.9
173.09590	1.9
173.13281	4.1
175.11121	1.8
175.14873	1.3
177.12788	1.8
183.11644	2.2
187.11232	1.2
187.14915	1.2
189.12827	0.9
191.14369	2.6
197.13315	1.0
201.12756	3.2
205.15936	0.9
205.19495	1.0
207.13831	3.0
213.14299	0.8
215.14508	1.6
215.18021	1.5
219.13864	6.8
229.19447	1.4
233.15285	1.4
239.17963	2.6
247.20564	3.2
257.18997	12.8
275.20065	100.0
293.21100	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	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03932	5.3
55.01876	17.9
55.05517	18.4
57.03438	1.3
57.07072	2.0
65.03945	2.1
65.81278	1.1
67.05510	38.8
69.06733	1.6
69.07075	23.8
69.35214	2.4
69.35614	8.6
71.04992	2.8
75.66286	1.2
77.03947	1.4
79.05499	37.9
79.36943	1.0
81.03432	9.6
81.07063	100.0
83.04976	6.2
83.08626	10.8
85.06533	2.5
88.46299	1.2
91.05489	26.0
92.57677	1.4
93.07050	27.5
95.04973	14.0
95.08057	2.2
95.08614	27.0
97.06541	24.4
97.10160	3.2
99.08095	2.1
102.78780	1.3
104.40827	1.1
105.07038	30.0
107.04967	9.6
107.08595	18.3
109.06522	35.2
109.09557	1.2
109.10172	10.8
111.08076	3.8
117.07021	8.2
119.08595	21.6
121.06512	4.7
121.10159	13.8
123.08089	10.0
123.11715	3.9
125.09620	3.3
129.07051	2.0
131.08577	12.8
133.06514	1.9
133.10152	19.8
135.08041	5.6
135.11714	7.4
137.09618	4.8
139.11185	1.3
143.08562	1.8
145.06487	2.6
145.10149	12.8
147.08109	1.5
147.11688	17.7
149.09634	13.9
149.13275	5.6
151.11206	5.7
157.10161	4.7
157.55875	1.2
159.11734	12.3
161.09607	1.2
161.13245	5.9
163.11221	11.3
163.14816	2.2
165.09113	5.0
165.12770	4.8
169.10141	2.2
171.11658	2.7
173.09663	2.2
173.13306	5.4
175.11168	5.4
177.12746	3.3
179.14355	1.5
183.11707	1.4
185.13333	2.2
187.11180	4.4
187.14894	2.4
193.12248	3.4
195.13846	1.4
197.13213	1.6
205.12251	1.5
215.18001	1.7
219.13925	2.0
229.19505	3.3
239.17952	4.3
247.20641	6.9
257.19061	9.9
275.20087	95.9
293.21118	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03934	4.6
55.01669	1.2
55.01874	13.2
55.05511	19.8
57.03439	8.6
65.03934	2.0
67.05505	24.1
69.03423	1.9
69.07062	16.5
70.17690	3.3
71.04983	2.7
71.58884	1.1
72.72875	1.2
79.05496	37.7
81.03405	4.1
81.07062	29.3
83.04962	4.2
83.08613	11.6
85.06569	2.6
91.05488	31.3
93.06482	1.8
93.07050	34.2
95.04964	6.3
95.08607	22.1
97.06531	18.3
97.10172	11.6
101.06018	1.2
103.05488	1.6
105.07037	30.6
105.07755	1.5
107.04986	7.1
107.08600	58.9
109.06537	7.4
109.10143	8.2
111.08032	2.7
114.10382	1.2
117.07030	9.5
119.08583	21.8
121.06487	3.4
121.10148	11.3
123.08064	5.1
123.11687	2.7
124.29719	1.4
125.09643	8.3
125.35356	1.3
129.07025	3.9
131.08568	11.4
133.10136	20.7
135.08028	5.2
135.11734	6.3
137.09630	3.2
143.08542	3.7
145.06502	1.4
145.10118	14.6
147.11700	13.3
149.09642	11.4
149.13275	3.1
151.11195	3.5
157.10126	2.7
159.11681	12.4
161.13200	6.2
163.03935	1.9
163.11160	4.7
165.09166	1.9
169.10106	2.0
171.11644	1.9
173.13268	7.1
175.11208	2.0
175.14905	1.4
177.05478	14.6
177.12784	1.5
178.06253	12.7
181.12222	1.5
183.11652	2.1
185.13260	10.3
187.11205	3.1
188.45674	1.4
189.11214	5.8
191.07028	3.6
191.14281	1.5
197.13152	1.7
201.16432	1.9
203.14291	7.8
205.12234	3.0
219.17453	14.4
221.15375	14.0
229.15878	1.4
229.19516	2.4
233.11699	18.3
239.17949	7.2
244.09695	2.5
247.20624	2.9
250.26657	1.3
257.18982	14.3
275.20062	100.0
293.21066	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.56204	1.0
51.02391	1.1
53.03938	2.5
55.01872	11.7
55.05268	1.7
55.05516	24.0
57.03432	1.4
57.07071	1.3
59.04989	1.8
65.03928	1.9
67.05505	20.9
69.03422	2.5
69.07076	12.9
69.83838	3.7
71.04986	2.3
77.03921	1.2
79.05497	40.6
81.03410	4.3
81.07062	22.4
83.04958	4.7
83.08624	14.3
85.06541	2.3
88.38910	0.9
91.05485	24.6
93.07048	20.8
95.04991	6.2
95.08611	13.9
97.06525	15.1
97.10174	20.8
98.21428	1.2
103.05428	1.1
105.07035	31.0
107.04958	8.4
107.08599	100.0
109.06548	7.2
109.10184	7.4
111.08085	2.7
117.07025	5.5
119.06073	2.5
119.08578	14.3
121.06528	2.0
121.10132	8.1
123.08048	3.5
123.11683	1.9
125.09631	15.6
131.08553	8.7
133.10135	16.5
135.08041	5.7
135.11682	6.2
137.08652	1.1
143.08522	3.2
143.10706	1.5
145.10130	11.8
147.11688	13.7
149.09639	13.1
149.13266	1.2
151.11136	2.8
153.09056	1.4
153.12810	1.4
157.10150	1.5
159.11725	7.9
161.09628	1.1
161.13252	4.5
162.21089	0.9
163.11183	4.2
165.09149	2.2
169.10136	1.3
171.10172	2.7
171.11595	1.9
173.13248	3.9
177.12695	2.9
177.77692	1.0
179.14272	2.2
181.12239	1.7
183.11708	2.4
185.13190	1.3
187.11223	1.9
189.11232	13.9
191.14243	1.2
197.13141	1.3
201.12560	1.1
205.12276	1.4
229.19489	3.3
239.17921	5.2
247.20538	2.8
257.19025	12.5
275.20074	86.5
293.21103	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	293.153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01635	0.7
55.01876	8.8
55.05514	31.6
58.99590	5.8
60.08167	0.7
67.05491	0.6
70.06583	0.6
70.91395	1.2
71.73672	0.8
72.04509	3.3
73.01129	0.9
73.02921	1.9
76.02222	2.3
76.76046	0.6
81.07072	1.6
82.06597	1.5
83.06931	0.7
83.08624	21.7
84.04498	0.8
84.08148	1.5
86.09687	0.7
86.99067	5.5
88.02219	2.1
90.05553	3.4
95.08590	1.1
104.01694	19.9
107.08575	1.0
116.01683	35.1
120.08113	0.6
128.07089	8.0
129.07425	4.4
144.06592	1.9
147.04445	3.8
158.02722	100.0
159.08406	9.1
171.56010	0.6
176.03781	79.1
246.92024	0.6
258.11740	1.1
276.12659	39.0
293.15396	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	292.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04216	0.4
51.43415	0.4
55.01865	1.4
55.05507	1.2
55.93025	0.4
56.96577	0.7
57.03441	3.2
67.05508	1.3
67.95732	0.4
69.03444	4.3
69.07073	1.0
69.92863	0.9
69.93279	1.4
70.06577	0.7
71.04963	0.5
71.39934	0.4
79.05495	2.0
81.07050	1.7
82.06630	0.5
83.04996	0.6
86.06078	3.6
87.04440	0.6
91.05476	1.5
93.07027	1.2
95.04961	0.4
95.08628	0.7
96.53600	0.4
98.06080	0.8
98.09666	0.4
98.20849	0.6
102.43382	0.4
103.05448	0.8
105.07043	12.9
107.08578	0.7
108.04486	0.5
110.06069	0.5
112.07639	0.4
115.05446	1.8
117.07079	0.7
119.08611	0.8
120.08093	1.7
122.06026	0.6
122.09680	0.9
129.07053	0.5
130.06499	0.8
131.00159	0.7
131.08551	0.7
133.06506	9.3
134.06061	0.7
134.09639	0.8
135.08075	0.6
143.07249	0.5
143.08469	0.5
145.10095	0.7
146.05992	0.5
148.07584	4.4
149.01210	0.7
150.09134	1.6
155.08571	0.5
157.08925	0.8
159.06758	0.5
161.09634	0.5
162.09180	2.8
172.11237	2.2
176.07083	1.5
176.10692	0.7
177.07909	0.9
189.09138	1.1
190.08661	0.5
190.12282	6.0
200.10732	6.5
211.09807	0.5
218.11783	100.0
219.12009	0.5
221.74681	0.4
236.12831	10.8
236.15091	0.8
236.88324	0.4
269.10654	0.5
274.14432	3.2
292.12347	1.2
292.15485	2.3
292.19879	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26265	1.4
56.96561	3.0
66.47132	1.2
71.09766	2.8
84.96026	3.2
98.97598	12.2
101.00891	2.2
110.97614	1.6
113.52681	1.4
116.98604	3.0
124.99110	2.0
143.00212	2.4
143.01895	5.7
155.01947	1.7
161.01218	1.8
161.02946	3.4
173.02957	2.3
203.04034	3.3
233.03209	1.6
251.04468	4.5
269.05508	5.5
275.06058	1.5
292.20288	1.5
293.06351	100.0
306.32816	1.4
311.06503	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	292.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01879	0.3
55.05514	9.5
55.17055	0.3
56.05049	0.5
56.72144	0.3
56.96550	0.6
57.03444	0.7
57.91474	0.3
61.02920	1.0
62.54177	0.3
69.03439	2.5
70.06603	0.4
70.95062	0.9
70.95400	0.3
72.08129	0.4
73.02919	0.5
73.34625	0.4
81.03417	0.7
84.08154	2.6
85.02910	6.3
85.06531	1.0
86.09724	0.5
90.05559	1.4
95.04946	0.4
97.02869	1.8
98.97589	1.4
109.02868	0.7
110.97480	0.4
112.02192	1.1
112.07616	26.7
114.16499	0.3
126.14091	0.3
127.03920	1.0
130.03256	0.7
130.08650	100.0
131.06985	0.3
132.95850	1.3
144.95859	0.6
145.04947	0.7
146.01251	0.7
147.04425	0.7
158.99683	0.5
159.09225	0.5
174.96936	0.6
190.96413	0.4
202.10754	0.7
204.97871	0.3
218.07051	0.4
220.11850	1.2
222.98993	0.6
242.06686	0.4
244.36899	0.4
249.07515	0.4
274.03897	0.5
276.07599	1.8
279.63995	0.4
292.04944	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2318
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03940	3.7
54.32013	1.4
55.05516	18.5
59.04986	3.0
67.05179	2.5
67.05506	33.0
69.07071	14.2
69.32755	9.1
69.33170	4.2
73.06540	1.7
79.05499	54.2
79.05959	2.7
81.06589	2.5
81.07059	42.5
83.04984	2.3
83.08617	9.1
85.06554	3.8
91.05484	21.7
93.07047	87.4
95.04980	4.4
95.08611	30.7
97.06547	2.3
97.10155	4.8
102.67973	1.5
103.74253	1.7
105.04502	2.3
105.07043	16.7
107.04948	2.2
107.08595	51.9
109.06495	8.0
109.10157	15.5
111.08099	3.1
111.80645	1.7
117.06996	4.1
119.08588	13.0
121.10146	49.1
123.08106	4.2
123.11719	4.0
125.09649	3.9
129.06944	2.1
131.08542	5.5
133.10147	14.4
135.08043	4.1
135.11699	44.9
143.08556	3.3
145.10124	5.5
147.11687	12.7
149.09654	3.4
149.13254	32.5
157.10097	2.0
159.11703	4.9
161.13284	6.8
163.11174	4.8
163.14865	11.6
165.12709	4.6
171.11722	3.4
173.13191	2.1
175.11188	1.8
175.14857	2.4
177.12737	1.7
185.13199	3.5
189.12692	2.5
203.14265	3.2
203.86180	1.8
209.15347	2.0
217.19547	3.6
231.17390	2.1
235.16933	3.4
241.19527	7.9
249.18507	2.9
259.20596	12.3
267.38733	2.0
291.19620	15.4
291.23154	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2319
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
50.15096	1.5
53.03941	4.8
55.01865	2.1
55.05511	17.7
57.07076	2.7
59.04977	1.7
65.03943	1.6
67.05177	2.6
67.05507	33.6
69.07070	15.8
69.15872	6.0
69.16309	6.9
73.06544	2.4
77.03919	1.4
79.05499	68.4
81.07063	41.1
83.08627	7.3
85.06535	3.6
91.04977	1.9
91.05487	25.8
93.07048	100.0
95.04969	4.7
95.08051	2.4
95.08610	29.6
97.06522	2.7
97.10175	4.0
105.07036	18.3
107.08603	51.7
109.06523	3.6
109.10154	10.2
111.08048	2.0
115.07615	1.5
117.07032	3.3
119.08593	12.6
121.10153	45.6
123.08083	2.0
123.11704	4.0
125.09627	1.5
129.06995	2.1
131.08574	6.0
133.10130	15.0
135.08023	1.9
135.11702	49.0
137.09608	1.8
141.66031	1.3
143.08583	1.4
144.88475	1.5
145.10179	3.9
147.11726	8.2
149.13271	28.7
157.10132	3.1
159.11714	5.8
161.13261	8.0
163.11238	4.2
163.14857	12.4
171.11722	4.2
173.13309	2.8
175.11174	2.0
175.14818	4.5
177.12828	2.2
177.16454	2.0
185.13242	4.4
199.14850	2.3
203.14351	2.6
209.15495	2.1
213.16344	1.5
217.19411	2.1
231.17690	1.5
235.16968	2.5
241.19478	6.6
249.18373	2.8
259.20663	9.5
276.34839	1.2
291.23190	70.8
299.23898	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
51.95640	0.4
53.03938	1.0
55.01872	3.0
55.05517	10.7
57.03424	0.7
65.03923	0.6
67.05179	0.6
67.05508	8.0
69.00558	0.5
69.03426	1.3
69.07072	3.9
71.04972	1.0
71.26718	0.9
75.36089	0.5
76.06205	0.4
79.05498	12.3
81.03419	1.3
81.07059	10.6
83.04974	1.8
83.08621	4.7
85.06519	0.5
91.05486	8.5
93.07047	7.2
95.04968	4.7
95.08603	3.8
97.06535	1.2
97.10185	5.9
105.07034	7.9
107.04951	4.0
107.08611	4.5
108.05713	0.4
109.06509	1.0
109.10144	2.1
111.08090	0.6
115.05454	0.6
117.07047	4.7
119.04933	1.6
119.08589	8.0
120.05714	0.9
121.06544	2.7
121.10139	2.6
123.04491	0.7
123.08118	2.0
123.11712	0.6
125.09647	3.8
128.06245	0.6
129.06999	2.7
130.07750	0.8
131.08583	4.6
133.06503	3.0
133.10167	2.1
134.07253	1.1
135.08075	2.5
135.11682	0.9
137.09639	1.1
143.08563	2.6
143.10625	0.5
145.06500	0.5
145.10136	4.5
147.08078	6.2
147.11688	1.2
148.08847	0.5
149.09631	2.2
151.07552	0.8
157.10135	1.6
159.08089	0.8
159.11694	1.7
161.09595	1.4
162.10429	1.2
163.11159	1.5
165.09125	0.6
171.11667	0.8
175.11211	1.0
185.09608	0.5
185.13281	0.7
187.35002	0.4
189.11266	2.8
223.13208	2.1
227.17924	0.5
245.19063	1.0
249.14929	2.6
255.17432	0.8
256.09296	0.5
261.26416	0.5
273.15494	0.6
273.18491	10.5
291.19559	100.0
292.19861	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
51.02382	0.1
53.03939	0.5
55.01879	1.6
55.05516	6.7
57.03444	0.4
57.07071	0.2
59.04989	0.3
65.03945	0.5
66.04728	0.1
67.05508	3.9
69.03436	1.1
69.07072	2.7
71.05000	0.8
73.02915	0.1
77.03917	0.1
79.05496	5.5
80.06270	0.1
81.03426	0.7
81.07063	5.5
83.04989	1.3
83.08624	3.2
85.02908	0.1
85.06534	0.3
91.05486	5.7
92.06272	0.2
93.03407	0.1
93.07051	5.5
94.04184	0.3
95.04974	2.4
95.08611	2.1
97.02871	0.2
97.06553	0.5
97.10173	3.1
99.53357	0.1
101.06020	0.1
101.09647	0.2
103.05457	0.2
104.06259	0.1
105.03386	0.2
105.04514	0.2
105.07040	5.0
107.04961	2.7
107.05511	0.0
107.08601	3.0
108.05746	0.6
109.06522	0.9
109.10155	1.0
111.04459	0.1
111.08093	0.4
115.05457	0.4
116.06241	0.4
117.07027	2.0
118.04140	0.1
119.04950	1.6
119.08591	4.0
120.05750	0.6
121.06505	1.8
121.10138	1.1
122.54142	0.1
123.04418	0.2
123.08072	1.2
123.11686	0.1
125.09621	1.2
127.07577	0.1
127.40099	0.1
128.06204	0.4
129.07016	1.3
130.07773	0.7
131.04910	0.2
131.08577	2.7
132.05704	0.2
133.06503	3.1
133.10132	1.0
134.07277	0.8
135.08061	1.1
135.11690	0.3
137.09619	0.3
139.03970	0.2
141.06981	0.1
142.07782	0.2
143.08560	1.2
144.09341	0.2
145.06491	0.3
145.09053	0.2
145.10130	2.2
147.08057	3.4
147.11688	0.6
148.08832	0.2
149.09613	0.9
149.13219	0.1
151.07507	0.1
151.11197	0.2
153.09103	0.2
153.12762	0.1
155.08603	0.1
157.10168	0.8
159.08083	0.2
159.11662	0.6
161.09642	0.9
161.13289	0.1
162.10403	1.5
163.11157	0.8
165.09103	0.4
165.12810	0.1
167.08478	0.1
169.12161	0.1
171.11674	0.4
173.09624	0.2
173.13202	0.1
175.11157	0.7
177.12680	0.1
177.76151	0.1
179.10762	0.1
181.10052	0.1
185.13286	0.3
187.11183	0.1
187.13187	0.1
189.09422	0.1
189.11206	0.3
189.12790	0.2
195.11555	0.1
203.14323	0.2
205.12219	0.2
207.13835	0.1
215.24197	0.1
221.11691	0.2
223.13280	1.1
227.17944	0.2
228.80722	0.1
231.17458	0.2
231.42648	0.1
235.13416	0.1
236.14075	0.1
245.19002	0.3
249.14890	2.1
255.17415	0.2
261.14868	0.5
262.15652	0.3
263.16415	0.3
263.20056	0.1
273.18515	3.1
291.19543	100.0
292.19955	0.4
301.13626	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	291.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01667	0.1
55.01876	1.6
55.05511	6.8
57.03420	0.6
57.07068	0.4
59.04994	0.3
64.11425	0.2
65.03954	0.3
65.41949	0.2
66.39064	0.1
67.05504	4.1
69.03426	1.0
69.06730	0.2
69.07073	3.2
71.04992	0.8
71.08623	0.2
76.48696	0.2
79.05494	6.1
81.03400	0.7
81.07056	5.4
83.04985	0.9
83.08617	3.2
85.06507	0.5
89.06007	0.4
91.05479	5.0
93.07043	5.7
94.04169	0.3
95.04970	3.6
95.08605	3.0
97.06537	0.7
97.10172	2.6
99.08095	0.2
103.05443	0.4
105.03371	0.2
105.04512	0.2
105.07036	5.5
107.04946	2.6
107.08601	3.1
108.05716	0.4
109.06516	1.1
109.10175	1.3
111.08064	0.5
115.05467	0.5
115.63511	0.2
116.06229	0.3
117.07014	2.3
119.04955	1.2
119.08581	4.0
120.05735	0.6
121.06496	1.7
121.10132	1.6
123.04415	0.5
123.08067	1.3
123.11692	0.2
125.09640	1.3
128.06157	0.4
129.06996	1.6
130.07767	0.5
131.08566	2.3
132.05685	0.2
133.06509	2.6
133.10139	1.6
134.07266	1.1
135.08078	1.3
135.11684	0.5
137.09608	0.8
139.03902	0.5
143.08604	1.3
145.06503	0.3
145.10132	2.4
147.04358	0.3
147.08046	3.8
147.11722	1.0
148.08867	0.2
149.05913	0.2
149.09653	1.0
149.13283	0.5
151.07555	0.5
153.09016	0.2
157.10138	0.9
159.08116	0.3
159.11722	0.8
161.09636	0.8
161.13229	0.5
162.10378	1.1
163.11188	1.2
165.09068	0.8
169.12195	0.2
171.11699	0.5
173.13329	0.3
175.11201	1.1
176.11870	0.2
181.12222	0.2
182.13052	0.2
185.13184	0.2
187.11240	0.4
189.11215	0.4
189.12741	0.4
199.11064	0.2
203.14360	0.3
223.13300	2.1
227.02155	0.3
231.17505	0.2
245.19014	0.6
249.14828	2.2
255.17429	0.5
259.20587	0.3
261.14792	0.4
262.15674	0.5
263.16434	0.2
273.18506	3.8
291.19543	100.0
292.19855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
50.71421	0.5
53.03947	2.2
55.01880	19.7
55.05520	8.7
57.03446	17.2
57.90681	0.6
65.03953	1.1
67.05511	17.4
67.05872	0.9
69.03432	2.0
69.07079	4.2
69.19331	5.4
71.04988	1.8
77.03885	0.5
79.05502	33.7
81.03421	1.4
81.07066	19.3
83.04990	1.5
83.08620	3.7
85.06559	3.4
91.05491	27.2
93.06470	1.2
93.07053	19.4
95.04962	5.0
95.08616	8.0
97.06541	2.2
97.10172	2.1
98.21609	1.0
99.04456	0.8
103.05497	0.6
105.07043	17.1
106.04159	0.8
107.04975	9.1
107.08605	23.4
109.06529	65.7
109.10168	2.6
111.08057	0.9
113.06007	1.5
115.05463	3.4
116.06256	1.7
117.07040	13.4
119.04955	1.2
119.06079	1.7
119.08586	7.9
121.06521	3.6
121.10154	3.8
123.08065	2.4
125.09648	0.7
128.06242	1.7
129.07019	6.9
131.08586	14.2
132.08020	0.6
133.06512	2.1
133.10158	5.7
135.08066	100.0
135.11662	4.1
137.09647	1.7
141.06966	0.8
142.07794	0.7
143.08565	5.5
145.06500	0.7
145.10127	10.2
147.08104	3.5
147.11691	1.8
149.09631	7.9
149.13258	1.9
155.08626	1.1
157.10146	6.7
158.94458	0.6
159.08095	1.9
159.11687	4.7
161.09615	9.3
161.13246	1.0
163.11218	1.6
169.10135	1.4
171.11761	3.8
173.09673	0.9
173.13263	2.2
175.11211	3.0
177.12730	2.7
181.10117	0.7
183.11720	1.5
185.09669	0.7
185.13255	2.0
187.11177	0.6
189.12814	1.2
189.16368	0.9
191.14357	0.6
195.11720	1.1
195.13890	1.6
199.11217	1.6
199.14819	4.7
201.12816	2.7
209.13322	0.8
213.12737	0.8
217.15903	21.4
219.13795	1.8
227.18027	1.8
237.16359	1.4
242.19304	0.6
245.18959	2.1
255.17490	3.2
273.15451	0.8
273.18512	27.8
291.19565	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1957
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03941	1.3
55.01866	1.6
55.05516	7.9
57.03436	2.3
57.07065	2.3
59.04985	0.9
66.16603	0.7
67.05218	0.8
67.05509	8.2
69.03420	2.8
69.07074	12.1
69.28139	5.7
71.04993	2.1
79.05060	1.2
79.05499	13.1
81.03402	0.8
81.07061	16.2
83.04984	2.4
83.08655	3.8
85.06539	1.9
88.55701	0.7
91.05492	10.3
93.07049	24.0
95.04955	2.6
95.08609	12.7
97.06535	3.3
97.10167	1.8
98.20708	1.4
98.97615	1.3
99.08057	0.7
105.07037	14.0
107.04993	3.9
107.08605	14.2
109.06525	15.7
109.10162	6.4
111.04510	1.0
111.08089	2.5
111.11721	2.4
115.05486	0.7
117.07041	4.2
119.08599	7.8
121.06468	1.9
121.10154	37.6
123.04431	2.2
123.08067	4.6
123.11702	2.1
125.09627	2.9
128.06174	0.7
129.07010	2.4
131.08549	4.6
133.06505	2.2
133.10152	5.8
135.08060	9.5
135.11694	4.0
137.09630	2.3
137.13251	0.9
139.03932	2.0
139.11183	2.3
142.07825	1.3
143.08563	3.3
145.10129	7.1
147.04463	1.1
147.08037	2.5
147.11711	4.2
149.09631	12.8
149.13258	2.0
151.07567	4.3
157.10120	4.8
159.08054	1.5
159.11700	3.3
161.09619	2.5
161.13239	1.9
163.11186	1.4
163.14796	1.2
167.10689	100.0
169.10081	1.0
171.11699	2.0
173.09691	2.1
173.13229	3.6
175.11186	3.8
175.14738	0.8
181.10034	0.7
183.45441	0.8
185.13321	1.6
189.12727	3.1
191.10664	2.9
191.14276	3.3
197.13287	2.2
207.13857	1.8
211.14914	0.8
213.16443	1.6
215.14336	2.2
217.12300	1.1
227.14395	1.1
227.17876	1.2
233.15355	8.6
237.16469	1.0
243.29863	0.8
245.18974	1.2
255.17422	4.4
273.18484	15.3
273.25766	1.6
291.09985	1.0
291.19568	25.3
291.23001	1.1
291.26678	5.2
292.19952	0.7
306.91882	0.7
312.66739	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.66259	2.3
53.03947	6.5
54.01768	2.5
55.01865	7.9
55.05518	53.7
57.03440	3.2
57.07102	2.6
57.74377	2.3
59.04991	2.6
67.05513	52.2
69.03431	4.6
69.07073	29.6
70.80676	3.4
70.81043	5.1
71.05001	5.3
73.18029	2.7
73.49401	2.5
79.05068	5.2
79.05502	71.4
81.07062	74.1
83.05002	5.1
83.08606	18.1
85.06542	4.6
91.05486	86.6
93.07053	77.9
95.04978	9.1
95.08620	45.7
97.06525	4.3
97.10178	14.9
99.08064	3.0
103.05495	4.5
105.04528	3.1
105.07046	73.2
107.04963	6.8
107.08604	36.4
109.06521	9.9
109.10154	10.6
111.08099	11.3
111.11712	2.6
115.05452	6.7
117.07022	41.1
119.04968	2.5
119.08591	38.4
121.06528	11.5
121.10171	23.8
123.08096	13.6
125.09640	6.2
128.06224	13.8
129.07013	21.6
130.07797	8.7
131.08578	97.0
133.06500	8.4
133.10138	23.1
135.08075	8.0
135.11694	13.0
139.11177	8.1
141.07025	7.2
141.09087	3.1
142.07826	4.6
143.08577	71.3
145.10135	100.0
147.08005	12.5
147.11757	8.9
149.09604	6.2
149.13281	4.8
151.07552	19.0
155.08539	7.5
157.10121	21.1
159.08083	5.0
159.11748	20.5
161.09598	13.9
163.11224	4.1
165.12808	2.4
169.10178	7.7
171.11722	16.7
173.09694	2.8
175.11244	8.7
177.12798	4.4
179.10681	2.9
181.10178	8.8
183.11719	9.1
185.13271	6.2
187.11092	3.3
189.12741	7.0
195.11717	12.7
197.11757	3.7
199.14847	2.7
207.13766	15.4
209.13301	3.3
213.12877	4.4
227.17990	6.2
233.15443	5.8
237.16411	12.6
245.19092	6.0
255.17455	11.9
263.20193	6.1
273.18552	54.0
291.19586	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	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
51.07145	1.4
53.03953	1.6
55.01857	1.6
55.05518	6.4
57.07076	2.1
59.05003	2.5
67.05498	6.5
67.96584	1.3
69.03413	3.1
69.07061	2.8
70.97372	2.7
71.05000	2.2
71.67509	1.3
74.56674	1.2
79.05500	13.8
79.39809	1.3
81.07057	9.9
81.20960	1.3
83.04990	2.8
83.08638	7.8
85.06544	2.4
87.43096	1.5
91.05486	6.4
93.07057	14.9
95.04950	6.9
95.08607	18.1
95.61280	1.2
97.06530	6.1
102.01219	1.3
105.07048	11.4
105.95905	1.3
106.15759	1.3
107.04957	15.0
107.08613	9.8
109.06538	9.2
109.10165	2.4
111.04478	1.4
111.08087	40.6
113.09687	2.3
117.07021	3.7
119.08602	10.3
121.06452	1.7
121.10149	9.3
123.08068	29.0
123.11762	1.7
125.09672	2.4
129.07063	1.4
131.08598	7.3
133.06499	3.0
133.10161	11.8
135.08107	6.6
135.11684	3.6
137.09630	1.7
139.03879	2.5
143.08543	2.1
145.10152	8.1
147.08185	2.5
147.11697	4.9
149.09645	7.8
149.13277	1.5
151.07552	100.0
152.54721	1.4
155.10670	3.4
157.10110	5.8
159.08125	3.4
159.11687	2.6
161.09628	3.1
163.11203	4.5
165.09166	1.4
167.10860	1.4
169.10002	1.4
171.11731	4.4
173.09618	1.5
173.13226	8.4
174.10490	1.9
175.11206	6.2
177.09123	2.7
179.10655	4.1
182.10851	1.5
189.12741	25.8
191.14301	14.1
192.11458	4.2
197.11745	18.4
197.13347	3.1
205.12247	1.5
207.13814	62.7
213.16374	1.8
215.14368	3.2
217.12273	4.0
221.15547	1.4
231.17487	2.3
233.15376	50.4
235.13281	2.2
245.18927	1.6
249.18506	2.9
250.05865	1.4
255.17444	2.6
273.18466	13.4
291.19559	84.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
51.58025	1.0
53.03930	1.1
55.01870	1.3
55.05500	4.0
57.03424	1.1
57.07073	2.8
59.04977	2.9
67.05497	4.5
69.03426	2.2
69.07052	1.9
70.69555	3.4
71.04988	3.7
79.05504	5.6
81.07074	5.7
83.04974	2.2
83.08616	3.8
83.73988	1.1
85.06542	2.6
85.56040	0.9
91.05484	7.0
93.07047	10.7
95.04977	5.9
95.08609	14.6
97.06520	4.4
105.07038	10.0
107.04971	5.4
107.08591	8.1
109.06530	5.7
109.10147	4.1
111.08086	26.6
113.09682	1.1
117.07012	3.9
119.08575	12.3
121.06470	2.6
121.10158	6.4
123.08076	33.6
125.09607	1.8
129.06999	1.3
130.07816	1.2
131.08588	8.0
133.06480	2.7
133.10150	8.2
135.08054	7.1
135.11687	3.6
137.09618	5.5
138.16682	1.0
142.07773	2.4
143.08553	3.3
145.10132	17.4
147.08058	4.1
147.11685	7.6
149.09581	4.7
151.07552	100.0
155.10732	2.2
156.09363	2.1
157.10129	4.5
159.08098	1.5
159.11700	4.9
161.09615	4.6
161.13246	2.4
163.11201	2.7
169.10060	1.6
171.11681	4.8
171.13016	1.0
172.12450	1.5
173.13310	7.5
175.11200	4.5
177.09131	2.6
177.12770	2.5
179.10670	4.4
187.11168	4.2
187.14793	1.9
189.12743	29.8
190.13535	1.3
191.14340	8.3
192.11469	2.4
197.11742	15.1
197.13351	2.6
203.14342	2.8
207.13811	65.9
211.14862	1.2
213.16399	2.4
215.14336	8.2
217.12251	3.6
229.16013	1.0
231.17427	2.7
233.15382	22.1
235.13367	2.0
255.17462	3.0
273.18530	11.4
291.19556	59.8
303.76041	1.1
306.18634	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1704
Annotation	CL 22T
Peak:m/z	Relative Intensity
54.03465	0.4
55.01874	0.6
55.73151	0.5
61.63847	0.4
67.05495	0.7
69.07045	0.5
69.79756	1.6
72.04525	19.8
73.02913	0.4
79.05484	0.6
81.03419	0.4
81.07061	1.0
83.04955	0.6
84.04517	1.2
85.02916	0.5
85.04846	0.7
85.17903	0.3
87.01899	0.4
88.04020	0.6
90.47328	0.3
91.05499	0.7
93.07021	0.8
95.04960	0.5
95.08602	1.3
99.00835	0.5
99.04456	0.4
105.07114	0.4
107.08601	0.6
109.10165	0.4
109.11437	0.4
116.03452	0.7
118.06550	9.6
119.08600	0.7
121.06519	0.4
123.04470	0.6
127.03996	0.4
130.06552	1.0
131.08513	0.6
132.08116	4.2
133.08902	1.1
133.10051	0.5
134.09679	0.9
135.11726	0.5
137.06006	1.1
139.03940	0.5
144.08110	4.5
146.09650	3.9
147.04337	0.5
158.09685	1.0
159.10440	0.5
160.11220	0.9
161.06075	0.4
163.07455	0.5
172.11215	1.4
176.14365	77.0
187.08702	0.6
189.10243	1.6
202.15921	30.3
203.11789	1.6
204.12633	0.6
217.08644	0.4
217.13345	1.0
229.17030	4.4
245.08157	0.5
245.16528	11.0
245.19054	0.5
246.14844	1.9
247.18071	24.7
273.15979	8.5
273.18372	0.5
274.14401	32.3
291.17044	100.0
292.17459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02085	1.6
53.03940	4.7
55.01637	2.1
55.01874	29.1
55.05511	12.8
56.05038	2.4
56.87688	1.6
56.96556	5.6
57.03449	10.6
59.04991	7.8
59.42120	1.6
60.04517	3.0
61.02922	11.5
67.05495	5.7
69.03430	27.1
69.07066	12.3
69.89735	7.9
70.06580	4.1
71.04995	78.5
72.08157	6.1
73.02902	6.3
79.05491	7.0
81.03040	1.6
81.03425	16.1
81.07060	9.1
83.04974	3.6
83.08618	41.5
84.04488	6.6
84.08134	7.6
85.02909	81.0
85.06551	4.3
86.06035	3.2
86.09716	3.1
87.04457	7.2
90.05575	2.4
90.50675	1.5
90.94846	1.7
91.03967	3.5
91.05474	5.2
93.07050	11.4
94.91727	2.1
95.04966	12.7
95.08607	5.7
97.02892	24.2
97.06550	3.2
98.21400	2.4
98.97620	10.2
98.98470	4.0
99.04459	5.7
99.08115	1.9
100.07656	1.8
101.06081	2.4
102.09151	3.2
103.03921	2.8
105.03388	3.2
105.07012	2.7
107.04950	4.6
107.08565	3.2
109.02882	8.4
109.06500	2.1
111.04449	3.1
111.08085	73.6
112.02182	4.3
112.07600	1.9
112.11296	2.3
113.05994	2.0
113.09657	3.1
115.05405	1.8
116.98622	4.1
117.06996	2.8
119.04934	3.6
121.10125	2.4
123.04425	12.9
123.08002	2.3
125.05945	2.0
127.03917	21.3
127.07576	1.7
129.04491	3.1
129.05489	23.2
129.09125	100.0
130.03224	1.8
130.06523	6.1
130.08624	4.6
132.04413	2.7
132.95842	6.9
135.08003	3.2
135.11647	2.4
135.38084	1.8
137.05959	5.2
139.03912	25.6
143.04817	2.0
145.04985	13.9
146.06012	2.0
147.04391	12.6
147.11661	2.0
151.07591	2.8
153.09085	3.0
158.06024	4.0
158.99698	1.9
160.07582	2.1
161.05995	4.2
162.11218	3.8
163.03839	2.2
165.05470	3.4
165.09129	2.4
170.05263	1.8
173.01228	2.2
174.96930	2.2
177.00725	3.9
177.05481	3.1
177.09116	1.8
185.07097	3.8
188.07286	2.2
199.08607	2.1
202.96371	2.5
219.01720	2.9
220.09721	3.2
229.15405	5.5
237.02811	2.9
245.09254	4.2
262.98401	2.1
267.87106	2.0
273.08270	2.2
273.12320	4.0
291.01624	2.2
291.09488	6.7
291.13382	16.0
291.16830	3.7
291.19873	3.0
291.23001	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	291.1227
Annotation	10,2'-dihydroxy-4'-methoxy-isoflav-8-ene-7-one
Peak:m/z	Relative Intensity
53.03935	1.4
55.01859	2.5
55.05510	2.4
55.82598	0.8
56.39478	0.8
67.05501	6.2
68.99780	2.9
69.03418	4.1
69.07053	3.3
69.35301	7.1
71.04972	2.3
73.50350	0.8
79.05493	8.7
81.03433	5.8
81.07070	9.2
83.04985	1.8
83.08629	1.5
84.04469	1.5
85.02905	1.6
85.06543	2.4
91.05483	6.9
93.03396	1.2
93.07050	9.9
95.04967	5.0
95.08621	6.3
97.02882	3.1
97.06536	1.9
98.98444	1.7
99.04449	5.8
102.79932	1.0
103.05474	7.2
105.07047	6.7
107.04961	26.1
107.08589	5.0
109.02888	1.8
109.06493	2.7
109.10145	3.1
111.04457	4.8
111.08081	2.2
117.07017	3.6
119.04963	9.6
119.08564	4.4
120.05715	1.4
121.06526	7.1
121.10164	5.3
122.03614	0.9
123.04436	81.9
123.08054	1.7
123.11679	1.3
124.07575	3.1
125.05975	3.4
127.03924	7.7
129.07034	1.6
131.04942	4.3
131.08598	2.4
132.05661	1.4
133.06512	2.6
133.10146	1.2
135.04466	1.6
135.05487	1.8
135.08058	13.2
135.11731	1.9
136.07550	1.9
137.05986	40.9
137.13237	1.2
137.93800	0.9
139.02948	1.0
139.03920	11.6
139.07516	2.8
145.06511	1.0
145.10130	3.8
147.04416	35.3
147.11703	1.5
148.05205	1.7
149.06009	12.6
149.09579	1.0
149.13248	2.0
151.03946	2.1
151.07553	1.2
153.05377	1.4
153.09117	1.0
154.53053	1.0
155.04596	1.1
157.06511	1.0
159.11679	1.6
161.06021	4.4
161.09518	1.0
161.13248	1.4
163.07550	100.0
165.05455	3.1
165.09140	1.6
167.07050	91.4
171.11649	1.4
175.14595	0.9
185.13300	1.0
189.09088	4.4
189.12747	1.2
245.08040	2.2
245.12860	3.4
255.17474	1.0
259.14349	2.2
273.12070	2.8
273.18472	5.0
290.82443	1.1
291.08688	10.7
291.12302	28.8
291.19571	8.0
291.23245	2.6
291.26898	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	291.1228
Annotation	4,5-Dimethoxy-3,3',4'-trihydroxybibenzyl
Peak:m/z	Relative Intensity
53.03942	0.5
55.01874	2.2
55.05499	0.5
57.03437	1.1
65.03947	0.5
67.05494	1.8
68.99799	4.4
69.07063	1.0
69.96885	1.8
70.33564	0.4
79.05497	5.2
81.07060	1.3
81.98568	0.4
83.04978	1.7
85.02876	0.9
91.05479	1.7
93.03432	0.7
93.07049	4.5
95.04984	3.4
95.08595	1.5
97.06522	3.6
98.20793	0.6
99.04466	2.6
101.02335	0.5
103.05475	8.8
105.03387	0.4
105.07034	4.8
107.04961	21.3
109.06525	2.0
111.04444	5.1
111.08084	1.0
117.07036	0.8
120.05695	0.7
121.06516	11.5
123.04435	94.7
124.05257	0.4
125.06006	9.6
127.03932	3.5
131.04933	4.7
132.05759	1.0
133.06506	2.1
135.04468	0.5
135.08060	12.7
137.05984	31.9
138.06770	0.5
139.07541	5.3
147.04364	0.4
148.05191	1.5
149.05991	20.8
151.07501	0.5
161.05992	14.4
163.07550	81.7
164.07910	0.5
165.09106	1.1
167.07047	100.0
174.06795	1.0
189.09105	2.2
258.79013	0.4
273.11249	2.2
291.12296	21.0
291.26910	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1227
Annotation	10,2'-dihydroxy-4'-methoxy-isoflav-8-ene-7-one
Peak:m/z	Relative Intensity
51.02388	0.6
53.03947	1.4
53.11872	0.6
54.20563	0.6
55.01871	2.8
55.05508	2.0
57.03433	1.0
67.05506	2.8
68.99795	2.0
69.07072	1.4
70.06573	0.7
71.53426	1.2
79.05497	6.0
81.07059	4.7
82.06574	1.1
83.04972	2.2
83.08620	1.4
84.04516	2.8
84.08161	0.8
85.02910	1.4
85.04845	1.0
91.05490	2.6
93.07044	6.2
95.04981	3.3
95.08600	3.5
97.06538	1.6
99.04462	3.2
100.11275	2.9
103.05480	7.5
105.07039	5.8
107.04965	25.9
107.08607	2.0
109.10221	0.7
110.06025	1.3
111.04436	5.8
111.08064	1.5
115.05456	1.0
117.06999	1.2
119.04931	0.7
119.08602	0.9
120.05729	0.7
121.06496	6.1
121.10146	1.0
123.04439	82.1
123.11712	1.0
125.06009	3.0
127.03934	4.9
127.05819	0.7
129.06993	1.1
131.04933	4.9
131.08592	1.1
132.05736	1.2
133.06470	1.7
135.04480	0.8
135.05544	0.9
135.08064	14.7
135.11690	0.8
137.05991	33.7
137.09598	1.2
138.09212	0.6
139.03893	2.0
139.07579	4.3
141.11563	1.5
147.04402	1.9
148.05215	3.3
149.05992	14.7
149.09521	0.7
149.13348	0.9
151.07562	1.6
157.08904	0.7
161.06058	3.7
161.09669	1.0
162.11546	0.6
163.07556	99.9
165.09105	1.5
167.07054	100.0
170.15942	0.7
174.06760	1.2
175.07518	0.7
182.15454	1.8
189.09030	3.1
198.19461	0.7
199.18002	0.7
204.66547	1.1
210.14919	2.0
211.23946	0.7
218.66266	1.6
233.15163	0.7
273.11282	1.6
273.18625	1.4
285.67365	0.9
291.09464	1.6
291.12317	22.2
291.19620	1.9
291.23148	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	9.9
62.47068	8.4
70.76158	15.0
70.76478	16.9
74.97604	10.1
76.05122	13.1
84.08133	11.9
85.02918	13.3
92.15965	8.8
96.05545	11.2
97.06495	14.5
98.97582	11.4
110.92396	8.1
111.01479	8.3
114.06638	10.8
116.16648	9.2
131.83154	8.8
137.27570	10.3
143.00156	10.3
175.48204	9.9
193.65758	9.4
204.48434	9.7
273.15494	16.8
291.08243	88.6
291.10580	100.0
291.16721	33.5
299.95142	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	291.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	3.4
56.96565	35.7
60.24601	2.1
61.02926	4.1
67.05486	4.0
69.03430	5.9
69.04552	15.7
69.07073	2.7
70.06586	4.2
70.59163	3.9
70.59511	3.7
72.04532	4.1
76.05122	9.0
80.66516	2.4
83.05001	2.7
84.04500	9.5
84.08160	12.3
84.96020	3.4
85.02921	16.3
85.03352	2.4
85.06554	17.2
91.05473	2.5
91.16482	3.0
93.08736	2.6
96.05628	4.8
97.02912	5.9
97.06533	10.7
98.97589	100.0
101.00868	2.8
101.50593	2.2
102.09197	7.1
109.02856	2.9
110.96938	2.6
110.97569	15.0
110.98282	2.1
112.99152	3.4
113.72176	2.4
114.06650	8.1
116.98628	24.1
121.01646	2.6
123.04487	3.7
124.99139	11.6
127.03951	7.8
128.98619	9.7
129.05550	4.2
129.06606	8.5
130.04999	3.2
130.08647	3.6
131.00186	3.2
134.99594	2.6
137.05968	3.2
139.03896	12.6
143.00180	17.2
143.01932	3.5
145.01688	2.8
147.04460	4.7
147.05687	2.8
152.98561	5.7
158.99667	25.3
159.72267	2.3
161.01231	8.3
161.02980	4.0
162.11238	18.3
170.99702	11.8
171.03291	3.4
172.10812	4.4
173.01276	3.5
177.00772	13.7
185.06636	3.3
189.00700	6.9
189.02345	4.0
189.04317	4.3
213.00664	4.6
219.01730	15.4
231.01816	8.6
237.02850	16.3
237.16000	2.5
248.99310	3.9
249.02866	6.9
267.00223	3.6
267.03918	4.3
273.15573	10.9
282.08234	2.4
291.03882	9.5
291.08347	48.0
291.16653	25.5
309.04907	10.9
309.08594	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	291.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09577	1.6
56.96571	99.8
71.51212	3.2
71.95255	3.2
73.71777	1.7
82.99834	1.7
84.96042	13.6
85.74533	1.8
90.33866	1.6
98.97588	100.0
101.00909	8.4
106.98043	2.3
108.99643	2.3
110.97549	2.4
112.99136	4.5
114.43449	1.9
115.00713	3.6
115.02408	3.4
116.98633	35.6
117.60184	1.7
119.01902	9.4
124.99123	70.9
127.00676	5.7
128.98607	2.5
131.00130	3.9
133.03456	3.6
134.99652	5.9
139.00633	3.2
140.00204	1.8
141.02255	8.8
143.00179	79.3
143.01923	7.2
144.98022	2.1
148.43352	1.6
151.00670	6.5
152.98607	24.2
157.03467	3.4
158.99628	2.8
159.03252	4.1
161.01221	28.6
161.02939	11.9
167.00180	10.6
168.98129	4.1
169.01764	12.0
170.99673	54.0
173.01230	6.9
175.04514	4.4
185.01225	39.3
186.99110	6.4
187.02771	6.5
189.00728	32.1
189.02341	2.9
191.02356	2.2
194.99644	6.5
201.00653	2.1
201.02440	4.9
203.02284	23.3
205.00195	11.0
207.01796	3.3
211.02690	2.3
212.98759	2.6
213.00700	32.1
219.03734	7.9
223.01239	4.9
229.00279	3.3
230.98149	3.1
231.01764	47.0
245.03319	5.6
247.01302	6.9
248.99055	3.2
249.02803	44.7
249.05127	2.9
254.93498	1.7
263.04303	3.8
267.00284	4.8
267.03870	27.1
273.02728	14.5
285.04892	11.7
291.03851	87.1
309.04935	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	290.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.9
56.96573	0.5
57.03430	0.6
57.07072	1.5
59.04995	0.9
59.70693	0.4
67.05502	0.9
69.07075	5.0
70.06599	2.2
70.72005	1.1
70.72340	0.6
73.06557	2.6
79.05502	1.0
81.03410	0.9
81.07044	1.9
84.04511	6.2
85.02914	1.4
87.00851	0.5
88.07625	2.5
91.05470	0.7
93.07047	1.4
95.08615	1.2
96.08990	0.5
97.06551	0.4
103.03933	1.1
105.07005	0.7
106.08657	0.8
107.08575	0.7
109.10152	1.0
114.09167	0.8
118.06552	11.4
118.60718	0.4
119.04937	0.4
119.07343	0.8
119.08582	0.9
121.10114	0.7
123.04432	1.6
124.04745	0.6
125.14673	0.6
126.05539	1.1
126.09155	0.6
127.03931	0.9
129.01811	0.5
131.08542	0.4
132.08086	4.0
132.10204	2.6
133.08878	2.1
133.10059	0.6
134.09636	0.6
138.06342	0.8
146.09610	3.9
147.04483	0.6
147.10487	0.6
150.11281	2.2
153.05487	0.7
159.35025	0.4
168.06508	0.8
176.14360	66.3
216.13672	0.4
246.24323	0.8
248.05136	0.5
268.11310	0.4
290.06256	4.1
290.21173	100.0
290.26459	12.7
291.21771	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2114
Annotation	Dyclonine
Peak:m/z	Relative Intensity
55.01861	1.0
55.05517	0.6
57.03434	0.3
57.07079	2.3
59.04996	0.4
66.48981	0.3
67.05494	0.7
69.03419	0.3
69.07071	2.7
70.06597	4.1
71.08624	0.7
73.02917	2.1
73.06552	1.3
79.05484	0.6
81.07066	0.7
84.04507	4.6
85.02893	1.2
85.10172	0.4
87.00835	0.3
88.07636	4.4
91.05460	0.5
93.07055	0.8
94.07395	0.3
95.04960	0.6
95.08607	0.7
97.06496	0.3
98.97588	0.5
101.06008	0.4
102.09149	0.4
103.03946	1.0
105.07037	0.6
106.07390	0.3
106.08674	0.8
109.10158	0.4
114.09179	1.5
118.06544	8.7
118.08647	0.3
119.08526	0.4
121.36427	0.3
123.04457	0.4
126.05536	1.1
127.03975	0.5
129.01866	0.3
131.08391	0.3
132.08093	3.0
132.10210	6.9
133.08882	1.2
134.09665	0.7
135.08072	0.5
135.77130	0.3
142.85069	0.3
146.09666	2.7
147.10406	0.4
148.11208	0.3
150.11267	5.1
150.24471	0.3
158.08215	0.3
159.28510	0.3
160.11172	0.3
166.88123	0.3
176.14359	39.0
202.15974	0.6
204.08760	0.3
214.21800	0.3
228.23149	0.5
229.23459	0.3
232.13388	0.8
234.79187	0.3
246.14915	0.9
246.24376	1.2
247.15685	0.4
260.16522	0.6
263.04532	0.3
272.13364	0.3
290.08713	1.0
290.21179	100.0
290.26764	31.2
291.21652	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.3
55.01862	5.4
55.05307	4.2
55.05520	42.6
57.03444	6.1
57.07072	15.4
59.05003	5.6
65.03932	7.4
67.05499	49.8
69.03415	9.3
69.07075	63.6
69.91608	16.7
69.92024	7.3
71.04987	14.2
71.08642	5.0
79.05499	31.3
79.52235	4.4
81.03419	10.8
81.07063	74.3
83.04992	7.2
83.08630	38.3
84.04501	6.2
85.02897	16.2
85.06547	7.8
91.05492	28.4
93.03410	11.8
93.07042	49.9
95.04968	14.3
95.08607	59.0
97.02868	5.0
97.06528	11.5
97.10204	31.8
99.04404	5.4
99.08079	5.7
105.07036	34.9
106.40501	4.4
107.04951	17.0
107.08576	30.6
109.06496	9.4
109.10174	33.7
111.04443	25.0
111.08095	5.3
111.11700	10.1
117.07057	5.4
119.08585	34.3
120.27641	4.2
121.06531	10.6
121.10149	39.6
122.79393	4.0
123.04431	51.6
123.11723	26.7
125.09657	7.2
127.03922	94.4
129.06995	6.2
131.08553	14.1
133.10141	25.2
135.04413	93.2
135.11661	22.1
137.05981	12.4
137.09622	5.2
137.13228	9.2
139.03902	58.5
139.11131	7.3
143.08650	4.5
145.10133	14.1
147.11722	25.8
149.02324	13.2
149.06024	7.2
149.13277	10.9
151.03912	19.8
151.11203	7.4
153.05487	7.4
156.11385	4.8
157.10118	8.1
159.11696	10.2
161.05991	100.0
161.13231	16.2
163.03880	18.0
163.14821	5.6
164.07108	10.0
171.13887	5.2
173.09615	8.1
175.14877	12.6
179.03319	5.4
187.14822	4.4
189.16365	9.1
190.65660	4.5
193.19469	4.8
201.16583	5.6
203.17824	5.4
214.41805	4.2
215.06972	5.8
217.19540	23.8
225.34648	4.6
235.20581	20.9
253.21571	14.0
257.16080	12.9
259.06049	9.0
261.07666	8.5
271.06143	6.7
271.09680	16.5
271.14310	8.1
271.17014	9.3
271.24152	12.7
285.12534	5.0
289.05960	40.6
289.10645	19.1
289.14960	17.7
289.18176	27.5
289.24850	30.3
312.85083	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	289.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
55.01863	4.7
55.05515	36.9
56.96544	4.2
57.03440	3.8
57.07066	14.7
57.50368	3.0
59.70374	3.4
65.03929	10.1
66.22683	3.3
67.05511	34.8
69.03426	5.5
69.07072	62.1
69.52788	9.5
69.53195	11.9
71.04974	7.4
71.08604	4.0
72.08138	4.5
79.05488	18.8
81.03420	7.7
81.07063	65.3
83.04987	5.1
83.08624	31.5
85.02905	12.1
85.06545	5.9
89.03909	3.9
91.05506	21.1
93.03387	12.6
93.07040	29.3
95.04971	13.1
95.05534	3.3
95.08614	53.8
97.02895	5.3
97.06525	5.6
97.10172	33.4
98.20770	6.9
99.04456	5.2
99.08083	5.3
103.05491	4.2
105.07043	23.9
107.04961	8.5
107.08601	25.3
109.02879	3.3
109.06517	7.2
109.10161	35.2
111.04446	26.9
111.08068	5.2
111.11697	16.1
113.09663	4.9
117.06982	4.6
119.08581	24.3
120.08092	11.0
121.06445	3.8
121.10155	31.6
123.04427	54.5
123.11714	8.9
124.07584	5.2
125.09634	7.7
125.13224	3.5
127.03919	52.7
131.08549	10.2
133.10141	28.4
135.04430	100.0
135.08046	7.2
135.11731	20.0
136.07553	3.8
137.02290	4.9
137.05959	8.3
137.09663	7.3
137.13240	7.4
139.03902	49.3
139.11209	5.4
145.10126	11.1
146.06029	7.1
147.08046	7.0
147.11694	16.3
148.07588	6.8
149.02344	13.2
149.05980	6.8
149.13258	10.7
151.03926	21.7
151.11162	7.6
151.14876	4.3
153.01865	5.4
153.12753	4.0
155.10681	3.2
159.08006	4.3
159.11697	7.9
161.05986	47.9
161.13303	18.1
163.03911	22.5
164.07066	60.7
165.09207	3.7
165.12758	6.6
173.09607	4.0
173.13338	5.7
175.14835	6.9
187.07541	4.3
187.14783	4.0
191.17874	3.5
201.16653	6.5
215.18007	6.4
217.19501	25.9
231.06413	6.1
235.20621	23.1
243.06367	4.2
253.21573	20.2
257.16074	4.5
259.05997	8.9
261.07343	5.7
271.06049	5.8
271.09781	6.2
271.14325	17.3
271.17020	5.8
271.24231	5.9
289.06018	38.6
289.10812	6.3
289.15396	48.6
289.18219	11.8
289.25360	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	289.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.05517	14.4
59.04995	1.4
59.11158	0.7
65.03955	0.8
65.44881	0.6
65.67933	0.6
67.05170	1.1
67.05508	13.5
69.03413	0.7
69.07073	9.6
70.68771	1.7
71.05026	0.7
73.06544	2.1
79.05068	0.9
79.05501	12.7
81.07060	16.9
83.04984	1.1
83.08618	5.1
85.06551	3.5
87.08093	0.9
91.05486	38.7
93.07044	13.5
95.04979	1.0
95.08611	11.0
97.06548	1.8
97.10162	1.6
98.27060	0.6
98.63879	0.8
99.08109	1.0
101.26885	0.7
103.05466	1.5
105.07037	57.5
107.08595	8.7
109.06528	1.4
109.10165	4.8
111.08067	1.3
115.05435	1.2
115.07571	1.1
117.07026	9.8
119.08585	43.1
121.10150	5.9
123.08065	0.9
123.11674	0.8
125.09607	1.5
127.03911	1.6
129.06999	2.8
130.07762	1.0
131.08575	17.1
132.09296	0.9
133.10136	43.3
135.08038	1.4
135.11696	1.9
137.09631	0.8
141.06982	1.5
143.08563	2.8
145.10135	12.8
146.10837	0.8
147.11688	22.1
147.12807	1.4
149.09575	1.3
149.13292	1.2
155.08542	1.9
157.10081	4.1
159.08090	1.1
159.11714	13.2
161.09627	1.2
161.13272	9.7
163.11232	1.5
169.10114	1.9
171.11688	4.3
173.13264	10.3
175.11160	1.3
175.14851	2.2
183.11710	3.9
185.13220	1.5
187.11139	1.3
187.14857	1.1
197.13348	3.3
201.12842	2.3
207.13824	1.0
207.36699	0.7
211.14879	0.8
213.16458	2.3
215.14342	1.5
215.17937	3.5
229.15894	1.0
229.19511	1.8
234.67647	0.8
239.17953	7.3
257.19028	11.4
262.07959	0.7
275.55820	0.6
289.21631	100.0
290.22061	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2163
Annotation	Pipataline
Peak:m/z	Relative Intensity
53.03942	1.9
55.05513	17.6
57.07056	1.6
59.04988	1.2
67.05510	12.4
69.03413	1.0
69.07082	9.5
69.75787	4.8
73.06535	1.1
78.76278	0.8
79.05499	12.2
80.76831	0.8
81.07060	16.4
83.04964	0.9
83.08218	0.8
83.08636	6.2
85.06546	1.9
85.24106	0.8
87.04469	0.8
91.05486	41.8
93.07047	13.4
95.04961	1.0
95.08615	10.5
97.10164	4.9
103.05499	1.0
105.07037	73.0
107.08598	7.7
109.10152	3.4
115.05445	1.1
117.07016	9.6
119.08579	32.1
121.10139	3.2
123.08038	1.8
125.09657	4.1
129.06993	2.5
131.08572	16.6
133.10136	45.7
135.11705	2.6
143.08578	3.7
145.10135	30.9
145.11293	1.6
147.11699	36.1
149.09613	1.4
155.08495	2.4
157.10132	3.2
159.11705	10.8
161.09669	1.0
161.13229	4.4
169.10127	2.5
171.11702	7.2
173.13293	5.9
174.65520	0.9
175.11150	2.0
183.11678	3.3
185.13252	1.3
187.14743	1.1
197.13281	4.0
201.12807	1.6
211.14789	1.2
213.16295	1.2
215.17955	1.9
229.15852	1.4
239.17953	9.5
257.19025	30.1
289.21622	100.0
290.21881	1.0
293.17642	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2163
Annotation	Pipataline
Peak:m/z	Relative Intensity
50.52953	0.4
51.02372	0.5
53.03942	1.2
54.56236	0.4
55.01863	0.7
55.05513	12.5
57.07062	1.4
59.04984	1.0
65.03930	0.9
67.05511	14.6
69.03439	0.5
69.06732	0.8
69.07072	11.2
70.22614	1.3
71.04998	1.1
73.06570	2.1
75.41767	0.4
77.03907	0.5
79.05499	12.6
79.26620	0.5
81.07061	17.0
83.04982	1.3
83.08618	5.0
85.06560	3.9
87.04431	0.5
87.08117	0.9
91.05487	39.1
93.06483	0.8
93.07050	13.9
95.04967	1.2
95.08614	13.3
97.06560	2.3
97.10163	1.2
99.08066	1.0
103.05461	2.1
103.70957	0.4
104.06244	0.6
105.07037	54.7
107.08595	8.8
109.06526	1.3
109.10175	4.7
111.08070	0.8
115.05479	1.1
115.07574	1.0
117.07021	9.7
118.07792	1.1
119.08587	43.0
121.10147	5.7
123.08044	1.2
123.11701	1.0
127.03905	2.3
128.06262	0.8
129.07016	2.7
130.07784	0.9
131.08578	16.3
133.03462	1.1
133.10136	38.7
135.04427	1.3
135.08035	1.5
135.11716	2.5
137.09708	0.6
141.06984	1.5
143.08585	2.8
143.09543	0.5
144.09326	0.6
145.10130	15.0
146.10826	0.5
147.08022	1.3
147.11700	21.1
149.09619	1.7
149.13249	1.2
155.08591	2.4
157.10147	4.2
159.08060	0.5
159.11699	13.7
160.12488	0.7
161.02983	0.5
161.09601	1.2
161.13257	10.7
163.11189	0.7
169.10126	2.6
171.11710	4.6
173.09639	0.9
173.13274	11.3
175.11214	1.7
175.14836	1.9
183.11703	3.2
185.13287	1.1
187.11206	2.2
187.14812	1.6
189.12801	0.7
193.12231	0.5
197.13263	3.6
201.12769	2.1
201.16389	0.6
203.45439	0.4
211.14845	1.2
213.16377	1.4
215.14337	1.4
215.17967	3.6
229.15695	1.0
229.19545	1.3
233.15508	0.6
239.17923	6.5
247.17053	0.6
257.19028	10.3
289.21628	100.0
290.08148	1.6
290.22083	0.9
300.14511	0.5
302.29956	0.5
310.94604	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91448	0.9
53.03935	2.1
55.01864	4.6
55.05516	33.3
56.96551	1.8
57.03442	23.7
57.07075	2.5
59.05000	1.2
61.30539	1.1
63.09792	0.9
65.03948	2.8
67.05508	47.0
68.99811	1.1
69.03425	1.9
69.07071	29.1
70.06581	1.1
71.04993	19.5
71.53537	1.3
73.29023	1.0
74.72879	1.3
78.72301	0.9
79.05496	20.4
81.03432	2.2
81.07061	83.8
83.04992	5.6
83.08627	16.5
84.04491	4.2
85.02912	2.1
85.06550	14.6
91.05485	18.6
93.07052	26.0
95.04956	2.0
95.08612	100.0
95.92401	1.1
97.02930	1.6
97.06534	21.6
97.10178	7.0
99.08111	7.6
105.07031	18.9
107.04961	2.9
107.08592	12.6
109.06532	3.7
109.10160	15.7
111.04438	2.0
111.08096	4.7
113.09643	2.3
116.07070	1.6
117.07026	2.0
119.08587	26.6
121.02862	2.2
121.10129	6.6
123.04434	10.8
123.08043	6.0
123.11718	1.9
125.09689	1.2
126.05540	1.6
127.03925	7.7
127.07521	1.7
129.05493	1.6
130.06532	1.3
131.08609	2.0
133.10144	20.3
135.04424	10.5
135.08005	1.1
135.11687	11.0
137.05965	1.4
137.09607	4.2
137.13271	8.1
138.09135	2.2
138.28769	1.0
139.03917	4.5
147.04480	1.4
147.11699	1.5
149.02382	1.3
149.13268	3.3
151.03891	2.6
151.11197	1.1
151.14821	1.4
153.01845	2.6
154.02162	1.5
155.02344	2.5
156.11290	1.9
159.11716	1.6
161.13266	44.5
161.14626	2.2
163.03891	1.9
164.07039	1.8
179.14308	33.4
197.15375	11.4
199.69496	1.4
208.12227	1.4
215.16502	1.7
253.18005	4.6
257.16125	2.4
265.13968	2.4
271.19119	39.1
274.14075	1.2
280.14417	1.3
289.06064	57.7
289.14728	7.2
289.20096	74.1
289.25339	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	289.1801
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
53.03942	1.9
54.01813	1.0
55.01883	7.6
55.05518	40.8
55.96154	1.2
56.96574	1.5
57.03432	5.1
65.03981	1.3
67.05180	2.0
67.05512	22.7
69.03428	1.8
69.07078	9.9
70.06595	1.7
71.04981	1.6
71.53688	2.0
79.05066	2.3
79.05501	29.5
81.07063	21.6
82.29630	1.1
83.04961	3.8
83.08629	13.6
85.02898	2.2
85.06546	1.6
86.02993	1.0
88.07630	5.9
89.07961	1.7
91.05490	19.4
93.07050	13.5
95.04978	2.4
95.08616	6.8
97.10185	20.2
103.05502	1.5
105.07043	11.7
106.08683	8.2
107.05000	2.0
107.08554	16.0
109.06509	3.3
109.10154	7.5
111.04467	1.1
111.08089	2.6
115.05474	11.3
117.07031	73.1
119.08580	16.2
121.06549	1.5
121.10149	2.6
123.04435	2.5
123.08041	1.5
125.09640	16.2
127.03939	10.8
128.06247	1.9
129.07018	5.3
131.08549	9.6
133.10117	6.6
135.04440	3.4
135.08093	7.3
136.17178	1.2
139.03946	1.9
141.06993	3.2
142.07762	1.5
143.08580	11.6
145.06491	68.6
145.10132	7.6
147.08044	2.0
147.11694	3.4
153.09090	2.4
155.08554	2.9
157.10150	11.5
159.08060	4.1
159.11700	3.7
161.09592	3.2
161.13303	2.3
163.03925	1.8
169.10144	5.2
171.10214	2.0
171.11644	2.5
173.09616	2.7
177.09140	1.3
183.11717	4.9
185.09644	1.6
185.13197	1.9
187.11066	1.6
189.11281	9.8
191.10725	1.5
215.14326	2.1
225.16420	7.1
235.14960	3.5
236.26483	1.3
243.17392	7.1
253.15929	6.8
271.16956	100.0
289.06149	2.2
289.18024	15.4
289.21640	12.4
289.25296	2.1
289.29361	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	289.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01873	0.8
55.05500	1.4
65.03954	0.5
66.69324	0.4
67.01858	1.1
67.05510	2.5
68.99783	1.4
69.03415	0.8
69.07056	1.8
69.75709	1.6
69.76128	0.9
71.04972	1.3
71.08574	0.4
79.05497	3.4
81.03440	0.5
81.07059	6.6
83.04974	1.7
83.08608	0.5
84.04481	0.4
85.02902	0.9
85.06542	1.2
88.07627	0.4
89.03941	0.7
91.05469	3.0
93.03426	0.4
93.07054	8.0
95.04979	2.5
95.08595	3.2
97.06548	4.3
97.86226	0.5
98.21549	0.5
99.04485	2.3
101.06020	0.4
105.07037	4.7
106.47612	0.4
106.83105	0.4
107.04945	1.6
107.08613	3.9
109.06512	4.4
109.10130	1.2
111.04444	1.3
111.08092	2.1
113.05975	0.8
117.03313	0.6
119.04946	0.9
119.06198	0.4
119.08582	3.0
120.08213	0.4
121.02829	0.6
121.06512	11.8
121.10152	1.3
123.04449	6.2
123.08065	1.1
123.11679	0.9
124.07568	0.7
125.05989	1.3
126.05503	0.4
127.03923	3.5
127.07536	1.4
129.06990	0.5
131.08589	0.8
132.08029	0.4
133.06526	0.5
133.10149	3.0
135.04431	5.7
135.08087	2.2
136.04774	0.7
137.02382	0.9
137.04999	0.7
137.05930	0.9
139.02931	0.6
139.03918	2.4
139.07567	3.1
141.05515	0.5
142.07794	0.6
143.07001	1.0
143.08519	0.8
145.02835	1.1
145.10143	0.9
147.04424	0.5
147.11691	6.6
149.02338	0.7
149.13266	0.5
151.03867	1.0
151.11156	0.9
153.01840	10.1
153.05470	1.0
154.02156	1.8
155.02312	4.4
155.08530	0.6
156.11324	0.6
157.08607	2.2
157.10121	2.4
159.06544	0.7
161.02319	0.7
161.05968	0.5
161.13272	2.0
162.02736	0.4
163.03922	3.3
165.12788	3.0
169.12247	1.4
171.02904	1.2
171.11676	2.4
175.11194	5.7
179.07043	1.8
180.03711	0.5
181.10123	0.6
185.05884	0.5
189.12682	2.8
193.12283	4.9
199.11142	3.6
207.13867	3.5
209.15390	0.4
211.13321	4.9
217.12239	14.7
229.14302	1.1
235.10922	0.8
235.13298	13.0
241.04735	0.5
243.05553	0.5
253.14340	9.2
257.16144	0.4
271.05222	0.6
271.10876	0.9
289.06061	100.0
289.18365	1.3
290.06366	0.5
290.96265	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1548
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
53.03943	0.6
53.37391	0.4
55.01880	0.5
55.05510	1.6
57.03435	0.6
57.07073	0.9
58.88118	0.3
65.03951	0.4
67.05497	1.9
69.03419	1.1
69.07074	2.1
69.39792	2.6
71.04986	0.4
76.23232	0.4
79.05486	2.7
79.56519	0.4
80.05021	0.6
81.03407	0.5
81.07059	5.1
83.04984	0.4
83.08643	0.9
84.04471	0.4
85.02895	1.1
91.05482	5.6
93.07037	3.7
94.06571	0.9
95.04982	1.6
95.08608	4.0
96.08153	1.9
97.02908	0.4
97.10181	0.7
98.21515	0.7
98.97527	0.4
99.04432	0.9
103.03925	0.4
103.05514	0.6
104.04999	0.7
105.07040	2.8
106.05882	0.4
106.06540	2.6
107.04944	0.5
107.08567	2.0
108.04495	0.4
108.08127	0.9
109.06513	0.6
109.10155	2.1
111.04478	0.5
111.08115	0.4
111.11730	0.6
116.04995	0.6
117.05766	1.4
117.07040	0.8
118.06554	4.8
119.07310	1.0
119.08573	1.2
120.08116	13.9
121.06511	0.8
121.10166	1.3
122.06041	0.4
122.09675	1.3
123.04427	4.3
123.11722	1.1
124.07600	10.8
126.09169	1.2
127.03925	4.1
131.08589	0.9
133.06502	1.2
133.10135	1.6
134.06015	6.1
135.04422	0.9
135.06786	0.5
135.08070	0.6
135.11710	1.1
136.07576	6.2
137.05981	1.5
138.05492	1.9
138.09143	0.8
139.03912	2.1
143.08543	0.6
145.10153	1.3
146.06001	6.6
147.04480	0.6
147.06802	2.5
147.11681	1.3
148.07585	11.5
149.05991	0.7
149.13254	1.1
150.09145	1.2
152.07095	1.0
153.01839	0.8
153.05510	1.9
159.08017	0.8
159.11687	1.3
160.40430	0.4
161.05991	2.9
161.13278	1.1
163.11229	0.4
163.14850	0.7
164.07077	100.0
165.07697	1.4
166.08652	3.0
173.13348	0.5
179.06978	0.6
187.14877	0.5
189.16431	1.3
198.12825	0.5
200.10794	0.4
200.14389	0.6
201.16530	0.5
203.18010	0.5
214.10980	0.8
215.15553	1.8
215.17770	0.4
216.10260	2.4
225.13974	0.5
228.10245	0.5
229.13399	0.8
243.14952	6.3
245.16486	2.8
253.13387	1.0
254.11815	1.2
271.14426	23.4
271.16852	0.9
271.24115	1.8
289.06281	1.7
289.15466	83.6
289.24963	4.7
290.15878	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0918
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03945	0.5
55.01852	0.2
57.03432	0.3
59.04983	0.2
61.02937	1.0
69.03433	1.5
70.42782	0.6
71.04996	0.2
73.02922	0.3
81.03412	0.7
81.04511	0.3
81.07036	0.3
85.02910	4.4
95.06086	0.4
97.02910	1.3
97.06521	0.3
99.04444	0.2
109.02883	0.9
111.05573	0.8
118.26994	0.2
123.05558	0.7
127.03922	100.0
128.04228	0.3
139.03902	0.3
141.06602	1.3
145.04964	0.8
238.08981	0.2
239.13957	0.4
255.96664	0.2
271.16489	1.3
289.12387	0.4
289.17526	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.107
Annotation	Conferol A
Peak:m/z	Relative Intensity
53.03934	2.1
55.01860	1.1
55.05519	1.6
57.07061	1.3
62.23151	0.7
65.03931	0.9
67.01841	1.0
67.05507	4.9
68.99772	2.7
69.03429	0.8
69.07082	5.3
70.00748	2.9
79.05506	6.4
81.06660	0.8
81.07062	11.0
83.08607	1.9
85.06538	1.3
88.49695	0.9
91.05477	5.5
93.07048	5.4
95.04977	4.2
95.08611	7.9
97.02866	2.6
97.06521	0.9
98.21418	1.1
99.04416	1.2
99.08073	1.2
103.05484	8.2
105.07052	10.4
107.04965	12.8
107.08591	5.1
109.06516	6.7
109.10172	4.1
111.04451	3.9
117.03410	1.0
117.07019	0.9
119.04924	2.9
119.08583	3.9
120.05700	0.9
121.02830	1.1
121.05674	1.7
121.06513	32.4
121.10158	6.0
123.04435	31.2
123.11711	2.6
125.02342	2.9
125.06005	2.2
127.03902	3.0
131.04910	3.0
131.08525	0.9
133.06491	1.6
133.10136	2.5
135.04425	6.2
135.08057	11.2
135.11682	2.5
137.05984	66.1
139.03896	8.2
145.02887	1.6
145.10130	2.0
147.04390	5.6
147.11714	5.0
148.05138	2.3
149.04805	1.2
149.05978	18.5
149.13281	1.9
151.07611	0.7
153.00725	1.3
153.01843	17.0
154.02144	2.6
155.02289	4.1
159.11639	2.9
161.05957	6.5
161.13333	2.0
163.03926	7.3
163.07553	53.8
165.05487	10.4
165.09087	1.1
167.07054	40.8
173.13283	2.0
177.05832	0.9
177.16490	0.9
187.03851	0.8
197.05899	1.0
199.07498	1.0
200.04652	1.3
211.07545	1.5
215.06989	1.3
225.09151	1.3
239.07008	1.1
243.06593	8.4
243.10136	1.3
253.08646	1.6
256.07294	2.6
261.11258	1.6
271.09656	11.7
271.24203	2.0
289.06061	100.0
289.10760	3.9
289.18228	1.4
289.21884	1.5
289.25208	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	289.0708
Annotation	5,7,3',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
52.94690	0.4
53.03932	0.6
55.01862	0.7
55.05500	1.1
56.57837	0.4
63.44258	0.4
65.03929	0.6
67.01856	1.9
67.05493	1.4
68.99789	2.6
69.03418	1.3
69.07059	1.1
69.38358	2.4
70.85760	0.4
79.05510	2.1
81.03423	0.7
81.07059	3.7
83.01360	0.7
85.02905	0.9
89.03928	4.6
91.01268	0.4
91.05491	3.7
93.03401	0.9
93.07059	2.0
94.06561	0.8
95.04962	0.6
95.08611	1.8
96.08121	1.1
97.02914	1.1
99.08080	0.6
105.07024	1.5
106.06540	0.9
107.04978	2.4
107.08598	1.7
109.06499	0.5
109.10142	1.1
111.00829	2.3
111.04436	2.1
117.03386	6.9
117.05753	0.7
118.06543	3.1
119.04984	0.5
119.08582	0.6
120.08123	6.2
121.06517	24.9
121.10159	1.3
123.04433	4.6
124.07604	4.2
125.02361	0.5
127.03935	3.4
133.06512	1.0
133.10135	0.8
134.05998	2.6
135.04428	16.5
135.11726	0.7
136.07616	2.4
137.02356	1.9
137.05974	1.9
138.05519	1.0
139.03909	2.7
145.02863	11.4
145.10165	0.7
146.06001	3.3
147.06848	1.5
147.11673	1.0
148.07578	4.6
149.02324	0.6
149.06059	0.5
149.13258	0.8
151.03893	1.2
151.07597	0.5
151.11134	0.5
153.01840	100.0
156.08353	0.6
157.07632	0.6
159.04456	1.3
161.05959	1.2
161.13263	0.8
163.03920	64.2
164.07077	40.0
166.08636	1.6
171.02890	3.0
176.97134	0.8
179.03424	6.4
187.03983	2.3
205.04953	1.1
215.07106	0.6
215.15465	0.5
216.10231	1.0
229.13391	0.4
243.06491	0.5
243.10303	1.0
243.14912	2.3
245.16496	0.7
247.06059	0.8
253.04822	0.6
253.08574	0.6
254.11844	0.5
254.26862	0.4
271.06046	2.3
271.10153	0.5
271.14413	9.9
288.64246	0.6
289.07095	90.1
289.15454	36.4
289.25000	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	289.0707
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
55.01877	1.2
58.89109	0.6
65.03931	1.3
67.23631	0.7
68.99790	3.0
72.45732	0.8
78.88406	0.8
81.03419	1.0
82.59110	0.8
91.05516	3.5
91.06000	0.8
105.03394	0.8
107.04298	1.4
107.04964	18.5
109.02863	1.1
119.04928	2.0
121.02883	7.9
123.04467	1.2
127.03914	2.7
131.04951	1.2
135.04396	1.8
139.03885	1.2
141.07004	3.2
145.02870	1.1
145.06473	1.0
147.04379	1.5
147.08041	1.8
149.02356	64.0
150.16292	0.7
151.03851	1.0
153.01846	20.3
156.11285	0.9
159.04384	1.2
159.08096	0.8
160.31804	0.8
163.03976	1.1
169.06473	5.0
173.05972	1.7
183.34424	0.7
187.03944	0.9
187.07602	1.3
197.06009	5.9
204.59598	0.9
215.07047	67.2
225.05498	1.5
243.06552	100.0
253.05016	1.8
271.06027	39.2
289.07065	2.5
289.18549	0.8
310.96011	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0707
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
53.03912	0.8
55.01870	1.3
60.05650	5.2
65.03937	2.4
65.50906	0.6
67.01847	1.3
67.05492	1.8
67.19646	0.7
68.99773	2.8
69.68625	3.8
79.05481	1.2
79.73880	0.6
81.07052	1.7
85.02893	0.9
88.07653	0.8
91.05506	3.8
93.03416	1.1
95.04963	1.2
96.05611	1.0
97.02872	0.9
97.06554	1.4
100.05163	0.6
102.06673	8.9
107.04960	23.2
111.04432	2.4
115.05470	0.8
118.06503	3.0
119.04935	2.1
121.02879	6.6
123.03584	0.9
123.04438	14.6
125.09595	0.9
127.03909	4.3
130.06508	1.3
131.04935	2.3
133.06483	0.9
135.04440	8.2
137.02336	1.9
139.03923	6.1
141.06999	2.9
142.06438	0.8
142.63162	0.7
144.08084	2.4
145.02829	1.4
145.06458	1.3
146.06003	8.5
147.04414	2.2
147.08015	0.9
149.02351	60.0
151.03900	2.6
153.01848	19.9
156.11346	2.2
159.04398	1.6
159.08044	0.9
159.09215	1.1
161.05841	1.0
163.03932	3.8
167.03433	1.7
169.06444	3.9
170.06058	5.0
173.05988	0.9
179.03387	0.7
181.06470	1.0
184.08701	5.5
187.03879	1.7
187.07578	2.3
188.07080	12.1
195.02887	0.8
196.09886	0.8
197.05969	6.4
199.07544	0.9
213.05482	0.9
215.07033	68.1
225.05519	1.7
225.13867	0.8
229.04980	1.1
230.09286	3.2
243.06544	100.0
247.11932	1.6
253.05011	2.5
253.13365	1.3
257.16071	1.7
259.06055	1.2
262.23059	0.7
271.06021	41.2
289.07092	4.9
289.12946	12.9
289.15598	1.2
289.18585	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91722	0.4
50.92109	0.4
51.96777	0.5
52.18312	0.5
53.03946	0.7
55.01865	1.8
55.05512	0.6
56.05031	0.5
56.96569	10.2
57.03443	4.4
60.05637	1.2
61.02929	6.7
69.03076	0.9
69.03431	11.9
69.07105	0.6
69.77174	2.4
70.06591	7.0
70.98133	0.7
71.04984	2.6
72.08156	1.7
73.02928	5.5
81.03433	5.3
81.04543	5.9
82.06590	1.2
83.01314	0.8
83.06101	2.0
84.04485	0.8
84.08150	1.8
84.96011	1.0
85.02911	26.2
86.03219	0.6
86.06082	0.7
86.09706	1.9
87.04480	3.6
91.02336	0.8
91.03970	2.8
97.02354	0.8
97.02895	12.7
98.03186	0.6
98.97585	10.3
99.04465	2.8
100.99162	1.2
101.00855	1.8
101.02340	0.7
105.02052	0.6
106.02833	1.5
107.04963	2.5
108.04482	1.3
108.05608	8.4
109.02902	3.4
110.01284	0.7
110.97573	4.6
112.08710	0.6
112.99149	6.3
113.00847	0.8
113.03527	0.8
115.02400	0.9
115.03962	0.7
116.07100	1.5
116.98602	1.7
117.03945	0.8
119.01888	2.6
120.55898	0.5
121.06487	0.6
122.07138	0.6
124.02876	0.5
124.99142	0.6
126.05581	8.4
126.06641	100.0
127.00714	0.6
127.03934	6.5
128.02231	0.6
128.04248	1.0
128.07095	3.3
128.98598	2.8
131.00198	4.3
131.01825	0.9
131.03624	1.1
133.01617	0.7
133.03372	1.8
138.02527	0.6
140.02353	0.9
143.00142	1.2
143.01906	0.9
145.01744	1.5
145.04956	4.8
146.02261	1.0
146.99593	0.9
147.03093	1.0
147.04358	0.8
148.03874	0.7
149.01178	0.6
149.05968	1.2
151.12263	0.6
152.98708	0.5
153.04102	1.3
154.03844	2.5
155.99733	0.9
156.03508	1.3
156.98166	2.5
157.01678	0.6
158.99667	2.1
159.03285	0.8
160.06491	0.6
161.01266	1.0
161.02913	2.0
163.02779	1.9
163.04442	2.8
167.07071	0.6
168.03453	0.6
169.04396	6.1
170.99619	0.8
171.04152	0.7
173.01305	0.7
173.02966	1.0
174.55032	0.6
174.99152	6.4
175.02779	1.6
175.11906	1.8
176.05234	0.5
177.00755	0.9
178.04939	18.9
178.55054	1.2
182.03340	1.4
182.99736	0.6
185.04057	1.2
185.05728	1.8
186.04411	0.7
188.07719	0.9
189.00714	1.0
191.02209	0.8
191.03880	2.0
193.00281	3.3
193.03969	1.2
198.04684	2.3
198.06410	1.0
198.54756	0.6
199.05386	0.7
200.04405	0.9
201.00674	0.7
204.02950	0.7
206.06982	1.5
206.08809	1.2
207.05231	4.6
207.07069	5.0
216.05798	1.7
217.01956	0.5
219.01828	2.9
224.08066	1.0
227.05013	0.9
228.05434	0.8
233.03351	0.7
235.06531	2.0
237.02795	1.7
242.05498	2.3
246.08261	1.4
247.04900	0.8
249.06110	0.6
251.04445	1.4
257.05121	0.6
258.05478	0.9
258.08228	0.8
261.02637	0.6
269.05487	1.8
272.06787	2.3
279.07236	2.7
279.57498	0.5
288.07092	3.6
288.09818	8.6
288.16321	1.4
288.20410	7.2
293.05438	1.7
306.08575	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11422	0.2
53.03943	0.2
55.01873	4.6
55.05512	3.5
57.03434	1.0
59.04990	0.2
65.03954	0.4
67.01863	1.3
67.05507	4.7
68.99793	1.0
69.03439	0.7
69.07065	1.4
69.57065	1.0
71.04996	5.6
76.59969	0.2
79.05490	3.0
81.03424	0.7
81.07059	4.0
82.03744	0.2
83.04988	0.5
83.08626	1.9
84.01842	0.2
85.06542	0.8
87.04483	2.2
88.72493	0.2
89.03917	0.5
91.05480	2.0
93.07043	2.6
95.04984	0.2
95.08609	1.7
97.06538	27.2
97.10173	2.6
98.98483	0.2
105.07030	0.6
106.46034	0.2
107.04978	0.5
107.08605	2.4
109.06467	0.2
109.10164	3.4
111.00838	0.4
111.08098	0.5
117.03405	0.6
117.07008	0.8
119.08553	0.3
121.02882	0.7
121.06511	0.5
121.10123	0.4
124.07603	0.3
125.02359	0.2
125.09646	1.7
129.01852	0.2
131.08582	0.8
133.10115	1.1
135.04428	3.1
135.08075	0.9
135.11707	0.8
137.02324	1.1
137.06030	0.3
147.11671	0.4
149.09653	0.3
149.13315	1.1
153.01833	9.7
153.09109	0.2
154.02209	0.2
157.06496	0.4
159.11673	1.0
161.02299	1.1
165.01921	0.2
167.14336	0.2
171.02916	0.5
171.04391	0.2
177.12743	1.6
179.03427	0.6
185.05952	0.3
189.11163	0.3
195.02953	0.3
195.13826	12.2
203.03404	0.3
213.05490	0.9
213.14854	4.7
241.04947	0.9
258.05215	0.3
259.05762	1.0
269.04416	0.7
269.17490	3.8
287.05502	100.0
287.18491	12.5
288.05899	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	287.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01851	2.3
55.05295	2.2
55.05513	22.0
57.03446	15.0
57.07059	2.7
62.42335	2.1
65.03930	2.5
67.05512	93.3
69.03423	3.1
69.07076	22.9
70.02233	10.7
71.04976	8.5
79.05499	39.5
81.03442	10.0
81.07065	100.0
82.03755	2.6
83.04976	6.9
83.08628	17.3
85.06531	9.4
91.05490	36.7
93.07052	84.4
95.04967	11.6
95.08616	32.9
97.02967	2.4
97.06541	28.8
97.10143	3.4
99.04464	2.8
99.08074	7.0
105.07052	16.9
107.08600	24.0
109.06495	3.7
109.10158	7.2
111.08083	12.5
113.09638	2.5
117.07026	22.3
119.08577	10.0
121.10118	10.8
123.11695	3.8
131.08574	22.5
133.10149	23.5
135.08086	3.1
135.11697	27.8
137.05936	4.9
145.10085	4.5
147.11647	3.1
149.09598	2.1
149.12202	4.3
149.13280	49.5
151.03893	3.3
151.11203	3.8
153.01807	3.9
157.10172	2.5
159.11708	58.0
161.13315	3.5
171.11996	2.5
173.13177	2.3
176.14299	3.4
177.12764	47.5
179.14355	5.1
185.13263	2.5
187.13354	2.0
193.12172	2.1
194.12692	2.6
195.13889	23.5
205.73409	2.2
213.14813	3.8
243.06102	3.4
243.16006	3.7
244.06294	23.7
251.16487	3.7
269.17517	86.6
271.05014	5.2
272.05908	13.5
287.05414	48.5
287.08191	99.5
287.18680	10.6
287.20953	10.2
287.23834	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	287.1278
Annotation	4'-Hydroxy-7,3'-dimethoxyflavan
Peak:m/z	Relative Intensity
50.20066	0.1
53.03938	0.6
55.01868	0.2
57.03421	0.2
63.00044	0.2
65.03930	0.2
66.04716	0.2
67.05499	0.3
68.99471	0.1
68.99776	0.8
69.07100	0.2
69.42106	1.1
74.93702	0.1
77.03933	0.2
79.05494	3.4
81.03429	0.2
81.07050	1.3
86.50707	0.1
91.05486	0.8
93.07068	0.4
94.04188	0.7
95.04974	0.4
95.08614	0.3
98.98450	0.2
103.05480	2.9
105.03389	0.3
105.07041	2.6
107.04964	2.8
107.08582	0.3
109.06521	6.6
113.07716	0.2
115.05454	0.2
117.07055	0.4
120.05750	0.4
121.06480	0.3
123.04457	0.5
131.04915	0.8
132.05716	0.4
133.06480	0.5
135.04437	0.4
135.08060	5.6
137.05983	100.0
138.06351	0.4
139.03989	0.2
148.05205	0.7
151.07573	0.5
153.01859	0.4
153.05501	0.2
161.05978	0.3
163.07547	19.5
171.04463	0.2
181.38771	0.1
199.03970	0.2
203.03363	0.2
213.05502	0.2
225.05420	0.2
241.04878	0.2
269.12836	0.3
287.05524	6.0
287.08316	0.5
287.12738	3.3
287.23727	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1277
Annotation	Tupichinol A
Peak:m/z	Relative Intensity
51.02375	0.7
55.01893	0.7
55.28805	0.5
65.03939	0.7
67.05515	3.0
67.94091	0.5
68.99796	1.0
69.03433	0.6
69.07063	0.7
69.94364	2.6
73.12565	0.5
79.05526	1.3
81.07052	2.3
83.08614	0.7
87.19725	0.5
91.05483	7.4
93.07049	2.2
95.04976	5.0
95.08586	0.8
97.00548	0.9
97.06515	0.7
103.05457	1.0
105.07034	1.4
107.04973	1.3
107.08573	0.7
109.06516	0.6
115.05485	1.6
117.07041	2.5
119.08609	0.9
121.06516	24.5
123.04436	100.0
134.07268	0.9
135.04405	1.5
136.05235	0.8
137.02286	0.5
137.05984	2.7
139.07553	3.7
145.06487	1.1
146.07288	3.8
147.04422	0.9
147.08119	2.8
149.05975	4.2
149.07104	1.3
149.09615	2.0
151.07552	63.5
153.01828	4.6
153.05467	1.2
159.11784	0.7
161.05989	0.6
162.06772	2.1
165.09137	6.5
177.06718	1.8
177.09119	28.9
185.13185	0.6
188.49229	0.6
192.42067	0.5
216.42078	0.6
241.04961	0.9
244.06450	0.8
249.78134	0.5
259.09665	0.6
272.05759	0.6
287.05502	42.7
287.08252	4.4
287.16327	0.9
287.20001	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0913
Annotation	Homobutein
Peak:m/z	Relative Intensity
51.57752	0.7
53.03939	1.2
55.01869	1.0
55.05520	3.8
55.99504	0.7
56.05852	0.8
57.03433	3.2
58.09872	0.8
59.65890	0.7
60.17112	0.7
65.03942	2.6
67.05510	7.3
68.05853	1.6
68.99800	3.0
69.07081	3.6
69.42352	6.0
71.05000	1.5
77.03932	0.9
79.05494	6.0
80.05853	0.7
81.03419	11.4
81.07061	13.1
82.03768	3.6
82.07390	2.7
83.03852	1.1
83.04987	1.8
83.07749	0.8
83.08630	3.7
84.08945	0.7
85.06544	0.9
86.09707	1.4
86.64023	0.7
91.05494	5.0
92.05832	1.8
93.03460	1.6
93.07034	4.0
95.04977	4.2
95.08613	3.7
96.05324	1.4
96.08971	0.7
97.06540	1.6
98.20606	0.7
105.07030	5.1
106.07334	1.3
107.04959	37.9
107.07771	0.8
107.08595	2.7
109.06534	2.9
109.10166	2.1
110.03655	2.5
111.04446	7.2
111.08092	1.3
119.04948	1.6
119.08599	3.5
121.06516	14.5
121.09344	1.1
121.10157	3.0
121.18132	0.7
123.04404	1.5
123.11724	2.6
124.12072	1.6
125.06005	11.4
125.12446	1.0
128.10716	1.4
129.07007	1.5
131.08617	1.1
133.06490	3.7
133.10167	1.3
135.04419	53.7
135.11734	0.8
136.05292	0.8
136.40204	0.8
137.02345	14.1
137.05984	30.1
139.03911	2.1
145.10114	1.0
147.04364	1.1
147.11736	4.6
148.12036	2.9
149.05992	18.8
149.12384	3.3
150.06769	2.0
151.03931	1.7
153.01846	3.0
153.05478	36.1
157.10185	1.2
163.03915	74.3
165.12764	1.8
167.13400	1.6
170.07236	1.3
171.02948	0.8
171.04427	1.0
175.07568	1.2
175.11215	0.9
177.05478	20.1
177.11864	1.1
181.06462	2.9
182.07364	1.5
185.06007	1.3
185.09666	0.8
186.06598	0.9
193.12250	3.0
194.12590	1.9
195.08139	1.0
195.12854	4.7
197.05988	2.9
198.06755	4.2
199.07736	1.1
209.06010	2.1
213.05417	0.9
213.09094	11.3
223.07593	0.9
225.05400	1.1
226.06218	9.6
227.07028	2.4
231.14969	1.2
237.05542	1.8
238.06340	1.7
241.08521	4.0
244.06186	1.0
251.20085	1.2
254.05704	8.2
259.09689	12.0
269.08099	59.2
269.16501	2.6
270.08496	1.0
287.05536	31.8
287.09137	100.0
287.17371	10.3
287.23602	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	287.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
55.01870	0.4
55.05508	0.3
56.05014	0.2
57.03424	0.2
65.03934	0.1
66.29277	0.1
67.01871	1.1
67.05505	0.6
67.27344	0.1
68.99799	2.0
69.03428	0.4
69.07062	0.1
70.06587	0.3
71.04990	0.3
71.52145	0.2
72.08139	0.1
79.05507	0.7
81.03413	0.3
81.07072	0.8
83.04974	0.3
83.08630	0.1
83.62484	0.1
84.04510	0.1
84.08116	0.2
85.06530	0.1
86.09673	0.2
87.04488	0.2
89.03930	0.5
91.05482	1.0
93.07051	0.8
95.04977	0.3
95.08580	0.3
97.02906	0.2
97.06548	0.7
98.09676	0.2
99.08093	0.2
103.05486	0.3
105.03414	0.1
105.07030	0.2
107.04961	0.5
107.08574	0.3
109.02877	0.4
109.06517	0.1
109.10150	0.3
111.00807	0.5
111.04417	0.4
111.08121	0.1
115.05482	0.2
117.03406	0.6
117.07018	0.3
118.52023	0.1
119.08559	0.4
121.02896	0.2
121.06481	0.2
121.10172	0.1
123.04422	0.3
127.03932	0.2
129.01837	0.2
129.07004	0.2
131.04929	0.5
131.08614	0.2
133.10146	0.3
135.04422	3.8
135.08055	0.2
135.11714	0.3
137.02367	0.8
137.05997	1.1
139.05478	0.2
141.06964	0.5
145.06491	0.4
147.04407	0.4
149.02335	0.3
149.06018	0.2
149.09621	0.1
151.07497	0.1
152.06227	0.1
153.01840	8.9
153.05472	0.4
157.06485	0.5
159.11722	0.4
161.02362	0.9
161.05904	0.2
163.07587	0.2
167.05040	0.1
169.06548	0.6
171.02899	0.7
171.04428	0.9
173.05966	0.4
175.03972	0.3
177.05522	0.2
177.09126	0.2
177.12775	0.4
179.03432	0.5
185.05986	0.7
186.06795	0.2
187.07552	0.5
189.05505	0.3
191.07053	0.2
195.04359	0.1
195.08063	0.3
195.13808	0.4
196.08917	0.1
197.05983	0.4
199.03905	1.2
201.05464	0.5
201.09108	0.6
203.03452	0.9
211.07439	0.2
212.08266	0.3
213.05428	1.0
214.06281	0.4
217.04967	0.5
219.06538	0.5
226.07414	0.6
227.03352	0.3
227.10695	0.4
229.08556	1.3
231.06509	0.3
241.04941	1.5
241.09807	0.4
241.16411	0.1
243.16811	0.3
245.04459	0.8
245.11594	0.1
255.10210	0.3
256.11063	0.2
258.05109	0.2
259.06049	0.6
269.04492	1.1
269.09222	0.4
269.12714	0.4
269.17279	0.2
287.05511	100.0
287.10364	3.1
287.12820	4.3
288.05750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Luteolin
Peak:m/z	Relative Intensity
67.01872	1.3
68.99811	0.9
70.10673	0.3
70.11067	0.3
79.05516	0.2
89.03912	0.6
107.04943	0.2
111.00797	0.2
111.04402	0.2
117.03355	0.6
129.01854	0.2
135.04428	4.0
137.02304	1.2
153.01842	10.4
159.36377	0.2
161.02306	1.1
171.02898	0.4
179.03319	0.3
185.05963	0.3
213.05444	0.3
241.05020	1.1
244.06306	0.4
269.04471	0.8
287.05508	100.0
288.05820	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0552
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.01867	0.2
56.92450	0.2
65.03945	9.4
66.39826	0.1
67.01871	0.4
67.05504	0.3
68.99795	1.0
69.07055	0.2
70.65216	0.2
70.65549	0.3
79.05488	0.6
81.07056	0.5
91.05464	0.4
93.03427	0.2
93.07032	0.2
94.04197	0.4
95.08614	0.3
98.20901	0.2
103.05498	0.2
105.07063	0.2
107.04975	1.2
109.02883	0.5
109.06549	0.3
109.10161	0.3
111.04449	1.4
116.44015	0.2
117.07032	0.2
119.04953	0.3
119.08624	0.2
121.02887	0.5
121.03986	1.4
121.06531	0.3
121.10087	0.1
123.04467	0.2
131.08572	0.2
135.00948	0.2
135.04408	1.0
135.08035	0.3
137.02390	0.7
137.05983	4.3
147.04422	0.7
149.06033	0.3
150.03104	0.3
152.01065	0.3
153.01839	2.9
153.05440	1.2
155.35231	0.2
163.03932	1.2
163.07616	0.6
165.01852	0.7
165.05493	0.4
165.16769	0.2
166.02623	0.3
170.02100	0.2
171.04446	0.4
177.05469	1.0
181.06483	0.2
183.02863	0.3
185.05884	0.3
193.04996	0.5
194.02051	0.3
195.02904	11.3
197.05945	0.2
199.03888	0.9
199.07562	0.2
203.03418	0.8
209.06007	0.1
213.05508	0.7
216.04251	0.2
217.04955	0.3
221.04422	0.4
227.03438	0.4
227.07011	0.2
231.06569	0.4
241.05000	0.5
241.08571	0.2
241.49107	0.2
245.04471	7.0
255.06630	0.2
259.05963	1.0
259.09695	0.4
269.04419	0.6
269.08234	0.3
287.05518	100.0
288.05804	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.01858	0.4
55.05504	0.5
57.03424	0.3
65.03943	0.3
67.01856	0.5
67.05502	0.9
68.99788	1.3
69.03423	0.5
69.07064	0.7
70.77840	0.5
71.04975	0.3
79.05486	0.9
81.03418	0.4
81.07062	1.1
83.04937	0.3
85.06527	0.3
91.05463	1.1
91.89340	0.2
93.03425	0.2
93.07082	0.9
95.04964	0.4
95.08599	0.7
97.02870	0.2
97.06520	0.4
99.08102	0.2
101.06031	0.3
103.05461	0.3
105.03420	0.5
105.07015	0.3
106.06587	0.2
107.04926	0.9
107.08595	0.4
109.02872	0.6
109.06519	0.2
109.10132	0.4
111.00833	1.0
111.04441	0.5
113.09671	0.4
117.07029	0.4
118.87414	0.2
119.08591	0.4
120.08092	0.2
121.02881	3.4
121.03806	0.3
121.06507	0.4
121.09189	0.2
121.10135	0.5
123.04446	0.4
124.07588	0.6
125.05918	0.2
129.06981	0.4
131.04941	0.3
133.02859	0.8
133.10144	0.3
135.04448	1.3
137.02347	2.2
137.05991	0.5
141.07019	0.3
145.06483	0.3
147.04417	1.2
149.02298	0.4
149.13309	0.2
153.01842	8.2
153.05444	1.0
156.11334	0.3
157.06560	0.9
161.02368	0.3
161.05954	0.2
161.13252	0.2
163.11394	0.2
165.01866	2.2
169.06468	0.2
171.02959	0.2
171.04414	0.5
173.09538	0.2
177.05533	0.3
181.06389	0.2
183.02908	1.3
185.05988	0.9
187.14832	0.2
197.05997	0.4
198.07921	0.3
199.03905	0.4
201.05309	0.2
203.03319	0.2
203.06998	0.2
213.05467	2.4
213.10097	0.2
215.17900	0.2
217.04993	0.2
219.06485	0.3
226.07420	0.2
231.06474	1.0
241.04941	1.5
241.09642	0.5
242.05672	0.2
243.15038	0.3
245.04460	0.5
258.05231	1.7
259.06067	0.6
269.04480	0.5
269.21069	0.2
270.11249	0.4
287.05515	100.0
288.05859	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Luteolin
Peak:m/z	Relative Intensity
54.58762	0.1
61.21446	0.1
63.94006	0.1
65.03950	0.1
67.01871	1.0
67.05517	0.1
68.99440	0.1
68.99793	1.3
69.87624	0.2
70.12371	0.0
76.93533	0.1
77.04014	0.1
79.05493	0.4
81.03423	0.2
81.07043	0.1
89.03927	0.3
93.07024	0.1
95.04937	0.1
97.02914	0.1
97.06531	0.1
98.21448	0.1
102.78864	0.1
103.05482	0.1
105.03408	0.2
107.04963	0.5
107.21854	0.1
109.02874	0.3
111.00815	0.5
111.04465	0.2
115.05453	0.1
117.03407	0.3
117.06965	0.1
121.02872	1.6
121.03898	0.1
123.04414	0.1
125.02353	0.1
127.03895	0.1
128.06282	0.1
129.01862	0.1
129.07024	0.2
131.04950	0.1
133.02866	0.2
135.04424	2.9
137.02353	1.3
137.03389	0.1
137.06015	0.1
139.05420	0.1
141.06996	0.1
145.06474	0.2
147.04391	0.5
151.07506	0.1
153.01833	10.1
157.06508	0.4
161.02353	0.8
161.05975	0.1
165.01833	0.9
167.04977	0.1
171.02885	0.4
171.04451	0.3
175.03818	0.1
177.12697	0.1
179.03412	0.4
183.02914	0.5
184.05243	0.1
185.05948	0.5
189.05397	0.1
197.05952	0.1
199.03867	0.1
201.05550	0.1
203.03371	0.2
203.07072	0.2
212.04672	0.1
213.05447	1.0
218.05730	0.1
219.06532	0.1
227.03499	0.1
229.04964	0.1
231.06483	0.4
240.04156	0.1
241.04944	1.3
243.06453	0.1
245.04410	0.2
258.05301	0.6
259.06061	0.3
263.05386	0.1
269.04395	0.6
270.05011	0.1
286.04697	0.1
287.05496	100.0
288.05798	0.6
294.74435	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	287.054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.1
55.05501	0.2
56.10318	0.1
67.01870	1.4
67.05492	0.4
68.99802	1.3
69.07072	0.2
69.65514	0.8
71.04978	0.2
72.93512	0.1
74.96038	0.1
79.05489	0.5
81.03411	0.4
81.07043	0.5
84.41035	0.1
85.06561	0.2
89.03916	0.5
91.05448	0.4
93.07047	0.2
95.04934	0.2
95.08603	0.2
103.05526	0.1
103.23030	0.1
105.07030	0.2
107.04967	0.3
107.08595	0.2
109.02860	0.2
111.00791	0.3
111.04439	0.2
115.05426	0.2
117.03361	0.7
117.16656	0.1
119.08518	0.2
121.06504	0.2
121.10135	0.2
123.04439	0.2
129.01830	0.3
129.07021	0.2
131.04950	0.2
133.10121	0.2
135.04411	3.7
137.02361	1.3
137.06010	0.7
145.10133	0.2
147.04422	0.2
153.01840	10.7
153.05420	1.0
157.06465	0.3
159.11650	0.2
161.02330	1.6
167.06897	0.2
171.02887	0.6
171.04373	0.3
179.03416	0.4
185.05989	0.3
199.03893	0.2
203.03448	0.3
212.08313	0.2
213.05440	0.7
217.04964	0.2
218.05655	0.1
219.06474	0.2
227.03609	0.2
227.10730	0.2
231.06436	0.4
241.04971	1.7
245.04523	0.2
259.06128	0.2
269.04462	0.8
287.05505	100.0
288.05811	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.1
55.01872	0.2
56.96541	0.1
65.03933	0.2
67.01864	0.5
67.05499	0.2
68.99787	1.8
69.03423	0.2
69.07080	0.1
70.31539	0.2
71.01340	0.1
79.05492	0.6
81.03397	0.2
81.07053	0.2
83.04974	0.1
85.02872	0.1
86.09698	0.1
89.03902	0.1
91.05470	0.2
93.07016	0.1
95.01350	0.1
95.04953	0.1
95.08587	0.2
97.02869	0.1
97.06494	0.1
98.21463	0.1
98.97595	0.1
103.05456	0.2
105.03384	0.7
105.07033	0.1
107.04964	0.9
107.08608	0.2
109.02893	0.5
109.10135	0.1
110.97604	0.1
111.00811	1.1
111.04445	0.2
115.05459	0.1
117.03336	0.2
117.07025	0.1
119.04922	0.2
121.02872	4.4
121.03851	0.2
121.06490	0.1
121.10146	0.1
127.03894	0.2
128.06223	0.1
128.10728	0.2
129.01762	0.1
129.06992	0.3
131.04942	0.1
132.10165	0.1
132.62338	0.1
133.02856	0.5
133.06549	0.1
135.04420	1.1
135.08072	0.1
137.02342	1.8
137.05954	0.3
141.07022	0.2
145.06523	0.4
147.04416	1.0
151.03896	0.1
153.01830	9.0
157.06471	1.1
159.08139	0.1
161.02351	0.2
161.05963	0.3
163.89638	0.1
165.01837	2.8
167.04863	0.1
169.06483	0.1
171.02988	0.2
171.04424	0.4
173.06007	0.1
174.09294	0.1
175.03899	0.2
175.07552	0.1
176.09430	0.1
179.03439	0.1
183.02911	1.2
184.05173	0.1
185.05971	0.9
189.05537	0.3
194.02032	0.1
197.06049	0.2
197.11504	0.1
199.03879	0.3
201.05527	0.1
203.03409	0.2
203.07071	0.2
213.05478	2.3
217.04944	0.2
219.06581	0.1
223.04062	0.1
227.03432	0.1
229.04916	0.3
230.05292	0.1
231.06511	1.0
241.04942	1.4
242.05690	0.1
243.06647	0.1
245.04485	0.2
255.66386	0.1
257.04416	0.1
257.08096	0.1
258.05243	1.8
259.06021	0.7
263.05499	0.1
269.04443	0.5
269.08896	0.1
269.12408	0.1
286.04501	0.1
287.05493	100.0
288.05762	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.1
55.01872	0.2
56.96541	0.1
65.03933	0.2
67.01864	0.5
67.05499	0.2
68.99787	1.8
69.03423	0.2
69.07080	0.1
70.31539	0.2
71.01340	0.1
79.05492	0.6
81.03397	0.2
81.07053	0.2
83.04974	0.1
85.02872	0.1
86.09698	0.1
89.03902	0.1
91.05470	0.2
93.07016	0.1
95.01350	0.1
95.04953	0.1
95.08587	0.2
97.02869	0.1
97.06494	0.1
98.21463	0.1
98.97595	0.1
103.05456	0.2
105.03384	0.7
105.07033	0.1
107.04964	0.9
107.08608	0.2
109.02893	0.5
109.10135	0.1
110.97604	0.1
111.00811	1.1
111.04445	0.2
115.05459	0.1
117.03336	0.2
117.07025	0.1
119.04922	0.2
121.02872	4.4
121.03851	0.2
121.06490	0.1
121.10146	0.1
127.03894	0.2
128.06223	0.1
128.10728	0.2
129.01762	0.1
129.06992	0.3
131.04942	0.1
132.10165	0.1
132.62338	0.1
133.02856	0.5
133.06549	0.1
135.04420	1.1
135.08072	0.1
137.02342	1.8
137.05954	0.3
141.07022	0.2
145.06523	0.4
147.04416	1.0
151.03896	0.1
153.01830	9.0
157.06471	1.1
159.08139	0.1
161.02351	0.2
161.05963	0.3
163.89638	0.1
165.01837	2.8
167.04863	0.1
169.06483	0.1
171.02988	0.2
171.04424	0.4
173.06007	0.1
174.09294	0.1
175.03899	0.2
175.07552	0.1
176.09430	0.1
179.03439	0.1
183.02911	1.2
184.05173	0.1
185.05971	0.9
189.05537	0.3
194.02032	0.1
197.06049	0.2
197.11504	0.1
199.03879	0.3
201.05527	0.1
203.03409	0.2
203.07071	0.2
213.05478	2.3
217.04944	0.2
219.06581	0.1
223.04062	0.1
227.03432	0.1
229.04916	0.3
230.05292	0.1
231.06511	1.0
241.04942	1.4
242.05690	0.1
243.06647	0.1
245.04485	0.2
255.66386	0.1
257.04416	0.1
257.08096	0.1
258.05243	1.8
259.06021	0.7
263.05499	0.1
269.04443	0.5
269.08896	0.1
269.12408	0.1
286.04501	0.1
287.05493	100.0
288.05762	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.8
55.05505	2.0
56.05036	0.9
56.96568	2.9
57.03442	1.4
59.05001	2.5
61.02930	6.3
68.05018	0.7
69.03425	1.9
70.00974	1.0
70.01373	2.4
70.06596	7.4
71.04995	5.1
72.08137	0.9
73.02917	1.3
73.06569	0.7
76.29819	0.6
79.05495	2.3
81.03403	1.0
81.07065	12.4
82.05341	1.9
83.06112	10.5
85.02913	5.2
87.08108	2.0
93.04541	6.7
95.04929	0.9
95.06100	15.2
97.02900	2.4
97.99209	0.8
98.97607	6.2
99.08118	1.0
102.80742	0.6
107.06087	2.4
107.07005	0.5
109.02859	0.8
110.07175	97.8
110.97589	0.8
111.05593	1.7
112.07613	6.3
112.08774	3.4
116.98615	0.8
121.07646	1.9
122.02754	1.9
123.04440	6.4
124.03978	3.7
124.07589	0.9
125.04182	1.0
127.03934	1.6
128.98677	0.7
130.08640	0.8
137.05978	0.9
139.05063	0.6
140.07104	4.6
143.00154	0.9
145.04893	0.9
146.01308	0.6
146.09630	0.7
147.03343	0.7
155.04671	2.9
155.54759	0.7
156.03369	0.7
156.07692	14.9
158.99649	2.0
163.12315	59.4
165.05493	3.3
165.07462	1.2
166.06136	1.8
168.53824	0.8
173.01236	1.1
175.04155	0.7
177.00711	0.7
185.09258	2.9
186.04440	1.2
190.11803	1.0
190.13397	9.3
193.13353	0.9
199.05455	0.6
204.56627	1.3
208.14450	13.9
210.16069	1.5
212.15143	1.5
213.05428	1.4
219.01761	0.8
219.11278	2.1
227.06854	0.9
227.56866	1.6
236.13928	8.9
237.02863	1.3
240.17101	10.6
242.18657	1.1
254.15033	21.8
262.08304	1.8
268.16507	1.0
277.08911	1.0
285.59125	0.9
286.09259	2.2
286.17630	100.0
309.08609	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	285.2213
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
55.05508	14.9
59.04998	2.4
65.03920	2.4
67.05508	21.1
69.07069	50.3
69.19943	21.5
69.45823	2.5
71.04990	7.7
79.05486	14.1
81.03435	3.5
81.07061	28.4
83.04967	4.3
83.08620	7.6
85.06499	2.1
91.05484	21.7
93.07045	29.7
93.32979	2.1
95.04952	11.9
95.08607	38.2
97.06532	16.9
97.10172	4.7
98.20759	3.3
99.08109	2.4
105.07034	68.1
107.08596	37.0
109.06507	25.1
109.10166	31.7
111.08049	3.4
112.93375	2.2
115.05396	2.8
117.07020	3.8
119.08587	83.9
121.06507	6.0
121.10152	28.1
123.08046	6.2
123.11694	16.6
128.06235	3.4
130.07770	2.8
131.08575	10.0
133.10132	49.2
135.08057	10.0
135.11700	16.2
137.09595	5.7
142.07837	3.0
143.08553	5.6
144.07797	2.3
145.10106	21.1
146.07269	8.8
147.08018	4.6
147.11694	22.0
149.09584	5.3
149.13307	2.9
155.08510	4.2
157.10132	8.4
159.11714	8.7
161.09618	88.3
161.13289	7.5
169.10106	6.6
171.11739	4.0
173.13280	7.7
175.11229	3.7
175.14822	60.4
177.16441	13.4
182.10905	3.9
183.11763	3.6
185.13275	8.2
189.12732	4.1
189.16417	3.5
193.15904	9.2
197.13248	9.0
199.14722	3.0
201.16394	2.2
203.18149	2.2
204.35597	2.1
211.14825	7.5
215.14244	2.4
215.17979	4.1
242.05740	35.5
267.21109	9.4
270.05185	14.4
285.07584	100.0
285.22113	24.7
285.29648	2.8
285.33405	2.8
286.08331	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
55.01865	0.6
55.05519	2.1
56.26336	0.2
57.03440	3.1
57.07083	0.2
63.66779	0.2
67.05509	4.2
68.99796	0.3
69.07069	2.0
69.24533	1.8
69.24940	0.5
70.54758	0.2
71.04980	0.8
72.91887	0.3
76.85788	0.2
79.05134	0.3
79.05505	3.3
81.02995	0.3
81.03422	3.8
81.07063	10.0
81.96742	0.2
83.04980	1.0
83.08620	1.9
85.02910	0.7
85.06541	0.5
91.05487	4.2
93.07056	2.4
95.04961	1.8
95.08615	3.1
97.02899	0.2
97.06534	1.0
98.97602	0.3
99.08096	0.5
100.79296	0.2
101.06021	0.3
105.07038	4.6
107.04946	1.1
107.08604	1.8
109.06505	1.0
109.10146	0.7
110.40500	0.2
111.08084	1.1
113.05982	0.4
113.73454	0.2
117.07004	0.3
119.04950	0.4
119.08587	3.8
121.02990	0.2
121.06491	3.2
121.10156	2.3
123.04434	0.8
123.08041	0.4
123.11711	2.7
125.09611	0.4
126.04802	0.2
127.07545	0.5
128.06183	0.2
129.07048	0.8
131.04900	0.6
131.08589	0.7
133.06514	1.1
133.10120	1.1
135.04440	0.4
137.02315	0.5
137.05966	0.6
141.07021	0.4
145.02884	0.3
145.06526	0.4
145.10107	0.5
147.11696	9.3
149.09630	0.4
151.03926	0.4
153.01852	1.5
157.10190	1.3
157.79169	0.3
159.04398	0.4
161.05981	0.7
163.03912	0.8
165.12744	4.6
167.03433	2.2
168.05801	0.4
169.06467	0.7
175.11215	1.8
182.07294	0.2
183.08025	0.4
183.13792	0.7
186.06734	0.4
187.07484	0.3
193.06506	0.4
193.12244	3.0
197.06000	1.0
197.09555	0.3
210.06729	0.4
211.07536	0.7
211.13326	0.9
213.05577	0.5
214.06253	0.8
221.06000	0.8
224.04752	0.3
225.05457	1.0
225.09151	0.7
229.05078	0.4
229.08621	4.5
229.14282	1.7
239.07100	0.4
242.05753	20.1
252.04443	0.3
253.05035	0.4
253.08588	1.9
257.08044	1.9
267.06555	0.5
267.09607	0.2
267.15875	1.8
267.18756	0.2
269.04401	2.3
270.05228	11.0
271.05655	0.3
285.07593	100.0
285.16815	8.9
286.07877	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19569	1.2
54.52393	1.1
55.01864	1.3
55.05523	9.5
55.72683	1.1
57.03197	1.1
57.03443	13.6
57.07055	1.4
63.59425	1.0
67.05180	1.7
67.05511	24.7
69.07069	12.3
70.82957	2.3
71.04987	3.7
73.93994	1.1
79.05502	9.2
81.03424	3.0
81.07062	64.0
83.04969	3.9
83.08619	6.5
85.02882	1.3
85.06540	2.6
89.88697	1.2
91.05485	14.4
93.07049	9.6
93.63344	1.1
95.04947	2.6
95.08606	13.3
95.94978	1.1
97.06525	4.9
99.08090	2.2
101.06033	1.2
105.07041	23.7
107.08607	6.6
109.06509	3.2
109.10094	1.3
119.08599	16.8
121.10154	11.6
123.08078	2.8
123.11717	19.2
127.07551	1.5
131.08517	1.8
133.06572	1.2
133.10139	1.7
137.13254	1.5
145.10117	1.8
147.10507	2.6
147.11693	50.8
153.01813	1.5
157.10103	1.8
165.12767	32.8
175.11134	2.7
183.13817	4.3
192.20049	1.3
193.12238	3.6
211.13266	2.0
224.14577	1.3
229.14375	6.1
242.03423	2.1
242.05762	26.4
253.08609	1.7
255.26683	1.2
267.15771	2.8
269.04431	4.4
270.05264	20.4
285.07596	100.0
285.16974	51.1
286.07950	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
55.01866	2.0
55.05520	17.7
57.03194	2.1
57.03442	23.8
57.07048	1.7
61.31491	1.3
67.05508	32.2
69.06732	1.8
69.07076	21.3
70.64356	4.0
71.04993	7.9
71.41029	1.4
79.05502	18.3
81.03382	1.3
81.07062	100.0
83.05009	7.4
83.08624	8.5
85.06535	5.8
87.75567	1.2
91.05487	28.3
93.07049	16.4
95.04954	3.4
95.08609	19.9
97.06512	7.6
97.10149	1.5
99.08109	7.5
105.07037	38.1
107.08610	14.4
109.06516	6.3
119.07713	1.4
119.08588	31.3
121.10153	24.5
123.08064	5.9
123.11720	34.8
127.07543	2.5
129.06989	2.5
133.10132	4.0
137.13251	4.1
143.83400	1.3
147.11697	90.1
157.10149	3.8
165.12773	51.6
175.11220	4.8
183.13792	5.1
193.12222	3.0
229.14365	8.5
242.05637	3.0
267.15924	4.6
270.05316	2.6
280.90085	1.7
285.07635	12.4
285.16974	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01856	2.0
55.05513	9.2
57.03192	0.9
57.03439	10.6
67.05505	15.8
69.03432	1.2
69.07066	9.1
69.92508	3.8
71.04986	2.6
73.02937	0.9
79.05499	13.4
81.03422	62.9
81.07062	37.4
83.04993	5.5
83.08624	15.3
83.63267	0.7
85.02917	4.6
85.06526	2.4
91.05488	16.1
93.07040	9.7
93.30343	0.7
95.04968	16.7
95.08609	9.2
97.02918	0.8
97.06532	3.7
97.10180	1.8
98.20920	1.1
99.08092	1.6
103.05446	0.7
105.07038	16.9
107.04977	3.6
107.08598	7.2
108.22099	0.6
109.06521	3.8
109.10144	1.6
111.04366	0.8
111.08098	6.5
115.05423	1.6
117.06995	1.2
119.08585	14.8
121.06506	3.2
121.10140	9.9
123.04416	0.8
123.08059	2.8
123.11715	10.7
127.07581	1.8
129.07016	6.4
131.08588	5.1
133.06488	3.1
133.10182	3.3
135.04402	0.8
137.09558	0.8
142.07780	1.1
145.06499	1.2
145.10086	1.2
147.08015	1.3
147.11693	30.8
149.09601	2.3
153.01790	1.7
157.10141	5.9
165.12749	15.1
169.08624	1.7
175.11189	8.0
183.13849	1.6
193.12247	37.6
195.19933	0.8
211.13306	7.2
215.07057	1.2
222.23766	0.7
225.05479	0.8
225.09024	1.1
229.08656	1.4
229.14391	3.7
242.05740	16.8
246.07265	0.7
253.04964	1.0
253.08701	2.1
257.08334	0.7
267.15924	12.6
269.04446	10.9
270.05228	21.6
285.07590	100.0
285.16925	30.3
285.21790	1.0
286.08002	1.1
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	Hysterone D
Peak:m/z	Relative Intensity
53.03936	3.0
55.01854	1.8
55.05516	9.3
57.03441	9.5
58.84648	0.9
65.82574	0.9
67.05508	15.0
69.03424	2.1
69.07067	5.8
70.58084	2.5
71.04975	2.9
73.02913	1.3
73.99188	0.8
79.05499	15.5
81.03422	100.0
81.06588	1.6
81.07058	26.4
83.04989	6.0
83.08622	21.6
85.02902	3.0
85.06549	2.5
91.05489	15.8
93.07054	8.6
95.04976	27.0
95.08593	5.6
97.02892	2.2
97.06542	2.2
97.10184	1.5
99.08062	1.4
105.06400	1.3
105.07040	16.6
107.04954	6.4
107.08592	5.0
109.06533	3.7
109.10171	1.3
111.04436	2.5
111.08090	8.7
115.05426	1.7
117.07054	1.0
119.04962	0.9
119.08582	14.6
121.06511	1.8
121.10162	7.7
123.08104	2.2
123.11713	5.2
129.07013	8.6
131.08575	7.6
133.06519	2.9
133.10091	4.9
137.09639	1.3
142.07823	1.4
147.08080	3.2
147.11694	21.7
149.09625	4.8
153.01863	2.5
154.12419	1.0
157.10124	11.3
165.12759	10.5
175.11200	13.4
179.68739	0.8
184.34705	0.9
193.12254	54.0
197.94894	0.8
211.13263	6.3
221.41743	0.9
229.14581	1.9
242.05777	12.9
267.15912	20.2
270.05261	7.5
285.07602	54.1
285.16959	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	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
52.56512	0.8
53.03941	2.3
55.01870	1.1
55.05517	6.2
57.03443	5.6
60.79503	0.9
62.01058	0.8
67.05512	10.2
69.03423	2.0
69.07062	2.7
69.32053	5.8
69.32458	2.0
71.05003	1.9
73.02899	0.9
75.04496	1.1
79.05502	10.8
81.03426	100.0
81.07066	11.6
83.05000	4.6
83.08150	1.3
83.08624	20.7
85.02899	3.2
89.84473	0.8
91.05489	14.9
93.07052	6.7
95.04984	23.8
95.08601	2.8
97.02879	2.5
97.06513	0.9
97.10191	1.6
103.05517	0.9
105.07047	11.0
107.04972	5.1
107.08591	3.3
109.06516	2.2
109.10137	1.1
111.04443	1.7
111.08094	12.6
115.05474	1.1
117.06960	1.2
119.04927	1.3
119.08571	7.9
121.06490	2.1
121.10173	4.4
123.08028	1.1
123.11752	1.1
127.07558	0.9
129.07021	7.2
131.08586	7.2
133.06456	2.6
133.10147	4.6
137.09601	1.1
142.07782	2.8
144.56618	0.8
145.10132	1.0
147.08041	2.4
147.11697	6.9
149.09616	4.1
157.10146	9.4
165.12770	2.5
171.46133	0.9
175.11194	13.1
193.12262	52.3
204.99287	0.8
211.13304	6.9
215.07947	0.8
249.14943	0.9
267.15933	18.4
285.07632	5.8
285.17020	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01884	3.1
55.05516	11.5
57.03189	1.7
57.03444	21.7
57.05333	1.4
57.26255	1.4
59.00050	1.3
66.60213	1.5
67.05512	23.1
69.03436	4.6
69.07076	7.2
70.44032	1.6
70.50729	3.8
71.04986	5.6
72.52278	1.4
79.05496	22.4
80.77749	1.4
81.03426	54.5
81.07058	29.3
83.04994	9.6
83.08630	18.5
85.02911	38.0
85.06556	2.4
91.05481	25.5
93.07056	18.0
95.04974	22.5
95.08614	13.3
97.02891	1.7
97.06524	4.8
97.10188	2.7
99.08097	1.6
102.33015	1.4
105.07040	19.9
107.04949	4.3
107.08592	6.4
109.06510	5.6
109.10149	4.1
111.04449	4.3
111.08098	9.9
113.06033	3.5
115.05513	1.4
117.07025	1.4
119.08594	16.6
121.06490	1.7
121.10139	10.1
123.04430	1.8
123.08064	2.6
123.11721	4.4
129.07005	8.0
131.08574	9.9
133.06490	3.7
133.10135	11.1
137.09669	2.2
142.07776	2.4
145.10107	1.7
147.08055	2.2
147.11722	15.5
149.09619	5.3
153.01820	2.7
157.10120	15.0
161.13374	1.5
165.12788	6.0
170.51411	1.4
175.11203	11.9
193.12257	52.6
211.13287	33.2
213.05511	1.5
225.09146	1.9
229.05002	2.3
229.08588	3.4
242.05759	25.4
253.05009	2.0
253.08568	3.3
257.08145	4.3
258.05319	11.4
267.16010	5.6
269.04425	2.9
270.05280	16.5
270.40378	1.5
285.04114	5.2
285.07599	100.0
285.16974	61.7
285.21716	1.9
286.04730	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	285.1699
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03935	4.4
55.01873	4.1
55.05270	1.7
55.05516	23.7
57.03443	40.5
64.12263	1.1
65.03945	2.5
67.05511	34.4
69.03445	5.9
69.07074	9.5
69.18289	4.6
69.18714	7.5
71.04994	7.6
77.66660	1.3
79.05067	2.1
79.05498	31.1
81.03426	98.5
81.07063	40.3
83.04996	17.8
83.08630	30.7
85.02911	64.6
85.06554	2.7
87.04468	1.2
91.05490	40.9
93.07053	25.6
93.50895	1.1
95.04977	40.4
95.08618	17.1
97.02874	3.9
97.06541	4.9
97.10168	2.7
98.20725	2.7
99.08138	1.5
103.05461	1.4
105.06395	2.2
105.07040	32.1
107.04964	8.0
107.08614	11.5
109.06526	7.7
109.10143	5.2
111.04439	3.3
111.08086	18.5
113.06051	6.3
115.05441	3.0
117.07029	2.6
119.07840	1.2
119.08593	27.5
121.06528	2.7
121.10146	14.4
123.08070	5.0
123.11697	3.1
125.09666	1.9
126.72791	1.5
129.07019	13.6
131.08582	15.4
133.06483	4.3
133.10144	11.7
135.11681	1.7
137.09596	3.0
142.07817	3.6
145.10120	2.4
147.08032	2.4
147.11699	19.4
149.09665	8.9
157.10136	20.1
165.12747	5.4
175.11188	26.3
187.69037	1.3
193.12260	97.8
211.13312	60.8
218.68648	1.2
224.00504	1.2
229.14325	2.0
242.05750	4.7
267.15985	12.8
270.05255	2.7
281.65555	1.6
285.07663	17.3
285.16977	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03954	2.6
55.01865	4.3
55.05270	1.8
55.05513	15.7
57.03157	1.2
57.03442	23.9
64.44814	0.9
65.03938	1.9
67.05175	1.8
67.05508	25.1
69.03439	5.3
69.07070	6.4
69.16537	10.3
71.04997	7.7
79.05499	25.1
81.03425	87.7
81.07061	33.0
83.04982	11.7
83.08625	29.1
85.02910	46.5
85.06534	3.6
91.05486	32.3
93.07048	18.2
95.04976	31.3
95.08041	1.6
95.08614	13.8
97.02868	5.4
97.06540	4.2
97.10165	3.5
98.21529	2.1
99.04392	1.0
99.08116	1.4
105.07035	24.5
105.07690	2.0
107.04948	6.2
107.08620	9.5
109.06533	6.1
109.10150	5.0
111.04457	4.6
111.08086	16.0
113.06008	3.2
115.05453	1.8
117.07061	2.1
119.08591	21.2
121.06506	2.0
121.10168	13.5
123.08081	2.6
123.11703	3.6
125.09617	1.5
129.07004	10.6
131.08578	13.9
133.06465	3.2
133.10146	12.1
134.07195	1.0
137.09656	1.5
142.07767	3.2
145.10143	2.9
147.08055	3.3
147.11711	17.8
149.09595	7.4
149.94539	1.0
150.05519	1.5
153.01842	1.6
157.10143	12.8
161.05974	2.3
162.48184	1.1
165.01872	4.8
165.12776	4.9
165.45592	1.1
175.11215	19.0
183.02968	1.4
183.04384	1.5
193.12257	75.4
211.07550	1.1
211.13304	35.9
211.15283	2.0
221.05853	1.3
225.09149	4.2
229.14243	1.8
241.16429	5.2
241.18689	1.0
242.05746	32.9
249.18452	1.4
253.08617	5.3
260.78516	1.1
267.15973	13.8
267.18817	1.8
270.05280	29.2
270.08255	1.5
285.07608	100.0
285.11057	4.6
285.16882	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.01876	0.5
55.05519	2.9
57.03200	0.3
57.03445	5.3
57.07067	0.6
59.05026	0.4
67.05183	0.3
67.05511	5.2
69.03418	0.9
69.07058	1.4
69.44469	0.4
69.44882	1.9
70.06580	0.4
71.05005	1.5
79.05499	4.6
81.03423	16.4
81.07063	7.6
83.04976	2.0
83.08628	5.9
85.02434	0.5
85.02912	7.9
85.06554	0.7
88.97195	0.3
91.05493	6.5
93.07050	3.5
95.04976	6.4
95.08611	2.6
97.02904	0.6
97.06540	1.0
97.10181	0.7
97.57513	0.3
99.08089	0.5
105.07041	4.9
107.04970	1.6
107.08602	2.6
109.06519	1.3
109.10146	1.5
111.04450	0.7
111.08095	2.9
112.97397	0.3
113.06001	1.1
117.07020	0.4
119.08582	4.6
121.06505	0.7
121.10155	3.9
123.08042	0.4
123.11691	1.6
125.09632	0.7
129.07004	2.2
131.08549	3.0
133.06529	2.1
133.10141	2.1
135.08049	0.6
135.11670	0.4
137.05994	0.5
137.09636	0.5
142.07788	0.7
143.08592	0.6
145.10132	1.3
147.08058	0.7
147.11697	5.1
149.09602	1.4
151.11130	0.4
153.01790	1.8
155.08528	0.4
157.10139	3.7
159.04446	0.4
159.11642	0.7
163.11159	0.4
165.12863	1.8
169.10115	0.5
173.13226	0.3
175.11212	3.9
183.11743	0.8
187.48961	0.4
188.07587	0.3
193.12259	15.8
199.14795	0.9
211.13289	10.3
239.18008	0.6
242.05750	27.7
257.04578	0.4
257.18997	0.5
267.15762	2.8
270.05255	14.5
285.04089	5.4
285.07578	100.0
285.16702	15.7
285.29773	1.8
286.07773	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
55.01868	0.9
55.05523	2.7
57.03440	5.2
65.03948	0.5
67.05506	5.4
68.99794	0.5
69.03433	0.6
69.07051	1.6
69.59204	1.2
69.59633	1.2
71.04972	1.3
77.03909	0.4
79.05504	4.6
81.03426	16.8
81.07063	6.0
83.04993	2.1
83.08624	6.2
85.02447	0.6
85.02912	9.0
85.06525	0.5
87.11759	0.4
91.05486	9.6
93.07053	4.0
95.04982	7.4
95.08591	2.0
96.36096	0.4
97.02898	0.7
97.06520	1.1
97.10159	0.6
98.98465	0.5
103.05427	0.4
105.07038	5.2
106.04187	0.4
107.04952	2.2
107.08609	1.9
109.06500	1.3
109.10155	0.9
111.04418	0.6
111.08089	2.2
113.05968	0.5
114.15297	0.4
117.06967	0.6
119.04916	1.2
119.08592	3.7
121.05674	0.7
121.06513	14.3
121.10152	2.1
123.04427	1.3
123.08035	1.3
123.11661	0.6
129.07004	2.1
131.08604	1.9
133.06508	2.2
133.10085	1.4
134.44461	0.4
135.08009	1.4
137.02325	1.7
137.05054	0.4
137.05997	4.8
139.07556	3.0
142.07747	0.6
145.06436	0.7
147.04428	6.2
147.08203	0.4
147.11696	4.3
149.07072	0.7
149.09575	1.4
149.10666	0.4
151.07558	35.1
153.01775	1.4
157.10159	2.7
161.05951	1.6
163.07504	1.6
165.06990	0.8
165.12791	1.0
167.03421	0.6
175.07570	2.1
175.11203	3.8
187.40065	0.4
193.12263	17.6
197.05943	0.4
205.81573	0.3
210.06714	0.8
211.07480	0.7
211.13295	12.2
217.44727	0.4
225.05450	0.5
225.09102	1.7
227.06937	1.2
229.08618	2.2
229.14412	0.5
239.07011	1.1
242.05759	25.9
253.08568	2.0
254.09358	1.9
255.06441	1.0
257.08133	1.0
257.11752	3.4
267.15866	3.4
269.04471	0.8
270.05270	14.0
270.08572	2.0
285.07489	100.0
285.11044	21.5
285.16873	17.9
286.07944	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03938	0.9
55.01860	2.0
55.05515	7.2
56.24448	0.6
57.03193	0.9
57.03442	12.2
59.05943	0.6
67.05182	0.7
67.05508	9.7
69.03415	2.5
69.07072	4.2
70.32793	0.7
70.78762	1.7
71.04983	2.9
79.05494	9.8
81.03424	42.2
81.06588	0.8
81.07059	12.8
83.04993	4.4
83.08624	13.0
84.30256	0.6
85.02912	19.3
85.06525	0.8
91.05486	10.2
92.04248	0.7
93.07061	6.7
95.04970	13.7
95.08607	4.5
97.02883	1.2
97.06532	2.2
97.10165	1.3
105.07039	9.3
107.04972	2.7
107.08588	3.9
109.06516	2.6
109.10137	2.1
111.04434	1.4
111.08091	7.5
113.05989	1.5
115.05461	0.9
119.07793	1.0
119.08580	9.6
120.42747	0.6
121.06441	1.3
121.10148	5.7
123.08028	1.0
123.11702	2.1
129.07042	4.4
131.08569	5.8
133.06506	2.4
133.10149	4.3
137.09633	0.8
140.54947	0.6
142.07762	0.8
145.10147	0.9
147.08076	1.4
147.11708	10.9
149.09639	3.5
153.01811	1.7
157.10153	7.7
165.12766	2.6
175.11206	9.1
193.12260	43.0
211.13301	30.7
229.14398	1.7
242.05748	28.5
267.15927	8.0
269.04312	0.9
270.05261	15.8
285.04080	5.8
285.07578	100.0
285.16919	41.9
286.08029	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38345	0.4
53.03940	1.3
54.93351	0.4
55.01868	1.0
55.05508	4.1
55.99967	0.4
57.03188	0.6
57.03443	7.0
59.04998	0.5
67.05511	6.2
67.36764	0.4
68.99788	0.5
69.03419	1.2
69.07079	2.5
69.34290	3.8
71.04994	1.5
79.05493	7.6
81.03422	22.5
81.07061	9.0
83.04987	3.3
83.08622	7.5
85.02905	13.3
85.06528	0.9
91.05491	6.7
93.07041	4.5
94.04164	0.6
95.04974	8.5
95.08603	3.5
97.02905	1.1
97.06527	1.5
97.10186	0.9
98.98463	0.5
105.03431	0.8
105.07038	6.3
107.04955	2.2
107.08605	1.8
109.06528	7.5
109.10175	1.4
111.04427	0.8
111.08089	4.5
113.06006	1.1
115.05473	0.5
116.36508	0.4
117.07031	0.6
119.08609	4.9
121.06530	1.6
121.10151	3.0
123.04435	0.8
123.08053	0.9
123.11722	1.0
125.09651	0.7
128.31354	0.5
129.07025	3.1
131.05028	0.5
131.08586	3.2
133.06473	2.9
133.10153	2.4
134.03603	0.6
135.04430	0.5
137.05984	65.3
137.09573	0.9
141.06972	0.7
142.07898	0.5
145.10138	0.6
147.04352	0.5
147.11688	5.3
149.06073	0.7
149.09616	1.8
153.01852	1.7
157.10143	4.2
161.05981	5.8
165.12779	2.4
168.05794	0.8
169.06459	0.7
175.11224	5.4
177.05486	0.9
193.12254	20.0
196.05154	1.0
197.06065	1.0
211.07573	0.9
211.13286	14.9
213.05409	0.6
214.06328	0.5
225.05470	0.8
225.09157	0.7
229.08553	1.9
236.10812	0.9
239.07141	1.3
242.05746	22.8
253.04990	1.9
253.08540	1.1
254.36377	0.6
257.08163	1.0
267.15860	4.1
269.04434	4.6
270.05237	16.0
285.07602	100.0
285.11105	7.0
285.16898	22.5
286.07922	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.0
55.01870	1.4
55.05515	5.7
56.49015	0.5
57.03437	5.2
63.00045	2.2
67.05505	11.3
69.03410	1.7
69.07070	2.6
70.77842	0.6
70.78158	1.0
71.04998	1.3
79.05498	9.2
81.03419	83.8
81.07061	11.7
83.04983	4.5
83.08619	16.5
85.02910	2.4
85.06564	1.0
87.95862	0.6
91.05487	12.1
93.07061	4.6
93.07597	0.9
95.04973	19.2
95.08609	3.5
97.02874	1.7
97.06553	0.8
97.10210	0.8
98.98473	2.5
99.08086	0.8
105.07039	9.1
107.04961	5.8
107.08612	2.8
109.06518	2.5
109.10168	1.4
111.04451	0.7
111.08086	9.1
115.05444	1.1
116.98501	0.8
119.08583	7.9
121.06484	1.3
121.10170	3.6
123.04391	0.8
123.08104	0.7
123.11714	0.8
124.99980	0.6
125.06050	0.6
128.98366	0.6
129.07018	6.0
131.00017	2.6
131.08571	5.5
133.06526	4.0
133.10138	3.0
135.11613	0.7
137.05969	1.4
137.09631	0.6
137.93619	0.6
140.98447	1.2
142.07788	2.0
143.00015	1.9
145.10095	1.2
147.08044	2.2
147.11699	7.3
149.00917	0.6
149.09607	3.8
151.03931	0.8
153.01840	1.6
157.10138	8.1
161.13123	0.7
165.12764	2.3
166.39058	0.6
174.80574	0.6
174.99054	2.7
175.11182	9.7
175.12558	0.8
176.71411	0.6
178.90164	0.5
182.16779	0.6
185.01064	1.5
189.00560	3.3
193.12250	46.3
199.02725	1.4
203.02106	1.1
211.07610	0.7
211.13263	5.1
213.05510	0.7
217.03609	0.8
222.96872	1.4
225.09148	1.2
229.08652	1.0
242.05740	29.1
253.08630	1.5
257.08157	1.9
267.06400	0.6
267.15921	13.3
269.04446	0.8
270.05228	16.7
285.04037	4.1
285.07590	100.0
285.16541	4.1
286.07864	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.5
55.01867	1.9
55.05515	7.5
57.03448	5.5
66.54381	0.9
67.05507	13.0
69.03422	3.5
69.07062	2.8
69.45984	6.3
71.04996	2.9
79.05505	11.2
81.03422	100.0
81.07059	12.2
83.04992	5.6
83.08619	17.6
85.02920	3.5
85.06532	1.1
88.23725	1.0
90.33479	0.9
91.05481	12.7
93.07063	7.8
95.04971	22.2
95.08585	3.0
97.02927	1.1
97.06521	1.2
97.10192	1.5
105.07034	11.0
107.04998	5.6
107.08598	3.7
109.06548	2.8
109.10166	1.9
109.30676	1.1
111.04465	1.6
111.08085	10.8
115.05495	1.1
117.07027	1.6
119.08580	9.2
121.10130	3.4
125.09616	1.3
127.71353	1.0
129.07018	8.2
131.08560	8.0
133.06450	2.7
133.10138	4.9
134.03613	1.4
137.02376	3.0
137.09665	1.2
142.07776	2.7
145.10254	1.5
147.08043	3.1
147.11688	6.2
149.09596	3.9
157.10156	11.8
165.12743	2.2
170.29425	1.0
175.11224	12.5
193.12253	57.2
211.13272	8.5
213.05539	2.5
218.16354	1.0
225.05493	2.3
233.53421	1.1
242.05743	3.5
253.04890	2.9
267.15930	16.6
269.04510	1.8
270.05258	7.7
285.04272	1.5
285.07608	31.0
285.10925	1.3
285.16772	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0756
Annotation	Acacetin
Peak:m/z	Relative Intensity
53.03934	0.4
54.22791	0.2
55.01860	0.4
55.05483	0.6
57.03419	0.7
59.61951	0.2
60.61023	0.2
67.01846	0.6
67.05511	1.1
68.99788	0.3
69.03421	0.5
69.07060	0.5
69.63012	1.0
71.05000	0.3
79.05501	1.3
81.03422	7.5
81.07060	1.4
83.04967	0.5
83.08614	1.7
83.79971	0.2
85.02898	0.5
85.06537	0.2
91.05496	1.4
93.07041	1.2
95.04971	2.8
95.08607	0.8
97.02880	0.4
97.06520	0.3
98.20766	0.4
99.01652	0.2
105.07037	1.5
107.04958	0.4
107.08588	0.5
109.06498	0.5
109.10149	0.2
111.08098	1.2
115.05496	0.2
115.43089	0.2
119.08574	1.0
121.06504	0.2
121.10106	0.6
123.11733	0.2
129.06995	0.8
131.08539	0.8
133.06503	2.4
133.10139	0.4
135.04385	0.9
137.09634	0.2
142.07787	0.2
143.08553	0.2
145.10059	0.3
147.08041	0.2
147.11693	1.1
149.09615	0.5
153.01839	3.4
154.86848	0.2
157.10114	0.8
159.04445	0.9
163.11241	0.2
165.07028	0.2
165.12817	0.4
171.02875	0.5
175.11166	1.4
177.05510	0.2
193.06491	0.3
193.12256	5.4
199.14751	0.2
201.05505	0.2
211.13306	0.8
214.42401	0.2
217.08659	0.2
225.05481	0.4
225.09119	0.3
229.08540	0.3
239.07089	0.4
242.05743	26.7
243.06400	0.2
253.04890	0.3
253.08554	0.5
253.92165	0.2
267.15881	1.4
269.04489	0.6
270.05240	16.9
271.05524	0.2
285.07581	100.0
286.07944	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.076
Annotation	Acacetin
Peak:m/z	Relative Intensity
55.02271	0.2
55.70956	0.2
58.27578	0.2
70.13804	0.4
70.14187	0.5
77.05325	0.2
77.75532	0.2
79.05492	0.3
81.03430	1.0
81.07050	0.3
83.08631	0.2
89.03913	0.4
91.05492	0.4
93.06999	0.2
95.04972	0.3
96.02108	0.2
105.07081	0.2
107.04958	0.4
119.04941	0.8
119.08481	0.2
120.96772	0.2
121.02820	0.3
121.06520	2.4
123.04433	0.7
127.86715	0.2
133.06482	0.5
134.03650	0.6
135.04442	0.3
137.02353	15.9
141.06989	0.5
148.05208	0.6
149.02356	0.8
149.05984	0.9
151.03906	0.5
153.01784	0.5
163.03929	0.5
168.05702	0.3
169.06491	0.5
171.08105	0.2
175.03932	2.2
176.04742	0.5
181.06416	0.2
183.07967	0.2
185.05994	0.4
186.06746	0.7
187.07555	0.2
196.05263	0.3
197.06009	2.0
198.06776	0.4
199.04042	0.2
200.04652	0.5
201.05461	0.6
211.07582	0.4
213.05464	1.3
214.06221	1.8
215.07201	0.3
224.04723	1.4
225.05486	12.3
226.06065	0.3
227.03433	0.8
227.07014	0.3
229.08626	7.0
239.07101	0.3
241.04875	0.3
241.08757	0.4
242.05754	9.1
252.04166	2.5
253.04947	1.3
253.08690	0.3
257.08099	2.5
267.06583	1.5
269.04526	1.3
270.05243	6.0
270.08273	0.3
285.07593	100.0
286.07870	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0751
Annotation	Acacetin
Peak:m/z	Relative Intensity
57.41438	0.0
67.01834	0.2
68.99802	0.1
69.20195	0.5
90.04712	0.0
93.09781	0.0
105.07027	0.1
118.04187	0.0
133.06499	1.6
135.04443	0.2
152.01031	0.2
153.01828	2.0
159.04434	0.3
168.05637	0.1
171.02881	0.1
173.96956	0.1
177.05481	0.1
183.08032	0.1
201.05566	0.1
211.07506	0.1
213.05542	0.1
214.06226	0.1
229.08621	0.3
239.07130	0.2
241.05005	0.1
242.05742	29.8
243.06189	0.2
257.08099	0.1
261.07321	0.1
268.07294	0.1
270.05237	15.0
271.05664	0.1
284.06863	0.1
285.07581	100.0
286.07944	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0745
Annotation	Acacetin
Peak:m/z	Relative Intensity
58.05134	0.2
61.43851	0.2
67.01855	0.4
68.99786	0.3
69.39513	1.6
70.68789	0.2
71.11123	0.2
81.03413	0.2
81.07035	0.2
88.52132	0.2
105.07002	0.2
133.06506	2.1
134.03554	0.2
135.04378	0.5
137.02306	0.3
152.12383	0.2
153.01828	3.0
157.80533	0.2
159.04395	0.5
171.02873	0.4
193.12233	0.2
199.37976	0.2
225.05489	0.2
239.07098	0.2
242.05746	29.1
243.06250	0.3
253.04910	0.5
269.04434	0.3
270.05246	15.8
285.07581	100.0
286.07904	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0759
Annotation	Acacetin
Peak:m/z	Relative Intensity
53.03938	0.3
55.05513	0.4
57.03419	0.4
65.03620	0.4
65.03945	7.2
67.05493	0.8
68.99780	0.5
69.07064	0.4
70.47472	0.2
70.59481	0.5
79.05487	0.5
81.03399	0.8
81.07066	1.4
83.04969	0.3
83.08601	0.5
83.51189	0.2
85.06515	0.3
91.05477	0.8
93.07044	0.6
95.04958	0.7
95.08590	0.6
97.06559	0.2
97.99264	0.2
103.64596	0.2
105.07047	1.1
107.04952	0.4
107.08605	0.4
109.06536	0.2
111.04429	0.8
119.08553	0.7
121.02866	0.2
121.03996	1.0
121.06476	0.3
121.10132	0.4
123.11671	0.5
125.05986	0.5
131.08601	0.3
133.06459	0.2
135.04399	0.6
147.11725	1.1
149.05998	0.3
150.03142	0.3
151.03920	1.6
153.01855	0.3
163.03908	0.4
165.12759	0.5
168.04152	0.5
175.11133	0.3
184.05225	0.2
193.04984	8.2
193.06747	0.5
193.12280	0.8
197.06168	0.3
200.04726	3.4
202.06261	0.4
211.13399	0.3
215.07120	0.3
228.04176	1.3
229.08626	0.4
242.05760	10.1
243.06543	8.1
249.18465	0.2
257.08054	0.6
270.05255	5.7
285.07584	100.0
286.07925	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0757
Annotation	Acacetin
Peak:m/z	Relative Intensity
53.03925	0.2
55.05487	0.6
55.86335	0.2
57.03408	0.5
63.49923	0.2
67.01856	0.2
67.05514	1.2
68.99803	0.4
69.03418	0.4
69.07063	0.3
71.04969	0.5
71.07546	0.4
79.05492	1.0
81.03422	6.8
81.07065	1.6
83.04978	0.4
83.08620	1.8
85.02893	0.5
85.06499	0.2
91.05477	1.4
93.07059	0.9
95.04975	1.7
95.08620	0.8
97.02896	0.2
103.05437	0.2
105.07046	1.1
107.04942	0.5
107.08562	0.5
109.06460	0.3
109.10154	0.4
111.08112	0.8
117.70227	0.2
119.08578	1.2
121.06476	0.3
121.10159	0.9
123.08059	0.2
123.11672	0.3
129.06984	0.7
131.08556	0.7
133.06499	1.9
133.10109	0.4
135.04401	0.6
142.07802	0.3
143.08588	0.2
145.10118	0.2
147.11667	0.9
149.09633	0.3
153.01826	3.3
157.10162	0.8
159.04398	0.8
163.11140	0.2
165.12730	0.3
171.02878	0.6
175.11227	1.1
177.05502	0.2
193.12241	4.3
197.06000	0.3
211.13295	1.0
214.39934	0.2
225.05412	0.4
225.09116	0.3
229.08673	0.2
239.07047	0.3
242.05748	28.2
243.06340	0.3
253.04941	0.2
253.08575	0.3
257.08090	0.3
267.15918	0.9
269.04407	0.5
270.05237	15.3
285.07578	100.0
286.07870	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0758
Annotation	GENISTEIN, 8-METHYL
Peak:m/z	Relative Intensity
50.07108	0.1
53.56886	0.1
55.01852	0.2
57.08888	0.1
58.89308	0.1
65.03950	0.2
67.01861	0.2
68.99809	0.1
70.27467	0.6
72.40585	0.1
81.03419	0.3
91.05486	2.8
95.04974	0.4
103.05463	0.1
105.03378	0.2
107.04946	0.5
111.04439	0.4
119.04943	1.0
121.02852	0.4
123.04446	0.3
124.01562	0.3
125.02351	0.2
131.04907	0.4
133.02856	0.3
135.04401	0.8
137.02307	0.2
141.06982	0.7
145.02843	1.8
151.03897	0.3
153.06926	0.2
155.08583	0.2
158.07266	0.4
159.04427	1.3
163.03912	3.4
167.03416	8.5
168.05693	0.8
169.06499	1.1
170.07321	0.1
173.09550	0.2
179.03371	0.5
181.06490	0.2
183.07980	0.8
186.06805	0.9
187.03911	0.2
189.26743	0.1
196.05185	0.5
197.04385	0.2
197.06027	1.0
198.06816	0.4
201.09114	0.8
211.07518	1.1
213.05505	0.2
214.06235	1.8
224.04666	1.4
225.05386	0.5
226.06400	0.2
227.06987	0.2
229.08609	7.5
239.06999	0.4
239.29068	0.1
241.04965	0.5
241.08661	0.2
242.05754	7.8
243.06328	0.2
252.04198	0.4
253.04951	0.2
257.08096	4.1
267.06528	1.2
269.04370	0.2
270.05228	1.8
285.07584	100.0
286.07913	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0757
Annotation	Acacetin
Peak:m/z	Relative Intensity
68.99792	0.3
69.38900	1.7
73.80726	0.2
105.06996	0.2
132.25146	0.2
133.06511	1.7
141.93152	0.2
153.01836	2.1
159.04395	0.3
178.82312	0.2
187.13837	0.2
208.96565	0.2
242.05748	31.2
243.06332	0.4
270.02246	0.5
270.05246	15.4
285.07587	100.0
286.07858	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.076
Annotation	Biochanin A
Peak:m/z	Relative Intensity
53.03935	1.2
55.01871	0.9
55.05512	2.5
57.03441	2.9
65.03956	0.2
65.54182	0.3
67.05176	0.4
67.05507	4.9
68.99783	0.5
69.03426	0.8
69.07073	1.5
69.99432	1.1
71.04979	1.1
75.04487	0.3
79.05497	4.8
81.03421	37.4
81.06593	0.3
81.07063	5.5
83.04988	2.2
83.08627	8.1
83.09125	0.5
85.02914	2.1
85.06544	0.4
89.03964	0.2
91.05485	6.6
93.07045	3.3
93.46667	0.3
95.04971	10.9
95.08595	1.7
97.02880	1.0
97.06521	0.7
97.10154	0.7
103.05510	0.3
105.07039	4.7
107.04961	2.0
107.08616	1.5
109.06510	1.1
109.10155	0.8
109.10876	0.3
111.04427	0.5
111.08088	4.7
113.06026	0.5
115.05461	0.4
117.07055	0.3
119.04945	1.0
119.08580	4.3
121.06512	2.3
121.10148	2.2
123.04439	0.3
123.08087	0.5
123.11683	0.7
125.09686	0.6
127.09318	0.3
129.07005	3.2
131.08577	3.3
133.02823	0.3
133.06502	2.6
133.10173	1.6
134.03624	0.3
135.04454	0.6
135.08072	0.3
135.11682	0.3
137.02350	9.0
137.05922	0.4
137.09631	0.3
141.07004	0.4
142.07784	1.0
145.10170	0.3
147.08051	1.1
147.11700	3.4
148.05196	0.5
149.02390	0.3
149.05988	0.7
149.09641	1.7
151.03877	0.5
153.01816	1.6
155.75764	0.3
157.10152	3.6
159.04456	0.3
165.06981	0.3
165.12772	1.4
175.03871	1.3
175.11186	5.1
176.04681	0.4
186.06635	0.3
193.06430	0.4
193.12251	21.7
197.05969	1.2
200.04749	0.6
201.05457	0.4
203.17911	0.3
210.06831	0.4
211.07581	0.5
211.13304	3.9
213.05508	0.8
214.06219	1.0
220.83644	0.3
224.04668	0.7
225.05478	6.9
225.09081	0.8
227.03513	0.6
229.08589	4.0
239.07048	0.5
241.08623	0.4
242.05750	17.7
252.04260	1.8
253.04950	0.9
253.08650	1.2
257.08142	1.6
267.06644	0.6
267.15924	6.6
269.04398	0.5
270.05246	9.4
285.07581	100.0
285.16769	4.8
286.04620	0.6
286.07834	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74082	0.3
53.03928	0.4
53.62690	0.3
55.05506	0.9
57.03414	0.6
67.05492	1.5
69.07053	1.5
70.02968	2.4
70.06577	1.0
71.44746	0.8
72.04485	0.7
79.05485	2.6
80.05043	0.5
81.03401	1.4
81.07059	2.3
82.06578	0.6
83.08615	0.6
84.08138	0.5
85.02919	0.6
85.06523	0.4
86.09692	1.0
86.25955	0.4
88.03983	1.3
90.05528	0.6
91.05466	0.8
93.07057	5.0
94.06565	0.8
95.04949	0.6
95.08601	2.3
96.08156	0.4
98.06030	1.0
105.07005	1.2
105.21919	0.3
106.06542	0.7
107.08590	2.5
108.08117	8.5
108.15045	0.4
109.08889	0.4
109.10132	0.8
111.08083	0.6
112.07616	0.4
112.55250	0.4
116.03413	1.8
118.04988	0.6
119.08545	1.0
121.10149	0.5
122.08864	0.6
122.09671	6.2
123.10436	1.2
123.11685	0.5
124.07596	0.4
127.03885	0.5
133.10138	0.8
135.11691	4.0
136.11205	2.5
137.13269	0.6
138.05487	0.7
138.09135	0.5
140.07056	0.3
145.04918	0.4
150.05511	0.4
150.12775	10.4
151.13577	7.4
151.14793	0.4
152.10730	0.5
153.12715	0.5
161.13341	0.5
164.14378	1.0
166.15886	0.9
168.06578	3.9
176.14362	0.6
178.15910	3.8
180.10124	0.5
184.09660	0.5
186.11232	0.4
191.62871	0.3
192.13838	0.3
193.12289	0.7
194.15410	2.8
196.09784	0.7
198.11203	0.5
210.11319	1.9
210.14899	3.0
211.12088	0.7
222.14827	0.9
240.15950	100.0
241.16272	0.6
242.05717	0.8
242.17503	1.1
252.13570	0.5
261.85126	0.4
266.17661	0.6
284.18573	79.9
285.04642	0.6
285.07620	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	284.1858
Annotation	Supinine
Peak:m/z	Relative Intensity
55.05505	1.1
65.19507	0.3
66.45802	0.3
67.05508	1.3
69.07066	1.1
70.02968	2.2
70.06603	0.6
70.62056	0.9
70.80112	0.3
72.04473	0.4
74.06126	0.3
79.05493	2.1
81.03410	0.9
81.07053	2.0
82.06583	0.4
83.08622	0.7
85.02900	0.6
88.03980	0.9
91.05466	0.9
93.07043	5.0
94.06572	0.7
95.08633	2.2
96.08150	0.5
98.06062	0.5
102.05505	0.4
105.07040	1.0
106.06569	0.5
107.08589	2.2
108.08130	7.5
109.08900	0.8
109.10148	0.8
110.09680	1.1
111.08103	0.4
116.03466	1.2
118.05029	0.7
119.08565	0.7
121.10152	0.8
122.09675	6.2
123.10463	1.8
123.11761	0.7
124.11290	0.5
133.10127	1.0
135.11703	4.7
136.11217	2.8
137.13261	0.7
140.10710	0.6
150.12787	10.9
151.13570	7.3
152.10696	0.6
153.12737	0.7
153.15154	0.5
155.51208	0.4
156.06627	0.5
164.14363	1.1
166.12309	1.1
166.15926	0.8
168.06619	1.2
172.09659	0.4
176.14275	0.3
178.15924	4.7
180.10234	0.4
184.09801	0.5
186.11266	1.2
193.12306	0.6
194.15364	3.5
196.09734	0.6
198.11328	0.4
208.13301	0.4
210.11273	1.9
210.14874	3.5
211.12038	0.6
212.16434	0.6
222.14972	0.4
238.14397	1.3
240.15956	100.0
241.16263	1.0
242.05646	0.5
242.17535	5.5
254.17589	0.4
270.05386	0.5
284.18573	72.3
285.07620	2.4
285.18893	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18441	0.3
55.05499	1.3
56.05025	0.6
57.03429	0.6
57.07066	0.3
67.05482	1.3
69.03413	0.5
69.07070	1.6
69.07380	0.3
70.02948	2.2
70.06575	1.1
70.51923	0.3
71.53122	0.4
72.04519	0.7
79.05492	2.1
79.36407	0.3
80.05011	0.4
81.03424	2.7
81.07062	2.7
82.06571	0.5
83.08599	1.2
85.02898	0.5
86.06094	0.3
86.09698	0.5
88.03971	1.1
90.05531	0.3
91.05482	1.5
93.07047	5.1
93.64880	0.3
94.06562	0.5
95.04949	1.0
95.08614	2.1
98.06052	0.6
105.07000	1.4
107.08598	2.6
108.08125	8.4
108.08862	0.5
109.08881	0.9
109.10143	0.8
110.06040	0.8
110.09666	1.0
111.08052	0.6
112.07550	0.9
116.03424	0.9
118.04980	0.7
119.08570	0.8
121.10155	0.4
122.09673	6.7
123.10440	1.3
123.11724	0.3
124.11265	0.4
126.09261	0.3
127.03918	0.4
133.10117	0.5
134.09692	0.4
135.11702	3.5
136.07492	0.4
136.11217	2.5
137.13193	0.8
138.09128	0.5
140.10687	0.7
142.18973	0.3
149.12016	0.4
150.11644	0.6
150.12794	11.0
151.13567	6.4
151.14717	0.5
152.10709	0.4
153.12724	0.4
153.15129	0.4
156.06532	0.4
158.08128	0.4
162.05618	0.4
163.07500	0.4
164.14412	1.5
166.15889	0.9
168.06560	1.2
172.09645	0.7
178.15913	4.4
180.10219	0.7
182.15419	0.4
186.11241	1.1
193.12236	1.3
194.15433	3.3
196.09676	0.8
198.11267	0.3
208.13280	0.5
210.11223	1.8
210.14882	2.9
211.12009	0.4
212.12817	0.3
218.92395	0.3
222.14873	0.4
229.03786	0.3
238.14322	0.7
240.15953	100.0
241.16315	0.5
242.05762	0.9
242.17546	4.6
267.15973	0.7
270.05414	0.5
284.18576	70.7
284.29416	0.9
285.07507	3.4
285.10522	0.4
285.18802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
53.48561	0.3
53.63980	0.3
55.05499	0.9
57.76252	0.4
67.05491	1.4
69.07061	1.1
70.02966	2.1
70.06582	0.9
71.10238	0.6
72.04514	1.0
72.08134	0.4
74.02428	0.4
79.05499	1.8
81.03369	0.4
81.07058	1.8
82.06565	0.6
83.08607	1.0
84.08149	0.5
85.02853	0.4
88.03999	1.2
91.05473	0.6
93.07050	4.3
95.05000	0.5
95.08614	2.2
96.08127	0.7
98.06023	0.8
105.07036	0.7
106.05000	0.5
107.08591	2.9
108.07436	0.5
108.08128	8.1
109.06518	0.3
109.08887	0.8
109.10159	0.6
110.06031	0.3
110.09666	1.1
110.36213	0.3
112.07602	0.6
116.03487	0.9
118.05005	0.7
119.08567	0.9
121.10149	0.6
122.09673	6.2
123.10459	0.9
133.10117	0.5
134.09650	0.4
135.11707	3.6
135.34663	0.4
136.11250	2.3
137.13263	0.8
139.07603	0.5
140.10735	0.6
150.12781	11.4
150.13988	0.6
151.13579	6.8
151.14792	0.5
152.10678	0.6
153.12680	0.5
153.15137	0.4
164.14346	1.2
166.12283	0.9
166.15903	1.1
168.06566	1.3
172.09671	0.7
176.14359	0.5
178.15932	5.1
180.10202	1.0
184.09734	0.5
186.11304	0.8
193.12270	0.6
194.15376	2.7
195.16121	0.4
210.11250	2.0
210.14926	2.6
212.16589	0.5
222.15005	0.5
238.14400	1.1
240.15952	100.0
241.16214	0.4
242.17528	6.0
284.18573	71.9
285.07620	2.9
285.18774	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02569	0.3
52.83172	0.2
55.01874	0.4
55.05511	0.4
56.05029	1.6
56.96571	2.6
57.03433	0.8
58.06608	0.7
60.04523	0.7
61.02917	0.8
62.50017	0.3
67.05518	0.5
69.03428	1.6
69.07078	0.3
69.89470	1.2
70.02917	0.3
70.06596	16.1
71.01352	0.3
72.04504	0.5
72.08141	0.3
73.02911	0.8
79.75047	0.3
81.03429	0.4
82.06573	0.8
83.04976	0.5
83.40317	0.3
84.04539	0.4
84.08137	1.3
85.02903	3.6
86.75683	0.3
87.04462	0.5
87.17699	0.3
88.07092	0.4
88.07635	7.1
94.98742	0.3
96.04501	0.5
97.02889	2.2
97.07620	0.5
98.06068	3.0
98.97588	4.9
99.04463	0.4
104.03684	0.3
109.02893	0.8
109.05159	0.5
109.07649	0.7
110.01340	0.3
110.03523	2.4
110.06064	1.5
110.97555	0.3
111.09200	0.9
111.31947	0.3
112.07607	0.5
112.09992	1.1
112.99113	0.4
114.05534	0.6
115.03935	0.3
115.08752	0.3
116.07097	1.0
116.98616	1.5
119.01904	0.4
119.04939	0.3
122.06019	0.5
124.03422	0.5
126.05537	0.3
127.03920	0.7
128.00240	0.4
128.07082	12.1
128.98602	0.7
130.08644	0.3
131.01860	0.3
133.57439	0.3
135.03032	6.2
137.05901	0.3
138.05470	2.4
139.08672	0.4
140.25705	0.3
143.00114	0.4
143.01895	0.4
145.04985	0.6
146.01323	0.3
146.08104	0.5
151.03918	0.3
151.08673	0.3
152.05682	100.0
153.04094	3.8
153.06584	0.4
155.04616	0.9
156.06593	0.7
158.99658	0.8
164.02255	0.3
164.07086	1.0
166.04965	0.5
167.54500	0.4
169.09720	4.4
170.08215	0.5
174.99182	0.3
177.00679	0.7
177.04155	0.3
179.08182	0.4
182.08141	0.4
184.06056	2.7
187.04971	0.7
187.10751	1.5
189.00652	0.4
196.05496	2.6
196.54852	0.6
197.09236	8.6
201.00818	0.6
203.57315	0.7
207.05067	0.3
211.03929	0.4
215.10252	3.6
219.01756	1.0
227.06709	0.6
229.05075	0.4
237.02888	0.6
243.13396	2.5
260.99683	0.4
261.03018	1.1
262.05939	1.1
266.14954	0.4
284.16058	90.4
284.60294	0.4
285.16388	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.7
56.05049	1.0
69.03427	1.3
69.07055	2.1
70.06592	1.6
72.08156	0.8
77.73945	0.6
79.05499	0.7
81.03419	1.7
83.06110	2.0
84.04505	49.9
84.08141	1.0
85.02420	1.0
85.02904	6.6
86.09697	1.0
87.08090	1.0
88.07687	0.7
91.05503	1.0
93.07051	1.4
95.07346	0.7
97.02885	2.8
99.04463	0.8
101.07139	5.4
102.05508	2.2
105.01866	2.9
105.07063	1.4
109.02847	1.1
110.05999	1.1
110.09685	1.0
113.93145	0.7
121.06484	0.8
123.06833	1.2
126.09169	10.5
127.03906	4.0
129.06602	11.4
130.05006	72.3
136.07558	1.2
137.06068	0.8
138.09142	100.0
145.04971	2.9
147.07651	57.8
152.05692	1.6
152.07022	0.9
155.11803	4.0
157.30074	0.7
171.72099	0.9
221.12859	6.6
231.05008	0.9
242.05786	2.7
266.10486	0.8
266.14813	1.5
267.13577	0.9
270.05319	1.7
284.11087	1.9
284.16061	28.3
284.29462	4.8
285.07587	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	284.0992
Annotation	Guanosine
Peak:m/z	Relative Intensity
50.70850	0.2
51.34513	0.2
55.01881	0.4
55.05517	0.3
56.05037	1.0
56.96560	1.6
57.03439	0.9
58.06587	0.4
59.05012	0.2
60.04527	0.5
61.02914	0.5
69.03425	1.4
69.07081	0.3
69.81393	1.0
70.06595	9.2
72.04504	0.4
73.02912	0.8
81.03435	0.4
81.07062	0.3
82.06580	0.5
84.04484	0.3
84.08171	0.9
85.02904	2.8
86.06086	0.2
87.04475	0.4
87.05598	0.2
88.07632	5.0
90.05562	0.5
91.05515	0.3
95.04990	0.2
95.06072	0.3
96.04494	0.3
97.02881	1.2
97.07658	0.4
98.06073	1.9
98.09641	0.2
98.97591	3.0
99.04460	0.2
100.07614	0.5
101.00878	0.4
102.96841	0.2
107.08581	0.2
109.02859	0.4
109.05127	0.4
109.07680	0.5
110.03531	1.8
110.06046	1.1
110.97598	0.6
111.04459	0.3
111.09202	0.3
111.85824	0.2
112.07632	0.5
112.10004	0.5
112.99117	0.3
114.05528	0.6
115.03865	0.2
116.07099	0.6
116.98625	0.8
119.01884	0.6
119.78609	0.2
122.02728	0.3
122.05981	0.3
126.05446	0.2
127.03938	0.7
127.08742	0.2
128.00217	0.2
128.04567	0.6
128.07082	7.7
128.98581	0.3
130.08635	0.4
131.01900	0.2
135.03021	6.2
136.06227	0.3
136.07524	0.2
138.05507	1.8
139.03944	0.2
139.08676	0.4
140.07071	0.2
141.10287	0.2
143.00154	0.3
143.01956	0.2
145.04984	0.2
146.01251	0.3
146.08104	0.4
146.99617	0.2
150.05405	0.2
151.08620	0.3
152.05679	100.0
153.04086	5.2
153.05957	0.2
155.00174	0.3
155.04657	0.2
156.06578	0.4
157.03477	0.3
158.99667	0.6
164.07082	0.8
166.05002	0.5
169.09729	3.0
170.08098	0.4
170.99593	0.2
173.01227	0.2
177.00688	0.2
182.08119	0.3
184.06050	1.6
186.04355	0.3
187.10774	0.7
188.09215	0.3
189.00653	0.3
196.05450	1.1
196.54652	0.2
197.09219	5.9
197.11046	0.3
201.00667	0.5
201.02426	0.3
203.03937	0.3
204.05450	0.2
206.10242	0.2
215.10278	2.2
219.01782	0.8
224.04588	0.3
237.02757	0.5
242.03300	0.2
243.01671	0.3
243.13303	1.1
260.99561	0.2
261.02991	0.7
261.10138	0.2
262.06097	1.0
266.15060	0.4
274.57166	0.2
279.00522	0.3
284.16046	53.5
284.60318	0.2
285.07758	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30231	0.1
56.96576	0.5
71.51044	0.1
71.51442	0.1
71.95255	0.1
82.99859	0.3
98.97589	6.6
99.97916	0.2
100.97195	0.3
100.97964	0.2
101.00887	3.0
116.98634	3.0
118.99082	0.1
119.01930	4.9
120.02075	0.1
122.97819	0.2
134.99699	0.9
137.02950	0.5
140.98804	0.7
144.85994	0.1
153.00752	0.2
155.00082	0.1
157.01935	0.1
158.99901	2.0
165.99678	0.4
175.03088	0.3
177.00963	11.1
182.99828	0.9
183.01282	0.1
192.70189	0.1
193.04150	0.1
199.03098	0.2
201.00945	2.8
201.02827	0.2
209.98662	0.2
217.04123	2.5
218.94589	0.4
219.02016	18.2
219.43179	0.1
220.02226	0.2
221.01857	0.1
225.00859	2.6
227.99556	0.1
233.20587	0.1
234.00627	0.2
236.95589	0.1
236.98607	0.1
237.98750	0.9
243.02007	10.0
260.00146	0.3
260.04684	0.3
261.03067	100.0
262.03134	1.0
263.03522	0.3
266.03650	0.4
275.04666	0.1
278.01093	0.2
279.00632	3.4
284.00064	0.4
284.04663	3.6
284.29401	0.3
302.01309	0.7
302.05411	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	283.2058
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
53.03939	4.7
55.01870	2.8
55.05516	13.5
57.03440	3.6
57.07072	4.4
65.03933	2.5
67.05178	2.4
67.05508	25.0
67.97626	1.6
69.03420	6.7
69.07073	14.7
71.05001	21.8
77.03889	2.1
79.05076	1.9
79.05499	29.0
79.46547	1.6
81.07065	50.4
83.04986	9.5
83.08621	8.5
85.06536	2.7
89.06008	4.3
91.04969	2.6
91.05492	31.3
93.06483	3.0
93.07050	59.0
95.04980	12.1
95.08609	32.2
97.06532	8.6
97.10184	2.2
98.20801	4.3
103.05463	3.4
105.04467	1.8
105.07040	67.5
107.04926	2.3
107.08604	47.5
109.06530	10.7
109.10165	20.4
111.04389	1.8
111.08074	3.3
115.05439	2.7
117.07048	15.6
119.08586	41.1
121.06550	10.1
121.10152	100.0
123.08073	10.4
123.11705	6.2
125.09615	2.8
128.06213	5.8
129.07011	8.5
130.07777	7.2
131.07596	2.3
131.08585	41.6
133.06462	1.6
133.08617	2.6
133.10152	38.8
135.08070	8.7
135.11685	15.0
137.09520	3.2
141.07010	2.9
142.07767	4.3
143.08571	24.9
144.09297	3.5
145.10132	54.1
146.07364	2.1
147.08067	3.9
147.11702	11.5
149.09647	2.1
149.13295	3.5
153.12770	2.8
155.08478	4.0
156.09378	4.3
157.10161	17.0
158.10951	8.7
159.07994	3.6
159.11722	12.7
161.09633	34.1
161.13292	5.0
161.63713	1.6
163.11201	11.9
163.14847	3.7
167.08511	2.7
169.10121	3.4
170.10945	2.0
171.11746	13.1
173.09741	3.2
173.13281	81.4
175.11226	5.1
175.14836	7.4
179.08531	2.3
180.09309	1.7
181.10121	6.4
181.12198	2.2
183.11652	5.1
185.09566	1.8
185.13260	8.0
187.14836	11.0
189.12798	2.4
191.14345	9.1
192.03944	1.6
193.10129	2.7
194.10944	3.2
195.11699	6.8
197.13193	4.9
199.14816	6.0
201.12762	2.0
201.16373	3.7
208.12463	2.0
209.13380	11.5
211.14844	2.4
213.12839	3.3
213.16438	2.4
215.14302	2.7
223.14809	6.1
225.16454	4.8
227.12549	3.2
227.14400	4.9
244.97522	1.9
255.21109	5.1
265.19562	14.7
276.57040	1.9
283.09625	5.9
283.15469	6.7
283.20563	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1542
Annotation	Mairetolide H
Peak:m/z	Relative Intensity
53.03938	2.2
55.01875	7.3
55.05507	8.5
57.03436	17.2
63.72701	1.3
65.03944	2.8
65.91267	1.2
67.05509	61.5
68.74612	1.2
69.03426	2.2
69.07071	14.2
70.70788	2.6
71.05011	9.5
79.05499	52.1
81.03405	3.4
81.07065	42.5
83.04995	10.1
83.08606	3.3
85.02859	1.4
85.06553	7.3
87.04457	1.3
88.11143	1.5
91.05490	31.8
93.07051	37.9
95.04967	15.8
95.08624	7.6
97.06541	31.1
99.08097	2.0
100.31133	1.3
105.07046	16.3
107.04962	100.0
107.08606	24.0
109.06493	2.9
109.10197	2.1
111.04442	2.2
111.08097	2.0
117.07030	14.8
118.32260	1.2
119.08586	22.7
121.02856	4.8
121.03667	1.5
121.06506	4.4
121.09322	2.8
121.10156	41.2
123.04441	4.7
123.08052	1.6
123.11670	1.6
125.05978	4.6
129.06998	5.4
130.07845	2.5
131.04942	6.8
131.08586	17.8
133.10115	1.5
135.08067	2.3
135.11693	23.0
135.83310	1.4
143.08586	1.6
145.06499	8.3
145.10127	42.3
147.08034	3.7
147.11702	4.2
149.09619	12.2
155.08554	12.0
158.07333	2.2
163.11192	36.2
165.12697	2.2
173.09637	43.2
181.12225	3.9
191.08934	3.1
191.10678	64.3
209.11749	17.3
215.84225	1.3
227.12779	20.3
239.16405	17.2
265.14383	18.5
283.10199	2.6
283.15417	53.4
283.20401	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60783	0.7
53.03931	2.3
55.01880	3.8
55.05515	10.1
55.37151	0.7
57.03444	11.2
57.07070	0.7
65.03923	1.2
67.05506	17.9
68.05848	1.3
69.03416	2.1
69.07074	6.4
69.41204	4.6
69.41618	1.4
71.04976	3.4
71.81930	0.8
73.02901	1.3
79.05498	25.9
80.05811	1.6
81.03430	3.8
81.07062	17.5
82.07383	1.0
83.04976	3.7
83.08609	8.5
85.06541	1.2
86.06063	1.1
86.59730	0.8
87.04453	2.6
89.31738	0.8
91.05487	9.8
93.07051	32.0
94.07380	0.8
95.04972	6.8
95.08611	36.4
96.08939	4.0
97.02873	2.8
97.06515	3.1
97.10172	0.6
99.04433	3.3
103.05492	3.9
104.05794	2.8
104.07088	2.5
105.07025	7.2
106.07382	1.2
107.04285	1.3
107.04964	13.6
107.07890	1.5
107.08601	26.0
108.05258	1.7
109.06519	1.6
109.10155	3.8
110.10484	2.7
111.04441	1.8
111.08057	1.3
113.06034	0.7
117.07008	9.1
119.08607	9.9
120.08903	1.7
121.06534	5.5
121.10159	11.1
125.05968	2.5
130.07758	2.0
131.04936	1.8
132.05229	0.9
133.10127	2.5
134.09645	2.9
135.08070	2.2
135.09985	3.1
135.11694	38.1
139.07487	1.5
143.08635	1.5
145.10133	24.1
152.15163	0.9
153.12628	1.0
163.11188	51.6
173.09554	1.9
181.12248	13.8
191.10573	1.0
193.04060	0.8
209.11783	2.7
227.12798	100.0
283.06165	2.5
283.10309	1.2
283.15375	49.3
283.20917	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	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45298	1.7
53.03954	2.4
55.01875	3.7
55.05520	12.3
57.03439	10.2
57.07072	2.5
67.05509	20.0
69.07069	10.3
71.04977	3.4
71.53860	2.1
73.02901	2.6
79.05504	22.5
81.03440	2.0
81.07059	18.9
81.72112	1.6
83.04966	4.8
83.08618	9.9
88.04393	1.8
89.06022	7.4
91.05490	10.1
93.07047	36.5
95.04963	9.0
95.08616	35.7
97.02893	6.9
97.06515	4.2
99.73339	1.8
105.07049	9.2
107.04972	10.7
107.08602	25.0
109.06516	3.9
109.10144	5.0
111.04443	3.2
111.08075	2.4
117.07008	8.1
119.08578	8.1
121.06519	4.5
121.10143	11.6
125.06017	3.2
129.07028	2.3
130.07692	2.3
131.08653	2.6
133.10132	3.6
135.08034	3.3
135.11711	37.3
136.24565	1.7
139.07562	3.0
145.10135	25.6
153.12718	2.4
163.11186	57.4
173.09624	3.8
181.12222	14.5
185.13225	2.0
191.10805	2.4
209.11774	3.4
212.73375	1.7
227.12798	100.0
251.03354	1.8
255.15953	4.9
271.53256	1.9
283.05859	2.3
283.15427	36.6
283.20297	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60450	0.8
53.03926	2.0
53.26743	0.8
55.01848	3.3
55.05518	11.6
57.03444	10.3
57.07062	2.5
60.57287	0.9
67.05193	1.0
67.05508	15.5
69.03407	1.3
69.07082	7.8
69.28487	8.5
71.04970	1.9
73.02902	1.8
75.03667	1.0
79.05500	26.9
81.03380	2.6
81.07058	18.2
83.04980	6.6
83.08212	1.0
83.08624	8.6
89.06016	2.2
91.05493	8.9
93.07048	37.5
95.04976	6.8
95.08617	35.3
97.02862	3.4
97.06501	3.8
97.10146	1.9
98.21496	2.1
99.04456	4.6
103.05457	1.6
105.07039	9.2
107.04957	12.4
107.07890	1.5
107.08604	25.8
109.06467	2.6
109.10138	3.7
111.04395	3.8
111.08044	2.3
117.07054	9.7
119.08592	13.7
121.05727	1.1
121.06514	6.8
121.10163	14.7
125.05970	2.6
130.07759	2.1
131.08554	1.4
133.08598	1.2
133.10097	2.8
135.08011	2.2
135.11703	43.4
136.20032	0.9
139.07492	2.6
143.08379	1.5
145.10127	27.5
147.11674	1.8
153.12801	4.9
153.89415	0.9
155.08499	1.9
161.47554	1.0
163.11191	59.2
177.70572	0.9
181.12238	15.3
189.85283	1.0
191.10503	1.2
201.80916	0.9
209.11658	3.3
227.12799	100.0
283.15326	42.7
283.20361	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	283.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.5
57.03406	0.6
67.05505	0.6
69.07052	0.4
70.11489	1.8
79.05486	0.9
81.03417	0.6
83.93185	0.5
91.05496	0.6
91.90724	0.4
93.07052	1.0
95.08640	0.8
98.21526	0.5
107.04918	0.7
107.08545	0.6
121.10177	0.5
135.11702	0.9
145.10103	0.5
152.15115	0.4
153.12744	0.5
163.11127	1.3
217.69289	0.5
227.12825	1.5
233.11446	3.2
251.11452	0.5
265.14075	1.4
269.12378	0.7
283.15179	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01730	0.1
55.05513	0.5
55.09153	0.2
57.03432	0.2
59.05003	0.8
59.24891	0.2
61.02935	0.4
69.03416	0.2
69.07071	0.2
69.22449	0.9
69.22874	0.8
70.02953	0.2
70.06596	0.3
71.04999	8.0
74.22929	0.2
79.05499	0.4
80.42878	0.2
81.07063	2.7
83.04966	0.2
84.08154	0.2
88.03998	2.5
91.05483	0.6
93.07050	0.2
95.08575	0.2
99.08121	0.4
109.05127	0.6
110.03535	3.7
113.09650	3.8
120.08102	0.2
128.04573	1.4
134.04613	0.3
134.09654	0.2
135.03040	4.6
152.05685	100.0
153.04083	5.8
153.06024	0.3
161.62459	0.2
166.07286	1.0
232.11986	0.7
250.12958	0.6
264.16180	0.2
282.15598	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	283.0967
Annotation	7,2'-DIMETHOXYFLAVONE
Peak:m/z	Relative Intensity
53.03944	0.2
53.15576	0.1
54.15359	0.1
55.01867	0.1
55.05503	0.4
57.03434	0.2
67.05489	0.4
69.07075	0.3
69.38710	0.2
69.39117	0.9
79.05488	0.3
81.07057	0.4
83.05003	0.2
89.06043	0.2
90.04736	0.1
91.05474	0.4
93.07049	0.4
95.08602	0.4
97.06512	0.1
105.07033	0.2
107.04939	0.4
107.08588	0.2
111.04442	0.2
118.04173	1.5
119.08609	0.2
121.06509	3.5
122.03656	0.8
123.21427	0.1
128.65590	0.2
131.04907	0.2
132.05681	0.2
133.06468	0.5
135.04320	0.2
135.11732	0.3
135.64859	0.1
137.05984	0.2
145.10092	0.2
147.04396	0.3
150.03117	1.1
151.03922	1.2
163.11189	0.3
165.07007	0.3
165.87955	0.1
168.04192	2.4
169.06485	0.9
171.08081	0.1
177.05510	0.3
177.83743	0.2
178.00298	0.2
181.06508	0.7
184.08879	1.0
195.08070	0.7
195.09557	0.2
196.08870	1.0
197.05977	3.0
197.07718	0.3
197.09607	0.1
198.06754	0.4
208.05209	0.7
209.05977	0.4
211.07538	4.2
211.09473	0.3
212.08319	2.9
214.06145	0.2
223.07440	0.2
224.08261	0.2
225.05496	0.8
227.10675	7.3
227.12617	0.3
229.01501	0.2
236.04657	0.4
239.07025	2.3
240.07823	9.5
242.02528	0.1
251.02988	0.3
251.07059	5.0
252.04280	0.2
253.05000	0.2
255.10083	0.2
267.06531	8.2
268.07321	8.3
272.06757	0.2
283.09656	100.0
284.09961	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.6
55.85426	0.2
57.03437	0.5
57.12479	0.2
59.05008	1.3
61.02927	1.5
67.05523	0.2
70.06574	0.3
71.05003	3.1
71.52992	0.2
79.05503	1.0
81.07063	5.4
81.46181	0.2
87.08109	0.4
88.03970	0.3
91.05470	0.3
97.06557	0.2
99.08095	0.5
105.07047	0.3
109.05156	0.6
110.03533	3.7
113.09645	0.9
120.04514	0.2
120.08108	0.6
121.06528	0.4
128.04576	1.1
134.04561	0.4
135.03026	8.0
137.59148	0.2
138.43718	0.2
152.05685	100.0
153.04092	7.5
153.05124	0.1
166.07274	1.9
166.08553	0.3
167.05682	0.2
174.12781	0.7
192.37379	0.2
212.10326	0.8
219.10689	0.2
220.13362	1.9
232.11974	0.7
250.12987	2.6
264.14703	0.2
282.15610	33.5
283.09064	0.2
283.15836	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
55.05508	0.9
56.96552	0.5
57.03433	1.4
57.07078	0.7
57.26902	0.3
59.05004	0.5
61.02918	0.8
64.37471	0.4
67.05504	1.1
69.03423	0.9
69.07067	3.9
70.06598	0.6
71.04990	0.6
71.12565	0.7
72.08138	0.4
73.02897	0.3
74.06075	0.3
78.18722	0.3
79.05485	1.1
81.07041	0.6
83.08618	0.7
84.04543	0.3
84.08178	0.5
84.08926	0.3
85.02912	1.4
85.06538	1.1
88.03990	1.1
88.07608	0.4
91.05475	0.4
94.04057	0.5
97.02893	0.6
97.06532	2.3
97.10168	0.3
98.97602	0.5
103.07584	4.1
109.02889	0.4
119.03508	1.8
120.04488	0.3
120.06662	0.4
120.08101	1.5
121.02838	0.7
121.08434	1.9
123.07970	0.8
124.08308	0.6
129.09116	1.0
130.06589	0.4
134.09665	0.6
136.06186	100.0
137.04584	1.1
137.06677	2.3
138.05405	0.4
145.05086	0.3
146.05882	0.4
147.04456	0.4
150.07758	5.8
162.04105	1.3
163.04567	1.7
167.08971	0.7
183.06630	0.4
191.93137	0.3
201.07367	0.5
219.07924	0.5
235.95941	0.3
236.11058	0.8
247.24034	0.3
250.12999	19.8
282.10593	2.0
282.15601	52.6
282.21994	2.1
282.27835	0.9
283.15982	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01869	2.7
55.05509	3.1
56.96563	3.9
57.03439	10.2
57.07055	3.3
58.06578	2.5
59.33631	1.2
61.02927	11.5
67.05499	4.7
67.78294	1.4
69.03432	18.0
69.07063	5.1
70.06586	2.7
71.04980	4.1
71.53046	1.4
72.08146	3.0
73.02930	7.3
73.08414	1.4
79.05520	2.0
81.03412	7.6
81.07043	5.0
82.74546	1.4
83.08628	2.0
85.02907	100.0
85.06546	44.3
86.09692	1.6
87.04466	6.2
88.07663	1.8
91.03954	10.1
91.05468	2.5
93.07054	2.4
95.01344	1.5
95.04971	2.2
95.08587	1.8
97.02895	22.4
97.06544	2.4
97.10203	2.0
98.97578	7.8
99.04469	6.7
103.03948	1.5
103.07589	16.6
105.07027	1.8
109.02869	6.2
115.03931	1.5
116.98606	2.5
117.58176	1.3
120.04440	2.9
120.08071	2.7
121.06519	1.8
121.10207	2.1
123.39245	1.5
127.03924	29.0
129.10219	2.0
134.09682	4.2
136.06212	14.6
136.07562	2.8
137.05901	2.8
137.07901	1.8
138.08841	1.4
139.03896	3.3
145.04967	61.7
146.01244	1.5
147.04350	1.9
149.02353	1.3
149.13368	1.4
150.07745	18.1
158.99704	2.5
163.06021	16.3
177.00729	2.3
177.05516	1.6
184.09698	2.0
186.99214	1.4
191.05623	1.2
195.11235	1.7
211.09535	1.5
219.01779	3.3
220.13242	1.5
229.10667	10.7
237.02777	2.2
239.57796	1.2
246.05133	1.7
246.12233	1.5
263.36362	1.4
264.06177	4.3
264.13449	2.5
282.11630	3.0
282.14767	2.8
282.21799	7.1
282.27914	3.2
282.60263	4.0
300.06442	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.5
53.03938	6.9
55.01879	5.1
55.05517	33.6
56.74533	1.1
57.03444	33.7
57.07063	1.8
65.03930	3.1
67.05511	82.6
69.03429	1.5
69.07076	15.3
70.22184	3.7
71.04990	4.7
75.94844	0.9
78.76060	1.0
78.89755	0.9
79.05499	100.0
81.03426	13.2
81.07064	59.0
83.04988	34.9
83.08631	9.6
85.02906	1.8
85.06529	3.6
91.05489	62.4
93.07051	78.6
95.04980	22.3
95.08614	37.1
97.06543	7.7
97.10149	4.5
103.05473	1.0
105.04506	1.5
105.07040	44.9
107.04951	4.8
107.08603	20.9
109.06521	8.7
109.10175	8.4
111.08105	1.7
115.05459	1.6
117.07024	10.7
119.08588	28.4
121.06516	4.4
121.09268	1.0
121.10161	4.5
123.08063	10.3
127.07593	2.6
128.06247	3.2
129.07016	16.1
131.08546	2.8
133.10136	11.8
135.08098	1.4
135.11687	2.6
141.09071	1.6
143.08580	9.0
145.06502	1.2
145.10120	11.1
147.08038	3.4
147.11696	46.8
149.02362	1.8
161.09589	7.5
161.13274	13.9
163.11145	2.2
164.97343	1.0
171.11703	37.8
185.03206	1.1
189.12769	13.2
207.13828	19.0
281.17487	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	281.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.1
53.03948	8.6
53.71035	1.3
55.01866	4.6
55.05513	36.7
55.05784	2.1
57.03441	36.3
57.07085	1.9
65.03953	4.2
67.05510	95.8
69.03432	2.7
69.07070	19.3
71.04999	3.8
73.06550	2.8
79.05499	100.0
81.03426	12.9
81.06586	3.2
81.07061	60.0
83.04984	32.1
83.08618	9.3
85.06538	3.7
87.04464	1.4
89.25413	1.3
91.04900	2.4
91.05486	69.7
93.07049	71.1
95.04975	26.0
95.08612	44.2
97.06514	6.6
97.10168	6.3
98.20774	2.7
99.08051	1.4
105.04509	2.2
105.07039	50.9
107.04953	5.9
107.08598	23.0
109.06517	12.0
109.10156	8.0
111.08086	3.0
115.05453	1.7
117.07022	9.8
119.04968	1.4
119.08585	32.0
121.06516	3.4
121.10157	6.8
123.08094	8.3
127.07604	2.3
128.06207	3.3
129.07014	18.5
131.08568	3.5
133.06477	1.9
133.10123	10.6
135.08087	5.6
135.11717	5.5
143.08568	7.0
145.10159	12.7
147.08069	4.5
147.11687	43.5
151.02820	2.3
156.09256	1.5
159.11661	2.3
161.09604	6.6
161.13232	14.5
163.11208	2.7
171.11699	35.4
188.92912	1.5
189.12769	16.6
207.13809	17.0
253.53491	1.5
281.17529	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	281.175
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03956	8.3
54.77594	1.5
55.01871	4.3
55.05271	2.5
55.05513	37.1
56.96547	2.4
57.03196	2.4
57.03442	27.6
57.07066	6.5
59.04998	1.6
62.95697	1.6
65.03944	3.8
67.05511	87.0
69.03439	3.0
69.07070	22.2
70.93084	3.4
71.04987	4.9
71.08620	3.5
73.02859	1.9
73.16566	2.0
79.05502	100.0
81.03416	19.6
81.07069	77.1
83.04989	31.7
83.08637	14.6
85.02939	2.6
85.06528	5.1
91.05486	61.4
93.07056	85.0
95.04982	28.4
95.08062	3.0
95.08617	49.4
97.02884	1.8
97.06531	6.7
97.10175	9.5
103.05482	2.7
105.04562	2.6
105.07040	53.8
107.04950	8.6
107.08602	28.3
109.06524	12.5
109.10156	10.5
111.08082	2.3
111.11651	1.9
115.05483	1.6
117.07024	8.7
119.07813	2.3
119.08596	31.6
121.06522	4.2
121.10126	8.5
123.08051	10.6
123.11756	2.3
128.06285	2.3
129.07022	20.8
131.08600	2.4
133.06508	2.4
133.10136	16.8
135.08043	3.0
135.11717	3.1
137.09654	2.2
143.08591	13.2
145.10129	14.6
147.08051	2.7
147.11710	45.3
149.02310	1.8
150.02664	2.5
151.02875	3.7
161.09654	6.1
161.13252	21.5
171.11700	34.1
189.12781	14.8
191.10634	1.7
207.13818	18.6
222.82948	1.8
250.99420	1.7
263.12744	8.6
263.16458	3.1
279.38458	2.2
281.17484	78.9
281.28470	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03950	10.1
55.01867	4.6
55.05513	35.7
57.03442	30.1
65.03928	3.4
67.05510	85.6
69.07074	16.1
70.58356	4.3
71.05006	3.1
73.00837	1.3
73.06554	1.7
79.05497	100.0
81.03423	15.0
81.07062	65.4
83.04985	36.3
83.08614	10.1
85.06529	4.9
87.04430	1.4
90.49915	1.4
91.05486	66.8
93.07050	73.4
95.04979	29.7
95.08613	41.3
97.02882	2.0
97.06537	6.7
97.10181	3.2
103.05457	1.7
105.04570	2.8
105.07042	51.0
107.04970	10.2
107.08605	21.8
109.06525	7.9
109.10142	9.1
111.08066	4.1
117.07030	9.6
119.08589	31.8
121.06525	4.2
121.10137	5.9
123.08089	9.5
127.07570	2.2
128.06258	1.7
129.07014	21.3
131.08606	2.0
133.10172	14.1
135.11684	2.8
143.08592	11.3
144.41595	1.4
145.10147	11.5
147.08031	3.4
147.11699	44.0
161.09636	4.6
161.13277	20.4
163.11160	1.9
171.11694	37.8
189.12752	13.1
207.13788	14.6
245.74991	1.3
267.69522	1.6
281.17493	72.5
301.87289	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76208	1.1
53.03951	7.9
55.01877	6.6
55.05515	31.7
56.58043	1.5
56.96561	3.6
57.03441	24.5
57.07065	4.1
63.64241	1.2
65.03928	4.6
67.05510	79.8
69.03421	4.7
69.07069	20.4
69.25325	11.5
71.04980	5.5
73.02899	1.8
73.06535	3.1
77.03917	1.6
77.86890	1.2
79.05499	100.0
81.03432	17.0
81.07062	67.0
81.96563	1.4
82.07373	1.3
83.04489	2.4
83.04986	37.0
83.08620	12.5
85.02912	4.1
85.06540	5.2
87.04472	2.2
91.05488	68.7
93.07052	75.8
95.04976	27.2
95.08614	45.1
96.44164	1.4
97.02876	3.1
97.06535	8.7
97.10166	7.2
98.97591	5.0
99.08120	2.7
100.38770	1.3
105.04510	3.3
105.07040	51.5
107.04951	8.6
107.08601	26.7
109.06528	7.8
109.10176	9.1
111.08084	2.4
113.06033	1.4
116.98590	1.8
117.07037	10.0
117.94372	1.2
119.08598	33.9
121.06513	6.1
121.10146	9.0
123.04439	3.7
123.08128	7.9
127.07533	2.0
128.06248	3.3
129.07014	17.7
131.08597	5.2
133.10141	16.3
135.08072	3.2
135.11691	5.1
137.05997	3.1
137.13274	1.8
139.07567	1.3
141.07019	1.3
143.08582	9.8
145.10164	11.8
147.08076	5.6
147.11703	46.4
149.02306	2.1
150.02660	4.0
151.02866	2.5
151.11212	1.7
161.09654	6.1
161.13260	19.3
163.07631	1.3
163.11143	2.6
165.09123	2.1
171.11700	36.5
175.07675	1.6
179.14386	1.6
182.11455	1.4
182.15417	1.9
189.12773	13.8
207.13795	17.8
245.15189	1.2
263.16556	3.0
263.20166	2.0
272.14545	2.5
273.13675	1.9
280.64633	1.9
281.14990	7.4
281.17535	76.4
282.14059	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	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
50.21256	1.4
50.90243	1.4
52.32332	1.6
53.03951	8.6
55.01867	6.3
55.05516	32.7
55.49702	1.9
56.96560	4.6
57.03154	1.8
57.03438	32.4
57.07055	1.9
65.03938	4.1
67.05509	87.4
69.03422	3.7
69.06734	1.6
69.07074	22.2
69.90171	2.8
69.90522	7.9
71.04998	3.9
72.08163	12.9
73.02884	1.9
73.06543	3.5
73.22990	1.6
79.05496	100.0
80.05026	2.6
81.03427	16.4
81.07059	70.1
83.04980	34.9
83.08633	11.5
85.06542	3.1
88.05357	1.7
91.05487	68.2
93.07050	75.0
95.04976	25.9
95.08611	42.9
97.02927	3.3
97.06522	7.9
97.10175	7.6
98.21552	1.9
98.97588	4.6
99.08072	1.9
105.07036	53.7
107.04961	8.6
107.08595	22.1
109.06528	12.0
109.10149	12.9
111.08070	2.5
115.05496	1.7
117.07021	11.1
119.08588	35.6
121.06530	3.5
121.10156	8.2
123.08059	10.0
127.07539	2.3
128.06215	2.8
129.07022	17.1
131.05446	2.1
131.08604	4.6
133.10143	16.6
135.11725	4.7
137.05455	2.7
143.08540	12.0
145.10118	12.4
147.08087	2.8
147.11694	42.6
161.09605	6.6
161.13246	21.0
165.09119	1.7
171.11697	34.0
175.68515	1.7
182.11427	4.1
189.12796	14.7
191.11925	4.8
192.13908	2.4
194.12575	1.6
200.12497	10.1
207.13808	19.1
209.13057	1.7
210.14902	3.1
220.63936	2.1
221.13046	1.7
257.14148	2.2
264.19714	5.5
266.14670	3.8
281.15234	3.7
281.17560	60.6
281.21954	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	281.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.5
55.01868	4.2
55.05515	32.4
57.03440	27.3
57.07078	1.7
65.03932	2.9
67.05508	78.7
69.03443	1.6
69.07073	19.1
70.83954	2.3
70.84312	2.7
71.04990	2.7
73.06541	3.1
77.15199	1.4
79.05495	100.0
81.03419	14.8
81.07063	64.0
83.04982	32.2
83.08619	9.5
85.06538	2.2
91.04902	1.8
91.05486	63.9
93.07049	67.0
95.04975	20.0
95.08615	40.2
97.02911	1.9
97.06518	7.7
97.10170	4.8
103.05460	2.1
105.04527	2.2
105.07039	57.8
106.07394	2.4
107.04952	8.7
107.08601	21.6
109.06499	7.5
109.10168	6.2
111.08068	3.0
117.07026	7.1
119.08591	28.1
121.06477	2.5
121.10157	6.1
123.08104	8.0
127.07566	1.4
128.06226	2.4
129.07007	19.2
131.08556	3.3
133.06485	1.9
133.10139	12.4
135.11728	4.6
143.08546	9.3
145.10129	11.8
147.08109	3.7
147.11690	42.4
161.09647	7.1
161.13258	19.8
171.11697	34.6
185.12955	1.4
189.12767	13.4
207.13818	15.4
235.17056	1.3
275.82153	1.4
281.17538	71.7
281.20935	10.5
282.17575	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03957	9.8
54.70758	1.5
55.01869	2.7
55.05513	30.6
57.03444	26.8
63.32132	1.8
65.03931	4.9
67.05508	79.3
69.03429	1.7
69.07074	18.5
70.08398	7.0
71.04988	3.2
73.06533	1.7
79.05499	100.0
81.03420	14.7
81.07063	58.9
83.04986	32.9
83.08618	10.7
85.06536	4.4
91.05483	66.2
93.07048	75.6
95.04972	27.5
95.08609	38.7
95.09193	1.2
97.06532	4.6
97.10174	5.4
105.07032	57.6
105.17538	1.6
107.04951	9.9
107.08605	23.9
109.06518	8.2
109.10146	8.0
111.08096	2.6
117.07002	9.7
119.07797	2.8
119.08591	32.0
121.06517	4.4
121.10149	5.3
123.08074	8.9
127.07583	3.1
128.06273	2.3
129.07014	16.5
131.08565	1.9
133.10141	15.3
135.11731	2.1
137.09639	2.0
143.08548	7.4
145.10103	10.9
147.08115	4.2
147.11687	43.3
161.09619	5.2
161.13271	16.7
171.11687	33.5
177.12697	2.2
189.12747	14.6
192.39279	1.7
201.05627	1.4
201.07986	1.8
207.13826	20.8
281.17490	69.8
292.51190	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	280.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
54.43077	0.3
55.05516	0.3
56.66120	0.3
57.07079	0.5
57.33448	0.3
67.05515	0.5
70.28774	0.4
70.29136	1.1
72.91318	0.4
77.03943	0.5
79.05058	0.6
79.05500	7.6
81.07059	0.3
91.05472	0.4
95.04985	1.0
95.08647	0.3
100.35877	0.3
103.05473	5.0
105.07036	97.9
118.06557	0.8
139.40405	0.3
146.09679	0.4
149.02368	1.3
150.02701	1.2
176.14371	5.8
189.81689	0.3
266.35019	0.4
280.20618	100.0
281.17435	0.4
281.20770	0.4
290.61996	0.3
300.76126	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30239	2.4
55.05505	7.5
56.05013	4.5
57.03437	5.9
57.07079	70.8
58.06662	2.7
58.21263	2.4
60.02749	2.3
63.04492	35.1
67.05499	3.9
69.03417	12.0
69.07076	3.4
70.47623	8.3
71.04976	2.7
79.05489	5.9
81.03407	4.9
81.07048	12.0
83.04980	6.2
83.08566	3.0
84.08134	5.9
85.02911	43.2
85.06565	3.5
86.09676	2.6
91.05468	8.0
93.07036	11.8
95.04982	6.0
95.08595	12.1
97.02884	8.4
97.06511	2.8
97.58488	3.0
98.97540	3.9
102.05581	2.9
105.07032	9.8
105.45426	3.1
107.04979	17.0
107.08580	8.2
108.08095	5.1
109.02882	4.4
109.10149	3.2
119.08627	5.9
119.10702	100.0
120.08128	4.1
121.06504	23.9
121.10143	5.2
123.08074	3.7
125.05988	2.9
127.03871	3.2
130.04994	5.4
131.08543	3.6
133.10141	3.8
134.31950	2.4
139.11171	7.6
149.09666	3.4
150.02870	2.8
152.14328	11.7
161.09583	4.3
162.09129	9.4
163.11258	19.8
167.10657	5.3
168.91884	3.0
174.12732	5.3
181.12303	3.8
220.13321	5.5
231.19737	2.8
238.05087	2.9
245.15344	4.2
249.09074	2.9
263.13968	4.0
263.16507	7.8
264.15985	10.3
281.10300	5.5
281.14865	5.3
281.17514	24.6
299.06360	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	280.1546
Annotation	3097B1
Peak:m/z	Relative Intensity
55.05508	5.8
56.69140	0.8
57.03189	1.1
57.03440	11.1
57.07062	2.9
58.37086	0.7
61.28402	0.8
67.05497	1.0
69.07053	1.3
69.99318	3.4
71.04987	1.1
79.05474	2.3
80.05022	1.5
81.07063	1.4
82.06576	1.3
82.07359	0.9
84.04496	1.0
91.05460	1.9
93.05762	1.5
93.07058	4.5
94.06563	3.5
95.08602	1.8
96.08186	1.5
96.08942	0.9
98.06048	0.8
100.28364	0.7
105.07018	3.1
106.06544	3.5
107.07349	1.3
107.08569	1.2
108.08158	3.8
118.06557	2.9
119.08582	2.3
120.08123	6.3
121.10134	1.0
122.05982	0.9
124.07603	5.3
130.06497	0.9
131.05849	0.8
131.07326	3.0
131.08548	0.9
132.08083	2.9
133.08852	1.7
134.06029	2.0
134.09671	10.3
135.10425	2.1
136.07576	2.9
136.11232	1.8
138.05467	0.9
138.09163	1.1
145.08875	2.4
146.09659	4.3
147.06767	0.9
148.07561	1.4
148.11211	6.2
149.02357	13.4
150.02689	12.9
150.09172	1.6
150.12816	1.8
152.07022	2.3
158.09636	1.8
159.10472	1.6
160.11230	7.8
162.09140	4.3
162.12724	1.4
164.07104	1.9
164.10770	3.9
166.04968	2.0
168.06514	2.3
170.08119	1.9
171.78758	0.8
176.10718	3.1
178.12285	7.6
180.10217	8.6
182.08145	5.8
188.10777	1.5
188.14342	1.3
191.13139	2.0
192.10219	4.1
194.11725	1.4
204.13939	2.2
206.11832	2.3
206.15202	0.8
208.09706	12.6
210.11266	9.6
216.13867	2.5
222.11290	1.3
224.12865	9.6
226.10725	4.2
232.13376	1.2
234.14906	18.6
238.10747	14.0
242.22583	0.8
252.16005	1.1
262.14374	10.6
280.15451	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.232
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03941	0.9
55.01876	1.3
55.05512	10.2
57.03439	0.8
57.07079	13.2
59.50005	0.5
65.03934	2.7
67.05507	91.2
69.07072	10.4
70.78793	0.9
71.04991	1.4
71.08632	1.1
77.03895	0.6
79.05498	11.8
79.05959	0.7
81.07059	100.0
81.24254	0.5
83.04986	1.0
83.08629	6.6
85.06544	1.5
91.05495	3.7
93.07051	12.1
95.04978	1.1
95.08610	80.3
97.06553	1.6
97.10181	3.8
99.08100	0.6
105.03362	0.8
105.07037	4.3
107.08600	8.8
109.06542	1.2
109.10159	50.9
111.08088	1.0
111.11714	0.9
115.07547	0.6
117.06990	1.7
119.08598	4.2
121.02872	3.7
121.03709	0.5
121.06534	0.7
121.10146	9.3
122.84079	0.5
123.08082	1.0
123.11714	25.0
127.07558	0.7
131.08559	3.6
133.10172	3.6
135.08061	1.2
135.11702	5.4
137.09612	2.2
137.12306	1.0
137.13268	10.3
139.11223	0.8
145.10127	2.7
147.11665	2.6
149.02348	80.6
149.09595	1.5
149.13252	3.3
151.11209	1.1
151.14830	2.4
153.09143	0.7
159.11696	2.6
161.13254	2.8
163.11218	2.0
163.14827	2.0
165.12793	1.3
165.16348	0.7
167.03407	1.0
167.10706	1.2
173.13309	3.3
175.14926	0.7
177.12778	2.1
177.16386	1.1
179.14285	1.5
181.12250	1.9
187.14819	4.0
191.14336	1.4
192.57343	0.5
195.13741	2.4
201.16393	1.0
205.08620	1.0
205.15968	1.5
209.15379	3.1
219.05730	0.9
219.21031	0.8
223.16983	3.5
237.18475	0.9
242.12177	0.4
243.21077	5.2
261.22171	6.1
279.09381	2.1
279.19730	4.0
279.23175	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	279.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92630	0.3
56.05029	0.4
57.05815	0.4
57.07077	8.3
59.04988	0.3
62.26132	0.3
65.03938	0.6
67.05500	0.7
69.03407	0.7
69.07071	10.3
70.06599	0.4
71.04974	0.4
71.08621	1.1
71.53057	0.4
72.08157	1.9
79.05485	2.8
81.07043	0.9
85.02895	0.6
86.09708	100.0
89.06136	0.4
91.05496	1.0
93.07059	0.8
94.06574	1.0
95.04945	0.5
95.08583	0.8
97.06525	0.5
98.97585	0.5
103.05489	0.4
105.03402	0.4
105.07046	1.0
105.20704	0.4
107.05009	0.6
107.08606	0.6
110.06050	1.1
111.04428	0.3
117.07040	0.3
118.32969	0.3
119.04984	0.4
119.08580	0.6
120.08118	7.8
121.02881	2.2
121.04009	0.3
121.10152	0.4
123.04419	0.7
124.07586	0.9
125.08387	1.3
131.04973	0.3
131.08585	0.8
133.10153	0.6
138.05527	0.8
139.03964	0.4
143.08611	0.4
145.06476	0.4
145.10118	0.6
147.04405	2.0
149.02350	54.2
165.05536	0.4
166.08649	5.9
167.03387	2.0
173.13403	0.3
176.14374	0.4
177.00934	0.5
177.09125	0.3
181.05020	0.3
187.07590	0.6
190.07722	0.5
191.31674	0.3
194.56723	0.3
205.08521	0.5
208.16995	1.0
215.07048	0.4
216.10255	0.4
219.08096	0.4
233.08006	0.4
233.16580	0.6
234.05872	0.6
244.09775	0.7
251.10640	0.6
261.12308	1.0
261.14850	0.6
279.09961	0.6
279.13254	2.2
279.16821	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	279.1705
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
55.05471	0.4
57.07084	6.9
63.95886	0.3
65.03941	0.6
67.05500	0.5
69.03439	0.7
69.07076	0.7
69.92271	0.4
71.08620	0.4
71.17104	0.5
71.17463	0.7
72.04514	1.6
72.08166	0.4
75.07740	0.3
79.05509	2.1
81.07032	0.5
86.09712	100.0
91.05486	0.6
93.07040	1.0
95.04987	0.6
95.08595	0.7
97.06542	0.4
103.05460	1.3
105.03378	0.6
114.05533	2.5
120.08111	40.1
121.02890	2.3
121.03990	0.3
123.04448	0.5
123.77354	0.4
132.10245	0.6
136.07584	1.2
138.09167	0.5
142.08600	0.5
147.04427	1.1
149.02354	45.4
154.08627	0.7
166.08658	11.8
167.03429	1.4
184.71230	0.4
205.08551	0.6
229.13298	0.5
233.16541	1.1
279.08594	0.6
279.17096	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	279.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86074	0.5
55.01865	1.2
55.05510	2.9
56.96299	0.8
56.96568	9.6
57.03426	1.8
57.07077	3.8
58.06599	13.7
59.07376	6.6
60.08167	28.7
61.02919	2.0
67.05508	1.0
69.03424	4.7
69.07061	0.6
69.63885	3.9
70.06601	1.1
71.05002	1.2
71.08637	1.2
71.95254	0.9
72.08191	0.7
73.02925	3.8
73.06545	1.2
79.05482	2.8
81.03421	2.9
83.08611	0.8
84.04484	0.6
84.08127	1.1
84.96056	1.2
85.02907	11.2
85.06567	0.6
87.04472	0.7
91.03964	1.0
92.05031	0.6
96.35356	0.6
97.02908	5.2
98.03213	0.6
98.97585	90.7
99.04437	1.7
102.09160	1.8
103.00658	1.0
109.02897	2.0
110.96841	1.0
110.97579	14.9
112.07565	0.7
112.99107	1.4
116.07082	1.4
116.98625	25.6
117.05515	1.9
119.01810	0.9
119.04987	0.9
120.04485	1.1
121.01626	0.6
121.02890	0.8
124.99106	0.7
127.03924	3.0
128.02321	1.2
128.05057	0.7
128.98618	10.1
129.02220	0.5
130.02892	1.0
130.06531	9.7
130.08632	1.8
131.00179	1.3
131.87532	0.6
132.04459	1.3
134.99654	4.2
136.07550	1.3
140.98607	1.0
143.00175	2.1
145.01701	0.8
145.04953	1.7
146.06020	16.8
146.08070	1.7
146.99672	2.7
147.03294	0.7
147.04416	1.9
148.03934	80.1
148.07550	1.9
149.02345	22.5
153.05798	2.2
155.04590	0.6
156.04453	1.4
157.01735	0.8
158.06026	4.9
158.99660	43.2
159.03239	2.3
161.01164	1.1
161.02899	1.0
161.06555	0.7
163.02705	1.0
167.03377	1.1
170.05177	2.1
170.99660	8.7
173.01282	0.7
174.04135	1.1
174.05508	10.9
176.07137	1.0
177.00717	32.2
177.04225	1.2
181.55989	1.2
182.05170	2.4
184.03917	2.2
185.06653	0.7
186.04456	0.9
189.00717	10.3
189.04268	1.6
190.56517	1.0
191.04106	0.8
191.05751	3.8
192.06459	1.4
195.01756	1.4
198.04674	2.3
198.09270	1.0
200.02457	0.6
201.00710	1.5
202.04984	5.5
203.07649	1.0
204.05530	0.6
205.03777	0.9
207.01799	6.6
207.05220	2.2
215.07590	1.1
219.01775	10.0
219.05238	1.7
220.06055	7.3
227.06775	0.9
233.12547	0.7
237.02838	8.6
248.09113	0.8
251.04501	0.9
255.03951	2.7
261.12433	3.5
269.05389	1.3
278.59940	0.7
279.04037	6.1
279.13394	100.0
297.04965	2.1
297.08643	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56501	4.6
63.42394	4.5
71.04619	10.4
73.45028	4.7
85.02897	8.9
98.97589	51.0
116.98606	14.0
135.28212	5.2
136.64088	5.4
158.99667	23.7
163.02742	4.7
169.03473	4.6
177.00688	17.3
226.33795	5.0
237.02757	4.6
273.00772	5.3
275.06198	7.6
277.07675	4.9
279.04761	100.0
279.07684	6.8
297.08563	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	279.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.5
55.01873	0.8
55.05506	0.9
55.93620	0.4
56.96566	3.0
57.03433	1.1
57.07077	4.1
58.06606	13.4
59.07383	5.1
60.08169	26.1
61.02926	1.5
65.03950	0.4
67.05509	0.5
69.03437	2.1
69.63958	2.1
70.06594	0.9
71.04998	0.9
71.08603	0.7
73.02924	2.2
73.06552	0.6
79.05495	2.5
81.03443	1.8
84.08094	0.5
85.02445	0.5
85.02917	7.9
86.09682	0.4
87.04463	0.5
89.63715	0.4
91.04003	0.6
97.02907	3.3
98.97592	28.4
99.04439	1.0
101.00880	1.3
102.09167	0.6
103.00625	1.0
105.03449	0.5
109.02874	1.6
110.97594	4.4
112.99159	0.6
115.02411	0.4
115.24233	0.4
116.07092	0.8
116.89462	0.4
116.98633	7.7
117.05504	1.1
118.06541	0.3
119.01892	1.4
119.04867	0.4
120.04495	0.8
120.08073	1.0
121.01693	1.3
121.02879	1.0
123.04433	0.5
127.03976	2.1
128.02374	0.5
128.04987	0.4
128.98616	2.5
129.03784	0.4
130.02896	1.2
130.06538	10.0
130.08646	1.3
132.04474	0.9
134.99655	0.8
142.03508	0.8
143.00157	0.7
143.01904	1.0
145.01706	0.4
145.04970	1.4
146.06029	15.5
146.07901	0.6
146.99704	0.7
147.04411	1.3
148.03943	75.7
148.07608	2.0
149.02362	20.0
153.05760	1.2
155.01967	0.6
156.04475	1.5
157.03539	0.4
158.06030	4.9
158.26849	0.4
158.99670	13.0
159.03256	1.5
161.02928	1.1
161.04652	0.4
161.06558	0.5
163.02744	0.5
167.03424	1.2
169.03409	0.7
170.99666	2.3
174.05522	11.1
177.00723	10.7
177.04199	1.0
182.05177	0.6
184.03963	1.8
189.00777	2.9
189.04251	0.9
191.05746	1.1
192.06613	0.8
198.05630	0.5
198.09161	0.8
202.05072	4.0
203.07684	0.5
207.01773	1.5
207.05353	0.5
215.07724	0.5
219.01756	3.1
220.06036	7.6
237.02831	2.7
251.04449	0.5
255.03813	0.8
256.09100	0.6
261.12396	3.0
269.05490	0.6
275.06137	1.7
279.03772	1.6
279.07516	3.2
279.13409	100.0
297.05511	0.6
297.08588	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	279.039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.05508	1.5
56.96562	7.6
57.03443	1.8
57.07079	2.0
58.06599	1.1
59.04994	0.5
59.07370	0.6
60.08166	2.7
61.02919	1.4
69.03441	3.9
70.06583	0.4
70.37076	0.8
70.98117	0.6
71.05005	0.8
71.08647	0.9
71.95287	0.9
73.02914	1.5
74.97614	0.4
79.05499	1.6
81.03420	2.8
81.07080	0.5
83.08617	0.8
84.04512	0.9
84.08142	1.2
84.96025	1.0
85.02914	7.1
87.04453	1.1
87.47484	0.4
91.03953	0.7
91.05491	0.4
95.06123	0.4
97.02891	4.0
98.06053	0.4
98.97588	100.0
99.04444	1.4
101.00863	0.6
102.96927	0.8
103.00626	1.5
105.03403	0.4
109.02892	2.0
110.97576	18.1
111.53649	0.4
112.99142	1.4
115.00657	0.5
116.07100	0.9
116.98627	25.4
117.02126	0.3
117.05494	0.4
117.07453	0.4
119.01888	0.9
121.01678	1.6
124.99133	1.1
127.02478	0.4
127.03908	2.7
128.02319	0.7
128.07190	0.4
128.98610	11.3
130.06522	1.0
131.00182	1.3
132.02562	0.3
133.01691	0.5
134.99658	4.8
135.03191	0.6
137.01784	0.4
140.00179	0.5
140.98604	0.8
141.02106	0.4
143.00151	1.8
143.01842	0.8
145.01677	1.1
145.03362	0.4
145.04953	1.4
146.06070	1.7
146.99661	2.0
147.03247	0.9
147.04411	1.1
148.03929	8.9
148.07553	0.5
149.01184	0.7
149.02345	10.4
149.04887	0.4
153.05734	0.5
157.01634	0.4
157.03380	0.8
158.05968	0.5
158.99667	47.8
159.03159	2.2
160.05641	0.7
161.01227	1.1
161.02953	0.8
161.04688	0.5
163.02711	1.3
165.00854	0.4
166.04773	1.0
167.03270	0.9
168.03630	0.6
170.05188	1.3
170.98192	0.5
170.99663	9.7
171.01067	0.7
171.03204	0.4
173.01250	0.8
173.03156	0.5
173.04694	0.6
174.05519	1.2
175.02867	0.4
177.00723	36.1
177.04207	1.3
181.05266	0.4
182.03459	0.7
182.05145	1.0
182.99580	0.6
187.02708	0.9
187.04385	0.4
189.00720	16.4
189.04260	0.7
191.02310	0.4
191.04056	0.4
191.05719	2.1
195.01729	2.2
197.55421	0.9
199.06485	0.9
200.02252	1.0
201.00735	0.9
201.04378	0.5
203.04134	0.4
203.05888	0.7
205.03737	0.5
207.01791	7.9
207.05139	1.4
212.02086	0.4
219.01773	11.5
219.05278	1.3
220.06052	1.2
227.06886	0.4
232.89189	0.4
237.02831	8.6
247.62601	0.6
249.02815	1.1
249.06123	0.4
251.04457	0.5
255.03851	1.9
256.03024	0.5
261.02841	0.4
261.06439	0.4
263.08716	0.6
269.05472	0.9
278.96979	0.7
279.03830	8.3
279.07449	3.6
279.13397	11.5
279.15970	1.0
289.07547	0.4
292.35974	0.4
293.05151	0.5
297.04938	1.7
297.08582	5.1
303.09363	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	5.7
58.06588	7.3
59.04990	3.5
67.05502	6.0
70.15462	14.0
71.05001	4.3
72.08139	3.7
78.33405	3.5
79.05499	5.8
81.03421	9.0
81.07055	8.3
83.08633	3.7
86.06065	5.1
88.07632	27.4
91.05474	9.4
93.07067	3.9
94.14584	2.7
95.04978	6.6
97.02912	2.8
98.97623	4.7
105.07011	7.5
107.08600	5.3
109.06507	3.0
111.08077	3.5
112.29114	2.8
119.08550	4.4
121.10133	3.9
123.04453	10.7
131.08549	5.0
132.10194	7.8
133.10136	5.7
137.05975	4.4
143.53481	2.9
147.11723	5.2
149.02333	9.1
149.05991	4.3
149.09644	3.5
153.28568	2.8
157.10158	7.7
175.11249	6.2
178.15440	3.8
186.18578	26.8
193.12305	18.2
211.13324	81.1
230.21155	9.7
237.05963	7.7
246.06552	16.7
278.14401	3.1
278.23322	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.3
57.04565	0.7
57.07077	0.4
58.21106	0.3
59.06116	0.7
60.60686	0.3
68.05033	0.3
69.04533	0.3
70.06581	0.7
71.52662	0.4
79.05495	0.5
81.03419	0.4
84.03255	0.4
85.04027	6.0
88.04008	0.7
91.05480	4.1
93.07044	0.6
97.04012	0.8
98.04802	0.4
103.05479	1.2
105.07031	0.6
114.05502	0.7
116.07103	0.5
118.06541	0.8
120.08108	55.0
128.04996	0.6
130.04959	0.3
131.03256	0.3
131.04915	1.0
132.08157	0.3
141.05362	1.1
144.08102	2.3
146.05994	3.5
147.04396	0.8
148.07544	0.4
149.02324	2.0
161.10713	0.8
170.06017	0.6
171.09210	2.6
175.08688	2.2
187.08678	5.3
192.13884	0.4
199.30629	0.4
214.09798	0.6
215.08174	0.4
232.10812	100.0
233.09193	0.8
233.11224	0.5
246.12405	1.5
261.08664	0.8
278.11383	25.2
278.14621	1.2
278.17734	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85141	0.9
53.03954	4.7
54.55101	1.0
55.01893	1.1
55.05515	14.1
57.07064	3.9
61.74047	0.8
63.33667	1.1
67.05505	31.9
69.07068	13.4
69.43881	0.9
70.70091	2.1
70.70438	1.7
71.05004	1.6
77.03932	1.6
79.05497	67.4
81.07064	32.9
82.28065	0.9
83.04978	1.3
83.08630	6.1
85.06555	1.5
91.05485	21.1
93.07050	100.0
95.04990	2.5
95.08611	23.7
97.06512	1.7
97.10179	4.5
105.04546	2.1
105.07031	11.9
107.08601	46.6
109.06496	1.3
109.09471	1.2
109.10162	13.5
117.07008	2.7
119.08591	10.1
121.10152	39.4
123.11690	2.7
129.07065	1.4
131.08575	3.9
133.10147	11.6
135.08109	1.3
135.11702	57.8
137.09567	1.1
143.08553	1.7
145.10133	3.4
147.11696	6.8
149.09634	1.2
149.13251	21.3
151.11142	1.2
157.10158	1.8
159.11703	2.9
161.13266	4.5
163.11157	1.3
163.14819	5.3
171.11707	1.9
173.13280	2.1
175.11255	1.0
177.12711	1.4
185.13341	1.5
189.12714	1.0
193.12299	1.2
195.13753	1.8
199.14853	1.8
204.73331	1.0
207.13884	2.2
209.15529	1.0
213.16382	1.7
221.15384	2.5
235.16995	4.0
241.19533	3.0
259.20581	3.6
277.21640	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	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.02371	0.7
51.65629	0.7
53.03942	5.2
55.01858	2.8
55.05513	16.3
55.34229	0.7
56.28690	0.6
57.03447	3.3
57.07059	3.2
59.04995	1.0
62.39711	0.7
65.03927	1.5
67.05508	40.4
69.03412	0.9
69.06725	1.0
69.07069	16.4
69.40395	0.8
71.04971	2.4
71.08634	26.6
73.06551	1.3
77.03900	1.1
79.05497	57.0
81.03413	5.2
81.07060	53.4
83.04980	5.1
83.08159	0.7
83.08621	10.6
85.06531	3.2
91.04906	0.8
91.05483	31.8
93.07047	88.8
95.04975	11.0
95.08614	35.0
95.09244	1.0
97.06536	6.1
97.10155	3.5
99.07483	1.4
99.08096	18.8
103.05435	0.8
105.04527	0.9
105.07030	18.9
107.04980	4.6
107.08598	52.4
109.06538	3.9
109.09474	0.9
109.10165	12.0
111.08074	2.1
113.09637	1.4
117.06361	0.6
117.07030	5.2
119.06102	0.9
119.08581	13.9
121.06535	1.7
121.10150	41.1
123.08041	2.6
123.11681	2.8
125.09575	1.6
129.06985	2.1
131.08595	4.7
133.10136	11.0
135.08078	1.3
135.11697	48.4
137.09631	3.1
139.11183	0.8
141.09105	3.5
143.08588	2.3
145.10158	5.0
147.11714	6.5
149.09622	1.5
149.13258	17.4
151.11185	11.8
157.04918	1.0
157.10112	2.2
159.11696	3.1
161.09679	0.9
161.13257	8.7
163.11183	6.2
163.14801	3.7
165.12646	1.3
167.10658	2.6
171.11697	3.2
173.13228	1.0
175.11211	0.8
175.14830	2.0
177.12740	2.9
179.10754	1.2
179.14322	40.7
181.12233	1.0
185.13289	2.4
187.14806	1.5
188.91635	0.7
189.12790	1.6
193.12215	1.1
195.13828	2.8
199.14836	2.0
207.13721	1.0
213.16362	0.9
217.19450	0.8
221.15428	3.7
231.21069	1.1
235.16913	3.9
241.19536	2.0
259.20605	6.3
277.21631	100.0
280.90961	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03947	4.1
55.01863	3.1
55.05511	20.9
56.38215	0.8
57.03454	1.5
57.07082	4.6
57.90417	0.9
65.03931	2.5
67.05509	43.7
69.06725	1.5
69.07071	18.6
71.04988	2.8
71.08636	24.3
71.09525	0.7
77.03911	1.6
79.05496	61.4
81.03425	5.8
81.07059	50.0
83.04981	5.6
83.08624	10.8
85.06541	3.0
91.05487	32.4
93.07049	95.4
95.04971	8.6
95.08611	34.0
96.67410	0.7
97.06547	5.9
97.10175	5.2
98.21508	2.7
99.08093	17.3
105.04520	2.2
105.07038	19.1
107.04998	4.3
107.08599	56.0
109.06503	3.5
109.09466	1.1
109.10165	13.7
111.08078	1.9
113.09673	1.2
117.07026	4.5
119.07809	1.1
119.08591	13.5
121.06506	2.2
121.10151	45.8
123.08054	2.1
123.11694	3.1
125.09709	0.9
127.07570	0.8
129.07030	2.8
131.08578	4.8
133.06494	1.1
133.10129	12.6
135.08029	1.8
135.11697	53.8
137.09630	2.4
137.13208	0.7
141.09113	2.8
143.08563	2.3
145.10135	5.3
147.08022	1.5
147.11681	7.5
149.02325	1.8
149.09608	1.5
149.13272	19.2
151.11186	10.7
157.10112	2.4
159.11691	3.6
161.09645	1.4
161.13271	8.2
163.11189	4.9
163.14835	4.9
165.12753	1.0
167.10693	3.0
171.11659	2.5
173.13211	2.1
175.11401	0.8
175.14853	2.0
177.12743	2.3
179.14319	35.6
181.12296	1.3
185.13264	2.7
189.12735	1.8
189.16139	0.9
195.13779	2.7
199.14841	1.0
200.55891	0.8
207.13759	1.6
209.64760	0.8
213.16389	0.9
221.15390	3.8
231.17537	0.9
235.16930	4.1
241.19516	2.9
259.20633	5.9
277.21634	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
53.03951	5.3
55.01878	1.5
55.05265	1.7
55.05513	18.7
57.07066	2.6
65.03925	2.0
67.05508	32.7
69.07069	15.5
70.77470	1.2
70.77828	2.9
71.04977	2.1
77.03909	1.6
79.05496	75.7
80.06301	1.0
81.07062	32.3
83.04997	1.7
83.08634	8.5
85.06531	1.1
91.05488	27.9
93.07047	100.0
95.04988	5.8
95.08614	25.1
97.06519	2.3
97.10160	5.3
105.04524	2.7
105.07037	14.3
107.08601	50.7
107.27393	1.1
109.06541	1.0
109.10156	13.9
111.08062	2.1
117.07001	2.9
119.08572	10.0
119.75484	1.1
121.10148	46.0
123.11700	3.0
129.06979	1.4
131.08598	5.4
133.10121	11.1
135.11694	54.1
137.09610	1.2
137.13228	1.3
143.08548	2.1
145.10118	2.2
147.11699	7.4
149.09599	2.1
149.13271	23.9
151.11130	1.6
157.10106	2.0
159.11658	2.9
161.09598	1.2
161.13264	4.8
163.11183	1.3
163.14861	8.3
171.11751	2.1
173.13315	1.7
175.11156	1.9
181.12259	1.4
185.13243	2.7
189.12675	1.6
195.13771	3.3
199.14861	2.2
207.13786	3.3
213.16451	2.4
221.15408	3.1
235.16919	5.0
259.20590	4.4
277.21637	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
51.02364	1.1
53.03952	4.3
55.01881	1.4
55.05275	1.2
55.05514	16.4
57.03426	0.9
57.07078	3.9
67.05507	31.8
69.06725	1.5
69.07069	18.0
69.49435	0.8
69.70560	4.7
71.04975	2.3
71.08624	1.0
79.05495	72.3
81.03424	1.3
81.07059	36.8
83.04966	2.6
83.08627	8.1
85.06529	2.1
91.05482	27.4
92.05804	1.0
93.07047	100.0
95.04974	5.7
95.08609	24.3
97.06526	2.6
97.10175	3.9
99.08105	2.4
105.04548	1.2
105.07031	17.2
106.07365	0.8
107.08596	53.2
109.06527	2.2
109.10159	14.8
111.08074	2.0
111.32193	1.1
116.70237	0.9
117.07021	3.3
119.08595	11.5
121.10146	44.1
123.08068	2.3
123.11693	5.8
125.09610	1.3
129.07016	1.7
131.08585	2.9
132.08887	0.8
133.10149	14.6
135.08089	1.6
135.11696	53.9
137.09604	1.1
137.13345	0.8
139.07591	0.8
139.11186	1.0
143.08572	2.0
145.10129	3.5
145.58549	0.8
147.08125	1.0
147.10831	0.9
147.11719	8.5
149.09639	1.3
149.13266	25.4
151.11157	2.2
157.10138	2.5
159.11716	3.5
161.06079	1.0
161.09575	1.0
161.13287	4.5
163.11180	2.1
163.14839	5.9
165.12755	1.1
167.10672	1.1
171.11737	2.3
173.13257	3.2
175.11246	1.3
175.14841	2.4
179.14444	1.1
181.12283	1.6
185.13252	2.7
189.12811	2.1
193.12276	1.8
195.13855	2.4
199.14836	1.2
201.65208	0.8
207.13797	1.7
213.16457	1.9
217.15840	0.9
221.15456	2.4
231.17522	1.9
235.16875	5.9
241.19557	2.6
259.20566	4.9
277.21640	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	277.2164
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.53610	0.6
52.65807	0.7
53.03943	2.3
55.01860	2.6
55.05269	0.9
55.05513	13.6
57.03429	2.1
57.07074	4.1
60.49663	0.9
63.97963	0.8
66.01407	0.9
67.05510	28.8
69.03428	1.3
69.07072	13.1
71.04979	3.3
71.08633	2.2
71.53409	1.3
79.05499	37.8
81.03415	2.1
81.07061	32.4
83.05000	4.1
83.05400	0.8
83.08626	10.0
85.06538	2.2
91.05489	19.0
93.07049	56.7
95.04990	4.1
95.08614	28.2
95.09129	0.4
95.09239	0.8
97.06534	3.5
97.10191	3.7
99.08099	2.3
101.06011	0.8
105.03383	1.3
105.07030	13.3
107.04945	2.3
107.08599	34.9
109.06517	3.2
109.10169	11.9
111.08082	2.0
116.47918	0.8
117.07001	4.0
119.08600	12.3
121.06483	1.4
121.10155	27.7
123.04483	1.0
123.08051	2.7
123.11726	3.8
125.09624	2.1
129.06960	2.2
131.08588	6.0
133.10127	10.6
133.87653	0.8
135.08041	2.2
135.11705	30.2
137.06018	0.8
137.09627	3.1
137.13220	0.8
143.08568	2.8
145.10129	4.3
147.08040	0.9
147.11710	6.9
149.02322	1.3
149.09613	1.4
149.13264	16.4
151.03903	1.0
151.11194	1.5
157.10123	2.1
159.11728	5.1
161.13242	3.8
163.11206	2.0
163.14902	3.8
165.12862	1.3
171.11693	3.1
173.13290	2.8
175.14787	1.5
177.12834	1.6
179.10683	1.7
179.14273	0.9
181.12241	2.1
185.13339	2.2
187.14793	1.0
189.12805	1.6
193.08565	1.2
195.13799	1.4
199.14864	1.7
201.16425	1.2
203.14429	1.4
213.16310	1.4
217.16005	1.0
217.19487	1.2
221.15388	2.5
231.21082	1.2
235.13322	2.0
235.16904	5.0
241.19495	3.8
259.20587	10.2
277.21643	100.0
277.27917	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04520	2.3
50.86616	2.8
66.21311	2.4
69.03435	3.7
69.49196	2.4
74.91724	2.1
81.03412	4.8
82.99849	7.5
99.04478	3.0
101.00891	38.1
104.10739	19.0
109.02887	4.9
113.00869	5.4
115.02444	7.4
119.01929	36.4
131.01904	6.0
133.03487	14.9
136.80232	2.5
139.02428	7.5
142.01108	2.5
143.01915	23.0
145.03448	14.8
157.03485	41.3
159.01402	5.8
160.02196	3.1
161.02956	26.3
167.01898	6.0
169.03516	4.5
171.05086	3.3
175.04512	15.3
181.03543	3.3
183.05078	4.4
185.03011	16.7
187.04497	5.6
189.06125	2.8
199.04530	7.8
201.06122	4.1
203.03996	8.6
207.62775	2.6
217.05614	6.9
227.03909	2.7
235.06721	4.1
245.05127	6.0
253.07678	2.4
259.06635	7.4
277.03183	49.7
277.07559	75.3
295.08774	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0321
Annotation	selenoneine
Peak:m/z	Relative Intensity
64.96769	8.9
69.42870	66.2
72.92501	7.8
86.83611	7.8
96.20350	8.6
101.58643	8.0
136.51117	8.4
195.85764	10.0
228.26227	8.9
239.99757	8.4
244.39725	7.9
277.03226	100.0
277.06226	15.4
295.08621	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	277.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
70.59624	19.4
76.34997	5.1
86.30991	5.9
94.86163	5.9
101.00891	8.4
125.30922	5.8
126.20657	5.4
148.73683	5.6
157.03488	6.8
277.03287	100.0
277.07535	26.2
295.08728	22.7
299.77982	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	276.1961
Annotation	MGK 264
Peak:m/z	Relative Intensity
55.05511	1.8
56.05020	0.3
57.03438	0.6
59.04998	2.7
59.87518	0.3
60.60135	0.3
70.06591	0.3
70.44957	0.7
70.45291	0.3
71.76118	0.3
73.06547	0.4
79.05495	0.6
81.07075	0.4
83.04999	0.5
84.08192	0.3
87.04468	0.7
91.05462	0.4
93.07044	0.4
96.44365	0.3
97.10196	0.4
98.21365	0.4
105.07011	0.5
109.13641	0.3
118.06551	11.3
118.31525	0.3
119.07316	0.5
119.08607	0.3
125.24555	0.3
132.08095	3.8
133.08870	1.9
134.09631	0.8
138.36127	0.2
146.09651	4.1
147.10463	0.7
150.38448	0.3
158.43120	0.3
161.11926	0.3
176.14362	59.3
183.00603	0.3
203.93327	0.3
207.86153	0.3
214.01819	0.3
218.11768	0.4
232.13356	0.6
233.14050	0.4
238.22064	0.3
246.14890	0.5
276.19604	100.0
277.19913	0.9
282.19415	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	11.3
70.82323	19.3
76.61105	7.0
81.03416	7.5
84.04508	11.5
85.02906	9.7
85.06532	9.4
97.02836	8.4
98.97585	19.4
101.00878	45.2
104.10701	10.2
109.02847	11.6
117.23199	7.0
119.01927	37.7
120.01182	18.5
127.03932	7.7
131.01923	9.9
133.03539	7.9
143.01892	20.4
145.03448	9.1
148.09727	9.6
157.03468	27.1
161.02974	31.5
175.04507	14.4
182.00189	7.6
183.04108	6.7
185.03012	14.0
187.04558	7.4
189.52023	7.0
198.96448	6.9
203.04204	10.0
216.71352	6.2
219.01860	10.9
235.65419	8.1
277.03305	100.0
277.07806	79.0
289.15009	8.2
295.08847	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03940	1.5
55.01876	3.1
55.05519	11.0
55.96120	0.7
57.03437	0.9
60.18841	0.7
66.75059	0.6
67.05511	13.7
69.03452	0.7
69.07070	9.0
70.78204	2.1
71.04986	1.1
75.73565	0.7
79.05499	18.9
81.03414	0.7
81.07062	19.8
83.04966	2.1
83.08627	5.2
90.18744	0.6
91.05487	31.4
93.06485	1.1
93.07053	17.6
95.04961	3.5
95.08614	11.2
97.06528	2.7
97.10163	1.9
99.08064	1.1
103.05471	1.4
105.04543	0.7
105.07040	41.5
107.04962	2.4
107.08595	12.5
109.06522	3.3
109.10171	5.3
111.08089	1.0
115.05465	0.9
117.07017	8.3
118.07821	0.8
119.08591	26.8
121.06538	3.3
121.10154	6.7
123.08083	2.0
123.11691	1.8
124.12213	0.7
125.09620	1.6
129.06995	2.1
130.07790	0.6
131.08578	11.8
132.09378	0.9
133.06480	1.0
133.10144	28.9
134.80609	0.6
135.08061	3.9
135.11691	3.1
137.09608	2.0
141.07016	1.0
143.08575	2.5
145.10132	11.5
147.08058	1.3
147.11688	15.2
149.09637	6.7
149.13286	1.0
151.11206	1.7
155.08597	1.7
157.10133	2.4
159.11703	8.0
161.09674	1.1
161.13274	5.0
163.11180	4.0
163.81972	0.6
165.09067	0.8
165.12785	1.0
169.10162	1.9
171.11681	2.0
173.13249	3.2
175.11215	1.7
175.14885	1.0
177.12773	0.8
179.14381	0.7
183.11719	1.8
185.13316	0.8
187.11154	0.9
187.14850	0.8
197.13330	1.4
199.14853	1.0
205.12390	0.7
213.16408	0.8
215.14267	1.1
215.17830	1.2
229.15916	0.7
229.19513	2.2
233.15407	1.4
233.19023	1.5
239.17935	4.5
247.20584	3.1
257.19049	9.0
275.20074	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03957	1.3
55.01864	2.3
55.05309	0.8
55.05518	9.2
57.07071	3.0
65.03940	1.7
67.05510	19.8
69.07069	8.8
71.04978	1.8
71.08621	1.1
71.16405	0.8
71.53764	1.2
79.05067	1.7
79.05500	22.1
81.03400	2.4
81.07059	17.0
83.04990	1.9
83.08625	3.0
85.06536	1.5
91.05487	30.9
93.07047	18.8
95.04961	2.9
95.08607	14.6
97.06538	3.1
97.10194	1.5
103.05474	1.4
105.07037	43.4
107.04980	5.9
107.08599	11.3
109.06509	3.2
109.10189	5.8
111.08073	1.6
117.07018	10.7
119.08585	31.0
121.06513	4.7
121.10164	8.5
123.08086	4.9
123.11693	1.1
129.06953	1.7
131.08569	13.5
133.06520	1.2
133.10141	30.5
135.08073	3.2
135.11699	3.8
137.09621	3.3
141.06985	1.3
143.08571	1.7
145.10114	9.5
147.11703	18.2
149.09653	6.1
149.13274	1.9
151.11264	1.2
155.08580	1.7
157.10115	1.4
159.11694	8.3
161.09709	1.7
161.13287	6.5
163.11218	2.0
163.14822	1.3
165.09140	2.8
166.12183	0.8
169.10103	1.1
171.11710	2.3
173.13214	5.8
175.11183	2.2
175.14874	1.1
177.12784	1.5
177.97948	0.8
183.11664	2.0
187.11258	1.8
187.14864	1.5
189.12740	1.2
191.14359	0.9
197.13297	2.3
201.12828	0.9
213.16431	0.9
215.17946	0.9
229.19640	2.1
233.15407	2.2
239.17906	3.7
247.20576	4.7
257.19083	6.4
275.20087	100.0
275.27811	6.4
276.20374	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.05510	4.6
57.07064	1.1
59.85672	0.9
67.05507	6.7
69.06727	1.3
69.07072	13.2
71.05000	2.6
73.29179	1.1
79.05511	4.9
81.07067	7.6
83.04954	1.1
83.08605	1.2
84.67604	0.9
85.06541	5.2
91.05495	9.3
93.07047	12.2
94.43238	0.9
95.04950	1.8
95.08606	8.5
97.06532	2.2
105.07037	14.6
107.04950	1.1
107.08606	9.8
109.06521	3.4
109.10162	6.4
111.08088	21.3
111.11705	2.0
113.09611	6.2
117.07010	2.7
119.08599	14.0
121.06512	2.8
121.10157	9.3
122.07301	3.9
123.08080	16.3
123.11713	2.2
127.11141	1.3
131.08571	13.0
133.10139	8.1
135.08058	24.2
135.11690	3.8
137.09608	2.9
139.11191	3.0
142.07767	1.5
143.08589	2.1
144.09396	1.5
145.10133	8.4
147.08000	1.2
147.11714	10.2
149.09618	4.6
149.13268	1.4
156.09369	3.1
157.10129	4.9
158.17520	1.1
159.11703	12.9
161.09645	3.1
161.13252	1.8
163.11240	5.1
165.12772	2.6
169.10164	1.4
171.11700	20.9
173.13258	6.9
175.14735	2.2
176.11960	4.6
177.12723	2.8
181.12212	14.8
183.11662	2.3
185.13188	1.1
187.11148	1.5
189.12743	3.6
189.16438	1.4
191.14319	100.0
197.13275	2.1
199.14827	7.1
201.12691	2.4
213.16414	2.2
215.14253	1.8
215.17874	5.0
217.15849	8.0
239.17947	3.3
256.56564	1.2
257.18991	14.2
275.20084	62.3
275.27829	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	275.2008
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03946	2.0
55.01874	4.7
55.05276	1.0
55.05516	12.6
57.03428	2.4
57.07067	2.3
65.03922	1.0
67.05511	21.1
69.03417	1.7
69.06730	0.7
69.07076	10.3
69.29749	1.9
69.30154	4.4
70.06573	1.7
71.04989	2.1
74.32136	0.6
75.26573	0.7
79.05502	25.9
79.05968	1.4
81.03417	1.7
81.07065	46.5
83.04974	3.3
83.08624	5.4
85.06541	1.1
88.07629	1.2
89.08000	0.7
91.05489	29.5
92.48083	0.7
93.07051	19.6
95.04971	5.3
95.08614	12.3
97.06536	4.6
97.10173	1.7
98.20707	1.3
98.45837	0.6
99.08067	1.3
103.05489	1.2
105.04537	0.6
105.07040	35.4
106.08638	0.7
107.04969	6.5
107.08609	13.8
109.06522	15.5
109.10178	5.0
111.08088	3.0
115.05464	1.6
117.07016	9.0
119.08594	26.4
121.06472	4.2
121.10147	9.3
123.04367	0.9
123.08086	4.0
123.11716	2.5
125.09660	1.7
129.07008	2.5
130.07799	0.8
131.08582	9.9
133.06476	1.4
133.10143	25.6
135.08067	6.4
135.11682	4.6
137.09615	3.6
139.11182	1.1
143.08582	3.0
145.10127	10.9
147.08049	1.8
147.11699	17.7
149.09634	8.1
149.13269	3.0
151.11212	2.1
153.12743	0.6
155.08505	1.3
157.10126	3.8
159.08107	1.2
159.11688	8.2
161.09624	2.6
161.13272	5.0
163.11206	5.5
163.14842	2.2
165.09157	1.6
165.12833	1.0
167.10733	0.7
169.10115	1.8
171.11694	3.0
173.09680	1.0
173.13264	5.1
175.11203	1.7
175.14844	1.5
177.12796	1.5
179.10674	1.1
179.14459	0.7
183.11734	1.8
185.13168	1.0
187.11177	2.0
187.14847	1.5
189.12782	0.7
191.14325	0.8
193.12294	2.0
196.07918	0.6
197.13292	1.8
199.14748	0.8
201.12735	1.5
201.16502	0.8
203.14240	0.7
215.14412	0.8
215.17973	1.7
219.13788	1.0
229.15991	0.8
229.19479	3.9
233.19167	1.4
239.17920	4.1
247.20575	5.8
257.19022	9.8
257.26660	1.1
265.15015	0.8
275.20084	100.0
275.27744	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03939	1.0
55.01630	0.5
55.01875	6.3
55.05270	0.7
55.05516	10.6
57.03437	1.0
57.07063	1.2
59.04990	0.4
60.71518	0.3
65.03922	0.8
67.05508	16.3
69.03419	0.5
69.06727	0.7
69.07072	9.5
70.63515	0.8
71.05016	1.8
73.06549	0.5
77.03883	0.5
79.05498	17.5
79.05962	0.9
81.03400	0.5
81.07063	19.3
83.04986	2.9
83.08627	4.2
85.06541	1.3
91.05484	30.2
93.07051	17.5
95.04974	3.6
95.08614	11.6
95.09194	0.4
97.06535	9.2
97.10178	1.9
99.08128	0.4
103.05435	0.9
105.07038	35.5
107.04971	4.8
107.08599	13.5
109.06512	3.6
109.10168	6.1
111.08085	1.6
113.05988	0.5
113.09684	0.5
115.05441	0.9
116.06279	0.5
117.07020	8.7
117.07841	0.6
119.08590	24.4
120.32468	0.4
121.06506	4.2
121.10144	8.5
123.08080	3.0
123.11747	1.9
125.09635	2.1
129.07011	2.4
131.08574	11.5
133.06502	1.1
133.10141	30.0
135.08081	5.6
135.11696	4.7
137.09642	3.9
139.07489	0.6
139.11226	0.9
141.07001	1.0
142.07790	0.6
143.08545	2.6
145.06578	0.5
145.10133	10.2
146.10823	0.4
147.08061	1.3
147.11694	15.5
149.09633	8.9
149.13249	1.4
151.11218	2.9
155.08562	1.1
157.10141	2.5
159.08049	0.5
159.11705	8.3
161.09636	1.9
161.13295	4.9
163.11183	7.4
165.09119	0.5
165.12759	1.2
167.10609	0.5
169.10110	2.6
171.11713	1.9
173.09692	0.9
173.13292	5.5
175.11194	2.5
175.14827	1.2
177.12750	2.6
179.14282	0.6
183.08051	0.4
183.11685	2.3
185.13286	0.9
187.11176	0.8
187.14854	0.9
189.12814	1.2
191.14296	1.4
193.12242	0.5
197.13208	1.1
199.14822	1.1
201.12769	1.1
201.16452	1.0
205.12154	0.6
207.13821	0.4
211.14879	0.7
213.16408	1.1
215.14345	1.1
215.17979	1.6
217.15938	0.7
219.13814	0.6
219.17554	0.7
229.15952	0.5
229.19502	3.3
233.19012	1.0
239.17952	4.0
247.20581	4.5
257.19012	10.4
275.20074	100.0
275.27539	1.9
276.20386	0.8
285.42072	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.43567	0.7
52.86306	0.7
53.03946	2.0
55.01864	3.1
55.05510	12.1
57.03428	2.4
57.07065	1.6
64.76228	0.7
65.03937	1.0
67.05505	19.7
69.03436	1.0
69.07075	8.4
70.77547	1.6
70.77879	1.5
71.04977	1.3
75.98339	0.7
79.05495	18.6
81.06587	1.4
81.07063	24.0
81.13986	0.7
83.04980	1.3
83.08627	5.0
85.06548	1.7
86.42759	0.7
91.05488	33.3
93.07044	16.7
93.25909	0.7
95.04962	2.9
95.08604	12.8
97.06546	1.8
97.10155	1.6
103.05471	0.9
105.07036	48.7
107.04969	3.8
107.08594	12.5
109.06537	5.0
109.10152	5.2
111.08064	2.0
117.07029	10.1
119.08587	28.7
121.06496	1.9
121.10168	5.2
123.08087	5.8
123.11747	1.5
125.09624	2.1
129.07022	2.7
131.08577	11.5
133.06467	0.7
133.10138	36.9
135.08051	7.2
135.11679	5.4
137.09633	3.5
143.08591	1.6
145.10130	10.3
147.08078	1.5
147.11697	15.6
149.09634	5.9
149.13272	1.2
151.11169	1.3
157.10202	1.7
159.08177	0.8
159.11702	7.3
161.09633	0.9
161.13271	5.6
163.11191	3.3
165.12787	0.8
169.10188	1.8
171.11668	2.9
173.13229	4.7
175.14833	1.8
177.12738	1.5
183.11700	2.4
185.13214	2.0
187.11230	0.8
187.14896	1.1
189.12741	1.1
197.13269	2.6
201.12744	1.1
201.16377	1.7
203.14319	2.1
211.14854	0.7
215.14230	0.9
229.19557	2.0
233.15298	1.1
239.17950	4.4
247.20650	4.5
257.18970	8.1
275.20074	100.0
275.27783	4.2
276.20432	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03938	1.7
53.60559	0.8
55.01867	2.0
55.05513	12.5
57.03423	4.7
57.07077	1.4
58.40499	0.8
65.03930	1.2
66.92069	0.9
67.05508	18.7
69.03413	1.7
69.07074	10.1
69.24284	2.6
69.24697	5.2
71.04986	2.4
79.05067	1.6
79.05497	20.5
81.07059	26.6
83.04966	3.1
83.08625	4.0
85.06538	2.4
91.05486	30.8
93.07051	18.8
95.04963	2.5
95.08605	12.5
97.06543	2.6
97.10143	1.3
105.07036	40.6
106.27956	0.9
107.04960	5.6
107.08591	15.3
108.05595	1.0
109.06528	7.3
109.10155	5.5
111.08082	4.1
115.05450	1.7
116.06344	0.9
117.07026	10.2
119.08583	30.1
121.06487	3.2
121.10176	8.4
123.08079	5.5
123.11700	2.0
125.09552	1.2
125.50006	0.8
129.07013	2.4
131.08569	14.0
133.06470	0.9
133.10138	31.3
135.08049	6.3
135.11671	5.6
137.09619	2.5
138.39061	0.9
141.26949	0.8
143.08560	3.2
145.10144	12.4
147.08037	1.8
147.11693	16.7
149.09659	6.7
149.13272	1.2
151.11148	1.8
155.08556	2.0
156.09340	0.8
157.10133	3.8
158.10899	1.0
159.11697	11.0
161.09663	1.7
161.13240	5.6
163.11218	2.9
165.12740	1.8
169.10149	2.5
171.11681	2.4
173.13278	7.8
175.11154	3.4
175.14870	2.5
177.12735	2.0
183.11736	3.3
185.13239	2.7
187.11188	1.4
187.14789	1.7
191.14236	1.3
197.13280	3.0
199.14836	1.8
200.22360	0.8
201.12740	2.1
201.16228	1.8
203.14272	2.9
213.16281	0.9
215.17929	1.3
219.13943	0.9
219.17369	1.3
229.15938	1.4
229.19527	3.3
239.17929	6.8
247.20572	3.2
257.19037	10.7
275.20068	100.0
275.27832	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.02381	0.6
53.03930	2.2
55.01876	15.6
55.05514	16.6
57.03432	0.9
57.07076	0.8
59.05019	0.9
65.03956	1.2
67.05506	21.2
69.07069	13.3
69.92999	1.9
71.04983	1.7
76.61424	0.5
77.03951	0.6
79.05495	22.6
81.03418	2.2
81.07061	37.6
83.04988	3.5
83.08620	6.0
84.26163	0.6
85.06544	1.1
91.05486	50.9
93.07046	21.9
95.01325	2.3
95.04974	4.0
95.08609	14.5
95.83565	0.4
97.06533	24.8
97.10156	3.0
97.28776	0.5
103.05463	2.4
104.06264	0.5
105.07035	90.2
107.04964	7.2
107.08592	11.4
109.06532	2.0
109.10151	5.9
111.08089	0.9
115.05429	1.1
117.07014	9.5
118.07802	0.7
119.08586	40.1
121.06492	1.8
121.10137	6.0
123.04435	0.5
123.08078	2.0
123.11712	1.1
125.09625	1.7
128.32899	0.5
129.07016	1.5
131.08575	18.0
131.09531	1.0
132.09338	0.7
133.10135	57.0
135.08057	2.1
135.11702	4.0
137.09639	1.6
139.07498	1.1
141.06998	0.7
143.08519	2.6
145.06502	0.8
145.10126	16.1
147.08104	0.7
147.11688	20.1
149.09618	4.6
149.13271	1.7
151.11176	1.9
155.08618	1.1
157.10112	1.9
159.08116	0.6
159.11700	9.4
161.09688	0.7
161.13303	3.2
163.11220	2.5
163.14873	0.6
165.09108	2.2
165.12654	0.5
169.10103	0.8
171.11694	2.6
173.13263	3.7
175.11186	1.0
177.12740	1.8
179.14322	3.1
183.11716	2.3
185.13280	0.9
187.11189	1.7
187.14926	1.0
197.13228	2.2
201.12747	0.8
205.12248	0.7
215.18074	0.7
219.13750	0.7
219.17358	0.6
229.19545	1.8
239.17987	1.9
247.16801	0.8
247.20619	3.7
248.31775	0.6
257.18988	7.4
275.20068	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.77932	0.6
53.03942	2.2
55.01629	0.8
55.01876	11.9
55.05267	1.0
55.05513	14.7
56.17061	0.7
57.03434	1.8
57.07075	1.2
61.58300	0.6
65.03942	1.0
65.83969	0.7
67.05508	20.7
69.03425	1.0
69.06733	0.9
69.07074	11.7
69.84925	3.0
71.04980	1.9
79.05497	26.5
81.03414	1.9
81.07061	21.0
83.04990	3.2
83.08622	4.8
85.06564	1.2
91.05487	29.6
93.07049	20.5
95.04984	4.2
95.08607	13.4
97.06539	16.8
97.10163	2.2
103.05447	1.2
105.07037	40.8
107.04965	13.2
107.08608	19.7
109.06520	4.5
109.10180	8.2
111.08070	1.1
115.05449	0.8
117.07016	10.5
119.08586	29.6
121.06520	4.0
121.10152	10.9
123.08098	1.7
123.11687	1.4
125.09679	2.6
129.07002	2.3
130.07785	0.6
131.08580	12.3
133.06512	0.9
133.10139	27.0
135.08095	4.5
135.11696	4.4
137.09631	2.6
141.06987	1.0
142.07777	0.9
143.08551	2.1
145.10133	12.7
146.10931	0.9
147.08078	1.4
147.11696	16.0
149.09631	21.5
149.13254	2.1
151.11203	2.2
152.70285	0.7
153.09016	0.9
155.08516	0.8
157.10150	2.7
159.11687	7.8
161.09662	1.3
161.13281	5.3
163.11191	4.7
163.14734	0.9
165.09181	1.0
169.10110	1.3
169.12505	0.6
171.11661	2.7
173.11839	1.2
173.13181	4.6
175.11160	1.1
177.12744	1.6
183.11682	2.0
185.13295	1.0
187.11122	1.5
187.14844	2.2
189.12767	0.7
191.14374	0.7
197.13283	1.1
201.12776	0.9
205.12251	0.7
215.17993	1.5
229.19504	5.8
233.15387	1.2
239.17992	3.2
247.20612	4.6
257.19009	13.4
272.06055	0.8
275.20074	100.0
275.27777	3.1
276.20523	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.97670	0.3
53.03933	1.5
55.01875	2.9
55.05514	9.5
57.03434	2.4
57.07074	1.1
59.05001	0.7
65.03918	1.1
67.05508	17.2
69.03418	0.6
69.07069	9.3
70.31284	1.0
70.31676	0.7
71.04999	2.0
73.24446	0.4
77.03909	0.5
78.29309	0.5
79.05497	17.2
81.03423	1.0
81.07062	20.1
83.04970	1.8
83.08620	4.3
85.06528	1.2
91.05487	28.7
93.07050	17.5
95.04976	2.6
95.08614	12.6
97.06530	3.0
97.10146	1.2
99.08116	0.4
103.05453	0.7
105.07039	35.5
107.04964	4.0
107.07868	0.9
107.08594	13.6
109.06528	4.4
109.10151	4.9
111.08055	1.3
113.06011	0.4
115.05467	1.0
117.07017	9.7
119.08589	30.7
121.06526	3.9
121.10155	7.8
123.08070	4.1
123.11704	1.0
125.09611	0.8
129.06999	1.9
130.07832	0.6
131.08574	12.1
132.09262	0.6
133.06471	1.2
133.10136	26.7
135.08072	5.9
135.11691	4.7
137.09636	3.3
139.11208	0.7
141.06908	1.0
143.08604	2.2
144.09309	0.5
145.10133	9.3
147.08023	1.7
147.11702	15.0
149.09624	5.5
149.13240	1.5
151.11201	2.2
155.08563	1.7
157.10146	2.9
159.08067	0.5
159.11693	6.6
161.09669	2.2
161.13263	4.8
163.11192	4.7
165.12764	0.9
169.10136	1.5
171.11722	2.0
173.09544	0.5
173.13292	5.3
175.11218	1.7
175.14850	0.9
177.12738	1.4
183.11711	1.5
185.13300	1.5
187.11215	1.1
187.14793	1.2
189.12810	1.1
191.14359	0.5
193.12282	0.7
197.13298	2.1
199.14905	0.7
201.12828	1.2
201.16350	0.6
203.14279	0.9
211.14828	1.2
213.16357	0.6
215.14250	0.8
215.18059	0.7
219.13721	0.8
219.17491	0.7
229.19489	2.9
233.15382	1.0
233.18985	0.6
239.18018	4.1
247.20566	3.8
257.19034	8.6
275.20071	100.0
275.27844	1.7
276.20474	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22151	0.4
51.38240	0.3
55.05509	0.7
56.05026	1.2
56.96564	3.5
57.03429	0.5
58.04068	0.4
61.02927	0.7
61.78710	0.3
69.03424	1.4
69.04550	1.1
69.99480	1.0
69.99886	0.6
70.06593	0.8
70.98109	0.4
71.95262	0.5
72.04510	1.2
72.08153	1.1
73.02898	0.4
74.02430	0.9
74.06083	0.9
76.05138	2.2
81.03382	0.5
81.04550	0.5
81.07047	1.0
84.08141	1.1
84.96021	0.6
85.02908	2.3
86.06078	0.6
86.09708	0.7
88.07631	1.7
89.36401	0.3
90.05537	0.4
91.05486	0.5
93.83839	0.3
95.06094	1.4
96.05599	0.8
97.02886	1.6
97.03443	0.4
98.21440	0.5
98.97589	8.1
99.08108	0.8
101.00894	1.7
102.05550	1.4
102.96880	0.9
107.04958	0.4
107.66605	0.3
109.02887	0.6
110.97575	1.3
111.05590	2.4
112.07613	1.4
112.99136	0.5
113.00909	1.0
113.05997	0.4
113.07145	0.9
114.06664	2.5
115.02451	0.5
116.08220	0.6
116.98644	2.7
118.05030	0.7
119.01914	1.6
122.07170	0.4
123.05566	2.0
124.99168	0.5
126.07723	0.4
127.02451	0.4
127.03965	0.5
128.07141	0.6
128.08217	1.1
128.98642	0.5
130.08638	1.8
131.00168	0.4
131.01907	1.3
131.03723	0.3
131.05608	0.5
133.03526	0.5
134.99681	0.4
136.07602	0.5
137.05948	1.0
138.10229	0.5
141.06606	2.8
143.00134	0.5
143.01915	2.0
144.98076	0.5
145.01714	0.9
145.03423	0.6
149.06599	0.5
154.08530	0.4
155.01930	1.2
156.11320	5.0
157.04315	1.0
157.54462	0.9
158.99702	1.4
159.05080	0.4
160.07179	0.6
161.01166	0.4
161.02988	2.1
161.04820	0.5
162.99138	1.4
168.03542	0.5
170.99594	0.4
171.03380	0.6
172.09679	0.8
173.01273	0.5
173.02986	1.2
173.06651	1.9
174.12415	4.7
174.99109	0.4
177.00743	0.6
181.00159	0.6
184.04800	0.3
185.06639	2.2
186.04459	0.5
187.02946	0.4
189.00803	0.5
189.04330	0.7
191.07620	0.5
201.05229	0.5
203.03954	0.7
203.07672	1.0
210.58051	3.8
215.02333	0.5
215.07704	1.3
219.01826	1.5
221.05113	1.4
230.15083	0.5
232.99667	0.5
233.03360	0.8
237.02780	0.5
239.13890	0.4
251.04483	0.5
256.96500	0.6
257.08838	0.6
257.16309	4.9
274.97470	1.7
275.11044	100.0
275.17178	14.4
292.98566	0.4
293.10828	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0916
Annotation	Phloretin
Peak:m/z	Relative Intensity
51.55121	0.3
53.03942	0.8
55.01875	0.5
55.05508	2.2
56.96556	0.9
57.07073	1.4
65.11371	0.3
67.05510	2.3
69.07068	3.3
71.05007	0.4
71.08643	0.5
71.53636	0.3
75.36325	0.3
77.03937	0.3
79.05511	3.0
81.07061	5.5
83.04956	0.3
83.08617	1.3
91.05493	3.6
93.07055	3.5
95.04979	1.3
95.08056	0.5
95.08613	6.0
97.10172	1.0
98.97605	1.6
105.03419	0.3
105.07049	3.9
107.04963	100.0
107.08611	4.0
109.10159	2.8
116.98572	0.4
117.07020	0.7
119.08592	2.5
121.06519	0.5
121.10158	2.4
123.04466	0.4
123.11709	2.0
127.03920	1.2
131.08571	1.0
133.10120	2.2
135.11682	2.0
137.09589	0.3
137.13283	1.2
143.08517	0.4
145.10135	0.7
147.11707	1.8
149.02319	0.3
149.05994	0.9
149.09657	0.5
149.13283	3.8
151.03908	1.8
153.01836	0.3
158.99655	0.5
159.11742	0.7
161.13326	0.5
163.14836	1.3
165.16422	0.6
169.04977	9.8
169.62619	0.3
173.13368	0.3
177.16464	0.5
184.63284	0.3
197.13376	0.3
219.21097	0.7
231.10194	0.3
250.65495	0.3
257.15747	0.3
257.18997	0.8
265.65900	0.8
274.66391	0.7
275.09122	2.7
275.16901	0.6
275.20078	7.9
275.27313	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	275.0914
Annotation	4,2',4',alpha-Tetrahydroxydihydrochalcone
Peak:m/z	Relative Intensity
53.03951	0.5
55.01872	0.6
55.05503	0.2
56.05040	1.4
57.03431	0.3
60.04528	0.2
65.03930	0.2
67.05502	0.7
68.99772	0.4
69.07067	0.9
70.02942	0.3
70.06607	0.3
70.74253	0.3
70.74586	0.4
71.04974	0.2
73.02928	0.3
76.05112	0.2
77.03915	0.4
79.05495	1.1
81.03426	1.2
81.07061	1.2
82.07420	0.3
83.83544	0.2
84.04501	2.9
84.08166	0.3
85.06519	0.3
86.06923	0.2
86.09709	7.0
87.00705	0.3
88.00229	0.3
91.05488	3.2
93.07066	0.3
94.06542	0.2
95.04979	1.3
95.08627	0.5
96.08137	0.3
98.06086	0.2
98.09715	1.9
98.20805	0.2
99.08096	0.3
100.48232	0.2
102.05562	0.4
105.04496	0.3
105.07011	0.4
107.04961	100.0
108.05292	0.4
109.02920	0.3
110.09727	0.4
111.04443	3.5
113.58858	0.2
115.03794	0.5
116.01711	0.3
116.07074	0.3
118.01249	0.4
119.04953	6.9
120.08114	0.3
121.02856	0.5
121.06441	0.3
123.04433	2.7
126.05535	0.5
127.03876	0.3
130.05051	0.5
133.10112	0.2
135.04424	7.8
135.11665	0.2
136.05193	0.4
137.02347	17.3
137.05949	1.3
139.03893	0.5
141.07014	0.2
144.06630	0.3
145.06502	0.4
146.11761	4.0
147.04420	4.9
151.03937	1.0
153.07048	0.3
156.11288	0.4
158.02744	0.5
158.08044	1.0
158.10039	0.5
159.02992	0.5
160.02312	0.3
161.06073	0.2
163.03893	1.2
165.07014	0.9
169.06427	0.3
170.11778	0.6
173.05952	0.3
181.04935	0.2
183.08011	1.1
184.13330	0.3
185.41208	0.2
187.07675	0.5
191.07097	0.2
198.11417	0.3
211.07579	0.9
212.12808	0.4
215.07069	0.4
229.08604	12.3
232.08101	0.3
239.07045	4.0
243.06795	0.2
243.13327	0.2
246.28043	0.2
257.08112	3.4
257.15952	0.5
258.13452	0.4
261.86722	0.2
275.05264	0.4
275.09204	0.9
275.12567	3.6
275.16861	0.8
275.20053	0.4
296.68579	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	275.0914
Annotation	Phloretin
Peak:m/z	Relative Intensity
50.81785	0.1
51.02372	0.1
53.03935	0.4
55.01867	0.2
60.15821	0.1
67.01868	0.2
67.05491	0.2
69.83655	0.4
69.84062	0.2
75.31169	0.1
77.03926	0.3
79.05487	0.7
81.07067	0.2
85.02890	0.3
91.05482	0.2
93.07041	0.2
93.20661	0.1
95.04979	0.4
102.92786	0.1
105.04505	0.2
105.07023	0.4
107.04961	100.0
108.05288	0.3
119.08604	0.2
121.06506	0.4
121.10177	0.2
123.04422	0.4
127.03915	0.9
129.71416	0.1
131.08601	0.1
133.10164	0.2
147.11700	0.3
148.69920	0.1
149.05997	1.1
151.03896	1.6
159.11748	0.2
169.04977	11.0
187.14850	0.1
257.08176	0.1
261.66568	0.1
275.09128	2.9
275.11914	0.2
275.13794	0.1
275.17331	0.2
275.19925	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95788	0.3
56.96567	7.7
70.95858	0.5
71.51468	0.6
71.95268	2.7
82.99863	0.3
90.43172	0.3
98.97585	100.0
101.00887	2.2
103.00705	0.4
116.98624	31.2
119.01912	2.3
120.27058	0.3
120.29266	0.3
121.01697	0.4
128.97115	0.3
130.93297	1.0
134.99669	5.5
137.02956	0.4
140.00174	0.8
142.03497	0.7
153.00682	0.5
158.01166	0.3
158.99872	0.5
159.49861	0.3
172.94350	4.8
177.00899	0.8
190.95401	2.5
208.96373	0.6
214.95386	3.9
219.01921	0.4
228.90067	0.3
232.96443	4.3
238.95587	2.8
239.95450	2.4
240.45586	0.9
240.49588	0.4
240.95265	1.9
240.98871	0.6
248.96033	2.8
249.46068	1.3
249.99376	1.6
250.97571	1.5
251.46327	3.9
251.96376	1.6
252.49516	0.3
256.96478	21.6
257.96713	1.7
258.96420	2.8
259.96619	0.6
260.46793	4.6
260.96823	1.1
261.03036	1.5
261.46863	0.6
261.50150	0.9
262.97125	1.4
262.99954	0.3
263.47055	0.8
269.46155	0.4
271.97641	0.4
272.47690	0.4
274.97501	71.9
275.97867	0.6
276.97495	0.5
282.99957	0.6
292.98566	26.8
297.99051	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2575
Annotation	Trixagoene
Peak:m/z	Relative Intensity
50.45699	3.4
55.05504	17.4
57.07072	8.6
67.05497	21.2
69.07065	42.8
69.82961	7.0
69.83365	15.2
79.05491	11.2
81.07063	77.1
83.08621	14.2
85.41425	3.9
85.93200	4.0
91.05461	10.4
93.07058	40.0
94.47440	3.6
95.08612	62.8
97.10182	9.8
98.20879	5.6
105.07042	33.5
105.90935	3.6
107.08604	48.9
109.10161	59.3
110.91467	3.7
111.11728	7.5
119.08597	23.6
121.10142	54.2
121.26275	3.4
123.04472	4.1
123.11718	44.2
125.13181	5.1
133.10098	20.9
135.11667	24.0
137.05939	6.1
137.13254	11.0
147.11679	17.4
149.13263	53.5
151.14812	6.5
161.13287	27.8
163.14813	32.4
175.14815	12.8
177.16338	20.0
189.16330	20.8
191.17966	10.8
200.28856	4.0
203.17964	16.2
205.05835	4.7
209.93672	3.7
217.19518	25.8
273.22974	5.4
273.25781	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	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
55.05502	3.2
57.07064	3.0
59.04998	1.4
63.29143	1.2
67.05514	6.6
69.03450	2.1
69.07054	4.2
70.43549	1.5
70.43929	4.1
71.02361	1.3
71.04994	4.7
79.05507	6.6
81.07053	8.8
83.04993	2.8
83.08641	2.4
85.06520	3.2
87.12704	1.2
91.05501	7.5
93.07059	8.2
95.04973	26.6
95.08595	5.9
98.20835	1.5
98.97655	1.3
99.08077	2.1
103.05450	1.5
105.07034	18.7
107.04961	2.9
107.08598	11.2
109.06527	31.7
109.10159	6.1
111.08067	3.7
117.07010	5.2
119.08589	25.8
121.06528	3.8
121.10152	7.7
123.04430	25.5
123.08062	19.1
123.11703	1.8
125.09686	1.6
128.06195	1.9
129.07005	4.1
130.07755	2.8
131.08575	17.8
133.06485	2.1
133.10126	12.2
135.08044	12.5
135.11751	2.4
137.05986	22.2
137.09602	11.2
138.06337	1.7
140.94875	1.3
141.07019	2.4
142.07826	6.3
143.08540	10.6
145.06558	1.6
145.10133	43.4
147.04391	1.8
147.08064	3.7
147.11679	16.0
149.05980	3.2
149.09625	3.3
151.07567	2.4
151.11201	2.9
155.08577	4.4
156.09366	11.4
157.10124	24.0
158.10899	4.2
159.08054	3.0
159.11700	14.8
161.09615	6.0
161.13203	3.7
163.07579	7.4
163.11183	2.7
167.08507	1.6
169.10139	5.9
170.10884	3.4
171.11702	23.9
173.09639	10.2
173.13289	24.8
174.10457	2.2
175.11180	10.6
177.12772	2.5
181.10144	3.2
182.10954	4.3
183.11708	3.8
185.09637	3.1
185.13255	11.5
187.11186	14.9
187.14786	7.6
189.12746	17.7
195.11719	2.2
197.13269	14.6
199.11212	10.2
201.12767	2.6
203.14351	3.8
207.11743	2.1
211.14867	3.9
212.15675	2.3
213.12778	4.2
213.16356	14.4
215.12257	2.4
215.14333	42.4
217.12357	7.5
222.14154	1.9
227.14291	1.6
227.17908	3.0
229.15881	3.3
231.13600	1.5
231.17427	16.7
237.16370	3.0
238.84549	1.3
240.15154	2.3
243.13753	1.5
245.18997	2.3
255.17479	27.5
262.84216	1.3
273.18503	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1268
Annotation	7,12-Dimethylbenz[a]anthracene 5,6-oxide
Peak:m/z	Relative Intensity
55.01874	15.1
55.05518	5.2
56.05040	7.7
58.99590	2.8
61.01147	3.0
63.05901	1.0
67.05490	3.3
68.05022	2.3
70.47627	1.1
71.48424	1.2
72.04521	5.9
73.02895	1.7
73.97316	0.9
74.00660	2.0
76.02222	2.2
79.05499	20.6
80.05011	4.2
81.05791	1.4
81.07060	17.9
82.06577	7.5
84.04505	14.0
85.01134	50.2
86.00658	17.3
86.99062	2.5
88.02206	2.5
90.05575	14.0
92.01701	2.0
93.07039	2.9
94.06538	5.0
95.04996	1.8
95.07361	1.5
95.08604	5.0
96.08130	9.3
97.01129	4.0
97.08906	4.3
98.09107	1.9
98.09698	23.5
100.02192	1.5
104.01695	6.1
105.07024	4.8
107.07332	1.9
108.08102	3.0
109.08894	2.4
109.10136	1.2
110.09692	10.7
111.02684	1.4
113.04239	40.7
116.01675	11.4
121.10093	1.3
122.09680	9.8
123.04434	2.9
123.10436	2.8
126.05522	60.4
127.05072	5.5
131.02759	1.4
137.05922	1.4
137.42296	1.3
139.05757	3.9
143.02756	1.6
144.06570	47.9
153.01848	1.8
156.08437	46.7
158.02707	16.4
170.11769	16.5
176.03806	2.3
185.03712	2.7
191.04857	15.6
203.04884	4.2
238.08911	1.4
255.11673	4.1
256.10016	16.2
273.12698	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	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03936	0.8
53.75998	0.4
54.08294	0.4
55.01874	3.1
55.05513	7.3
57.03416	1.0
59.04995	0.6
65.03927	0.9
67.05177	0.7
67.05509	10.1
69.03432	0.5
69.07065	4.7
71.04986	1.0
71.53506	0.5
73.06572	0.5
79.05062	0.7
79.05495	8.7
81.03396	0.6
81.07059	7.1
83.04964	1.5
83.08162	0.5
83.08609	2.9
91.05481	17.8
93.07045	7.8
95.04967	2.2
95.08611	5.7
97.06537	0.8
97.10148	1.8
103.05458	1.0
104.06318	0.5
104.59161	0.6
105.07035	14.9
107.04942	2.7
107.08588	4.8
109.06517	2.3
109.10155	3.9
111.04481	0.5
111.08080	1.3
115.05466	2.1
116.06228	2.0
117.07023	12.0
119.04974	0.5
119.08580	14.6
121.02892	0.5
121.06518	3.3
121.10127	2.1
123.04431	6.5
123.08058	2.2
125.09606	1.0
125.26304	0.4
128.06216	2.4
129.07010	8.4
130.07785	1.7
131.04909	0.5
131.08574	28.1
133.06494	3.1
133.10146	5.2
135.04413	0.6
135.08054	2.7
135.11652	0.7
137.05975	3.8
137.09589	0.6
141.06992	1.1
142.07750	1.4
143.08563	8.4
145.06491	1.5
145.10129	20.9
147.08052	10.9
147.11687	3.0
149.05954	1.0
149.09616	2.5
151.07507	0.8
151.11134	0.6
153.01891	0.6
155.08574	1.5
157.06526	0.7
157.10127	6.2
159.08076	4.4
159.11702	7.2
161.09596	6.9
161.13271	0.8
163.07536	1.9
163.11127	1.1
167.08516	0.9
169.10164	1.5
171.08006	0.8
171.11697	3.9
173.09653	2.6
173.13271	1.1
175.11183	5.2
177.09116	1.0
177.12787	0.6
181.10123	1.2
183.11668	0.7
185.09608	2.1
185.13300	1.4
187.11218	1.3
189.12775	1.0
195.11662	1.7
199.11098	2.4
199.14815	0.5
203.10640	1.1
205.12216	0.6
209.13176	0.8
211.14836	0.8
213.12732	0.9
213.16435	1.2
217.12234	0.7
217.15906	1.1
227.17969	2.8
231.17389	0.6
234.59709	0.5
237.16386	2.9
245.18947	2.8
255.17412	10.0
273.18503	100.0
273.29880	1.2
274.18643	0.5
274.27432	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1123
Annotation	Neovestitol
Peak:m/z	Relative Intensity
53.03944	0.8
55.01872	1.2
65.03927	0.4
67.05502	2.2
68.99797	2.1
69.49577	1.7
69.49979	0.5
79.05502	4.0
80.92518	0.4
81.07049	2.2
85.01139	0.6
91.05495	1.4
93.07043	1.4
94.04193	0.6
95.04971	4.2
95.08604	0.7
103.05484	5.2
105.03420	0.4
105.07050	3.3
107.04964	5.6
109.06526	4.6
113.04259	0.9
115.05480	0.4
117.07012	0.5
118.20918	0.3
120.05700	0.5
121.06490	3.1
123.04438	100.0
125.05991	0.4
126.05556	1.0
131.04958	1.5
132.05690	0.4
133.06514	0.9
134.03687	0.4
135.08057	7.1
137.05988	71.4
141.07071	0.4
143.08545	0.4
147.04437	0.7
148.05193	0.9
149.05998	9.1
151.07584	2.1
151.87767	0.3
153.01836	0.8
156.08467	0.8
161.05991	0.8
163.07558	27.2
167.93723	0.3
187.07588	0.4
189.05545	0.4
201.09097	1.2
217.04993	0.3
227.10555	0.4
232.07283	1.1
237.62178	0.3
241.08643	0.3
255.10179	0.5
273.07779	0.8
273.11102	8.1
273.18457	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1122
Annotation	Neovestitol
Peak:m/z	Relative Intensity
53.03952	0.9
55.01876	1.2
55.05511	1.1
57.62036	0.4
63.26184	0.6
67.05497	2.4
68.99789	1.5
69.07079	0.8
69.99825	1.9
79.05112	0.5
79.05510	4.6
81.07079	2.2
83.08633	0.6
84.32736	0.4
91.05495	1.9
93.07043	2.3
95.04971	4.0
95.08614	1.9
97.10132	0.5
98.21429	0.6
103.05476	5.7
105.04529	0.4
105.07056	3.9
107.04956	18.4
107.08597	1.0
109.06569	0.6
109.10167	1.1
113.81252	0.4
117.07010	1.2
119.08566	1.0
120.05686	0.7
120.08141	2.4
121.06530	1.8
121.10220	0.5
122.03644	0.9
123.04437	100.0
125.05997	1.6
131.04950	1.9
132.05710	0.7
133.06496	1.5
133.10141	0.9
135.05551	1.7
135.08069	7.1
135.11729	0.5
137.05986	75.5
138.06461	0.5
140.29028	0.5
143.08568	0.6
145.06558	0.7
147.04408	0.8
147.11705	0.7
148.05199	1.0
148.07582	4.2
149.05989	3.3
150.09119	0.8
151.07573	3.2
153.01826	1.2
157.10120	0.6
161.09673	0.6
161.13316	0.4
163.07556	39.8
171.11714	0.4
174.41350	0.4
238.87003	0.5
245.16510	0.7
255.17525	0.6
260.60217	0.4
273.07736	0.8
273.11203	1.8
273.15781	3.0
273.18610	1.7
273.25922	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	Butein
Peak:m/z	Relative Intensity
53.03950	1.1
55.01870	1.7
55.05510	1.6
57.03439	1.7
67.05501	3.0
68.99800	1.7
69.03423	1.2
69.07069	1.1
69.76551	2.9
70.49648	0.6
79.05491	2.6
81.03424	8.7
81.07054	2.2
83.04986	1.0
85.02905	2.1
85.06561	0.8
87.00813	0.9
89.03929	3.6
91.05479	2.9
91.44411	0.6
93.03426	1.3
93.07041	2.5
95.04979	2.3
95.08610	2.5
96.02143	0.8
97.02919	1.0
97.06524	0.7
97.10175	0.6
99.04464	0.6
105.07034	2.5
107.04961	4.1
107.08650	0.9
109.02885	1.0
109.06498	0.9
109.10166	1.5
111.04430	2.7
117.03391	9.5
119.04953	1.8
119.08582	1.4
121.06507	1.3
121.10163	1.0
123.04436	7.1
126.05589	0.7
127.03936	1.1
129.06949	1.3
131.08583	1.9
133.06531	1.0
133.10088	1.1
135.04431	12.0
135.11661	1.3
137.02345	96.6
137.05910	3.8
139.03899	2.3
141.06975	1.1
145.02843	8.3
145.10127	1.1
147.04413	2.2
149.05995	1.8
149.13321	0.8
151.03928	0.8
152.06334	0.9
153.01843	4.9
153.07001	2.2
155.03389	1.2
157.06531	0.8
157.10112	2.1
159.11722	1.0
163.03918	57.4
163.07568	1.8
164.98460	0.8
169.05032	0.7
171.08145	0.6
171.11664	0.8
175.07526	0.6
181.06458	7.8
181.10025	0.8
185.06020	0.8
187.07469	1.6
199.07492	1.3
209.06071	3.6
212.22058	0.7
213.05510	1.5
227.07034	3.8
233.40320	0.7
237.05544	1.5
241.08481	0.8
255.06555	9.9
255.17537	0.8
258.05219	3.2
273.07581	100.0
273.18521	6.0
273.22928	0.8
273.25787	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	273.0758
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.01855	0.4
55.74049	0.2
64.09010	0.3
65.03937	0.3
67.01861	2.1
67.05487	0.6
68.99789	1.6
69.03436	1.4
69.07074	0.3
69.10326	0.3
69.57668	1.8
72.08160	0.4
79.05505	0.5
81.03416	0.5
81.07051	0.7
83.01325	0.6
85.02905	0.5
91.05486	6.7
93.07091	0.3
93.72871	0.3
95.04964	2.4
95.08603	0.8
97.02883	1.0
103.05461	0.6
105.07036	0.6
107.04968	4.0
107.08572	0.4
109.10181	0.4
110.50302	0.3
111.00782	0.4
119.04950	16.5
119.08553	0.3
121.02895	0.4
121.06491	0.9
121.10110	0.4
123.04434	14.1
125.02428	0.3
125.06039	0.3
131.04941	0.4
131.08589	0.4
135.08038	0.6
137.05986	8.2
145.10121	0.4
147.04419	42.8
149.05986	0.6
151.03882	0.9
151.07529	0.6
153.01834	100.0
154.02148	0.7
161.05992	0.3
163.07555	3.9
164.33165	0.3
166.16647	0.3
171.02910	1.9
179.03423	0.6
181.06500	0.4
189.05437	1.0
191.71689	0.3
194.26347	0.3
207.06508	0.3
213.05394	0.3
231.06676	0.4
232.74054	0.3
239.50076	0.3
245.08066	0.4
255.06509	0.8
255.17160	0.4
273.07578	80.6
274.07993	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
57.83838	0.4
67.01875	2.3
68.99805	1.5
69.03429	1.0
69.16958	2.0
69.17365	2.0
91.05482	5.6
91.73141	0.4
95.04963	1.8
97.02884	0.5
107.04976	1.9
107.57386	0.4
116.74463	0.4
119.04106	0.9
119.04948	15.9
121.06539	0.9
123.04439	3.5
125.02232	0.4
130.06482	0.8
132.08096	1.0
147.04414	44.5
151.03961	0.5
153.01833	100.0
159.09190	1.7
169.07590	0.5
170.06035	0.8
171.02849	2.2
179.03419	0.9
184.07516	0.8
185.07173	0.7
189.05460	1.2
196.40498	0.4
200.07060	0.5
215.07043	0.7
227.08162	0.6
245.09152	2.1
273.07568	85.3
274.07980	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01875	2.7
68.99797	1.2
69.03427	0.8
69.85940	0.8
69.86334	0.6
73.16648	0.3
81.60081	0.3
91.05489	5.7
95.04982	1.4
97.02872	0.8
107.04977	2.2
111.00827	0.5
113.03593	0.4
119.04956	15.0
121.02843	0.6
121.06528	0.4
123.04440	4.1
147.04422	45.3
151.03886	0.6
153.01839	100.0
161.05965	0.3
164.90660	0.3
171.02895	1.9
179.03432	0.9
189.05482	1.2
198.25319	0.3
199.57518	0.3
204.03479	0.3
217.39299	0.4
255.06567	0.7
263.06366	0.3
273.07587	89.2
274.07776	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.113
Annotation	(S)-Tetraphyllin A
Peak:m/z	Relative Intensity
51.28582	0.4
52.13384	0.3
53.03941	0.9
55.01876	1.3
55.05511	1.5
56.05020	0.4
56.31292	0.3
56.96567	9.4
57.03434	3.1
58.06580	0.5
59.05008	0.4
61.02920	2.7
61.20214	0.3
65.03932	2.0
67.05503	0.5
69.03430	7.2
69.07060	0.4
69.99548	1.7
70.06601	1.1
71.04994	1.3
73.02924	2.3
79.05480	0.6
81.03427	3.6
81.07052	1.7
83.01336	0.4
83.04990	0.5
83.06109	1.6
84.08144	0.7
84.96040	3.4
85.02909	15.3
86.09715	0.7
87.04469	1.6
88.35675	0.3
89.00716	0.4
91.03967	1.1
91.05482	0.4
91.06554	0.4
91.95909	0.4
92.05008	20.4
93.04566	0.6
93.05795	1.4
94.06578	2.1
95.06089	2.0
96.08147	0.7
97.02898	6.5
97.07648	1.2
97.96786	0.4
98.03228	0.4
98.97586	14.1
99.04448	1.4
101.00838	1.3
109.02876	2.3
110.06046	100.0
110.07144	13.0
110.97559	1.7
112.07585	1.0
112.08733	0.7
112.99130	1.6
115.00704	0.8
116.98627	4.4
119.01833	0.7
124.99128	3.3
126.97062	0.6
127.00590	0.5
127.03898	3.2
128.98625	0.8
131.00154	0.7
131.01944	0.6
133.01672	0.5
134.99677	0.8
138.05466	0.5
140.02304	0.5
140.98599	1.2
142.01738	0.4
143.00151	4.1
143.01891	0.9
143.08150	0.7
144.98085	0.9
145.01768	0.4
145.03375	0.6
145.04977	2.0
146.99586	0.5
147.02965	0.3
147.04411	0.8
152.07053	0.8
153.05774	0.6
155.04639	1.1
156.07681	1.4
157.03484	0.5
158.01184	0.4
158.99699	2.9
159.03078	0.5
161.01224	2.2
161.02902	0.8
161.06653	0.8
162.06288	0.6
163.04405	0.6
163.12309	1.4
168.03462	0.6
169.03368	0.5
170.99614	0.9
173.01170	1.1
174.04605	0.5
174.53773	0.9
174.55182	0.5
175.02826	0.7
175.04263	0.8
177.00633	1.9
178.04951	0.6
182.03378	1.0
182.05101	0.7
182.99779	0.5
183.04086	0.6
183.54266	1.5
184.04779	2.1
185.01291	0.4
186.04494	0.6
187.04536	0.5
189.00670	0.8
191.02359	0.5
191.03931	1.2
191.05632	1.1
192.04755	0.5
198.04343	0.4
198.13617	0.4
200.04425	0.9
200.06189	0.4
201.00737	0.6
201.12238	0.5
203.02274	0.7
203.04013	0.5
205.00153	1.2
208.14522	1.8
219.01756	1.0
223.01198	1.5
226.15533	3.0
227.06683	0.5
230.03325	1.2
230.98099	0.6
231.01741	0.5
231.07281	1.0
248.08052	0.6
248.99184	2.1
249.02821	1.1
249.08336	1.3
251.04306	0.5
254.10219	0.9
254.15018	3.0
267.00168	1.5
269.05334	0.5
271.57648	2.1
272.04373	0.6
272.08173	2.2
272.11218	15.9
272.16006	16.3
272.58459	0.4
273.09451	0.9
289.07593	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59863	0.3
53.03934	0.7
55.01867	0.4
55.05514	10.4
57.03413	0.4
57.07074	3.2
65.03932	0.6
67.05505	8.8
68.99802	0.9
69.03427	0.4
69.07071	16.3
70.03963	0.3
70.79077	0.8
71.04980	1.0
71.08628	1.0
73.06561	0.3
77.22787	0.3
79.05495	7.9
81.03415	0.4
81.07061	14.8
82.02910	0.4
83.04974	0.8
83.08143	0.5
83.08625	10.2
85.02918	0.4
85.06527	1.4
85.10180	0.7
88.68534	0.3
89.24464	0.3
91.05480	4.2
93.07042	6.3
94.04174	0.9
95.04972	1.9
95.08611	13.0
97.06541	1.9
97.10175	10.3
98.09682	0.8
98.97605	0.7
99.08099	1.1
105.03387	0.7
105.07033	3.6
107.04947	0.9
107.08592	5.0
109.02856	0.3
109.04912	0.4
109.06525	10.0
109.10162	5.6
111.08083	1.4
111.11739	3.7
113.09620	0.5
117.07034	0.6
119.04955	1.2
119.08570	3.7
121.02829	0.4
121.06516	1.1
121.10157	5.5
123.04435	12.7
123.05332	0.7
123.08098	0.9
123.11705	2.6
125.09634	1.3
125.13276	1.3
127.07538	0.6
129.63718	0.4
129.64839	0.4
131.08594	0.5
133.06555	0.5
133.10143	4.5
135.04367	0.8
135.11713	5.3
137.05981	100.0
137.09612	1.1
137.13239	2.1
138.06316	0.6
139.11157	1.6
140.83398	0.4
141.09079	0.5
145.10098	0.6
147.04408	5.5
147.11681	3.5
149.05960	0.7
149.13286	1.7
151.03915	10.6
151.11172	1.7
151.14839	1.3
153.01834	0.6
153.07034	0.6
153.12766	1.8
155.08650	0.6
157.12181	0.5
159.08063	0.5
159.11685	0.7
161.05995	8.6
161.13281	3.2
163.03888	1.6
163.14833	0.5
165.07025	1.9
165.12746	1.9
166.32791	0.4
168.05746	0.4
169.12320	0.5
173.09653	0.6
175.14893	1.8
177.05490	0.7
179.14362	1.4
183.08073	1.1
189.16444	1.1
190.54323	0.4
191.17961	0.6
193.06444	0.6
193.15936	0.6
193.19522	1.1
196.21883	0.4
197.15393	0.4
201.05424	0.4
201.16371	0.4
210.06764	0.4
211.07571	1.2
211.14835	0.4
215.17885	0.6
217.19525	8.1
228.07765	0.6
235.20584	6.9
239.06920	0.4
242.05696	0.4
243.06058	2.0
243.10191	1.6
253.16042	0.4
253.21652	3.6
256.07175	0.5
271.06009	7.5
271.09683	18.4
271.17218	1.0
271.24207	1.6
293.49295	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.3
53.03938	1.1
55.01862	0.7
55.05514	10.2
57.03441	0.6
57.07074	2.2
58.53330	0.4
63.99186	0.4
65.03943	0.7
66.50815	0.4
67.05509	9.5
68.99802	0.7
69.03410	0.5
69.07071	18.3
69.53882	2.9
71.04986	1.1
71.08629	1.0
79.05501	6.9
81.07065	15.5
83.04984	1.2
83.08623	11.1
85.02876	0.5
85.06535	1.6
91.05489	5.0
93.07056	5.0
94.04193	1.2
94.07382	0.4
95.04960	1.4
95.08612	14.5
97.02876	0.6
97.06534	2.2
97.10177	10.3
98.09705	0.6
98.97603	0.7
99.08082	1.1
103.03935	0.5
105.07049	4.2
107.04939	0.9
107.08605	4.4
109.06523	9.4
109.10165	5.7
111.08086	0.6
111.11740	4.4
113.09630	0.4
119.04964	1.4
119.08594	3.4
121.06494	1.1
121.10150	6.3
123.04436	13.2
123.08052	0.5
123.11725	2.6
125.06056	0.4
125.09646	0.9
125.13288	1.7
127.11209	0.5
131.04962	0.5
131.08632	0.6
133.06554	0.5
133.10133	4.2
135.04410	0.5
135.11690	6.0
137.05983	100.0
137.09625	1.2
137.13274	1.4
138.06348	0.6
139.11176	1.3
145.10175	0.5
147.04419	4.9
147.11682	4.6
149.05980	1.5
149.13290	1.6
151.03911	12.6
151.11176	1.4
151.14804	1.7
153.01874	1.0
153.06926	0.6
153.12712	1.3
155.08562	0.9
155.10692	0.6
159.08080	0.7
159.11668	1.0
161.06000	8.8
161.13268	2.7
163.03928	1.5
163.14766	0.5
165.07027	2.0
165.12796	2.0
175.14821	1.5
177.05466	0.9
179.14296	1.1
181.06485	0.5
183.08076	1.3
189.16370	0.5
193.06430	0.7
193.16060	0.5
193.19438	0.7
210.06908	0.4
211.07628	1.3
217.19524	9.2
235.20567	6.5
243.06126	1.8
243.10211	1.4
253.21663	3.5
255.11145	0.6
271.06018	10.7
271.09692	14.9
271.14175	0.7
271.17230	0.7
271.24246	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05272	0.6
55.05513	8.2
57.03423	0.7
57.07052	2.1
57.98234	0.5
67.05507	7.8
69.03413	0.5
69.07070	11.6
69.43195	3.8
70.07412	0.4
71.04984	1.0
71.08627	0.7
79.05508	3.3
80.05782	0.5
81.07065	10.1
82.07386	1.3
83.04968	0.7
83.08625	9.0
85.06528	1.1
91.05484	2.9
93.07037	4.6
95.04961	0.9
95.08055	0.7
95.08611	9.6
97.06521	2.5
97.10177	7.1
99.08080	0.7
105.07027	2.2
107.04933	1.6
107.08601	3.0
107.09199	0.5
108.05293	0.6
109.05445	0.4
109.06491	1.1
109.10169	4.3
111.08039	0.9
111.11718	3.5
118.04156	2.5
119.04485	1.9
119.08592	2.5
120.04713	0.9
121.10136	4.7
123.11704	2.0
125.09635	0.9
125.13239	0.7
133.06467	0.6
133.10133	4.1
135.11713	3.7
137.02200	0.7
137.05952	1.9
137.09644	1.1
137.13277	1.4
139.02742	0.5
139.11182	1.3
147.11707	2.5
149.13295	1.2
151.11180	1.3
151.14783	0.7
153.01855	0.6
153.12762	1.0
156.03111	0.6
159.08015	0.6
159.11641	0.9
161.13258	2.1
163.07266	0.4
165.06958	0.5
165.12747	1.4
169.06416	0.4
169.12305	0.4
169.81721	0.4
175.14783	0.7
176.39169	0.5
179.14302	1.1
181.06464	0.6
193.15968	0.6
193.19487	0.6
197.06036	0.9
198.06497	0.9
199.06586	2.6
200.07411	0.8
213.09074	1.7
214.09459	1.6
215.09767	5.2
217.19553	5.4
227.06293	1.9
228.06824	4.3
235.20602	5.6
237.05466	0.7
238.05618	0.5
239.06042	6.1
243.09467	0.6
253.21646	2.9
255.05553	5.8
256.06339	6.7
271.06046	7.2
271.08676	100.0
271.17993	1.8
272.08862	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1904
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03940	2.4
55.01865	3.9
55.05518	39.3
57.03443	30.8
57.07080	1.4
59.81233	1.2
65.03944	2.6
67.05508	59.3
68.99802	1.3
69.03432	2.8
69.07074	33.0
71.04723	1.1
71.05004	12.8
73.06546	1.8
78.72698	1.1
79.05070	1.8
79.05504	26.8
81.03433	1.5
81.07063	87.2
83.04973	5.4
83.08626	22.8
85.06558	11.2
91.04980	1.8
91.05492	22.6
93.07050	23.3
95.04976	1.5
95.08614	100.0
97.06525	14.5
97.10178	7.6
97.40924	1.3
98.20744	3.3
99.08092	5.1
101.06026	2.5
105.07042	22.0
107.08601	12.5
109.06506	3.5
109.10175	20.4
111.08099	6.0
117.07018	1.8
119.08598	29.1
121.10162	6.0
123.08080	3.9
123.11729	3.6
127.07614	2.1
133.10136	26.1
135.11676	8.5
137.05968	2.5
137.09621	4.1
137.13268	7.0
145.10066	1.6
147.11714	2.5
149.13301	1.9
151.11224	4.5
153.01822	3.9
154.02216	3.7
159.11710	1.6
161.11986	2.6
161.13274	34.4
179.14328	18.7
187.14870	1.7
197.15430	2.2
215.12737	1.3
243.06096	27.7
253.18010	7.1
269.47174	1.4
271.05798	39.4
271.09286	3.7
271.15695	4.0
271.19083	98.9
271.24207	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	271.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01871	1.9
55.02388	0.5
55.05513	15.4
57.03441	10.1
57.07073	1.9
64.77928	0.5
65.03942	10.6
67.01865	0.7
67.05508	24.6
68.99802	1.2
69.03423	1.2
69.07072	13.7
70.81014	0.5
71.04990	5.3
71.08635	1.0
71.54131	0.9
73.06546	0.6
79.05498	12.5
81.03420	1.0
81.07062	39.5
83.04968	2.2
83.08620	9.7
85.02901	1.0
85.06544	4.7
85.57233	0.5
87.04449	0.6
91.05482	12.0
92.36928	0.5
93.07053	10.7
95.04999	2.5
95.08612	42.7
97.06536	7.3
97.10172	2.5
99.04427	1.0
99.08127	3.2
101.05963	0.7
105.07032	10.4
107.04970	1.4
107.08601	6.0
109.02882	1.6
109.06519	5.8
109.10149	8.1
111.04432	1.8
111.08075	2.3
113.09639	0.6
117.07039	1.1
119.04939	1.1
119.08593	10.8
121.02877	1.1
121.04012	1.5
121.06519	0.8
121.10149	3.7
122.35985	0.5
123.04416	3.7
123.08086	3.0
123.11718	1.4
125.09612	0.8
127.03873	0.7
127.07616	0.7
131.04953	1.0
131.08534	1.5
133.10139	8.0
135.11711	4.2
137.02345	1.6
137.05988	36.6
137.09589	1.8
137.13252	2.5
141.07033	0.9
145.06529	0.7
145.10124	1.6
147.04381	1.8
147.11688	1.4
149.02383	0.6
149.05986	0.8
149.13287	1.5
152.06149	0.6
153.01822	2.4
153.06984	1.3
155.08545	1.0
157.06532	0.8
159.08032	0.7
159.11699	2.1
161.05989	3.0
161.11972	1.1
161.13274	14.6
163.03938	1.4
165.06955	3.1
168.05716	0.7
169.06525	1.2
173.06026	0.7
173.13202	0.8
175.14821	0.6
179.03423	7.1
179.14343	5.4
181.06424	1.1
182.07271	0.5
183.08069	2.0
185.05966	0.9
187.14856	1.0
189.16356	0.7
193.06514	0.6
193.68240	0.5
195.62141	0.5
197.05971	1.2
197.15451	0.9
201.05475	1.6
201.16428	0.9
211.07541	2.2
211.10928	0.5
215.07045	4.8
215.18008	1.0
217.15912	0.5
221.06012	0.8
222.33257	0.5
225.08971	0.5
228.04227	0.6
229.04984	11.9
239.07152	0.6
243.06439	2.8
243.10217	1.4
253.08543	0.7
253.18042	1.2
255.57399	0.6
256.07431	0.6
262.62491	0.5
271.06030	100.0
271.09512	9.8
271.19073	37.5
271.23758	5.2
272.06311	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1903
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
50.13602	1.4
53.03949	1.9
54.81098	1.6
55.01870	3.9
55.05268	2.2
55.05512	33.4
56.77057	1.3
57.03442	29.7
57.07084	2.8
63.12378	1.4
65.03943	2.1
66.73373	1.4
67.05510	61.0
69.03422	2.3
69.07072	36.0
70.77031	3.8
71.04987	12.0
73.06559	1.8
79.05500	23.8
81.07061	90.4
83.04977	6.4
83.08622	23.5
85.06547	11.8
89.08894	1.4
91.05485	24.3
91.52865	1.4
93.07050	23.9
95.05005	2.1
95.08613	99.8
97.06525	17.3
97.10173	5.2
99.08070	5.5
99.73159	1.5
101.05994	2.0
102.23016	1.7
105.07046	22.2
107.08617	13.4
109.06528	3.0
109.10165	19.3
111.08100	4.4
113.09611	3.2
117.07023	3.6
119.04978	1.9
119.08604	23.8
121.10152	6.9
121.49319	1.5
123.08071	5.8
123.11682	2.8
126.05141	1.8
131.08563	3.5
133.10149	21.4
135.11691	10.7
137.05971	4.8
137.09612	4.8
137.13240	9.2
145.10139	1.7
147.11681	2.5
147.44318	1.5
149.13242	3.6
151.11211	4.3
153.01871	5.8
154.02173	5.9
159.11736	2.7
161.13266	38.0
175.14769	2.0
179.14319	16.8
215.12804	1.8
226.14885	1.6
242.05708	5.0
243.06111	52.2
253.18048	4.9
265.21332	1.8
271.05765	61.7
271.09293	3.5
271.19070	100.0
271.23697	11.8
286.00952	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1444
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
53.03926	0.7
55.05512	4.4
56.05003	0.7
57.03438	3.3
57.07077	1.1
65.03925	0.7
67.05505	15.6
69.07053	1.6
70.83255	1.5
71.04973	1.7
71.69355	0.5
75.74004	0.6
79.05495	5.5
81.07059	24.1
83.04961	1.3
83.08583	2.4
83.58974	0.6
85.06517	2.4
91.05486	5.2
93.07024	2.4
94.06562	0.7
95.08611	3.2
96.08099	1.6
97.10156	0.9
99.04447	0.7
100.00950	0.8
105.07043	3.0
106.06559	1.0
107.04919	0.7
107.08562	2.5
108.08124	5.1
108.08800	0.9
109.02888	1.4
109.06477	1.8
109.10178	4.2
119.04938	0.7
119.08524	1.3
120.08073	0.7
121.06495	0.7
121.10168	0.6
123.04462	1.0
123.11701	4.0
124.07524	0.7
126.84634	0.6
129.06963	0.8
131.08537	1.0
133.10132	6.2
134.06013	0.8
135.08038	0.8
137.05975	9.8
143.08467	0.6
147.04381	0.6
148.07570	0.9
151.11201	4.0
151.90004	0.6
153.01814	1.3
153.23715	0.6
155.08504	0.8
157.10086	0.9
159.08003	4.7
159.09195	1.4
161.09595	0.8
163.03932	0.7
168.08066	4.5
169.08939	2.7
169.10110	1.0
169.12262	0.7
170.09564	1.3
173.09567	0.7
174.09077	0.8
181.10065	0.9
182.09622	2.4
183.09123	0.7
183.10434	8.4
183.13022	0.6
184.09866	1.2
185.10736	1.0
186.11469	1.4
187.13297	1.3
196.07541	2.3
197.08340	3.9
198.09053	0.8
198.12810	7.1
199.08672	4.3
199.12233	1.2
205.29347	0.6
210.09114	1.3
210.11311	0.9
211.09889	7.7
212.09436	1.3
213.10236	8.4
214.10954	2.7
214.32555	0.6
215.15407	2.6
225.11169	1.0
226.10324	1.2
226.12302	16.6
227.08148	1.4
227.11792	18.6
228.12590	20.5
240.08913	1.1
241.09650	2.4
241.13281	1.1
242.10513	1.3
243.12733	0.9
243.14958	16.0
253.13301	2.3
254.11627	1.4
255.11299	32.2
256.12073	39.4
269.12680	1.4
271.06082	19.0
271.14404	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0966
Annotation	(-)-Medicarpin
Peak:m/z	Relative Intensity
51.25688	0.1
53.03943	0.6
65.03947	0.3
66.04721	0.3
67.05507	0.5
68.99791	0.4
69.71110	0.7
77.03936	0.2
79.05498	3.7
81.07056	1.9
91.05490	0.7
94.04188	1.3
95.04971	1.1
98.21484	0.2
105.03394	0.3
105.04531	0.1
105.07008	0.2
107.04952	0.5
109.06522	10.7
118.04163	0.2
119.04949	0.5
121.06518	0.7
123.04432	10.5
131.04955	0.2
133.06543	0.3
133.10081	0.2
135.04422	0.6
137.05983	100.0
138.06332	0.2
146.03636	0.3
147.04419	3.6
147.05531	0.2
148.05188	0.2
149.06003	1.0
161.05988	7.9
162.06741	0.2
163.03896	1.1
177.05499	0.5
183.08182	0.1
201.09050	0.1
211.07614	0.2
213.05417	0.2
216.88853	0.1
225.09123	0.3
243.10120	0.8
253.08699	0.3
256.07376	0.3
271.06155	0.9
271.09644	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	271.0967
Annotation	(-)-Medicarpin
Peak:m/z	Relative Intensity
53.03941	0.8
54.41096	0.3
55.01870	0.4
59.71280	0.3
67.05515	1.4
68.99799	0.4
70.92260	0.3
70.92591	0.5
79.05495	3.9
81.07060	3.3
85.06537	0.3
91.05490	2.8
93.07044	0.6
94.04182	1.6
95.04977	2.9
95.08601	0.8
105.03427	0.3
105.04519	0.5
105.07034	0.4
107.04969	1.8
107.08572	0.6
109.06528	9.5
109.10163	0.9
119.04964	3.0
119.08604	0.3
121.02804	0.3
121.06516	15.1
123.04433	16.8
123.11678	0.4
133.06509	0.5
133.10153	0.8
135.04402	0.6
137.05988	100.0
147.03232	0.5
147.04420	12.0
149.05991	17.8
151.03960	1.1
151.11154	0.7
159.08099	0.6
161.04643	0.4
161.05994	7.6
162.06825	0.4
163.03922	1.3
165.07095	0.5
177.05550	1.7
182.81348	0.3
183.08121	0.3
199.32434	0.3
206.88438	0.3
211.07587	0.6
243.10123	1.5
271.06076	5.2
271.09671	11.2
284.40997	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0603
Annotation	Apigenin
Peak:m/z	Relative Intensity
51.33772	0.2
53.03923	0.2
55.01858	0.3
55.05519	2.0
56.33627	0.2
57.03448	1.2
65.03934	0.2
67.01869	1.2
67.05504	2.5
68.99807	1.1
69.03442	0.2
69.07071	1.5
70.04922	0.9
71.04992	0.5
74.34795	0.2
79.05494	1.3
81.07063	3.4
83.04967	0.3
83.08609	1.2
85.06551	0.4
91.05484	2.7
93.07039	0.9
95.08058	0.4
95.08614	4.4
97.06521	0.9
97.10177	0.5
99.08087	0.3
105.07033	0.5
107.04927	0.3
107.08569	0.4
109.06507	0.6
109.10144	0.7
111.00776	0.3
111.08052	0.2
119.04945	3.6
119.08565	0.9
121.02869	1.7
121.10113	0.2
123.04421	0.7
133.10149	0.8
135.04449	0.2
135.11719	0.5
137.05991	5.6
137.07050	0.3
137.09529	0.2
137.13237	0.3
141.06953	0.3
145.02832	1.5
147.04408	0.6
149.02350	0.8
153.01840	9.3
159.04375	0.7
161.05984	0.5
161.13271	1.6
163.03880	0.7
164.36130	0.2
165.07095	0.2
169.06493	0.5
171.02911	0.4
179.14272	0.6
181.06516	0.3
187.03944	0.3
195.33110	0.2
197.06010	0.7
201.05495	0.2
215.07048	2.1
225.05495	0.8
229.05092	0.6
229.08710	0.2
243.06512	1.7
253.04979	0.9
256.06363	0.4
268.52084	0.2
271.06024	100.0
271.19043	4.6
272.06393	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0601
Annotation	Apigenin
Peak:m/z	Relative Intensity
50.78961	0.1
53.03967	0.1
54.77324	0.1
55.01859	0.1
55.05507	0.2
65.03945	0.1
67.01532	0.1
67.01866	1.3
67.05495	0.2
68.99772	0.7
69.00051	0.1
69.07065	0.1
70.06600	0.6
70.92734	0.2
70.93075	0.1
77.40260	0.1
79.05496	0.2
81.07058	0.3
83.04977	0.2
83.08641	0.1
91.05483	1.4
93.07053	0.5
95.04942	0.2
95.08604	0.3
97.06528	0.2
103.96500	0.1
105.07053	0.2
107.08569	0.2
109.02855	0.1
109.06547	0.2
111.00806	0.2
111.08054	0.1
112.07616	0.7
119.04951	4.8
119.08587	0.2
121.02880	1.2
121.06518	0.6
121.10095	0.1
125.02361	0.2
125.06003	0.1
127.03903	0.1
129.01866	0.3
133.06459	0.1
133.10146	0.2
135.07983	0.1
137.05989	0.1
139.07460	0.2
140.07048	0.4
141.06982	0.2
145.02852	1.2
147.11673	0.3
153.01836	10.3
155.52043	0.1
157.06531	0.1
161.13243	0.1
163.03894	0.7
165.07045	0.2
165.12752	0.2
169.06493	0.3
171.02850	0.5
175.11203	0.2
181.06485	0.1
183.07988	0.1
187.03920	0.3
193.12297	0.1
197.05981	0.3
201.05585	0.1
203.07031	0.2
211.03864	0.1
211.07535	0.1
217.12265	0.5
225.05391	0.5
229.05028	0.5
235.13287	0.3
243.06532	0.7
247.06070	0.1
253.14355	0.2
271.06015	100.0
272.06424	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.06
Annotation	Apigenin
Peak:m/z	Relative Intensity
55.01867	0.2
55.05500	0.4
57.03430	0.3
57.07050	0.2
59.71818	0.2
61.04032	0.2
65.03941	0.2
67.01870	1.2
67.05493	0.7
68.99796	1.1
69.03423	0.3
69.07067	0.4
69.55157	1.1
70.06595	4.0
71.04979	0.2
72.08154	0.2
75.72849	0.1
76.01700	0.1
79.05496	0.5
81.03403	0.2
81.07065	1.2
83.04984	0.3
83.08601	0.2
85.02908	0.2
86.09708	0.7
91.05489	1.5
93.07042	0.6
95.04971	0.4
95.08612	0.8
97.02924	0.2
97.06532	0.4
98.21497	0.2
99.04435	0.2
103.83177	0.1
105.07014	0.4
107.04922	0.3
107.08584	0.3
109.02846	0.2
109.10137	0.3
111.00786	0.2
111.11751	0.2
112.07617	2.5
116.07092	1.8
117.07036	0.2
119.04113	0.2
119.04953	4.3
119.08546	0.4
121.02868	1.3
121.06470	0.4
121.10150	0.4
123.04443	0.3
123.08070	0.2
123.11702	0.2
125.44727	0.1
127.03899	0.3
128.10699	0.3
129.01865	0.3
131.08598	0.2
135.08099	0.2
137.02301	0.3
137.05969	0.4
138.43144	0.2
140.07092	1.4
141.07004	0.5
145.02853	1.5
147.04384	0.2
147.11655	0.2
149.02354	1.1
153.01837	10.3
153.07033	0.4
155.04857	0.2
155.08565	0.4
157.06476	0.3
157.10127	0.2
161.02281	0.2
163.03899	0.7
164.46930	0.1
165.07008	1.5
168.05751	0.2
169.06459	0.3
171.02925	1.0
171.08052	0.2
172.14087	0.2
175.11073	0.1
181.06519	0.4
183.04327	0.2
183.08046	0.9
185.05991	0.2
187.03839	0.2
193.06400	0.2
196.05220	0.3
197.05972	0.5
198.06721	0.1
203.07007	0.4
210.06705	0.2
211.07530	1.1
211.13226	0.2
215.07158	0.8
217.12329	0.2
221.05966	0.3
225.05458	0.8
229.04968	0.9
235.13315	0.3
239.07077	0.4
243.06514	1.1
253.05060	0.3
271.06021	100.0
272.06387	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
55.05521	0.2
56.95395	0.1
57.34354	0.1
67.01861	1.1
67.05492	0.4
68.99796	1.1
69.03417	0.4
69.07059	0.2
69.28984	1.3
79.05492	0.3
81.03407	0.5
81.07064	0.4
85.02890	0.3
91.05484	1.7
93.07082	0.2
95.04970	0.2
95.08594	0.4
97.02927	0.2
99.04430	0.4
105.07011	0.2
107.04929	0.3
107.08546	0.2
109.02866	0.7
109.06515	0.6
109.10171	0.2
119.04949	4.4
121.02877	1.3
121.06496	0.2
123.04417	0.4
127.03910	0.6
129.01807	0.3
133.10135	0.1
135.04437	0.2
135.11687	0.1
137.05980	4.1
145.02856	1.4
147.04404	0.3
147.11635	0.2
153.01837	9.6
161.05989	1.5
161.13228	0.2
163.03940	0.9
164.32571	0.1
165.06921	0.3
169.06480	0.2
171.02898	0.5
183.08028	0.2
187.03918	0.3
197.05923	0.3
202.06364	0.2
203.06972	0.4
211.07587	0.3
215.07033	0.2
217.12128	0.2
225.05370	0.7
229.04967	0.7
243.06509	0.9
243.14975	0.2
253.05011	0.2
271.06021	100.0
272.06351	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0603
Annotation	Galangin
Peak:m/z	Relative Intensity
53.03941	0.2
55.01875	0.2
55.05500	0.2
61.04049	0.3
65.03946	0.4
67.01857	0.2
67.05502	0.5
68.99797	1.7
69.03426	0.2
69.07060	0.2
70.06918	0.3
70.07333	0.5
79.05491	0.4
81.03423	0.8
81.07039	0.6
83.08645	0.2
89.03912	0.3
91.05470	0.5
93.07069	0.2
95.01334	0.5
95.04974	0.1
95.08576	0.2
105.07032	0.2
106.65743	0.1
107.04962	0.2
107.08569	0.2
109.02885	0.6
109.06501	0.3
109.10148	0.3
111.04432	0.6
117.03384	0.4
119.04942	0.4
119.08612	0.2
121.02911	0.2
121.04011	0.3
121.06526	1.3
123.04469	0.3
127.03929	0.2
131.08592	0.2
133.10135	0.3
135.04437	3.3
137.02354	9.4
137.05986	3.5
141.07027	0.5
147.04402	0.4
147.11719	0.2
151.11159	0.2
153.01843	0.7
153.06975	0.3
155.03432	1.1
155.04655	0.2
157.06499	0.5
161.02365	4.1
161.06012	0.7
165.07022	0.5
169.06531	0.5
173.05971	0.2
183.07967	0.3
185.06032	0.5
187.07622	0.2
193.06584	0.1
197.06009	0.9
203.03302	0.2
211.07529	0.3
215.07050	0.6
225.05444	0.7
239.07100	0.3
243.06488	0.7
253.05016	0.5
253.16031	0.2
266.08984	0.2
271.06036	100.0
272.06348	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01882	3.1
55.05511	3.2
55.16822	0.5
56.05046	1.7
56.96571	12.0
57.03442	6.9
57.07079	1.5
58.06595	1.0
58.99876	2.0
59.05011	0.8
60.04520	0.6
61.02935	9.4
67.05516	1.2
68.05025	0.9
68.98297	1.3
69.03437	10.4
69.07082	2.6
69.22376	1.2
69.22786	4.4
70.06601	4.8
70.98119	0.8
70.99862	2.9
71.04993	2.5
71.08637	1.5
71.95290	0.9
72.08186	0.9
73.02930	5.3
73.06572	3.7
77.00918	1.0
79.05501	0.8
81.03429	5.5
81.07058	1.1
82.01464	1.8
82.06588	2.1
82.99832	4.9
83.01395	0.6
83.04965	1.3
83.06120	1.3
83.08638	1.4
84.04501	2.6
84.08150	1.6
84.96048	1.6
85.01439	1.0
85.02911	21.4
85.05185	0.9
85.06564	0.7
86.03698	1.1
86.06088	0.9
86.09724	0.8
86.99360	0.8
87.04474	3.4
88.04000	0.5
89.00907	0.7
89.06052	0.7
90.05567	1.4
91.02444	0.9
91.03989	0.9
93.04532	0.7
94.06576	0.7
95.02010	0.7
95.06087	2.3
96.04513	0.9
97.01411	3.0
97.02898	12.9
97.06501	0.8
97.07662	1.8
98.06030	1.2
98.97599	11.9
98.98660	0.9
99.04463	2.8
100.02493	3.4
100.05231	0.9
101.00890	57.4
101.06052	0.6
102.00985	0.7
103.00656	0.7
103.02429	1.5
103.03924	0.8
104.10782	0.9
105.00384	0.6
107.06121	0.9
108.08121	1.5
108.97794	0.6
108.99743	0.5
109.02882	5.2
110.01303	1.4
110.07177	10.3
110.97574	3.0
111.05606	0.6
111.53683	0.7
112.03697	0.6
112.07625	4.8
112.08752	0.6
112.99154	1.4
113.00878	4.1
113.02364	1.0
113.06071	0.8
114.04050	0.7
115.02441	17.2
115.03860	1.2
116.07100	1.5
116.53851	0.6
116.98645	4.2
116.99747	1.0
117.02092	1.7
117.03998	2.9
118.01080	0.6
118.03528	1.7
119.01931	100.0
120.02680	0.8
121.01625	1.1
124.02509	1.2
126.02575	1.2
126.98785	3.6
127.02441	1.3
127.03941	7.4
127.08682	1.7
128.02351	1.7
128.07112	1.2
128.98611	2.4
129.03146	0.8
129.03973	4.6
130.05019	0.6
130.06557	1.0
130.08606	3.1
131.00233	1.2
131.01920	9.2
132.03503	0.7
133.03482	18.4
134.99638	1.3
135.03113	1.6
135.05045	1.0
136.06232	0.8
136.07596	0.6
137.01909	0.5
137.02959	12.5
138.05516	25.6
139.02538	0.8
139.03914	2.0
139.54832	0.6
140.05571	1.2
140.07048	1.8
140.98581	0.8
142.03546	4.7
143.00163	2.6
143.01897	7.4
144.01912	0.6
144.03572	0.7
144.99829	7.7
145.01683	1.0
145.03445	5.9
145.05028	4.7
146.02437	0.6
146.99646	1.8
147.01270	0.8
147.03069	1.5
147.05092	4.4
147.06139	0.7
149.01178	1.2
149.03015	1.3
149.04655	0.8
151.04504	1.8
151.05771	0.8
152.06836	0.8
153.00351	0.7
154.03539	1.2
155.00237	0.6
155.01895	1.8
155.08179	1.5
156.05054	1.6
156.07654	2.0
157.01663	1.0
157.03487	4.7
158.06703	7.1
158.99702	3.7
159.01385	2.9
159.03098	1.2
159.05054	2.1
160.02124	0.8
160.04623	1.2
161.01244	1.6
161.02975	10.2
163.00896	0.6
163.02171	1.0
165.00674	0.6
167.01819	0.7
167.05545	3.5
167.54356	1.1
168.01862	0.6
168.03441	0.6
168.99837	21.9
170.06662	2.7
170.99738	0.8
171.01399	2.9
171.02840	0.6
171.05080	1.3
172.04666	0.9
172.99365	2.6
173.01314	1.1
173.02917	8.2
173.57117	0.7
174.04341	0.8
174.06310	3.7
174.99020	0.6
175.00954	0.9
175.04501	2.9
175.55533	0.7
176.06020	2.0
176.07680	3.0
176.08998	0.6
177.00723	2.8
177.02466	2.6
177.04103	0.9
179.11848	1.0
179.55254	0.6
182.02931	2.9
182.09285	2.4
182.57610	1.1
182.99698	0.8
183.04059	1.7
183.06850	0.9
184.04619	3.3
185.02847	2.9
185.06610	1.3
186.04468	2.0
186.06076	0.8
186.99443	1.1
187.00906	29.8
187.02574	1.3
187.04547	2.1
188.06148	1.0
188.07722	7.3
188.09305	1.0
188.54808	0.9
189.00749	1.4
189.02440	5.2
189.04205	0.7
189.06216	1.0
189.07816	1.8
190.05855	0.8
191.00293	1.8
191.02301	1.0
191.04028	4.2
193.00107	1.3
196.99318	15.0
197.03059	0.6
198.04588	0.8
198.06174	0.8
198.98393	0.6
199.00848	2.4
199.04697	0.8
199.06361	0.8
200.04108	1.3
200.07640	2.1
201.00700	1.7
201.02441	4.0
201.04106	0.9
201.06104	1.0
202.05640	1.6
202.09116	1.0
203.02179	1.3
203.04002	2.9
203.07574	0.7
205.00218	1.2
205.01953	5.5
205.03758	0.9
205.05797	1.4
206.08882	0.8
206.12912	1.1
207.03462	1.3
207.05235	3.8
207.06915	0.9
207.08881	1.1
208.04570	1.0
210.02541	2.0
210.54683	0.7
211.06879	0.6
211.10793	1.1
212.03999	2.6
212.07664	0.9
213.06105	0.7
214.03914	0.7
215.00389	55.0
215.03772	1.6
216.05641	1.4
217.01953	4.3
219.01746	1.9
219.03522	4.6
220.02287	1.2
220.04070	3.4
221.05090	3.1
224.07643	1.5
224.10652	1.2
224.13959	7.6
226.05655	2.7
226.09167	0.9
228.01825	0.7
228.99983	0.9
229.01938	8.1
229.04689	7.9
231.03612	0.6
232.04849	1.0
232.06935	0.9
233.01450	6.9
235.06680	1.0
237.02753	1.4
238.02007	3.0
238.05467	1.7
240.03456	0.8
242.08704	1.5
244.06660	1.2
245.05046	1.5
246.02943	1.0
246.08205	0.6
247.03024	25.3
247.08441	2.5
251.02391	4.6
251.04678	0.9
256.03012	6.0
257.05042	1.3
258.08298	0.7
265.04163	4.2
269.05405	3.0
269.57626	0.6
270.04721	2.7
270.08383	9.5
270.14462	20.4
274.04010	1.9
275.05899	1.0
287.06314	0.9
287.09641	0.6
288.06302	0.7
288.09314	2.5
289.07663	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20908	1.0
53.03948	2.5
55.01865	3.8
55.05265	1.7
55.05512	21.2
57.03444	11.3
57.07067	5.2
65.03922	2.5
66.06312	1.3
67.05508	88.8
69.03436	2.1
69.07070	27.8
71.04996	27.3
71.07484	1.2
71.07836	2.3
79.05495	40.4
81.03413	2.0
81.07059	100.0
83.04979	7.4
83.08620	20.1
85.02899	2.1
85.06545	20.3
91.05484	34.7
91.18991	1.0
92.05860	1.3
92.97630	1.2
92.98291	1.1
93.07048	61.0
95.04984	6.1
95.08611	68.2
96.97676	1.1
97.06532	19.0
97.10162	6.5
98.97580	3.1
99.08099	5.2
101.06026	1.4
105.07035	23.7
107.04958	2.8
107.08598	35.1
109.06509	4.4
109.10159	36.3
111.08083	11.1
113.06024	1.4
113.09631	1.5
117.06999	11.1
119.08593	18.9
121.06509	3.5
121.09322	2.5
121.10152	35.3
123.08089	4.0
123.11703	15.8
125.09611	2.9
127.07524	1.6
129.09109	1.4
131.08574	25.0
133.10139	35.7
135.04465	1.4
135.08052	5.8
135.11690	27.0
137.09641	8.3
137.13261	3.9
139.11212	2.2
145.10123	16.2
147.04417	2.4
147.11700	10.0
149.09636	5.2
149.13269	31.4
151.11162	8.8
153.09152	1.9
157.10156	2.2
159.11700	25.0
161.13248	4.5
163.11189	3.3
163.14804	2.5
165.12723	1.9
167.10716	2.8
167.14317	2.0
173.13281	7.3
175.14847	2.2
177.05508	1.2
177.12749	10.7
179.14343	1.8
181.12270	3.5
187.14742	5.9
189.16415	1.6
191.17940	3.4
195.13759	8.9
209.09834	1.6
209.15329	1.8
215.17975	29.0
226.06265	2.6
233.18999	25.5
238.06287	1.3
238.09688	1.3
240.57228	1.3
241.08595	3.0
251.12466	1.3
251.16362	2.8
251.20078	26.1
253.04939	6.7
254.05708	3.6
269.04788	3.0
269.08099	29.9
269.13602	2.7
269.17453	28.0
269.21170	12.4
274.66470	1.4
288.62616	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.175
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03933	3.4
55.01867	3.5
55.05270	1.1
55.05515	19.6
57.03442	31.2
57.07062	4.1
65.03929	2.6
67.05511	80.3
69.07072	27.5
69.79279	1.5
69.79692	3.7
71.01379	1.2
71.05002	6.7
71.08654	1.0
71.44558	0.9
73.02898	1.1
79.05497	41.4
81.03408	2.3
81.07063	100.0
83.04992	8.0
83.08633	19.0
85.06549	5.2
90.93857	0.9
91.05489	30.0
93.07050	76.9
95.04985	6.1
95.08613	29.1
97.06535	16.3
97.10162	2.4
98.21479	1.2
99.08092	5.4
105.04460	1.1
105.07042	9.9
107.04932	2.6
107.08598	31.5
109.06515	4.2
109.10150	5.7
111.08110	9.8
113.06022	1.0
113.09686	1.1
115.52112	1.0
117.07028	13.2
118.04161	2.9
119.08533	2.2
121.06504	1.6
121.10149	15.6
123.08012	1.3
123.11703	3.6
131.08575	12.2
133.10136	14.5
135.08043	2.4
135.11697	11.7
137.02426	1.0
139.11197	2.5
147.11711	1.6
149.09605	1.2
149.13263	47.7
151.11197	2.3
154.02594	1.3
157.10130	1.6
159.11699	30.4
161.13255	2.5
177.12755	16.6
179.14272	3.5
181.06609	1.3
195.13824	19.8
197.05986	2.8
197.66411	0.9
198.06760	1.4
202.36316	0.9
213.09103	6.3
213.14861	1.4
226.06270	5.3
230.72278	1.0
237.05443	4.8
251.16441	1.0
253.05025	5.0
254.05792	6.3
269.08105	77.3
269.17477	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
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
53.03936	2.8
55.05518	12.1
57.03442	17.1
60.05049	1.5
67.05510	73.1
69.07073	19.7
69.55805	12.3
71.04997	4.3
79.05077	2.9
79.05502	37.8
81.07062	82.0
83.04967	6.8
83.08616	14.4
85.06534	3.7
91.05492	38.1
93.07054	70.5
95.04964	5.6
95.08604	24.7
95.67471	1.8
97.06551	22.3
98.20816	3.1
99.04434	2.4
99.08087	7.8
103.83471	1.7
105.07030	13.9
107.08600	24.6
108.56165	1.8
109.06500	3.7
109.10156	6.7
111.08080	9.4
113.09691	3.6
117.07027	14.2
119.08585	4.8
121.10154	7.8
123.11719	2.1
131.08582	17.1
133.10155	17.8
135.11702	16.5
149.09615	2.7
149.13280	35.8
151.11224	2.7
159.11707	55.5
161.13264	3.4
177.12753	35.6
179.14317	8.4
195.13853	11.8
242.05615	2.0
251.16476	2.9
269.08081	3.4
269.17499	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03934	3.1
55.01870	2.5
55.05272	1.3
55.05515	20.1
57.03443	32.0
57.07085	2.4
57.07396	0.9
65.03925	1.4
67.05512	65.6
69.03452	1.5
69.07076	22.8
70.77652	3.1
71.01360	1.4
71.04984	4.6
77.03917	1.1
79.05498	45.0
81.03395	2.1
81.07063	90.4
83.04987	14.8
83.08627	18.6
85.06535	4.8
91.05489	24.6
93.07052	60.0
93.07530	0.7
94.17802	1.1
95.04966	5.3
95.08609	25.5
97.06539	15.5
97.10185	1.8
99.08101	3.3
105.04487	1.5
105.07030	10.9
107.08607	29.9
109.06526	2.5
109.10158	4.6
111.08088	9.6
113.06023	1.2
117.07020	9.5
119.08590	3.2
121.10154	19.7
123.11700	4.9
131.08588	11.1
133.10121	11.1
135.11726	9.5
139.11191	2.0
146.61540	1.1
147.11638	1.2
149.13272	44.8
151.11191	1.6
159.10455	1.8
159.11716	21.8
167.14339	2.0
172.45628	1.1
177.12781	9.2
195.13802	18.5
213.14792	1.7
236.33330	1.4
269.17499	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03953	3.2
55.01860	4.3
55.05513	21.8
57.03441	42.9
57.07071	3.4
65.03946	1.6
67.05508	81.7
69.06725	2.0
69.07076	30.1
69.57914	1.2
70.78207	2.2
71.04992	5.6
71.08577	1.5
76.91927	1.2
77.03918	1.8
79.05496	49.1
81.03424	1.9
81.07062	100.0
83.04990	10.9
83.08627	19.3
85.06559	5.7
91.05484	23.5
93.07047	74.9
95.04955	5.0
95.08611	27.0
97.06540	15.3
97.10185	3.1
99.08096	4.9
105.07031	9.1
105.53189	1.3
107.08601	39.7
109.06497	2.8
109.10149	4.9
111.08095	10.2
117.07018	13.1
119.08568	2.3
121.06503	1.2
121.10155	22.6
123.11720	2.6
125.09690	1.9
131.08592	10.2
133.10126	9.9
135.11684	15.5
139.11169	3.5
147.11703	3.2
149.09688	1.6
149.13269	58.1
159.11702	22.5
161.13347	1.3
162.02509	1.4
167.14342	1.5
177.12772	15.7
179.14348	1.3
195.13806	20.9
211.55290	1.3
226.06229	11.0
253.04996	4.8
254.05812	4.3
269.08105	35.4
269.17490	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	269.1749
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
53.03939	4.7
55.01860	1.6
55.05514	17.7
57.03440	34.3
57.07061	5.5
65.44145	1.6
67.05508	84.1
69.06732	1.9
69.07073	30.0
70.12317	5.5
71.05000	9.0
79.05499	48.8
80.36838	1.3
81.03408	2.1
81.07062	100.0
83.05002	9.9
83.08619	21.9
85.06528	5.6
91.04977	2.3
91.05489	29.2
93.07050	81.6
95.04945	6.3
95.08055	2.8
95.08611	31.9
97.06532	16.2
97.10146	2.1
99.04423	1.8
99.08082	6.5
105.07033	11.4
107.04971	6.1
107.07870	2.6
107.08600	39.3
109.06528	3.1
109.10165	7.4
111.08101	11.6
117.07028	13.2
119.08590	4.1
121.06466	2.2
121.10142	20.4
123.11720	3.1
125.09660	1.4
128.40253	1.7
131.08588	16.4
133.10118	16.4
135.04417	2.8
135.08080	3.1
135.11714	12.6
139.07460	2.1
139.11145	2.8
147.04399	6.9
147.11696	2.1
149.13269	50.5
151.11098	3.0
159.11703	33.2
161.13249	3.0
167.14137	1.7
169.39037	1.5
177.12740	17.2
179.14212	3.2
195.13799	16.6
226.06181	2.0
237.05432	3.0
238.09619	2.5
246.09067	1.6
251.20189	2.2
253.04967	38.8
254.05684	9.6
269.08096	86.1
269.17496	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	269.1749
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
53.03937	3.8
55.01874	3.8
55.05515	17.7
57.03160	2.1
57.03440	42.4
57.07059	5.4
67.05508	80.2
69.06727	2.6
69.07072	32.1
70.92752	3.4
71.04977	5.4
71.08626	1.9
77.03886	1.3
79.05495	44.4
81.03415	2.9
81.07061	100.0
83.04617	1.2
83.04998	11.7
83.08625	19.3
85.06526	5.4
91.05482	19.5
93.07049	80.7
95.04959	5.4
95.08617	27.2
97.06535	19.3
97.10169	2.5
99.08083	5.2
105.07029	6.2
107.07875	2.0
107.08602	39.8
109.06516	4.1
109.10160	4.5
111.08087	13.1
113.09708	1.9
114.01202	1.2
117.07022	11.5
119.08548	3.2
121.06504	2.2
121.10145	29.9
123.11678	2.0
131.08572	9.6
133.10150	9.6
135.11702	15.1
139.11200	2.6
149.13269	68.1
151.11160	1.3
159.11703	29.5
167.14297	1.9
177.12758	15.0
195.13811	17.4
269.17490	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	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03934	3.5
55.01859	2.8
55.05272	1.4
55.05515	21.6
57.03440	37.9
57.07062	2.3
65.03932	1.9
67.05508	74.0
67.13827	0.8
69.07071	30.3
69.62118	4.7
71.01346	1.3
71.04994	6.4
71.08612	0.9
73.02916	1.0
73.03328	0.8
77.03912	1.1
79.05498	50.1
79.56163	0.8
81.03408	2.3
81.07059	100.0
83.04983	13.3
83.08151	1.5
83.08622	20.5
84.06948	0.8
85.06559	4.9
91.04903	1.0
91.05486	27.9
93.07048	71.6
95.04979	6.8
95.08611	29.5
97.05915	1.4
97.06527	18.7
97.10171	2.0
99.08081	3.8
105.04506	1.4
105.07045	10.4
107.07869	1.8
107.08599	34.3
109.06513	2.8
109.10166	5.0
111.08082	8.8
111.11724	1.4
113.05976	1.8
113.09615	1.1
117.07036	12.7
119.08569	3.0
121.06506	1.3
121.09336	1.4
121.10156	19.4
123.08040	1.2
123.11689	2.9
125.09675	1.0
127.07570	1.2
131.08575	12.3
133.10149	13.5
135.08051	2.7
135.11703	10.8
139.07576	1.0
139.11143	1.6
144.16446	0.9
147.11707	1.7
149.09674	1.2
149.13266	46.1
151.11131	1.1
159.11694	22.3
161.13263	1.1
167.14279	1.8
177.12764	12.1
195.13809	17.3
205.29549	0.9
213.14857	1.6
251.19940	1.0
269.08011	6.7
269.17480	97.2
289.06058	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
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
53.03934	3.5
55.05515	20.5
57.03152	1.7
57.03438	27.9
57.07062	4.0
65.03976	1.4
67.05508	73.6
69.07075	26.2
70.97129	3.2
71.04997	8.3
77.03919	1.7
79.05495	43.3
81.03414	1.9
81.07060	100.0
83.04993	10.4
83.08620	21.9
85.06529	5.3
91.05484	33.9
93.07048	72.7
93.07638	3.4
95.04984	6.6
95.08051	2.5
95.08611	28.2
97.06527	17.2
97.10167	1.5
99.08080	5.5
105.07028	10.7
107.04901	1.7
107.08602	32.9
109.06514	4.1
109.10130	5.5
111.08092	9.7
117.07022	13.3
119.08576	2.6
120.42834	1.4
121.10159	15.9
123.08009	1.6
123.11713	3.1
127.07556	1.3
131.08580	19.2
133.10130	16.8
135.08069	2.1
135.11703	14.9
146.60475	1.5
147.11653	1.9
149.09673	2.5
149.13264	46.1
151.11208	2.5
159.11694	36.0
177.12753	21.3
179.14299	4.2
195.13829	20.6
269.08060	4.2
269.17480	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.02389	0.7
53.03960	4.6
55.01893	3.7
55.02114	0.8
55.05514	21.4
57.03441	41.2
57.07079	3.0
58.10081	0.7
65.03954	3.0
67.05508	76.1
68.78374	0.8
69.07072	28.3
70.77383	1.7
70.77734	1.0
71.05000	6.6
71.08640	1.0
77.03915	1.4
79.05499	49.5
81.03428	3.5
81.07061	100.0
83.04984	17.4
83.08620	16.5
85.06554	6.3
87.31629	0.9
91.05486	27.4
93.07049	74.7
95.04967	6.8
95.08612	30.7
95.09229	0.9
97.06541	16.8
97.10184	2.0
99.04420	0.8
99.08076	5.2
105.04512	1.7
105.07033	9.7
107.04982	1.7
107.08602	33.9
109.06525	3.4
109.10136	4.4
111.08099	7.7
111.11700	1.1
113.06009	1.2
117.07022	10.9
119.08629	4.0
121.06509	1.2
121.10141	19.8
123.11729	2.7
131.08568	12.9
133.10123	11.0
135.08081	3.0
135.11682	10.7
139.07623	1.1
139.11185	2.4
147.11687	1.4
149.09564	1.4
149.13266	43.7
151.11183	1.0
159.11702	20.4
163.56003	0.9
167.14297	1.5
177.12743	10.2
195.13814	16.1
254.00769	0.7
269.08054	1.7
269.17480	91.3
269.26669	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
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
53.03941	4.0
55.01865	4.8
55.05516	14.1
57.03440	31.1
57.07073	2.3
65.03922	2.0
67.05509	74.3
69.07075	25.9
70.02979	3.7
70.03382	4.3
71.04996	7.3
79.05499	41.7
79.38805	1.4
80.12940	1.4
81.07063	100.0
83.04990	10.4
83.08617	21.5
85.06538	4.8
91.04964	2.3
91.05487	23.2
93.07049	69.0
93.07640	3.4
95.04970	6.6
95.08619	26.0
96.40941	1.5
97.06550	15.8
99.08087	4.4
105.07027	11.7
107.08602	37.5
109.06523	2.9
109.10172	4.9
111.08075	6.9
113.05991	2.2
117.07022	10.3
117.41722	1.3
119.08572	3.7
121.06493	2.0
121.10152	19.5
123.11707	4.6
129.06978	1.5
131.08585	14.3
131.57335	1.6
133.10112	15.2
135.08072	2.3
135.11714	10.5
139.11212	1.9
147.11752	2.0
149.13257	42.0
159.11713	31.6
161.13318	1.7
177.12759	20.3
179.14337	3.0
195.13797	18.8
209.98416	1.7
213.14746	2.2
253.05075	3.3
269.08081	12.3
269.17493	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	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.42227	1.2
53.03939	3.9
55.01854	4.0
55.05515	22.1
57.03441	32.0
57.07075	3.4
65.03962	1.6
67.05511	75.9
69.03416	1.6
69.06726	1.9
69.07076	27.9
70.57744	3.1
71.04986	5.2
79.05499	46.2
81.03426	2.6
81.07065	100.0
83.04990	10.0
83.08628	20.2
85.06536	5.6
91.05489	24.1
93.07053	71.4
93.07561	1.0
95.04961	5.7
95.08617	27.5
97.06543	16.0
97.10168	2.3
98.70809	1.2
99.08084	3.7
105.04527	1.8
105.07046	10.5
107.08606	36.7
109.06528	2.5
109.10178	3.9
110.43907	1.2
111.08091	8.4
117.07024	13.0
119.08601	3.4
121.06527	1.9
121.10165	20.1
121.10989	1.2
123.11735	2.5
131.08591	13.2
133.10152	14.9
135.08044	2.7
135.11699	14.7
139.11235	1.7
147.11662	1.9
149.09555	1.4
149.13275	46.2
159.11714	29.3
161.13315	2.5
167.14322	2.0
177.12773	13.1
195.13806	17.6
213.14799	2.2
254.05896	1.6
269.08087	8.1
269.17493	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03933	3.2
55.01872	3.0
55.05513	20.4
57.03441	32.5
57.07068	3.9
65.03925	2.6
67.05509	79.0
69.03437	1.2
69.07070	27.6
69.77240	4.4
71.01314	1.1
71.05003	6.9
73.02916	1.0
77.08408	1.0
79.05497	44.5
79.50090	1.0
81.03402	1.8
81.07061	100.0
82.94418	1.0
83.04987	11.1
83.08153	1.2
83.08627	19.9
85.06544	5.1
89.99297	1.0
91.05481	23.2
93.07050	77.9
95.04983	6.7
95.08613	26.9
97.06543	14.6
97.10150	3.1
99.08076	5.1
105.04498	1.6
105.07032	9.5
107.04948	1.1
107.08599	35.6
109.06532	4.8
109.10149	3.5
111.08096	9.3
113.06039	1.1
117.07021	13.2
119.08569	2.7
121.06496	1.6
121.09342	1.3
121.10156	20.7
123.11702	2.7
127.07531	1.1
129.07028	1.7
131.08574	11.1
133.10150	12.4
135.08020	1.8
135.11702	12.1
136.60487	1.0
139.11171	3.5
147.11684	2.3
149.13272	51.6
151.11192	2.5
159.10452	1.7
159.11708	26.8
161.13290	1.9
167.14354	3.0
177.12733	15.8
179.14221	1.5
186.73853	1.0
195.13831	19.9
197.05986	1.2
213.09093	2.1
213.14891	1.5
226.06252	4.2
241.08659	1.2
251.16475	1.4
253.04951	2.4
254.05736	4.2
269.08105	34.7
269.17487	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
55.01869	1.8
55.05513	16.3
57.03444	26.4
57.07060	3.4
59.48653	1.1
65.03939	1.8
67.05510	60.5
69.03424	1.4
69.07075	22.6
69.35807	2.1
69.36214	7.1
70.05492	1.3
71.04988	4.5
73.02908	1.1
79.05497	36.1
81.03407	1.2
81.07063	80.5
83.04989	7.9
83.08626	15.9
85.06552	2.9
88.19217	1.2
91.05486	23.0
93.07053	58.2
95.04982	5.6
95.08057	1.7
95.08619	19.3
96.01371	1.1
97.06534	12.7
97.10141	1.9
99.08115	2.6
103.05459	1.1
105.07041	8.6
107.05000	2.4
107.08601	26.1
109.06532	2.3
109.10161	3.1
111.08095	7.8
113.09681	1.2
117.07030	10.4
118.04148	2.7
119.08570	2.9
121.10140	14.8
123.11731	2.7
125.09673	1.2
131.08588	13.6
133.10136	12.6
134.47580	1.1
135.08054	1.5
135.11697	11.1
137.02393	1.0
139.07437	1.2
147.11708	1.4
149.09705	1.2
149.13269	41.4
151.11270	1.7
159.11703	25.4
161.13203	1.6
165.08987	1.1
177.12747	12.3
179.14380	2.2
181.06477	2.4
182.07333	1.2
185.09761	1.4
195.13809	14.9
197.05971	4.3
198.06715	3.3
213.09123	8.9
213.14864	1.4
225.05525	1.5
226.06319	8.4
237.05521	3.4
253.04921	8.3
254.05719	9.9
269.08102	100.0
269.17484	71.9
281.24484	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42401	1.8
53.03950	3.3
55.01864	5.4
55.05268	1.9
55.05515	21.1
57.03440	38.2
57.07063	6.4
61.70872	2.1
63.57418	1.8
64.58315	1.8
65.03939	2.0
67.05508	85.9
69.03421	2.0
69.06730	2.4
69.07074	36.1
69.39362	8.6
69.39762	4.4
70.95862	2.0
71.04639	1.8
71.04992	7.3
72.93780	2.2
79.05499	49.1
81.07060	100.0
83.04980	12.6
83.08619	21.8
85.02930	2.2
85.06531	7.9
90.94882	2.2
91.05490	27.8
93.07048	86.1
95.04962	5.3
95.08615	32.9
97.06532	18.4
97.10165	2.2
99.08099	4.1
105.07051	10.1
107.08598	37.4
109.06539	2.0
109.10146	6.2
111.08109	9.6
111.11712	1.9
117.07034	12.0
119.08539	4.2
121.10151	23.2
123.11716	4.8
125.09624	2.0
131.08577	15.2
133.10156	15.2
135.08038	3.0
135.11690	14.0
139.11212	2.5
147.11673	2.9
149.13266	62.1
151.09816	1.7
151.11160	2.9
159.11702	29.1
165.12820	2.1
167.14413	2.1
167.53036	1.6
172.53986	1.8
177.12755	15.3
195.13811	22.7
221.04160	2.1
226.06320	4.4
251.07329	6.9
253.04897	2.8
254.05722	4.4
269.08154	34.5
269.17487	84.9
269.22147	4.0
276.42432	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	269.1748
Annotation	Trichotriol
Peak:m/z	Relative Intensity
51.02360	1.0
53.03931	3.7
55.01864	2.8
55.05267	1.3
55.05515	20.9
57.03438	28.2
57.07065	3.4
59.06261	1.0
65.03920	2.0
67.05508	79.2
69.07070	29.0
70.27750	0.9
70.79096	2.8
71.05004	5.7
71.08625	1.7
73.91473	0.9
77.07945	0.9
79.05497	42.4
80.70860	1.0
81.03423	2.5
81.07061	100.0
83.04986	11.7
83.08626	20.3
85.06552	4.6
91.05488	26.4
93.07050	74.6
95.04955	5.9
95.08617	27.6
97.06532	15.7
97.10170	2.2
99.04446	1.1
99.08089	6.0
105.07024	10.7
107.08598	34.3
109.06512	2.7
109.10157	5.4
111.08088	8.3
113.09610	1.2
117.07024	11.2
118.07716	1.0
119.08556	3.3
120.12691	1.0
121.06543	1.8
121.10147	18.2
123.11691	4.1
131.08578	11.8
133.10127	14.1
135.08035	3.1
135.11682	13.1
139.11176	2.0
141.22522	0.9
147.11743	1.4
149.09622	1.2
149.13271	47.8
151.11169	2.6
159.11685	25.5
161.13261	3.2
167.14366	1.3
177.12752	19.6
179.14325	2.4
195.13831	20.1
212.39859	1.0
213.14859	1.4
269.08185	9.9
269.17484	86.7
290.89700	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
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
53.03931	1.9
55.01870	3.2
55.05516	22.2
57.03439	31.2
57.07076	3.6
65.03933	2.2
67.05508	71.7
69.07072	26.7
70.25402	4.9
71.04987	5.1
79.05498	44.0
79.05965	1.7
81.03378	1.7
81.07061	100.0
83.04990	9.0
83.08624	18.1
85.06526	4.3
91.05489	22.5
92.94548	1.4
93.07048	71.1
95.04963	6.1
95.08613	27.8
97.06548	15.3
97.10162	2.3
99.08080	4.0
104.94611	1.5
105.07037	8.8
107.05008	1.4
107.08598	35.4
109.06522	3.4
109.10154	5.1
111.08092	10.4
117.07026	10.9
119.08595	2.3
121.10143	22.5
123.11719	2.1
125.35306	1.2
131.08589	13.9
133.10130	11.8
135.08040	2.3
135.11697	10.9
139.11198	1.8
149.09808	1.4
149.13260	46.6
151.11201	1.7
153.09309	1.2
159.11703	30.4
167.14363	2.3
177.12769	15.9
179.14346	1.7
195.13826	16.1
213.14912	2.1
253.05008	3.0
269.08102	8.8
269.17477	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	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.89662	1.2
53.03932	3.2
55.01870	3.3
55.05513	17.2
56.05698	1.0
57.03442	28.8
57.07058	5.4
57.44907	1.1
65.03932	3.0
67.05508	76.4
69.07072	32.5
70.97832	2.9
71.04996	9.8
71.08620	1.4
76.24855	1.3
79.05503	43.4
81.03417	1.7
81.07061	100.0
83.04987	8.3
83.08154	1.5
83.08624	19.3
85.06541	7.2
91.05485	25.2
93.07049	72.8
95.04988	6.2
95.08608	28.7
97.06542	17.2
97.10181	2.5
99.08096	7.4
105.04530	1.5
105.07037	12.2
107.08601	33.2
109.06503	4.8
109.10140	6.1
111.08089	9.4
117.06997	11.2
119.08572	4.3
121.06502	1.5
121.10151	21.5
123.11672	3.7
131.08598	12.9
133.10132	13.3
135.08041	1.6
135.11681	13.6
139.11151	2.7
147.11636	1.7
147.40230	1.4
149.13268	53.1
159.11700	28.2
161.13229	4.2
167.14360	2.1
171.11676	1.7
177.12756	16.6
179.14258	2.0
184.09935	3.1
195.13824	17.7
213.14893	2.3
253.04922	1.7
269.08127	16.2
269.17459	92.3
273.66177	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	269.102
Annotation	Botryolide C
Peak:m/z	Relative Intensity
53.03943	2.4
55.01876	7.9
55.05509	5.0
57.03440	13.6
57.07081	1.8
65.03947	2.8
66.78800	1.7
67.05499	7.3
69.03433	5.1
69.07056	3.4
69.59175	4.2
69.59610	5.7
70.06584	4.5
71.04978	3.1
72.08140	1.6
72.27002	1.7
73.02917	2.3
79.05487	19.8
81.03411	4.1
81.07064	22.3
82.07399	2.2
83.01377	1.9
83.04989	5.5
84.08126	3.8
85.02906	3.3
85.06548	2.6
86.09712	3.0
87.04507	1.9
91.05480	30.1
93.03409	3.2
93.07057	12.9
95.01328	5.3
95.04980	7.5
95.08616	4.5
97.02872	2.2
97.06534	4.3
98.20775	2.5
99.04462	2.5
101.04028	1.7
103.05479	6.2
105.07038	17.0
107.04953	11.7
107.08588	7.0
109.02873	3.7
109.06507	21.8
110.03524	4.9
110.07217	1.6
111.08080	2.9
115.03924	2.5
115.05424	8.3
117.03371	1.8
117.07024	23.4
119.04963	9.4
119.06035	1.6
119.07319	3.8
119.08588	7.0
121.02856	3.5
121.06535	10.3
121.10099	3.1
123.00786	9.3
123.04449	3.8
123.08050	3.4
125.09653	2.6
127.03882	1.7
127.07577	2.2
128.06265	2.2
129.06996	4.4
131.04936	7.5
131.08597	2.5
132.05745	1.6
133.06493	7.5
133.10150	3.0
134.06067	2.5
135.03041	6.8
135.04424	17.9
135.08054	10.0
136.03368	4.7
137.02373	1.7
137.05966	17.3
141.01778	3.0
145.02850	5.6
145.06480	27.0
145.10165	1.9
147.04451	4.9
147.08046	7.1
149.06023	11.7
149.09599	1.7
151.03903	3.3
151.07552	3.7
152.05682	100.0
153.04042	3.7
153.05998	71.1
154.04399	4.4
157.06514	1.4
159.04425	1.9
159.11742	1.9
160.05165	2.3
161.05998	3.0
161.09662	4.0
163.03943	6.7
163.07539	31.9
165.05484	19.0
167.07068	2.8
173.06003	22.5
173.07373	2.6
174.06837	3.8
175.03943	2.4
175.07542	5.9
177.05487	32.8
179.07045	3.7
181.05014	1.9
182.96153	1.5
183.06577	4.2
189.05678	1.9
191.07036	69.9
193.08728	1.8
195.06549	4.5
196.96017	1.8
201.05481	17.5
204.29033	1.4
205.08595	7.6
209.08081	20.7
219.06544	47.5
223.09605	8.3
225.16927	1.8
233.08118	4.6
233.11713	3.5
237.07571	32.0
244.36668	1.8
251.09166	94.7
251.13260	6.8
255.08652	16.2
269.08246	1.5
269.10379	14.2
269.14407	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	269.0809
Annotation	7-HYDROXY-2'-METHOXYISOFLAVONE
Peak:m/z	Relative Intensity
55.01842	0.2
55.05484	0.7
57.03423	0.8
67.05511	1.5
69.07059	0.5
69.71427	1.3
71.79611	0.2
72.91774	0.2
78.06104	0.3
79.05470	1.0
81.07068	2.4
83.08605	0.6
83.70011	0.3
88.08802	0.2
90.04688	0.3
91.05491	0.3
93.07060	1.6
93.07531	0.3
95.08615	0.4
95.56870	0.3
97.06526	0.3
98.21452	0.4
105.07022	0.5
107.04967	1.9
107.08570	0.6
108.02132	0.4
113.56078	0.2
118.04173	4.2
121.10146	0.4
133.06499	0.4
133.10016	0.4
136.01530	0.9
137.02347	1.8
149.13278	1.3
152.06232	0.3
153.07039	0.3
154.02612	1.2
156.05638	0.6
159.11752	0.5
163.03900	0.5
170.07304	0.8
181.06519	1.3
182.07242	0.7
195.13857	0.5
197.05980	3.4
198.06786	2.0
209.05844	0.3
213.09129	7.4
225.05466	1.6
226.06253	5.4
237.05487	6.6
237.85632	0.3
241.08604	0.6
253.04993	6.7
254.05753	7.6
257.08377	0.3
269.08096	100.0
269.17389	2.0
270.08386	0.4
271.87781	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0809
Annotation	5-Hydroxy-3'-methoxyflavone
Peak:m/z	Relative Intensity
55.05507	0.3
56.96561	0.4
57.03416	0.9
57.07066	0.2
58.18908	0.2
64.35126	0.2
67.05511	2.6
67.19524	0.3
68.99802	0.3
69.07059	1.1
69.96482	1.2
73.25874	0.2
75.59448	0.2
79.05492	1.1
81.03385	0.2
81.07057	3.0
83.04955	0.3
83.08612	0.5
89.94519	0.3
91.05463	1.0
93.07047	2.4
95.08598	1.0
97.06522	0.5
105.07018	0.5
107.08595	1.1
111.08041	0.3
121.10120	0.5
133.06516	1.7
133.10083	0.4
135.11717	0.5
137.02322	1.8
147.11670	0.7
149.13283	1.6
159.04408	1.1
159.11719	0.5
177.12787	0.4
207.09148	0.3
226.06256	27.0
227.06934	0.4
229.14285	0.5
241.08760	0.3
241.11118	0.7
253.05040	1.0
254.05757	15.5
259.12161	0.4
269.08102	100.0
269.17465	2.0
285.10074	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
55.05511	1.2
56.05045	0.8
57.98403	0.4
58.89847	0.3
61.17394	0.3
61.61666	0.4
69.07069	0.8
69.84667	2.0
72.04535	1.9
73.02925	1.3
74.06063	0.5
79.05486	1.1
81.03396	0.8
81.07059	1.8
83.08595	0.5
83.38074	0.4
91.05485	0.6
93.07045	2.3
94.06577	1.5
95.07332	0.4
95.08619	1.3
96.08170	0.4
100.03944	0.5
102.05549	0.6
105.07030	0.8
107.08598	1.9
108.08122	8.5
108.38384	0.3
109.08891	1.0
109.10139	0.5
110.09695	1.0
111.08083	0.5
122.09670	7.6
123.10452	1.3
124.11212	1.1
128.07091	0.5
133.10167	0.5
135.11684	1.9
136.11226	3.7
142.08603	0.5
150.12791	16.1
151.13573	8.2
152.07039	2.2
152.14348	0.4
153.12756	0.4
153.15198	0.5
156.10132	0.6
166.08614	0.5
167.09436	0.6
168.10341	0.4
170.08112	1.1
170.11746	0.7
178.15903	3.7
180.10242	1.0
182.11763	0.4
194.11813	2.7
195.12596	0.8
196.13290	0.5
221.71555	0.4
222.14838	1.9
224.16463	100.0
225.16719	0.5
226.18028	3.5
268.19080	71.0
269.19586	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
53.79213	0.3
55.01876	0.9
55.02162	0.3
55.05515	1.0
57.03439	0.3
69.03419	0.4
69.07072	0.9
70.06593	0.7
71.53032	0.3
72.04514	1.8
72.08168	0.4
73.02924	0.9
73.46485	0.3
79.05480	1.4
81.03432	0.3
81.07057	1.3
82.06576	0.4
83.08619	0.5
83.59217	0.3
87.04469	0.4
91.05469	0.9
93.07047	2.5
94.06590	1.3
95.04968	0.4
95.07373	0.4
95.08607	1.3
96.08128	0.4
100.04002	0.6
102.05524	0.9
107.04949	0.4
107.08598	1.5
108.08123	8.8
109.08900	0.7
109.10150	0.5
109.77304	0.3
110.09684	1.0
119.08617	0.6
122.09682	6.8
123.10434	1.5
124.11238	1.2
133.10158	0.3
135.04424	11.2
135.11676	2.6
136.06174	0.8
136.11206	3.4
142.08598	0.5
150.12788	13.7
151.13579	7.8
152.05801	0.6
152.07066	1.4
152.14323	0.9
153.15042	0.6
156.10214	0.5
164.14371	0.9
166.08624	0.4
168.10242	0.5
170.11783	1.2
178.15921	3.0
180.10201	1.4
182.11761	1.0
194.11746	2.7
195.12564	1.0
196.17001	0.3
222.14896	1.3
224.16464	100.0
225.16762	0.6
226.18044	4.2
227.00110	0.4
245.01042	0.7
268.19080	63.4
269.19476	0.5
271.07825	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.01876	1.0
55.05506	1.2
56.05019	0.7
69.07062	1.0
69.38824	0.3
70.06602	0.6
70.11662	1.2
71.04985	0.7
72.04519	1.6
72.08154	0.4
72.93804	0.3
73.02914	1.4
74.06082	0.5
79.05485	1.7
80.05054	0.4
81.03403	0.4
81.07053	1.6
82.06567	0.6
83.05000	0.4
83.08625	0.5
84.08190	0.3
87.04495	0.6
91.05486	0.7
93.07056	3.0
94.06585	1.2
95.04992	0.5
95.08611	1.3
96.08140	0.4
98.20873	0.4
100.04002	0.8
102.05546	0.7
105.07038	0.6
106.06599	0.4
107.08608	1.7
108.08128	9.1
109.08915	1.0
109.10108	0.7
109.34226	0.3
110.09671	1.1
116.89138	0.3
117.11234	0.3
119.08569	0.5
121.10236	0.4
122.09679	7.4
122.10539	0.2
123.10452	1.1
123.11760	0.4
124.03984	0.6
124.11237	1.1
128.07109	0.5
133.10135	0.4
135.04424	16.1
135.10741	0.4
135.11691	2.4
136.06195	0.5
136.11229	3.5
137.13271	0.6
140.07034	0.3
150.12784	14.8
151.13571	7.6
151.14796	0.4
152.05766	0.6
152.07098	1.3
152.14391	0.3
153.15137	0.4
156.10268	0.6
164.14372	1.2
166.08640	0.6
167.09421	0.5
168.10219	0.7
170.11749	1.2
178.15895	3.1
180.10196	1.4
182.11765	1.1
193.12617	0.3
194.11778	3.8
195.12587	1.1
196.13417	0.4
196.16968	0.3
222.14928	2.6
224.16460	100.0
225.16808	0.7
226.18037	4.3
227.00049	0.7
245.01044	1.6
268.19077	68.0
269.19479	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1043
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01877	0.3
55.86558	0.1
57.03436	0.5
69.03406	0.2
70.66292	0.3
73.02942	0.2
85.02917	0.4
88.04030	0.1
94.04065	0.5
97.02884	0.2
115.03912	0.2
119.03566	0.7
136.06197	100.0
151.05780	0.3
251.80049	0.2
268.10419	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	267.1955
Annotation	Juvenile hormone III
Peak:m/z	Relative Intensity
50.14974	1.0
53.03946	1.5
54.16842	1.2
55.01875	1.4
55.05510	4.1
57.03449	1.9
57.07085	1.5
57.50890	1.0
65.03935	1.1
66.60609	0.9
67.05507	20.9
69.03436	100.0
69.07079	6.6
71.04996	2.1
71.08643	1.2
71.53531	1.8
79.05508	13.3
81.03436	9.1
81.07059	24.6
83.04986	2.8
83.08625	3.9
85.06539	2.8
91.05489	18.0
93.07054	16.8
95.04972	6.3
95.08614	16.6
97.06540	14.4
97.10181	2.0
98.98473	13.6
105.07038	12.1
107.08606	11.0
109.06522	6.1
109.10165	9.4
111.08085	4.1
117.07018	3.5
119.08598	9.7
121.06522	1.5
121.10145	10.5
123.08084	6.2
123.11721	3.2
123.86440	1.0
125.05963	1.4
127.11226	0.9
129.06976	2.0
131.08589	7.5
133.10144	21.9
135.08081	1.9
135.11708	2.2
137.09651	2.9
143.08556	1.4
145.10129	1.8
147.11729	7.2
149.09633	4.2
149.13278	2.5
151.11226	6.1
157.10110	4.2
161.13223	1.3
171.11774	2.2
171.82884	1.0
173.13206	1.1
175.11218	3.3
175.14822	2.1
179.14336	1.1
189.16409	6.0
190.96690	1.2
193.12285	3.2
199.14786	5.8
207.17474	4.0
217.15981	7.6
235.16945	40.4
252.04143	2.3
253.17953	1.2
267.06503	6.0
267.15945	8.3
267.19635	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	267.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01869	2.5
55.05511	7.5
57.03428	3.7
57.07069	1.8
58.07436	1.0
59.05001	1.1
67.05511	17.3
68.57608	1.0
68.71944	1.0
69.03435	100.0
69.07073	6.3
70.49736	2.2
70.50071	1.7
71.04991	2.9
77.50786	0.9
79.05496	10.5
81.03419	12.3
81.07058	27.6
83.04990	2.8
83.08615	5.9
85.06541	2.7
89.06068	1.2
91.05488	16.6
93.07053	13.0
95.04959	4.3
95.08614	13.5
97.06535	10.8
98.98473	68.5
105.07042	10.4
106.05154	1.1
107.08595	9.2
109.06509	6.5
109.10172	10.7
111.04431	1.8
111.08080	2.8
117.06955	1.1
118.09544	1.0
119.08582	7.5
121.06496	2.2
121.10166	9.1
123.08107	5.6
123.11715	2.9
129.07031	2.8
131.08514	2.7
133.08618	1.2
133.10139	22.9
135.11658	2.9
137.09607	3.4
140.32872	1.1
143.08565	1.4
147.08052	1.8
147.11710	8.7
149.09608	2.8
149.13249	2.4
151.11191	6.9
155.04671	4.7
157.10126	3.5
159.11617	1.7
161.06067	1.3
165.12772	2.5
173.13326	1.5
175.11205	2.9
175.14832	1.4
182.66388	1.0
189.16389	5.8
193.12260	3.2
199.14835	3.0
207.17455	4.2
209.13354	1.2
211.10970	2.1
217.15910	5.4
235.16937	41.3
235.19344	2.2
267.06436	1.8
267.15927	14.0
267.19290	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	267.1593
Annotation	Rugosal A
Peak:m/z	Relative Intensity
53.03934	1.5
53.34004	0.5
54.91719	0.6
55.01863	1.4
55.05515	8.3
57.03439	6.2
59.04984	0.9
65.03928	0.7
67.05510	23.7
67.29994	0.7
69.03421	1.4
69.07072	11.0
70.68873	1.3
70.69244	1.1
71.04991	1.4
71.08676	0.5
77.03979	0.6
79.05074	0.9
79.05499	14.6
81.03426	11.8
81.07063	57.3
83.04993	6.6
83.08617	5.8
85.02899	0.7
85.06550	4.1
89.55607	0.6
91.05487	17.8
93.07054	8.3
95.04988	4.9
95.08615	17.0
97.06534	4.5
99.04420	0.8
99.08080	1.8
101.06007	1.1
103.05434	0.6
105.07039	22.7
107.04941	1.8
107.08595	6.9
109.06524	4.7
109.10133	2.2
111.04420	1.0
111.08079	2.3
113.05991	1.0
113.33167	0.6
115.05441	0.9
119.08590	18.3
121.10152	12.0
123.08080	2.2
123.10825	0.9
123.11714	14.6
125.05997	0.7
125.09573	0.7
127.07558	2.0
129.06996	2.4
131.08612	2.8
133.06519	0.7
133.10114	4.1
137.13234	1.2
147.11696	37.4
148.81285	0.5
149.09544	0.7
155.03419	0.7
157.10115	2.6
165.12761	15.0
169.04948	1.4
170.05736	1.8
175.11224	2.9
182.02031	1.3
183.06549	2.9
183.13824	1.1
193.12213	4.8
197.04440	6.8
202.24217	0.6
211.13257	1.0
219.06383	0.8
224.04585	1.0
229.14302	1.2
234.08900	1.1
249.11247	0.9
252.04236	0.9
267.06564	3.9
267.15927	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1593
Annotation	Rugosal A
Peak:m/z	Relative Intensity
53.03950	1.5
55.01888	1.1
55.05515	8.2
56.05341	0.3
57.03442	4.8
57.07081	0.4
65.03944	1.2
67.05509	28.3
69.03419	0.4
69.07073	11.6
69.87054	0.9
69.87460	0.7
71.04998	3.1
73.06559	0.6
73.18082	0.3
78.91119	0.4
79.05499	17.3
81.03435	2.6
81.07063	74.2
83.04985	5.9
83.08632	5.7
85.06553	3.1
87.04468	0.4
91.05486	20.0
93.07047	9.7
95.04977	2.5
95.08614	20.1
97.06544	5.2
97.10179	0.5
99.04449	0.4
99.08086	2.7
101.06027	1.1
104.51125	0.4
104.60679	0.4
105.07039	27.4
107.04993	0.6
107.08603	8.7
109.06543	3.7
109.10165	1.5
111.08143	0.9
113.06020	0.9
115.05446	0.4
117.07031	0.6
119.08590	18.8
121.10147	13.3
123.08060	3.5
123.11720	16.5
125.09637	0.8
127.07578	1.8
129.07024	1.3
131.08583	1.4
133.10155	3.1
135.08107	0.5
135.11676	0.4
137.09595	0.6
137.13292	1.4
141.09122	0.4
145.10132	0.8
147.11697	42.0
149.09714	0.4
157.10173	1.7
165.12767	18.0
175.11201	1.7
183.13794	1.7
193.12286	1.3
229.14397	0.7
267.15930	100.0
268.16306	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03936	2.2
55.01883	1.5
55.05511	7.8
57.03161	1.0
57.03439	12.4
65.03922	1.1
67.05508	21.5
69.03410	1.7
69.07067	7.9
69.29085	0.6
69.83658	1.7
69.84052	1.3
70.09666	0.6
71.04981	2.1
79.05499	15.0
81.02930	1.5
81.03421	45.4
81.07059	47.0
83.04988	5.7
83.08620	10.1
85.06541	2.8
90.20134	0.8
91.05484	19.3
91.92649	0.7
93.07052	9.9
95.04964	11.3
95.08609	14.7
97.02888	1.4
97.06516	2.5
99.08085	2.1
101.05991	1.1
105.07030	22.0
107.04968	3.4
107.08590	5.5
109.06551	3.7
109.10168	0.8
111.04444	0.9
111.08067	3.4
119.08586	16.1
121.06499	1.5
121.10144	9.2
123.08069	2.8
123.11716	10.3
127.07518	1.0
129.07016	4.5
131.08595	4.5
133.10149	4.7
137.09596	0.8
137.13245	1.3
142.07765	1.1
145.10144	1.8
147.08107	1.3
147.11690	30.2
149.09612	2.4
157.10132	6.0
165.12761	11.5
175.11186	5.1
183.13765	1.3
185.11775	0.7
193.12231	11.4
211.13278	2.1
246.07681	0.8
249.14905	1.4
267.15921	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
51.75811	0.6
53.03951	3.9
55.01878	2.1
55.05514	8.5
57.03441	21.8
58.16306	0.7
60.24743	0.6
62.11026	0.6
65.03951	1.1
67.05511	13.6
69.03430	3.2
69.07086	3.7
70.97553	1.6
71.04997	2.1
72.08171	1.0
72.22678	0.6
79.05498	12.4
81.03423	100.0
81.07063	16.0
83.04991	5.9
83.08624	15.0
83.88699	0.6
85.06570	1.9
91.05486	23.4
93.07056	12.4
95.04977	23.3
95.08611	6.8
95.83733	0.6
97.02898	2.0
97.06538	2.5
97.10154	2.1
99.08117	1.0
103.05451	1.0
105.07043	17.1
107.04964	5.4
107.08617	5.4
108.67191	0.7
109.06516	4.5
109.10149	3.6
111.04465	1.8
111.08081	7.1
115.05484	2.6
117.07020	3.6
119.04944	0.9
119.08589	14.9
121.06498	3.0
121.10162	6.1
123.08082	2.2
123.11728	1.8
125.09621	1.5
127.07664	0.6
128.06233	1.9
129.07016	12.4
130.07877	0.7
131.04956	0.8
131.08569	14.1
132.05797	0.8
133.06511	4.4
133.10159	5.4
135.11670	1.9
137.09564	1.5
141.07025	2.6
142.07802	3.6
143.08621	1.3
144.05739	3.1
145.06573	1.2
145.10112	1.5
147.04437	0.8
147.08055	2.9
147.11691	9.5
149.09628	4.8
155.06087	0.9
157.06525	3.1
157.10143	9.3
159.08081	9.7
159.11812	0.8
161.05988	1.5
161.09604	2.5
163.11229	1.1
165.12735	3.0
169.07605	1.9
170.07300	2.4
171.08063	2.0
171.11694	1.4
173.05963	1.2
175.07635	1.2
175.11197	10.3
177.12741	0.7
185.13191	0.8
187.07568	5.9
189.05441	0.8
189.09074	3.3
193.12265	24.2
198.06979	0.8
199.07607	1.1
203.07164	1.2
204.07838	4.0
205.08611	1.0
207.10110	1.1
207.13763	0.8
211.13300	3.6
216.07790	1.1
219.10222	2.8
221.11752	1.2
228.13879	0.8
231.10191	1.9
231.13895	0.8
237.11221	1.3
237.14645	0.9
246.14818	0.9
246.64755	0.7
249.11240	44.1
249.15134	1.8
249.18358	1.4
267.15939	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03945	2.8
53.40884	0.8
55.01867	2.4
55.05515	8.9
57.03194	1.2
57.03445	15.5
57.07080	1.2
63.55142	0.7
65.03930	1.1
67.05505	22.1
69.03413	2.6
69.07068	10.8
69.86654	4.0
71.04984	2.6
72.08144	1.4
79.05495	14.8
81.03423	59.1
81.07064	40.3
83.04989	8.0
83.08617	11.5
85.02894	1.9
85.06535	2.4
91.05488	21.8
93.07051	11.0
95.04983	14.0
95.08608	12.6
97.06535	5.2
97.10149	1.6
98.20777	1.1
99.04472	0.8
99.08093	1.6
105.06393	1.5
105.07042	20.1
107.04964	4.3
107.08610	6.5
109.06538	4.5
109.10134	2.5
111.04451	1.8
111.08083	5.4
117.07030	1.5
119.08593	17.9
121.06494	2.4
121.10147	10.5
123.08040	3.8
123.11707	8.5
125.09583	0.9
126.98540	0.9
128.06232	1.0
129.07040	6.2
131.08577	5.2
133.06500	1.5
133.10139	6.8
135.07990	0.8
137.09596	1.1
142.07758	1.8
147.08058	2.0
147.11694	27.7
149.09627	2.5
157.10124	6.7
159.11627	0.9
165.12746	9.7
175.11209	7.2
183.06535	2.3
189.08965	1.1
193.12270	13.9
211.13290	1.9
249.14890	2.4
249.18683	1.0
263.81506	0.8
267.15921	100.0
285.10104	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03947	3.4
55.01872	1.8
55.05513	5.9
57.03442	19.0
57.07074	1.1
59.04974	0.8
63.45067	0.7
67.05510	12.8
69.03434	2.6
69.07063	2.6
71.04990	1.2
79.05495	12.2
81.03423	100.0
81.07060	16.7
83.04994	4.9
83.08625	13.8
85.02926	0.7
91.05484	17.6
91.06021	1.3
93.07069	6.1
95.04370	1.3
95.04980	21.7
95.08612	6.2
97.02916	2.9
97.06570	1.1
97.10196	2.0
98.98479	2.2
105.06386	1.4
105.07041	14.6
107.04957	4.5
107.08578	4.0
109.06513	3.1
109.10164	2.3
111.04453	1.4
111.08085	5.8
115.05458	0.8
115.15992	0.7
117.07015	1.4
117.73514	0.7
119.05036	1.1
119.08587	9.5
121.06524	2.2
121.10158	4.7
123.08073	2.0
123.11720	1.9
123.12579	0.8
129.07018	7.0
131.08577	9.1
133.06519	2.4
133.10133	4.2
137.09625	1.4
142.07793	1.9
146.48557	0.7
147.08038	2.6
147.11708	8.5
149.09619	4.3
157.10139	8.9
165.12790	3.0
175.11179	10.1
193.12245	21.1
211.13361	2.8
249.14897	1.8
267.15933	73.9
271.10941	0.7
279.30408	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01862	3.0
55.05501	2.1
56.96563	1.8
57.03445	5.4
57.07079	1.4
61.02930	7.9
67.05522	2.5
69.03436	17.5
69.07070	33.0
70.06599	2.0
70.48515	2.2
70.48840	1.4
71.04974	2.3
73.02910	5.2
74.06071	4.2
81.03411	7.8
81.07057	2.8
84.04503	6.0
84.08132	1.7
85.02906	100.0
85.06526	1.6
87.04467	1.7
87.08109	33.8
91.03960	3.4
91.05472	2.3
93.07072	1.4
95.04955	1.2
95.08606	3.1
97.02890	21.2
98.21416	1.2
98.97576	6.2
99.04465	5.6
99.31168	1.0
103.03937	1.3
103.05491	1.1
105.03391	1.8
107.04951	5.4
107.08590	1.2
109.02878	10.9
114.78174	1.2
116.98633	2.7
120.04475	14.2
120.08104	3.0
121.06517	8.9
123.04453	1.7
127.03917	21.1
130.05000	2.4
136.06171	1.8
136.07613	1.4
138.09151	2.3
139.03844	0.9
145.04962	21.1
147.04407	1.5
147.08075	1.0
148.04808	1.0
150.05490	9.1
150.99120	1.7
152.05679	3.7
153.04118	1.8
153.06003	3.3
158.99634	1.5
162.07462	1.1
163.05974	3.5
166.08681	1.8
193.00150	1.6
203.11853	1.3
221.12823	1.4
249.12262	1.6
250.10797	1.4
267.00330	3.5
267.04248	2.6
267.13144	6.2
285.01379	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	267.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99019	0.6
53.03938	1.4
55.01870	1.3
55.05505	1.4
57.03436	4.5
65.66414	0.6
67.05498	2.4
69.03426	1.6
69.07073	2.2
70.06593	0.7
71.05000	1.4
71.53113	0.8
72.04533	1.2
72.08148	1.5
73.02950	0.6
75.04468	0.9
76.36015	0.6
79.05495	6.3
81.02990	0.8
81.03426	11.7
81.07063	4.4
82.06578	0.7
82.07143	0.6
83.05009	0.9
83.08626	2.4
84.04504	0.8
85.02921	1.0
91.05492	4.9
93.07042	3.8
94.06561	0.9
95.04967	4.7
95.08598	1.9
97.06537	2.0
98.97577	0.8
99.04483	0.8
103.05470	4.2
105.03406	1.2
105.07040	20.5
107.04947	1.9
107.08585	2.3
108.08123	10.9
109.06527	1.6
109.10211	0.7
111.04420	1.2
111.08082	1.3
115.05473	4.7
117.03391	0.8
117.07063	1.1
118.04176	4.2
119.08602	2.7
120.08064	1.0
121.06509	1.5
121.08875	1.3
121.10186	0.9
122.09681	1.8
123.04436	0.9
123.08143	0.8
127.11223	0.6
129.07054	1.3
131.04945	4.9
131.08571	2.3
132.05716	6.6
133.06503	18.6
133.10130	2.9
135.04442	6.5
135.11676	1.4
136.06166	0.7
136.11209	1.2
138.05516	1.2
139.05841	1.5
143.06038	1.1
143.08617	0.7
145.06485	0.9
146.03639	28.6
147.04439	1.1
147.08078	1.6
147.11688	3.0
148.05133	1.3
149.05989	1.0
149.09583	1.6
150.05508	1.3
150.12779	4.6
151.05823	1.0
151.07565	1.0
152.05682	6.7
152.14319	1.1
157.10187	1.2
157.84090	0.7
159.08066	1.2
160.05215	4.4
161.05995	33.4
161.09628	1.3
161.56224	0.7
162.93390	0.7
163.03912	5.2
163.07559	2.2
164.14368	3.2
165.07866	2.9
165.09085	0.7
168.06580	3.2
169.06920	3.9
169.08189	0.7
175.11198	1.6
177.05426	0.8
178.06262	100.0
187.07599	1.3
189.09172	1.1
190.06291	5.1
191.07040	10.7
192.07855	4.4
193.08617	42.2
193.12259	2.9
203.10709	1.9
204.07808	1.3
205.08585	0.9
208.13399	4.3
211.09669	1.6
219.10182	1.6
223.18047	2.5
231.10146	1.6
249.11118	3.5
250.14365	1.8
267.09991	0.7
267.14102	1.2
267.17050	12.8
267.20035	1.2
268.13980	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	266.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05002	0.9
60.04529	10.6
63.11903	0.7
65.03941	0.9
69.54826	4.2
70.02961	6.6
88.03999	55.4
91.05489	83.3
98.21540	0.5
102.05551	100.0
130.04971	1.9
146.06033	2.1
148.06062	69.3
178.50156	0.6
187.54698	0.5
206.08093	3.9
219.58815	0.7
220.09692	9.7
234.07608	2.4
248.09126	3.2
266.10233	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	266.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.6
59.05008	0.6
61.02927	1.6
64.55829	0.3
70.97398	0.6
70.97735	0.5
71.05001	2.2
76.69441	0.3
79.05530	0.3
81.07062	3.7
94.04064	1.1
104.11245	0.3
113.09647	0.5
116.44981	0.3
119.03555	2.2
134.04297	0.5
136.06195	100.0
137.04602	0.8
150.07785	0.6
219.07039	0.4
234.11098	0.6
234.13518	20.4
266.16129	61.4
267.16470	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
53.04837	0.2
55.01858	0.2
56.96563	1.3
57.03439	0.4
58.09309	0.2
61.02916	0.4
65.03936	0.4
67.05507	2.1
69.03414	0.8
69.91557	0.9
70.06588	0.5
70.98138	0.2
72.04503	0.2
72.08135	0.5
73.02911	0.8
74.97656	0.2
79.05497	0.3
81.03429	0.5
84.04507	0.4
84.08135	0.6
85.02908	1.7
94.06576	7.6
95.08614	0.2
97.02888	0.6
98.97600	3.0
100.03994	1.0
101.00868	0.2
101.02398	0.4
103.00642	0.2
106.06565	2.6
107.04959	0.4
109.02894	0.5
110.97566	0.3
114.96990	0.3
116.98627	0.8
118.05017	1.3
119.01898	0.4
119.04861	0.2
120.04476	2.7
120.08024	0.3
121.06465	0.3
122.06046	6.3
122.07078	0.4
124.99120	0.4
127.03944	0.4
128.98592	0.4
130.05000	0.2
130.08629	0.3
131.00217	0.2
131.01857	0.2
132.98105	0.5
136.06184	0.3
137.06024	0.2
143.00201	0.4
147.04410	0.5
148.03897	0.3
150.05521	100.0
150.99144	0.4
151.05792	0.3
152.07021	0.3
156.97928	0.2
158.99661	0.5
161.01239	0.2
162.05495	0.3
164.07118	0.4
168.06589	1.3
174.99147	0.3
177.04240	0.5
186.04713	0.5
188.97154	0.5
193.00249	0.4
206.98257	0.2
209.03604	0.2
209.06903	4.8
248.99174	0.4
251.04434	0.3
258.06671	0.2
267.00302	1.2
267.03400	0.3
267.09979	5.6
285.01379	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0362
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78422	1.8
69.78825	1.4
78.73830	0.6
82.99848	1.3
83.24538	0.5
98.21371	0.8
98.97581	1.4
101.00883	7.2
112.04439	0.6
119.01299	0.5
119.01940	6.1
140.98833	2.2
142.03435	0.8
158.99899	5.3
170.48836	0.7
177.00952	15.5
179.49435	1.6
182.99832	1.7
191.00276	2.4
191.50276	0.6
198.94215	0.6
201.00897	6.0
201.02431	0.9
217.04208	2.8
219.02017	20.3
220.02122	1.8
225.01057	1.8
242.95882	0.6
243.01985	14.8
261.03082	100.0
262.03323	0.8
262.91052	0.6
284.04718	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2164
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03926	1.4
55.05512	9.2
57.03438	2.2
57.07069	3.1
59.04984	1.8
60.46842	1.2
65.03937	3.1
67.05507	100.0
69.07067	9.5
71.04984	1.5
71.08630	1.3
79.05502	12.4
81.03407	4.1
81.07057	97.0
83.08609	5.8
85.06554	2.6
91.05483	7.2
93.07041	15.9
95.04970	2.8
95.08607	94.7
97.06510	1.9
97.10173	2.6
105.07027	5.7
107.08607	8.4
109.06538	1.8
109.10162	70.2
111.11729	1.7
117.07022	2.2
119.08567	3.6
121.10170	6.5
123.08073	1.7
123.11712	30.5
131.08585	3.2
133.10083	3.9
135.08031	1.5
135.11708	3.9
137.09654	2.8
137.13297	6.3
145.10130	3.0
147.11697	2.8
149.09572	1.4
149.13278	4.5
151.14822	2.4
159.11722	4.4
163.11157	2.8
163.14777	1.5
173.13237	3.3
177.12762	1.8
181.73512	1.2
183.17429	1.3
187.14832	2.8
195.13776	2.3
205.15794	1.5
209.15422	3.7
223.16998	1.4
223.97743	1.8
229.19458	2.5
232.18417	1.8
233.15355	2.0
239.10870	1.5
241.98770	3.7
247.20572	6.5
265.14023	1.7
265.21637	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	265.2163
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03944	1.6
55.01869	0.8
55.05514	9.4
57.07067	2.1
61.27394	0.6
65.03933	2.7
67.05510	100.0
69.07077	9.7
71.05000	1.6
79.05499	10.9
81.07063	94.3
83.04998	1.7
83.08637	4.5
84.20300	0.7
85.06547	2.1
91.05489	4.1
93.07052	12.8
95.05001	0.9
95.08614	86.1
96.08916	0.5
97.06548	1.9
97.10172	2.1
99.08089	0.7
100.34486	0.6
105.07047	2.9
105.51058	0.6
107.05018	0.6
107.08592	8.5
108.91411	0.5
109.06502	1.1
109.10162	65.9
111.08149	0.7
111.11738	0.8
116.98607	0.7
117.07036	1.5
119.08578	4.2
121.06504	0.7
121.10155	6.2
123.08063	1.4
123.11710	31.6
127.07542	1.1
131.08603	3.2
133.10155	3.2
135.11714	5.1
137.09618	2.3
137.13255	8.1
139.11162	0.6
145.10139	2.6
147.11687	2.2
149.09656	1.9
149.13252	3.5
151.11165	1.8
151.14819	1.2
159.11699	3.3
161.13257	0.6
163.11237	1.4
163.14812	2.2
165.12799	1.4
167.10693	1.2
173.13268	4.1
177.12758	2.5
181.12268	1.6
187.14848	1.6
191.14305	1.4
195.13812	2.6
205.16039	0.7
205.19611	0.8
209.15404	3.5
223.16949	2.1
223.97693	0.6
229.19518	2.2
241.98686	1.3
247.20560	4.6
250.62836	0.5
265.21643	75.9
287.12650	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1801
Annotation	Methyl atlantonate
Peak:m/z	Relative Intensity
53.03948	5.4
55.05510	21.9
57.07064	11.5
60.95940	4.1
65.03918	5.6
67.05505	67.5
69.07055	20.3
71.04971	5.6
73.23073	3.4
79.05502	63.9
81.03407	11.7
81.07063	83.2
83.08612	7.0
85.06551	6.4
91.05485	100.0
93.07052	47.9
93.30070	4.0
95.04955	15.6
95.08616	45.9
97.06529	6.7
103.05461	5.5
105.07034	73.4
107.04945	18.3
107.08608	28.6
109.06516	16.4
109.10162	20.6
115.05485	8.2
117.07018	32.8
119.08590	56.6
121.06503	14.7
121.10144	18.4
122.07189	7.4
123.08043	9.2
123.11730	8.3
128.06207	4.2
129.06976	9.5
131.08585	62.0
133.10107	15.5
135.08015	10.4
137.09558	5.8
141.07024	8.2
145.10161	20.4
147.08012	5.0
147.11749	5.8
149.09589	4.4
155.08531	6.1
159.08081	6.6
159.11697	6.4
163.11124	4.4
169.10118	12.5
171.11670	10.1
173.09528	4.0
173.13274	11.4
187.14784	20.2
196.96634	12.3
197.13278	15.9
205.12299	4.1
205.15877	15.0
215.14282	13.3
223.97690	9.6
233.15373	80.2
240.86490	5.0
241.98743	26.6
247.13385	4.7
256.00470	4.8
265.00385	14.9
265.14304	7.4
265.17657	20.8
265.21857	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	265.1437
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
53.03954	6.7
55.01859	4.1
55.05508	19.7
57.03447	6.9
63.50566	4.4
65.03923	6.9
67.05508	27.4
69.03437	43.9
69.07076	10.3
70.06602	4.8
71.04986	13.6
71.52704	5.0
72.08163	6.2
79.05498	16.6
81.07071	24.1
81.68185	4.1
83.04987	12.3
85.02914	5.6
87.04449	3.9
91.05482	47.2
93.03407	6.2
93.07062	45.6
95.04981	45.6
95.08621	22.0
97.02894	9.9
97.06528	8.4
99.04439	9.1
105.06397	6.7
105.07036	69.3
107.04935	8.2
107.08599	19.5
109.02841	4.4
109.06528	33.5
111.04458	29.7
111.08092	8.8
113.06013	12.8
115.05473	9.1
116.06226	6.7
117.07012	21.8
119.08589	80.7
120.00361	3.8
120.08127	4.9
121.02876	18.7
121.06519	43.3
121.10148	15.1
121.19698	4.0
123.08064	19.8
128.06218	7.1
129.07001	19.3
130.07834	6.2
131.08575	39.6
133.06468	14.3
133.10120	16.0
135.08067	73.1
136.06189	74.3
137.09610	19.6
139.03917	8.5
139.07501	10.6
141.06981	10.5
142.07741	9.2
143.08549	16.5
145.06468	24.2
145.10138	38.2
147.08067	46.7
147.11659	17.1
149.06024	5.3
149.09616	17.9
153.07004	6.8
155.08508	10.3
155.10661	5.8
157.10104	19.8
158.07285	23.6
159.08047	38.6
159.11707	47.4
160.08777	5.9
161.05925	6.2
161.09645	42.2
161.13260	5.7
165.09123	33.4
168.09256	5.8
171.08041	8.3
171.11679	8.6
172.08850	16.5
173.06035	6.0
173.09637	24.4
173.13196	21.5
175.07588	78.7
175.11206	35.7
175.13109	7.3
175.14723	5.4
181.10045	5.1
183.11691	13.1
185.09674	6.1
185.13310	7.9
187.11180	47.6
189.09113	9.7
189.12741	15.7
191.62560	5.0
193.08633	28.2
196.08836	6.6
199.11205	14.0
201.12770	36.0
203.10687	53.8
205.08540	9.4
205.12299	12.3
211.11188	21.8
217.08578	6.3
217.12292	25.4
219.10114	5.9
219.13774	15.7
221.13608	6.9
229.12212	32.9
234.13541	11.8
235.13278	9.6
247.13283	73.7
265.14297	100.0
266.16138	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	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
52.67292	3.5
53.03945	8.1
55.01871	7.7
55.05521	20.9
57.03424	7.8
65.03931	6.5
67.01871	4.0
67.05511	32.2
69.03436	48.9
69.07070	7.4
70.06600	5.1
70.10480	6.7
70.10882	5.9
71.04993	11.5
72.08160	38.9
73.02919	3.9
79.05489	26.2
81.03424	11.4
81.07061	17.6
83.04973	12.4
85.02904	15.9
85.06554	3.8
86.09704	4.8
87.00841	3.9
87.04459	4.6
90.91866	3.5
91.05484	56.1
93.03412	4.8
93.07047	44.6
95.04973	44.9
95.08613	19.7
97.02892	17.7
97.06548	9.2
98.20766	5.2
98.44112	3.3
99.04443	6.7
102.05573	5.2
103.05489	6.0
103.75797	3.5
105.07035	77.2
107.04951	9.5
107.08593	22.4
109.06522	31.3
109.10174	9.5
110.07128	3.4
111.04451	33.4
111.08076	9.9
111.19692	3.4
113.06011	26.3
115.03937	13.3
115.05464	6.8
116.06229	6.4
117.03364	4.3
117.07018	24.3
119.04942	5.4
119.08585	82.7
120.08106	19.6
121.02832	17.6
121.06507	45.2
121.10158	13.9
122.07143	3.9
123.04417	5.1
123.08052	23.2
125.02344	4.6
125.06021	4.6
125.09641	3.8
127.03881	7.8
128.06244	7.5
129.07048	20.3
130.06505	3.1
130.07777	7.5
131.04893	4.0
131.08559	41.1
133.04985	5.2
133.06499	13.0
133.10126	21.1
135.08060	89.7
136.06219	4.2
137.06001	4.2
137.09619	19.7
138.03215	3.3
139.03885	12.1
139.07524	7.3
140.02592	3.6
141.06985	9.9
142.07767	15.6
143.08556	18.8
144.05704	7.9
144.09395	7.8
145.02907	8.4
145.06487	15.2
145.10107	34.1
146.06021	4.1
146.07204	4.3
147.04405	7.1
147.08058	44.8
147.11694	18.8
149.05983	8.6
149.09604	13.9
151.07588	7.9
155.08568	12.9
156.09360	8.2
157.06570	8.2
157.10147	28.2
158.07242	26.5
159.08063	43.7
159.11699	38.2
160.08769	4.4
161.04509	4.5
161.05983	4.9
161.09630	44.1
161.13263	9.7
163.03893	5.7
163.07521	6.8
165.09109	37.9
168.09344	7.9
169.10011	4.1
171.08055	10.2
171.11713	8.3
172.08806	23.4
173.05974	6.2
173.09602	24.5
173.13255	27.5
173.57173	3.2
175.07564	83.0
175.11169	40.4
177.05481	19.4
183.11693	14.0
185.09612	8.8
186.10379	8.5
187.07571	4.9
187.11201	48.3
189.09082	11.3
189.12759	17.6
191.06924	5.2
193.08636	24.4
193.10156	5.8
196.08829	6.5
199.11169	16.7
201.12756	42.9
202.12460	3.6
203.10693	49.7
205.12263	8.7
207.10144	4.4
211.11157	24.7
217.12282	27.4
219.13823	14.6
222.19371	3.9
229.12239	35.0
235.13332	9.9
247.13248	66.1
265.06863	5.2
265.11349	9.5
265.14276	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	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
53.03948	3.1
55.01868	6.9
55.05505	10.9
56.05034	9.1
56.96570	2.7
57.03443	5.5
64.12220	2.2
65.03941	5.3
67.05515	27.1
69.03434	26.2
69.07076	4.6
69.31909	2.7
70.06590	5.2
71.05005	4.8
71.09773	5.4
72.07758	2.8
72.08160	47.7
77.03956	2.3
79.05508	18.6
80.84627	2.6
81.03369	2.7
81.07052	17.0
81.61134	2.7
83.04996	6.9
83.08584	3.2
84.04512	19.6
85.02922	12.3
85.06577	4.7
86.09711	6.8
87.00839	3.7
87.04460	4.3
90.26748	3.1
91.04969	4.2
91.05486	46.5
93.03426	4.5
93.07050	32.2
95.04977	30.3
95.08601	18.6
97.02900	7.9
97.06551	7.5
99.04492	6.1
103.05467	11.5
104.90366	2.4
105.07037	48.5
107.04939	10.1
107.08620	16.6
109.02859	2.8
109.06541	21.6
109.10158	4.2
111.04465	19.6
111.08083	8.4
112.32088	2.8
113.02380	2.7
113.06002	10.1
115.03953	15.1
115.05473	8.7
116.06304	3.0
117.07008	19.0
118.06564	35.0
118.08700	3.5
119.04960	8.3
119.08585	62.5
120.08115	100.0
121.02876	6.9
121.06512	36.2
121.10155	10.9
122.07172	6.1
123.04451	3.8
123.08079	17.6
125.05986	3.6
125.09624	3.8
127.04013	2.4
128.06203	5.3
129.07016	16.0
130.05058	3.3
130.07843	6.7
131.04945	3.7
131.08571	31.5
133.06487	10.5
133.10152	14.0
134.09641	3.5
135.04518	3.1
135.07066	2.0
135.08060	59.2
135.10046	3.3
135.11713	3.1
136.07588	44.9
137.05986	6.2
137.09633	11.3
139.03896	7.9
139.07523	4.6
141.06993	10.4
142.07817	7.1
143.08542	12.1
144.05762	3.5
144.09364	6.9
145.06508	13.5
145.10141	21.4
146.07262	5.6
147.04434	6.2
147.06906	4.1
147.08060	34.2
147.11713	11.1
149.06006	6.8
149.09628	9.4
151.07539	6.3
152.05717	5.3
153.09109	3.4
155.08531	5.9
157.10098	18.6
158.07224	15.3
158.10863	3.7
159.08080	30.9
159.11684	23.9
160.07594	4.4
160.08836	4.4
161.04543	4.6
161.05934	5.9
161.09616	21.6
161.13268	4.0
163.07498	3.9
163.08723	5.3
163.12334	5.9
165.09109	21.2
168.09366	4.6
169.10081	4.1
171.08044	4.9
171.11710	5.8
172.08838	9.8
173.06029	14.9
173.09599	12.8
173.13173	13.5
174.09174	7.8
175.07562	50.7
175.11136	26.6
177.05400	3.9
177.09029	4.3
177.10381	4.9
178.08652	8.9
180.06552	3.4
181.06522	3.1
183.11717	7.5
185.09613	3.3
186.10458	3.3
187.07539	6.2
187.11176	34.4
188.07098	3.9
189.09164	6.1
189.12770	8.1
190.06186	3.2
193.08620	15.3
193.10112	2.8
196.08864	3.4
199.11232	10.2
201.09001	4.2
201.12689	23.9
202.08638	8.8
203.07097	3.4
203.10678	36.3
205.08595	8.4
205.10130	3.7
205.12158	4.3
211.11229	15.2
211.13112	3.0
217.08659	5.4
217.12227	14.9
219.11795	3.3
219.13799	8.6
220.09604	3.3
229.08676	3.6
229.12257	18.2
235.13345	5.4
247.11000	4.5
247.13228	42.8
248.09239	8.5
265.11899	88.0
265.14587	49.4
266.12460	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	265.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69482	1.2
52.90187	1.3
53.03941	1.7
55.01858	2.8
55.05502	3.2
56.05030	1.7
56.96564	13.8
57.03434	3.2
57.07073	1.3
59.04999	1.1
61.02905	3.5
67.05497	2.6
69.03424	8.9
69.07049	3.2
70.06573	4.4
71.04996	1.9
71.52750	1.6
72.08134	4.9
72.08498	1.3
73.02898	5.3
79.05495	3.0
81.03400	3.6
81.04529	4.7
81.07042	2.9
83.04977	1.5
84.04498	5.0
84.08136	3.4
84.96012	2.9
85.02904	16.0
85.04832	3.7
85.06528	3.3
87.04440	3.4
91.03960	1.6
91.05442	2.4
93.07010	1.8
95.04962	1.9
95.08574	1.6
97.02889	9.1
98.97584	23.7
99.04448	2.9
99.78562	1.2
101.00713	1.2
102.05545	14.5
103.00658	1.4
107.04933	4.1
109.02877	3.3
110.97565	3.9
111.10042	1.6
112.07615	6.8
112.99104	2.2
115.04012	1.4
116.07133	1.3
116.98605	6.9
119.01824	2.3
119.03562	2.3
119.04922	3.4
121.01616	1.5
121.06442	1.3
122.07153	38.5
124.02856	1.2
127.00661	1.2
127.03891	4.8
128.02296	1.5
128.98586	4.1
130.04956	2.4
130.08646	10.2
131.00127	2.4
131.01852	1.5
132.95851	1.6
132.98022	1.4
134.99631	2.6
136.06189	100.0
136.09433	3.8
137.05942	1.3
138.02516	1.2
143.00168	2.6
144.04753	10.4
145.01660	6.0
145.04948	2.5
146.99658	2.4
147.04402	9.4
152.64571	1.4
154.03798	1.6
155.04750	1.4
156.03363	2.5
157.01678	2.1
157.10547	2.7
158.99597	6.2
160.06384	1.4
161.01282	2.3
161.02852	1.7
161.04683	2.1
163.02696	6.7
166.04883	1.7
167.07123	1.8
168.05452	1.8
173.09497	1.7
174.04317	2.5
174.55186	2.4
175.02869	2.1
175.04401	4.0
177.00636	3.7
177.04199	1.6
178.04991	1.4
183.07654	2.8
183.55504	1.6
184.04945	9.7
184.54919	1.3
185.10060	2.5
186.04324	3.4
189.00743	1.7
193.00172	1.5
199.02713	1.5
199.05470	1.2
201.00659	2.8
201.02344	1.3
202.10735	4.0
203.11050	12.8
205.03857	4.0
207.05322	1.3
213.05473	1.6
219.01707	2.7
219.06847	1.3
221.03409	1.9
223.01085	1.9
223.04884	2.7
237.02757	2.4
247.01300	1.5
247.10951	1.5
247.13612	1.6
253.12210	1.8
256.06952	2.0
264.58087	1.6
265.05984	2.1
265.09503	1.6
265.11856	4.9
265.14450	2.2
283.06662	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1596
Annotation	Pyridoxatin
Peak:m/z	Relative Intensity
55.05513	0.5
67.05495	1.0
69.50078	2.0
70.34973	0.3
79.05495	0.8
80.05019	1.3
80.51878	0.4
81.07056	1.7
83.08630	0.4
84.04516	0.4
87.04475	5.5
91.05491	1.3
93.07047	0.7
95.04941	0.3
95.08608	0.5
98.20748	0.6
105.07033	1.4
107.08607	0.6
108.08125	6.5
108.08855	0.5
110.09673	0.7
112.55194	0.4
117.05762	0.4
117.06991	0.5
118.06557	1.5
119.08596	1.3
120.08115	0.4
121.10133	0.4
129.07018	0.5
130.06535	0.4
131.07320	0.6
131.08534	0.3
132.08089	1.2
133.10141	0.6
135.08099	1.8
136.08435	2.9
144.08098	6.5
145.08824	0.5
146.09642	1.4
158.09634	2.9
159.10359	1.6
160.11189	0.9
166.07376	0.6
166.08661	1.4
166.25226	0.3
172.11264	2.0
176.07068	4.6
176.14366	4.7
188.07074	0.6
188.14267	0.4
190.08644	1.7
194.11789	7.8
196.13344	2.8
202.15921	28.5
204.10286	1.5
206.08167	0.7
216.13849	21.9
218.12007	0.5
220.09698	0.8
228.11055	0.5
234.14905	29.1
246.12326	0.6
246.14865	3.6
264.15970	100.0
264.19458	9.1
265.16321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03947	2.2
55.05518	14.2
56.96563	1.1
57.03441	1.2
57.07083	10.6
62.27014	0.7
65.03937	2.5
65.25344	0.7
67.05511	81.8
69.03436	0.7
69.07076	17.3
69.82333	3.6
71.04984	1.3
71.08639	6.3
77.03915	1.2
79.05064	1.3
79.05501	17.6
81.07065	100.0
83.04990	1.8
83.08625	13.7
84.31434	0.6
85.06554	3.9
85.10190	3.3
91.05489	16.0
93.07050	21.3
95.04981	2.3
95.08615	84.8
97.06528	7.2
97.10181	6.9
98.21396	1.1
99.08096	6.4
105.07043	12.6
105.50320	0.6
107.08604	14.3
109.06545	1.8
109.10165	44.6
111.08089	4.8
111.11729	2.4
113.09644	2.9
117.07068	1.0
119.08591	13.1
121.09325	1.1
121.10158	16.5
123.08073	3.1
123.11721	20.7
125.09647	1.5
127.11233	2.4
133.10135	14.7
135.11722	11.8
137.09616	2.0
137.13260	8.0
141.12769	2.3
141.24010	0.7
142.07877	0.6
143.08566	1.2
145.10146	0.9
147.11703	11.1
149.13301	9.8
151.11272	1.3
151.14842	8.2
154.25882	0.7
155.14313	2.8
157.10121	1.4
161.13268	11.6
163.14851	9.1
165.16391	10.4
166.34631	0.8
167.14366	1.5
175.14853	7.1
177.16406	1.3
179.17960	4.7
181.15790	0.9
189.16397	3.7
199.06577	0.7
203.17970	2.0
215.52328	0.7
217.07483	1.3
217.19595	1.3
219.21167	1.0
221.13226	1.7
233.13220	1.3
245.22670	38.7
248.15498	0.9
263.18243	4.1
263.23724	91.1
280.43607	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
51.25232	0.5
53.03951	1.9
54.58298	0.6
55.05514	15.5
55.47557	0.6
57.03441	1.3
57.07080	12.5
65.03928	1.5
67.05510	82.3
69.03466	0.7
69.07076	17.1
71.04993	2.3
71.08643	7.8
71.18029	0.9
79.05148	0.4
79.05496	19.4
81.07063	100.0
83.04993	1.3
83.08628	16.1
85.06554	5.0
85.10182	3.6
91.05492	16.5
93.07053	24.5
95.04978	1.8
95.08616	92.0
97.06541	8.9
97.10174	7.7
99.08112	6.3
105.07032	10.5
107.08608	14.4
109.06496	1.3
109.10165	51.4
111.08083	4.4
111.11724	1.8
113.09656	3.3
117.07019	0.8
119.08592	12.0
121.09321	1.2
121.10159	18.6
123.08080	2.5
123.11715	21.9
125.09622	1.0
125.13251	0.6
127.11201	2.5
131.08618	0.9
133.10143	16.2
135.11693	9.7
137.09624	2.0
137.13258	8.9
139.11177	1.1
141.12764	2.8
147.11705	10.2
149.13269	8.8
151.11197	1.4
151.14836	9.7
155.14320	2.7
156.56433	0.7
161.13271	12.0
163.14833	8.4
165.16417	12.8
175.14836	9.7
177.16388	2.3
179.14366	1.1
179.17947	5.8
181.15845	1.5
188.99309	0.8
189.16325	4.0
191.18069	0.7
203.17952	2.0
207.17409	0.8
217.19540	1.8
233.12912	0.6
239.76927	0.7
245.22662	44.2
263.23718	96.7
264.24023	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06592	3.0
59.07377	1.3
60.08168	66.5
69.80093	0.7
70.96123	1.2
70.96450	1.0
100.07619	3.7
103.84564	0.7
104.05002	0.9
118.06520	1.6
118.08661	9.2
120.08096	2.4
130.06535	58.1
132.04462	47.6
134.31378	0.9
146.06003	0.7
148.07587	14.7
158.06023	45.6
160.07588	1.4
174.06146	0.9
176.07086	43.4
186.05511	8.7
204.06569	66.7
217.86906	1.0
263.13925	100.0
277.84872	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1491
Annotation	(Z)-3-Hexenyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03941	4.3
55.01865	7.6
55.05513	28.2
57.03439	10.8
58.52441	2.0
59.04993	5.7
61.02924	7.2
67.05511	15.3
69.03433	27.5
69.07076	12.2
70.06573	3.2
70.77686	4.2
71.01353	3.3
71.04996	100.0
73.02917	7.8
79.05499	16.8
81.03421	14.4
81.07060	22.0
83.04985	17.2
83.08621	20.1
85.02914	82.0
85.03442	3.4
85.06563	5.9
87.04478	3.5
91.03922	3.4
91.05485	15.7
93.07037	21.3
95.04979	18.0
95.08621	20.5
97.02904	19.5
97.06553	15.2
97.70042	1.5
99.04467	10.6
99.08097	8.0
103.03957	5.4
103.05456	5.1
105.07024	12.1
107.04955	3.4
107.08575	10.3
109.02883	9.2
109.06528	8.0
109.10148	5.7
111.04440	6.8
111.08086	28.6
113.09639	10.7
115.03928	5.6
117.07014	5.0
119.08588	7.8
121.06506	11.4
121.10159	5.5
123.04443	3.4
123.08077	11.0
125.05972	3.1
125.09653	3.5
127.03930	20.1
127.07551	4.3
129.05533	2.5
129.09125	15.6
131.08571	4.3
133.04970	4.2
133.06482	2.6
133.10222	3.8
135.08037	11.0
137.09637	7.3
139.07555	34.1
139.11116	3.2
141.09108	20.7
145.04973	18.4
145.10118	3.5
147.04417	4.2
147.08133	3.8
149.09624	5.2
151.07541	20.6
153.09129	7.2
154.65718	1.6
155.10660	5.1
155.27759	1.8
157.07599	3.1
157.10106	1.9
161.09641	3.0
163.06017	4.2
163.11182	3.9
165.09126	3.3
167.10629	8.8
169.08621	9.9
179.10713	7.2
183.10037	1.8
185.11798	2.5
191.10672	8.1
197.11700	4.4
209.11754	14.0
227.12802	9.8
245.13683	4.5
246.12363	2.5
263.14737	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	263.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76410	0.8
54.03465	1.0
55.05524	1.1
56.96573	1.7
58.06594	3.4
60.08170	78.3
68.30822	0.7
70.25294	2.8
72.04032	0.8
72.08134	1.2
73.02899	0.9
79.53039	0.9
82.06589	1.5
84.04496	1.8
84.08144	0.9
85.02917	1.3
85.06527	0.9
86.09727	0.9
90.05578	1.0
98.97588	4.4
100.07645	1.2
102.05621	0.9
118.06527	1.3
118.08664	2.7
120.08083	2.9
123.05260	0.9
128.07060	2.7
130.06540	80.4
132.04463	32.2
141.10204	1.8
142.08647	1.7
148.07588	17.1
158.06030	83.8
158.99701	1.2
160.07619	1.3
170.08144	3.3
176.07088	45.6
184.09706	1.6
186.05519	29.8
187.10779	9.2
201.12389	3.0
202.10733	2.1
204.06575	73.1
213.12411	2.5
219.01715	1.5
239.99716	0.8
262.60437	1.9
263.13928	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
70.99880	1.0
71.33478	0.7
77.00958	1.0
77.08951	0.5
82.99834	3.7
86.99384	0.8
89.00938	0.9
89.37682	0.5
101.00890	33.0
112.89639	0.6
113.00864	3.8
115.02446	1.0
119.01929	24.1
127.02470	0.9
131.01901	5.0
137.02963	0.7
139.02451	1.3
143.01907	72.5
145.03510	1.6
155.01921	3.5
157.03468	3.6
161.02968	100.0
162.03178	0.5
167.01884	0.6
173.02974	8.1
175.04451	1.0
179.03989	1.1
184.04553	1.4
184.84044	0.5
185.02963	3.4
191.04024	5.0
197.02899	0.6
203.04022	50.4
221.05069	5.0
233.05110	0.4
239.06042	1.6
245.05081	0.6
247.31519	0.5
263.05994	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	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24030	5.8
54.20348	5.0
54.40639	4.8
64.82430	5.6
67.33571	4.9
70.45760	17.9
82.99828	8.5
101.00901	30.8
104.10729	8.5
113.00843	14.6
119.01941	32.2
131.01929	14.8
143.01909	93.0
150.41336	5.3
155.01886	20.8
161.02954	100.0
173.02893	32.7
191.04062	12.1
203.04077	37.3
204.12361	19.6
220.73489	5.2
221.05249	5.4
258.06424	6.2
263.01709	49.6
263.05853	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	263.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65419	0.5
53.03947	0.9
55.01870	1.2
56.05026	1.7
56.96563	3.5
57.03448	3.0
57.19556	0.5
60.08165	1.2
61.02925	2.4
65.73282	0.5
69.03434	5.5
70.06586	0.9
70.53665	0.8
70.54035	1.6
70.98124	1.0
70.99847	0.8
71.04993	1.4
73.02914	2.6
73.99033	0.6
74.06090	1.2
81.03420	2.8
82.99817	4.1
83.05021	0.6
84.08133	1.3
84.96044	0.7
85.02914	8.8
87.04475	1.2
90.05540	0.7
94.99837	0.6
97.02901	7.1
98.97591	6.8
99.04436	0.9
101.00886	31.1
102.05594	0.6
102.97530	0.5
103.02460	0.7
105.00368	0.7
106.32938	0.5
107.04912	0.5
109.02873	2.8
110.97569	1.0
112.07592	0.9
113.00877	5.6
115.02416	1.2
116.35793	0.6
116.98631	1.7
119.01929	26.3
122.03913	0.7
124.03685	0.6
127.02422	1.4
127.03935	2.7
128.04010	0.8
130.06541	0.8
130.08633	0.7
131.01915	10.2
133.03458	1.5
137.02972	1.1
139.02405	1.8
139.03935	0.9
140.98575	0.7
142.03731	0.6
143.01907	70.7
145.03487	2.3
145.04936	1.6
149.03027	0.7
155.01897	7.7
156.02841	0.7
157.01633	0.6
157.03410	4.7
158.06039	1.0
158.99698	1.6
159.03224	0.7
160.04814	0.6
161.02965	100.0
164.05016	0.7
166.04774	6.2
167.01874	1.0
167.05594	0.7
169.03421	0.9
171.05104	0.9
173.01405	1.2
173.02974	19.5
173.05545	2.1
175.05418	3.8
175.55380	1.0
177.00728	1.2
179.03951	1.2
182.06071	1.5
183.04091	1.0
184.04549	1.2
185.02968	5.2
187.04585	2.7
190.05763	1.0
191.02432	1.1
191.04027	10.1
191.06592	2.5
197.02983	1.4
199.04601	0.9
201.12402	0.6
203.04024	46.3
204.06641	1.2
215.04060	1.2
217.02023	1.0
217.05740	0.6
219.02051	0.8
221.05089	4.1
230.98077	0.6
231.06213	0.6
233.05055	1.2
235.06619	0.9
239.06224	0.7
240.03682	0.6
245.05136	1.5
253.07666	1.0
263.06134	27.3
263.08633	2.8
263.13892	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1803
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
57.07075	0.6
64.38721	0.3
69.03448	0.3
70.06594	1.9
70.13200	1.1
71.08628	0.5
74.27285	0.2
76.08528	0.2
84.08157	0.3
87.04474	27.5
88.07643	1.9
98.21378	0.3
106.08688	0.3
114.09171	0.8
118.06554	9.5
120.08134	0.3
132.08092	3.1
132.09085	0.3
132.09277	0.3
132.10210	2.7
133.08878	2.0
134.09647	0.7
146.09654	3.0
147.10396	0.4
150.11284	2.5
159.14026	0.2
176.14359	69.1
177.14737	0.4
198.46709	0.2
218.11646	0.3
218.21202	0.8
259.30942	0.3
262.18033	100.0
262.23776	16.2
263.18381	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.0
55.01868	25.1
55.05513	98.4
56.05033	20.2
57.03433	8.9
57.07070	16.3
59.05048	8.0
63.86303	6.8
67.05510	43.3
69.03408	9.4
69.07057	24.8
70.06603	19.1
71.01347	9.0
71.04993	14.8
71.53033	9.1
72.04520	68.2
74.02448	23.8
79.05489	55.2
81.03422	48.9
81.07055	63.2
83.04975	36.5
83.08614	23.4
85.02923	26.5
87.04483	9.3
88.07623	25.5
91.05479	22.1
93.07048	48.2
95.04992	20.7
95.08625	49.4
97.02924	19.6
97.06535	11.6
97.10166	51.4
97.40736	7.0
102.09206	13.4
105.07017	20.9
107.04958	21.3
107.08594	33.9
109.06519	9.4
109.10141	10.2
111.04414	14.1
117.07013	23.1
119.08601	13.8
121.04015	40.6
121.10171	22.0
125.09635	18.3
135.11682	31.8
145.10172	17.6
149.02296	20.5
150.02676	19.3
153.12720	12.1
163.11130	39.6
176.14343	25.5
200.20123	35.2
203.12834	10.0
244.09718	7.4
244.22720	8.8
262.15216	14.9
262.18048	65.9
262.20969	17.4
262.23831	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	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02374	0.3
53.03948	1.6
55.05262	0.6
55.05513	8.1
57.03440	0.7
57.07081	2.6
65.03946	2.1
67.05508	28.6
69.07073	9.1
71.04994	2.1
71.08640	1.0
77.03902	0.8
79.05497	36.5
81.07061	34.3
83.04986	0.6
83.08629	5.0
85.06533	2.4
85.10195	0.6
91.05482	18.6
91.73898	0.3
93.03440	0.4
93.07049	49.8
95.04969	2.4
95.08613	25.6
95.30042	0.3
97.06551	2.5
97.10197	2.3
99.08119	2.5
105.04508	0.8
105.07037	12.6
107.08600	34.8
109.06520	1.1
109.10162	10.2
111.08081	2.0
111.11711	0.3
113.09652	1.0
117.07019	4.5
119.06091	0.4
119.08585	12.2
121.02845	0.5
121.06543	0.4
121.10151	29.7
121.64431	0.3
123.08081	0.8
123.11716	3.6
125.09611	0.5
129.07004	0.5
130.06514	0.3
131.08578	9.9
133.09142	0.5
133.10144	9.8
135.11700	24.4
137.09633	1.4
137.13264	1.2
139.11200	0.5
143.08563	0.5
145.09045	0.7
145.10126	10.7
145.61214	0.4
147.11699	8.5
149.02374	7.0
149.03496	1.0
149.09637	0.6
149.13269	20.7
151.11220	0.7
151.14854	0.6
153.12749	0.7
159.11694	8.4
161.13264	9.5
163.11139	0.5
163.14835	17.0
165.12813	1.1
165.16336	0.4
173.13269	8.2
175.14850	3.6
177.16394	4.4
177.40837	0.4
179.14325	1.2
187.14816	4.3
189.16373	0.7
189.35049	0.4
191.14511	0.4
201.16391	2.7
205.14189	0.9
205.15886	0.6
215.17935	1.5
217.19496	0.6
229.17943	0.3
233.19185	0.3
233.22603	0.9
243.21098	23.8
261.22147	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03948	1.6
53.70463	0.3
55.01868	0.6
55.05516	9.1
57.03436	1.5
57.07080	2.5
65.03941	1.5
67.05509	26.7
69.07072	8.8
71.04989	1.4
71.08640	1.0
77.03932	0.7
79.05499	36.2
81.07061	33.4
83.04977	0.8
83.08625	4.9
85.06551	2.3
91.04901	0.6
91.05484	18.1
93.07048	48.8
95.04965	2.0
95.08613	25.0
97.06539	2.1
97.10166	1.5
99.08088	2.4
105.04536	1.0
105.07037	14.2
106.07711	0.3
107.08600	32.4
109.06536	1.2
109.10168	10.3
111.08073	2.1
113.09647	1.0
117.07012	4.2
119.06110	0.4
119.08587	10.5
121.10150	32.2
123.08070	0.8
123.11716	3.0
125.09628	0.9
131.08571	10.2
133.10146	9.6
135.08063	0.4
135.11697	24.5
137.09689	0.8
137.13257	1.1
138.83749	0.4
145.10129	10.6
147.11694	8.4
149.02377	2.2
149.03418	0.5
149.09608	0.7
149.13271	21.4
151.11217	0.7
153.12791	0.8
159.11702	6.8
161.13260	9.2
163.11209	0.5
163.14830	15.8
165.12756	0.9
173.13269	6.6
175.14819	3.9
177.12778	0.6
177.16394	4.1
179.14325	1.9
187.14832	5.7
189.16396	0.9
191.14282	0.5
201.16405	2.7
203.17972	0.6
205.15829	0.4
215.17943	1.3
217.19540	0.6
219.17455	0.8
233.22585	0.9
243.21097	25.9
244.21574	0.3
261.22150	100.0
262.22519	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
53.03943	1.5
55.05513	9.5
57.03431	1.1
57.07082	3.1
57.87243	0.3
60.06462	0.4
65.03943	1.8
67.05508	31.5
69.07070	10.1
69.83011	2.1
71.05001	1.5
71.08622	0.8
77.03925	0.8
77.11456	0.4
79.05498	37.6
81.03436	0.3
81.07060	35.2
82.07372	0.3
83.04987	1.0
83.08627	5.9
85.06545	2.5
85.10214	0.4
91.05486	20.3
93.07047	55.8
95.04976	2.0
95.08611	26.9
97.06542	2.8
97.10140	2.4
99.08097	3.3
105.04520	1.0
105.07038	15.0
107.08600	36.0
109.06523	1.2
109.10166	10.5
111.08103	2.4
111.11716	0.6
113.09632	1.0
117.07028	5.2
119.08591	12.0
121.10151	32.5
123.08037	1.0
123.11719	3.4
125.09682	0.6
131.08571	10.6
133.10127	9.9
135.08054	0.6
135.11696	27.0
137.09616	1.5
137.13216	1.0
139.11171	0.4
145.10130	11.5
147.11684	9.6
149.02361	1.1
149.09627	1.1
149.13263	21.7
151.11208	1.0
151.14780	0.7
153.12794	0.6
157.10150	0.5
159.11705	8.9
161.13263	9.5
163.11150	0.6
163.14836	18.3
165.12778	1.6
165.16396	0.4
173.13272	9.3
175.14854	3.8
177.12872	0.6
177.16393	4.8
179.14322	1.6
187.14835	5.3
189.16415	0.6
191.14275	0.5
201.16397	2.7
203.18057	0.5
205.15895	0.8
215.17958	1.5
217.19431	0.5
219.17491	0.7
233.22624	1.3
243.21098	27.2
261.22153	100.0
262.22330	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
52.31263	0.3
53.03944	1.3
55.01873	0.7
55.05511	8.7
57.03429	0.9
57.07079	2.4
65.03929	1.6
67.05506	28.5
69.07071	8.9
69.07349	0.2
70.46221	0.3
71.04993	1.6
71.08627	1.2
77.03905	0.7
79.05495	36.9
81.07059	32.4
83.04981	0.9
83.08628	5.1
85.06065	0.4
85.06528	2.5
85.10213	0.4
91.04903	0.4
91.05485	18.2
93.07047	52.9
95.04993	2.0
95.08609	26.2
97.06522	2.0
97.10165	1.2
98.21527	0.7
99.08109	2.9
103.05460	0.3
105.04524	1.0
105.07031	13.0
107.08599	35.0
109.06532	1.3
109.10159	11.0
111.08064	1.8
111.11727	0.6
113.09652	0.9
115.82752	0.3
117.07006	5.2
119.06060	0.6
119.08582	11.7
121.10146	32.5
123.08068	1.1
123.11694	3.4
125.09613	0.8
127.11214	0.4
129.06949	0.4
131.08577	10.8
133.10132	9.1
135.11700	26.0
137.09627	1.1
137.13264	1.1
139.11160	0.8
142.65891	0.3
144.09418	0.3
145.10127	11.0
146.62154	0.3
147.11691	8.8
149.02364	1.6
149.03423	0.4
149.09657	0.7
149.13263	20.8
151.11182	0.6
151.14890	0.4
153.12753	0.5
159.11703	7.7
161.13266	10.2
163.11252	0.6
163.14822	15.8
165.12773	1.2
173.13275	7.9
175.14851	3.3
177.12793	0.5
177.16386	5.2
179.14325	1.3
184.40971	0.3
187.14832	5.8
189.16476	0.5
191.14339	0.5
200.15814	0.3
201.16377	2.2
203.40129	0.3
205.15813	0.6
215.17953	1.3
217.19545	0.6
219.17398	0.8
233.22655	0.8
243.18521	0.5
243.21098	26.3
261.22147	100.0
262.22382	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02381	0.7
52.75872	0.5
53.03951	2.5
55.01866	0.7
55.05265	1.0
55.05518	11.9
57.03440	1.4
57.07079	3.6
65.03948	2.5
65.18552	0.5
67.05509	37.3
69.03487	0.5
69.07069	11.5
70.67608	1.0
71.04987	1.6
71.08616	1.6
77.03915	0.8
79.05498	49.2
81.07064	41.0
81.07443	0.6
83.04984	1.1
83.08628	6.7
85.06548	3.4
91.04906	0.8
91.05488	23.7
93.07050	67.0
95.04984	3.2
95.08615	33.7
97.06533	3.6
97.10177	2.5
99.08089	4.0
105.04517	1.3
105.07040	16.6
107.08601	38.8
107.20786	0.6
109.06519	1.6
109.10161	13.3
111.08075	2.8
111.11708	0.9
113.09657	1.6
117.07012	5.7
119.06165	0.6
119.07921	0.3
119.08586	13.6
121.10152	37.3
123.08070	1.5
123.11719	4.3
125.09607	0.8
131.08585	11.2
133.09154	0.5
133.10139	10.4
133.11093	0.8
135.11702	27.0
137.09654	1.4
137.13232	1.1
139.11232	0.9
145.09045	1.0
145.10135	13.3
147.11716	8.4
147.66579	0.5
149.02377	5.5
149.03467	1.0
149.09619	0.8
149.13268	23.4
151.11241	0.9
151.14798	0.7
153.12860	0.5
158.06058	1.1
159.11696	7.6
161.13281	10.2
163.11188	0.5
163.13416	1.0
163.14828	17.9
165.12767	0.7
173.13263	9.4
175.14850	3.3
177.16396	4.5
179.14313	1.0
187.14827	6.2
189.16493	0.6
201.16412	1.9
203.17947	0.8
215.17964	1.8
219.17485	1.0
233.22726	1.4
235.43469	0.6
243.21101	28.1
261.03879	0.6
261.12790	2.2
261.22150	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0583
Annotation	Suprofen
Peak:m/z	Relative Intensity
62.34533	0.7
63.63129	0.8
69.96640	1.5
69.97047	2.4
81.04546	1.3
88.07618	1.1
90.97144	0.8
99.05600	1.2
104.10720	1.2
105.35931	0.9
109.30777	0.9
110.16837	1.0
112.48772	0.7
139.00012	0.9
169.01158	1.3
171.02658	1.5
201.03789	2.8
229.03217	28.8
231.48372	0.9
243.04816	3.7
245.25856	0.9
261.05850	100.0
261.09433	14.0
261.14291	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82183	0.3
52.39814	0.4
55.05496	0.9
55.16930	0.3
56.05026	0.6
56.96569	2.9
58.99588	5.3
65.03934	1.1
67.05170	0.6
67.05506	6.8
69.03417	1.1
69.07070	20.3
70.06585	0.8
70.99557	0.5
71.50412	0.4
72.08141	0.5
73.01147	0.6
76.02215	2.0
83.06099	0.9
83.08607	0.4
84.04510	6.3
84.08152	0.8
84.96030	0.7
85.02893	1.2
85.04850	0.9
86.09225	0.5
86.09710	5.5
86.99053	0.5
87.10036	0.5
88.03991	0.9
93.07034	0.4
93.36820	0.4
95.04981	0.7
97.02889	0.7
98.97592	4.9
99.02678	2.0
101.04248	34.7
102.03857	0.4
102.05557	1.1
104.05324	0.5
109.02836	0.6
109.06586	0.4
110.06023	0.8
110.97582	1.2
111.04443	0.4
112.07616	2.4
115.00712	0.5
116.98595	1.6
121.02827	0.4
122.02750	0.7
123.04333	0.4
124.07577	0.7
127.02153	4.5
127.05785	1.3
128.98599	0.5
129.01001	0.4
129.03731	1.9
130.06531	1.7
130.08603	0.7
131.00111	0.6
131.67122	0.4
132.10210	2.5
138.05476	0.7
139.03923	0.5
140.07057	5.5
140.98611	0.7
143.00188	0.4
144.04781	0.9
149.02353	4.9
149.03448	0.5
155.01622	1.2
157.07594	0.5
158.06042	2.8
158.99715	1.6
168.04776	0.8
170.06357	1.5
170.99655	0.8
172.04282	100.0
173.01122	0.5
173.07217	0.4
177.00784	0.6
180.04765	1.1
181.83952	0.4
182.99721	0.6
189.00742	0.4
197.07463	1.8
197.12860	2.9
198.05878	3.0
198.13258	0.7
201.00688	0.8
215.06577	0.5
215.08542	7.4
215.10443	0.5
219.01758	1.0
219.04692	0.4
237.02887	1.1
243.13394	3.1
243.15489	1.2
244.06407	12.0
244.13754	0.6
261.03149	0.5
261.09091	13.0
261.14883	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	261.031
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	3.3
59.00228	0.4
60.51512	0.4
60.95815	0.4
61.02938	0.5
69.85532	1.2
69.85945	0.9
71.95278	1.0
76.91658	0.4
78.18081	0.4
81.03424	0.4
82.99860	0.7
84.08127	1.3
84.96069	0.5
98.97590	20.8
99.97935	0.6
101.00886	4.1
102.96863	1.5
110.02312	0.4
110.97595	0.9
116.98632	8.5
119.01918	4.3
120.97900	0.5
129.10260	0.4
134.99649	1.7
140.00273	0.4
140.98752	1.3
143.00125	0.6
147.11317	0.4
158.99806	3.5
170.99548	0.4
173.01320	0.5
177.00955	9.1
182.99850	1.3
186.48509	0.6
189.00722	0.8
190.01079	0.4
194.91266	0.4
195.22023	0.4
196.90933	0.8
196.94542	2.1
201.00876	3.8
212.92291	0.7
214.91994	1.7
214.95573	4.7
217.04182	1.8
219.02007	14.7
219.96031	0.7
225.00888	2.2
225.22162	0.4
232.93031	1.6
232.96678	1.7
237.02699	0.5
237.97173	3.7
238.95529	0.6
242.03474	0.4
242.98245	0.7
243.02023	14.9
246.94606	1.2
250.46255	0.4
254.93423	0.9
255.94936	3.2
255.98199	1.0
256.96606	2.2
258.45230	1.0
258.95322	0.6
259.46857	0.5
260.99872	3.4
261.03076	100.0
262.03271	1.6
264.44052	0.5
264.95480	1.1
267.45731	1.2
272.94421	1.5
273.94595	1.6
278.96909	1.7
279.00671	3.8
279.03625	0.7
284.04596	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.201
Annotation	4'-Methyl-alpha-pyrrolidinohexanophenone 
Peak:m/z	Relative Intensity
55.05516	0.5
56.96560	0.3
57.03431	0.2
59.04985	0.3
63.93037	0.2
67.05496	0.6
69.07044	0.3
70.01084	0.4
70.01469	0.6
70.06580	0.2
79.05496	0.3
81.07053	0.6
84.08154	0.4
87.04458	0.8
87.08126	0.3
88.07632	0.3
91.05498	0.4
97.06538	0.4
98.20787	0.3
98.97590	0.8
105.07045	0.3
131.00148	0.4
149.01234	0.3
149.02299	0.3
156.03667	0.4
174.12779	0.8
177.00758	0.3
188.10661	0.4
200.14363	11.2
201.15070	0.5
202.12276	32.8
203.12816	0.3
204.13850	0.6
214.15970	0.3
217.14613	0.5
218.15442	0.4
228.17542	1.6
230.19072	3.0
238.09612	3.4
238.59790	0.4
244.17059	0.5
245.17790	0.5
260.20108	100.0
261.20395	0.5
270.70374	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.0532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24558	4.6
53.70542	4.3
53.73873	4.2
56.96554	5.9
57.03420	7.1
61.02906	4.0
67.56287	4.4
69.03431	7.2
71.51583	7.3
72.08125	6.6
73.02914	8.3
81.03410	7.0
84.08137	10.3
85.02908	10.5
86.09729	5.9
97.02908	5.9
98.97584	13.5
101.00871	4.8
104.10744	100.0
106.05074	4.8
112.03654	4.5
127.03938	7.0
138.05508	17.0
151.42949	4.6
162.03624	5.3
163.04376	8.8
172.04951	9.0
178.53630	6.7
218.05466	4.8
219.20695	4.6
229.03268	6.6
235.06636	8.1
236.02386	5.1
236.06804	8.6
237.06454	8.2
259.57764	9.0
260.05316	46.4
260.07816	5.8
261.05811	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	259.2059
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.02377	0.6
53.03931	1.1
55.01872	0.8
55.05276	0.6
55.05512	8.0
55.64810	0.5
57.07084	2.9
59.16530	0.6
65.03925	0.7
67.05176	0.9
67.05510	12.7
68.69042	0.5
69.03399	0.5
69.06732	0.7
69.07076	8.7
70.66865	0.5
71.04990	1.6
71.08618	0.9
71.53803	0.8
79.05502	12.9
79.05984	1.0
81.07058	12.9
83.04974	1.7
83.08631	5.1
83.11884	0.6
85.06537	1.4
91.05484	28.4
93.07054	12.9
95.04953	1.1
95.08604	10.9
97.06532	2.4
97.10191	1.2
99.08097	1.8
103.05453	1.8
105.03398	3.3
105.07036	61.2
107.08603	7.6
109.10172	3.2
111.08059	1.0
113.09609	0.7
115.05450	1.4
117.07020	28.9
119.08588	34.9
121.10138	7.6
123.08060	0.7
123.11718	1.0
123.98312	0.6
125.09599	0.9
128.06227	3.2
129.01813	2.0
129.07005	11.8
130.07773	1.6
131.08575	29.3
133.10136	32.9
135.08052	1.4
135.11737	3.6
139.11255	0.7
142.03247	0.9
142.07755	2.5
143.07495	1.0
143.08566	15.4
145.10124	27.5
147.08020	1.1
147.11690	22.5
149.09572	1.3
149.13268	1.3
156.09442	0.9
157.10139	11.6
157.12117	0.6
159.11697	43.1
161.13263	20.7
163.11220	1.7
163.14810	0.9
169.10158	0.8
171.07852	0.7
171.11700	18.0
173.13275	28.1
175.11218	1.3
175.14836	7.0
181.06488	1.4
185.11610	1.1
185.13261	18.1
187.14825	3.1
199.14833	13.4
213.16478	3.4
215.17949	2.4
217.15868	0.7
231.17378	1.3
231.21017	2.7
241.19527	29.5
259.11264	1.4
259.20578	100.0
260.20932	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09311	1.6
54.76245	1.6
55.01871	2.6
55.05510	13.1
57.07071	4.3
67.05504	12.3
69.03404	2.0
69.07072	34.8
70.65146	4.5
71.04997	29.7
79.05486	8.3
81.07066	22.6
83.04987	5.7
83.08629	9.4
85.06551	26.3
91.05494	12.1
93.07038	18.2
95.04963	4.2
95.08606	20.1
97.06519	4.9
105.03378	5.8
105.07037	29.7
106.71188	1.9
107.08608	19.8
109.05901	1.8
109.06514	11.1
109.10163	15.7
111.08076	16.5
115.05354	1.8
117.07020	7.0
119.08586	66.5
121.10139	13.4
123.08118	2.2
123.11707	24.3
125.09595	2.4
128.06210	2.4
129.01862	4.6
129.07047	2.3
131.08575	16.7
133.10138	40.0
135.08064	18.5
135.11676	6.2
137.09612	5.6
143.08580	5.4
144.09389	3.3
145.10136	36.2
147.11697	26.3
149.13286	2.5
156.09344	2.6
157.10155	11.7
159.11719	27.7
160.12537	4.2
161.09641	3.0
161.13263	41.9
163.11142	4.5
171.11679	17.9
172.12566	1.9
173.13258	9.9
175.14833	100.0
176.15620	5.8
177.12784	4.5
185.13266	15.7
188.98056	2.3
189.12762	5.7
189.16437	5.4
190.13553	2.1
191.14272	3.1
199.14838	7.3
201.16414	24.9
203.14354	7.6
215.18036	4.6
217.19452	2.3
228.42569	1.8
241.19525	17.7
259.11288	3.6
259.20596	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	258.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98634	0.3
56.96568	6.3
69.85357	0.7
71.95268	2.1
72.92777	0.2
98.97590	100.0
99.97933	0.1
100.97190	0.4
100.97994	0.4
116.98627	38.8
118.98271	0.2
118.99087	0.2
119.01915	0.2
134.99666	8.7
140.00195	1.0
153.00710	0.4
158.01277	0.4
174.97618	0.2
178.85721	0.1
181.97409	0.3
198.97583	0.3
216.98695	0.5
219.02005	0.3
234.99762	0.6
236.98566	0.2
239.50334	0.1
240.98680	3.2
253.99652	0.1
258.99777	49.9
260.00034	0.2
274.92093	0.1
277.00824	46.4
278.01062	0.4
279.01379	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03958	1.9
55.01864	2.0
55.05518	14.9
57.07083	2.9
67.05518	10.3
68.72853	2.1
69.03417	2.7
69.07069	40.6
71.05000	29.1
79.05479	8.3
81.07057	19.2
83.04984	6.2
83.08601	8.0
85.06549	27.5
91.05475	14.1
93.07054	20.6
95.04945	4.1
95.08605	23.0
97.06535	5.6
99.74338	2.0
105.07039	30.1
105.92371	1.9
107.08597	27.7
109.06518	12.1
109.10178	20.6
111.08092	19.3
112.82099	1.8
115.05445	3.1
117.07013	8.7
119.08591	67.5
120.09309	2.0
121.10166	14.5
123.08122	2.9
123.11710	30.8
128.06177	3.4
129.06984	3.2
131.08569	15.6
133.10139	42.1
135.08054	26.4
135.11673	6.9
137.09628	4.7
138.11510	1.9
143.08575	8.1
145.10123	36.9
147.11690	20.4
149.09596	2.7
157.10097	15.4
159.11687	35.6
159.36365	1.9
160.12549	4.0
161.09589	2.9
161.13275	40.8
163.11185	4.0
170.10912	2.4
171.11723	19.0
173.13249	12.1
175.11217	3.6
175.14835	100.0
176.15611	8.5
177.12822	5.1
185.13248	18.8
189.12729	7.5
189.16351	5.4
190.13504	2.9
191.14384	2.2
199.14886	4.4
201.16379	29.5
203.14297	10.8
215.17952	5.7
217.19502	6.1
241.19482	16.0
259.20578	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	258.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	1.1
55.05504	3.9
57.03427	1.2
57.07072	4.7
62.06080	3.7
67.05511	5.8
69.07065	3.1
69.58405	6.0
71.04990	1.8
71.08615	1.3
79.05519	6.9
81.03408	1.5
81.07061	8.7
83.04987	1.3
83.08622	3.4
84.64324	1.1
85.10195	1.6
89.29197	1.1
91.05479	2.7
92.24238	1.2
92.54849	1.1
93.07064	11.2
95.04948	2.4
95.08610	12.9
96.36922	1.1
97.06519	1.7
99.04426	2.2
104.10740	1.1
105.07056	3.3
107.04967	2.1
107.08599	8.4
111.04462	1.2
117.07030	3.3
119.08585	3.2
121.06506	1.9
121.10143	4.2
135.11708	14.6
145.10146	11.8
146.10484	1.9
155.75667	1.1
163.11194	25.4
181.12221	5.7
184.20642	4.9
202.21712	19.9
209.11638	1.8
227.12796	100.0
230.24919	1.4
234.52214	1.1
240.23592	1.3
241.14377	10.1
249.15363	1.2
258.13916	1.3
258.19470	3.0
258.22241	2.8
258.27969	39.6
271.72037	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.01870	0.5
55.05510	2.7
56.05027	2.3
56.96567	10.5
56.96848	0.6
57.03432	1.4
58.06603	11.6
60.08170	0.6
61.02927	4.8
69.03430	3.2
69.07069	0.7
69.94146	1.5
70.06598	0.9
70.98129	1.4
71.04992	0.7
72.08156	0.8
73.02924	2.1
73.06552	2.4
74.06087	0.5
76.38261	0.4
81.03422	1.6
82.06607	0.6
83.04995	0.5
83.06129	0.5
83.97657	0.6
84.04509	18.7
84.08146	54.1
84.96030	0.4
85.02909	5.9
86.03231	0.4
87.04490	0.7
91.03951	0.3
95.04979	0.4
96.04514	0.5
96.08147	0.8
97.02892	4.5
97.06570	0.6
98.03141	0.7
98.97588	13.0
99.04479	0.9
99.97130	0.4
99.97897	0.5
100.02235	0.3
100.99147	1.0
101.00865	0.4
101.02406	0.4
101.10782	2.0
102.03374	0.5
102.05496	0.4
102.96903	0.4
107.03648	0.7
107.04965	0.5
109.02902	1.3
110.01322	1.0
110.03105	0.4
110.07199	0.6
110.97591	2.2
111.09211	1.5
112.05108	0.8
112.07599	1.4
112.29141	0.4
112.99190	0.9
113.00886	0.4
114.96919	0.5
115.00704	1.6
116.03133	0.7
116.98633	3.5
117.03886	0.4
118.92139	0.3
119.01849	1.6
119.03615	0.4
122.03127	0.4
123.03793	0.5
124.02856	0.5
124.07619	0.5
124.99158	0.6
125.03607	0.7
126.04386	0.5
126.06615	0.5
127.03942	1.6
128.00212	3.2
128.02351	1.0
128.98642	1.6
129.02237	0.5
129.10245	100.0
130.05002	5.3
131.00160	0.7
131.01881	0.3
131.03674	0.4
132.04376	0.7
133.01767	0.9
134.99673	0.5
141.03143	0.4
142.08623	0.4
143.00140	1.1
145.01649	0.5
146.01274	4.5
146.02460	0.7
146.04012	1.9
146.99615	0.7
147.03284	1.2
147.04375	0.8
155.04652	16.5
155.54800	0.6
155.99657	0.8
156.03442	0.5
156.53639	0.4
158.99687	3.9
159.03345	1.9
161.01155	0.9
161.04675	3.4
164.02299	2.9
164.05199	3.9
167.11763	1.0
168.03577	1.5
168.05368	2.7
169.04379	0.5
170.05190	5.8
170.99699	0.6
173.04913	0.6
174.00714	1.0
174.99138	0.8
177.00755	1.7
177.04295	3.9
177.05971	3.2
182.03426	0.8
186.04633	0.7
186.06531	1.5
189.00728	0.6
189.04251	0.6
191.05823	0.5
193.00241	0.8
194.12909	3.9
195.05537	0.8
195.11316	4.7
197.03813	0.5
200.05937	0.6
201.00719	0.8
204.02928	0.9
204.05469	0.4
205.05409	0.9
207.05270	0.5
210.04611	0.5
212.03796	0.5
212.13922	0.5
213.03406	0.5
213.05209	0.8
216.03516	0.5
217.00153	0.8
218.06955	1.8
219.01779	1.2
219.05197	4.8
222.12337	0.6
224.12885	0.4
227.06781	0.5
228.05446	1.1
233.03145	0.4
234.98978	1.0
235.01219	0.9
237.02785	0.8
240.13446	14.5
240.20549	0.7
241.11833	0.4
249.06168	4.3
249.08063	0.5
253.07782	0.4
258.06448	1.7
258.08649	7.5
258.14520	10.6
258.17160	0.8
258.58801	0.5
269.05484	0.6
276.07571	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	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03938	0.7
55.01866	1.3
55.05514	8.4
57.03432	2.1
57.07071	2.4
60.08179	3.8
61.08493	0.7
65.03954	1.2
67.05511	20.8
68.66259	0.6
69.03438	0.6
69.07080	3.9
69.70934	3.0
71.04996	1.0
71.08652	0.6
79.05496	6.3
81.07061	9.9
83.04986	1.2
83.08623	2.2
84.24358	0.7
84.98593	0.6
85.06536	1.3
87.25378	0.6
91.05490	12.9
93.07048	5.3
95.04979	1.2
95.08620	7.7
97.06541	0.7
97.10173	1.3
105.07035	13.9
107.04956	0.8
107.08601	3.9
109.06518	0.8
109.10169	4.7
111.08040	0.6
114.94054	0.6
115.05457	2.2
116.06231	1.4
117.07024	18.2
119.04974	1.4
119.08585	6.0
121.06481	1.1
121.10172	3.6
123.07990	0.7
123.11718	0.6
125.09621	1.2
128.06244	5.3
129.07016	11.0
130.07808	4.4
131.08577	40.3
133.06534	2.7
133.10147	5.9
134.05951	0.6
135.08043	1.5
135.11713	1.1
137.09621	1.3
141.06956	4.8
142.07803	3.0
143.08572	21.5
144.09340	0.7
145.10132	100.0
147.08047	1.5
147.11687	3.3
149.09561	0.8
149.13269	0.7
153.07083	0.6
154.07808	2.0
155.08556	6.6
156.09383	0.9
157.10135	12.6
158.07355	0.6
159.08073	2.2
159.11705	19.2
161.09615	1.9
161.13176	1.1
163.11217	1.0
167.08591	1.2
168.09413	1.0
169.10141	10.7
171.11708	22.1
173.09605	1.7
173.13290	10.4
175.11252	2.6
181.10144	0.9
182.10913	1.5
183.11705	13.6
185.13249	3.3
187.09738	0.6
187.11147	3.1
187.14891	1.2
189.12544	0.8
197.13248	12.2
199.14848	1.8
201.12762	1.6
210.14102	1.1
211.14839	3.1
213.16415	2.8
215.14375	1.5
215.17801	0.9
229.19539	4.6
239.17963	24.5
242.09477	0.9
257.11755	6.9
257.19025	82.0
257.30341	27.2
258.19354	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03940	0.9
55.01871	1.5
55.05509	5.6
55.34838	0.8
57.03427	2.8
57.07059	1.6
60.32318	0.6
65.03925	0.9
67.05509	14.3
69.07072	5.3
70.12446	3.0
71.04977	2.2
72.08140	0.6
77.86787	0.8
79.05495	8.6
81.07063	13.2
83.04984	1.7
83.08626	3.4
85.06539	2.2
91.05484	13.3
93.07046	7.4
95.04987	1.5
95.08606	11.7
97.06506	2.4
97.10181	0.8
99.08099	0.8
102.01105	0.6
103.05436	0.8
105.07032	16.1
107.04960	1.7
107.08594	6.6
109.06517	2.4
109.10167	5.7
111.04443	0.8
111.08078	1.2
115.05478	1.7
116.06275	1.7
117.07022	23.2
119.04952	2.1
119.08592	11.8
121.06489	2.8
121.10146	7.9
123.08023	1.3
128.06258	3.3
129.07001	10.2
130.07784	2.0
131.08572	41.1
133.06502	5.2
133.10130	9.3
135.08069	4.1
135.11671	2.3
137.05971	1.4
137.09601	1.7
141.06964	4.7
142.07773	3.8
143.08562	15.6
143.09692	1.0
144.09349	1.6
145.06503	2.8
145.10130	52.8
147.08061	2.5
147.11737	4.2
149.09610	2.4
149.13214	0.9
154.07777	1.6
155.08568	7.4
156.09370	1.5
157.10133	21.9
158.10907	1.6
159.08078	2.8
159.11705	33.0
161.09630	3.7
161.13274	2.3
163.11189	2.1
167.08472	1.3
168.09332	2.4
169.10149	12.3
171.11699	18.6
173.09648	2.9
173.13281	15.1
174.14073	0.9
175.11198	4.2
175.14830	1.1
177.12857	1.0
181.06609	0.8
181.10094	1.0
182.10887	1.2
183.11703	14.8
184.12462	1.2
185.13289	6.0
187.11172	5.2
187.14801	2.3
189.12688	1.4
195.11816	0.9
197.09625	1.1
197.13280	12.4
199.07524	0.8
199.14763	5.6
201.12724	4.6
209.13284	1.0
210.06746	0.8
210.14011	0.9
211.07597	0.8
211.14813	2.8
213.16393	5.3
215.14339	2.6
215.17987	3.2
225.09048	1.1
226.09970	1.1
229.15840	0.9
229.19464	3.7
239.17950	27.6
242.09309	1.4
257.11734	16.2
257.19016	100.0
257.26608	2.5
258.27963	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03943	1.0
55.01871	1.4
55.05500	3.5
57.07095	1.6
67.05507	6.1
69.07069	4.5
69.58598	0.6
70.06599	0.9
70.32191	0.8
70.69154	0.9
70.69476	1.5
71.04986	4.1
72.08149	0.9
79.05493	7.3
81.07052	6.2
83.05005	1.1
83.08621	2.3
85.06523	2.8
88.07631	1.4
91.05489	9.7
93.07051	18.2
95.04984	4.0
95.08614	8.6
95.78561	0.8
97.06545	1.0
99.08099	1.0
102.09188	1.0
103.05453	1.3
105.07034	23.0
107.08601	15.2
109.06519	6.9
109.10168	11.7
111.08081	2.6
117.07019	6.6
119.08585	20.3
121.10149	73.1
123.08074	4.1
123.11681	1.4
125.09644	0.8
128.06238	2.5
129.07010	4.0
130.07791	1.3
131.08568	12.0
133.07617	1.7
133.10126	11.0
135.08066	21.8
135.11705	4.4
137.09648	8.1
141.06990	1.7
142.07797	5.6
143.07498	1.2
143.08566	16.4
144.09331	2.1
145.09044	1.4
145.10135	18.2
147.08046	1.2
147.11693	3.2
149.09630	4.8
151.11168	2.1
153.07094	1.1
154.07765	1.4
155.08553	3.7
156.09357	4.2
157.10132	19.5
158.10928	3.7
159.08075	1.2
159.11700	19.5
161.09636	1.7
161.13239	1.5
163.11194	4.0
168.09341	2.4
169.10146	9.1
170.10968	1.4
171.11687	11.7
173.09612	1.9
173.13283	23.3
174.14014	2.2
175.11169	1.5
175.14795	1.3
177.12743	2.1
182.10934	2.4
183.11694	9.0
184.12462	3.0
185.13210	2.3
187.11191	4.8
187.14842	4.1
188.12138	0.9
189.12749	2.3
197.13274	8.9
199.14830	31.6
201.12762	6.6
209.13257	1.7
210.14104	0.8
211.14839	0.9
213.16399	11.4
214.17146	2.4
215.14333	2.6
215.17967	7.3
224.15543	1.7
233.38863	0.7
239.17970	14.0
257.19022	100.0
257.26575	11.9
258.27957	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	257.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
55.01846	1.3
55.05527	5.1
57.03442	1.2
57.07061	2.5
58.27040	0.9
59.05008	1.3
65.91408	1.1
67.05505	11.7
69.03437	1.5
69.07068	4.9
70.42944	3.6
71.04978	3.8
79.05505	10.2
81.07054	9.7
83.04983	1.5
83.08611	2.3
85.06538	2.0
91.05487	13.4
93.07047	20.2
95.04982	5.1
95.08622	13.2
97.06541	2.2
103.05496	1.4
105.07040	29.1
107.08601	18.6
109.06535	6.5
109.10162	12.6
111.08083	4.2
115.05471	1.6
117.07020	10.0
119.08594	20.3
121.10155	89.7
123.08073	3.8
123.11687	2.0
128.06224	2.9
129.07019	5.8
130.07791	1.9
131.08575	18.8
133.07600	2.0
133.10138	10.9
135.07111	2.0
135.08063	27.7
135.11700	3.7
137.09592	5.4
137.13225	1.7
141.06987	3.0
142.07805	3.8
143.08575	19.7
144.09361	1.7
145.10130	20.5
147.11684	4.0
149.09624	4.3
151.11180	1.8
155.08537	4.3
156.09344	2.4
157.10126	18.6
158.10887	2.9
159.11702	14.4
161.09621	1.3
161.13316	2.3
161.72694	1.1
163.11192	4.6
163.21210	1.1
165.94960	1.0
167.08641	1.9
168.09360	1.8
169.10149	11.7
170.10883	1.3
171.11691	9.7
173.09604	1.9
173.13274	16.3
175.11195	2.7
177.12756	2.4
183.11720	7.1
184.12473	2.7
185.13283	2.4
187.11110	2.0
187.14908	1.5
189.12785	2.0
197.13330	8.1
199.12987	1.9
199.14833	35.7
201.12744	6.1
209.13019	1.6
210.14043	2.2
213.16371	10.2
215.14331	2.4
215.18008	6.2
229.06056	1.4
229.19516	1.4
239.17984	14.6
257.19028	100.0
257.26657	5.9
258.19217	1.2
258.27960	3.0
276.05746	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
55.01865	2.6
55.05515	18.3
57.03430	6.2
57.07064	2.5
66.56384	2.0
67.05181	2.4
67.05513	30.0
69.03445	9.3
69.07073	20.7
70.00874	9.4
70.01157	3.0
71.04987	9.6
78.66870	1.8
79.05497	18.8
81.07060	100.0
83.04967	3.0
83.08624	12.7
85.06548	89.1
87.42458	2.1
91.05492	10.2
93.07044	46.0
95.04984	4.2
95.08614	46.7
97.06533	15.3
97.10169	5.2
99.08097	18.0
105.07032	23.1
107.08599	30.8
109.06519	6.9
109.10161	19.4
111.08081	10.0
113.06007	2.8
119.08593	30.5
121.06530	10.1
121.10149	25.1
123.08065	5.4
123.11713	46.8
125.09615	2.9
129.05469	6.3
133.10136	13.6
135.11679	6.4
139.07538	31.4
145.10129	3.3
147.08026	2.3
147.11668	8.0
149.13266	3.1
151.14851	4.1
155.07072	2.9
157.08636	21.9
159.11708	5.6
161.09653	2.3
161.11983	4.0
161.13271	63.6
161.14632	4.2
165.09106	2.8
165.12691	3.5
175.14917	10.8
176.46996	2.1
177.16379	15.8
179.14349	10.9
182.35965	2.0
185.13264	4.1
193.15895	5.4
195.13667	2.0
197.13432	1.9
197.15364	8.6
203.14297	15.2
221.15384	37.5
239.16397	21.2
257.12781	6.2
257.17432	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	257.0809
Annotation	Isoliquiritigenin
Peak:m/z	Relative Intensity
51.22564	0.4
51.25241	0.4
57.07097	0.4
57.53259	0.4
60.04947	0.4
64.86278	0.4
65.03970	0.7
67.05501	1.7
68.99791	1.8
69.03439	0.5
69.07087	0.6
71.04988	0.5
71.18327	0.8
81.03418	5.6
81.07050	1.1
86.39799	0.4
91.05486	5.6
93.06988	0.4
95.04995	2.1
95.08590	0.5
96.02119	0.7
105.07036	1.0
107.04964	1.7
109.02905	1.0
109.10184	1.3
111.04438	1.6
115.34454	0.4
117.03387	3.9
117.07030	0.6
119.04950	14.6
120.89011	0.4
121.10147	0.6
123.04430	3.1
127.03931	1.0
127.72282	0.4
129.07051	0.5
131.08565	0.9
135.04376	0.9
137.02345	100.0
145.10112	1.7
147.04417	35.6
155.03403	1.7
155.08646	0.9
157.10138	0.8
159.08055	0.4
159.11659	0.7
163.03896	2.6
165.06952	1.9
169.06541	0.5
169.10168	0.4
171.08061	0.7
171.11699	0.5
173.13290	0.5
181.06477	0.6
183.08101	1.4
183.11714	0.7
187.07484	0.6
197.06036	0.5
211.07594	5.3
215.07036	0.5
215.71828	0.4
225.09029	0.4
239.07025	5.8
242.05797	2.9
257.08099	94.6
257.18954	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	256.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.01883	2.8
55.05502	1.3
56.96578	2.8
57.03439	3.4
58.06598	2.7
58.99895	0.3
59.05003	0.7
61.02933	2.6
64.51234	0.3
68.05035	0.3
69.03141	0.3
69.03433	2.9
70.06593	1.8
71.01356	0.5
71.04978	0.8
71.52034	0.5
71.95261	0.5
72.08175	2.2
73.02918	2.3
76.41447	0.3
78.42180	0.3
80.02020	0.3
80.05025	0.5
80.08518	0.3
81.03410	1.1
83.06104	0.4
85.02914	5.7
86.06057	0.7
86.09712	0.6
87.04472	1.4
88.07641	6.5
91.03934	0.5
94.06573	0.4
96.02475	0.3
96.04380	0.3
97.01432	0.3
97.02916	2.8
98.06064	7.1
98.09715	0.5
98.97594	3.9
99.09199	0.7
101.00866	1.0
101.02366	1.1
103.03937	0.7
109.02877	0.9
110.07161	0.4
110.97562	0.7
112.07608	2.3
113.00925	0.5
114.05493	0.5
115.02415	0.6
115.03930	2.7
115.08708	0.8
115.52975	0.5
116.98618	0.9
119.01895	1.0
122.06041	0.7
123.05571	2.0
124.03967	32.3
124.05881	2.4
124.07581	0.7
127.03958	1.7
127.04848	0.4
127.07838	0.6
127.08692	6.2
128.98608	0.6
129.01842	1.9
130.08647	2.2
131.00121	0.4
131.01945	0.4
131.05524	0.7
133.03378	0.5
133.04965	1.5
136.07553	0.4
138.05518	0.4
142.08621	2.3
143.01944	0.3
143.03392	0.9
144.54968	0.3
144.98100	0.4
145.03468	0.5
145.04944	1.2
147.05038	0.5
150.09114	1.7
151.08678	12.6
151.09894	0.7
152.10716	0.6
153.05743	1.6
153.55650	0.8
155.08157	1.2
157.01350	1.1
157.03450	0.5
158.99673	0.5
159.55507	0.5
161.03064	0.6
161.04497	1.5
161.06635	0.9
161.54457	0.4
162.06259	1.0
162.99214	0.4
163.02791	0.5
167.11749	0.4
168.10213	0.4
169.09743	10.8
171.02896	0.4
172.94461	0.4
175.05942	2.1
178.04941	0.5
184.06329	0.6
185.02907	0.4
187.04408	0.3
189.03947	3.7
199.14429	17.7
203.03949	0.4
203.05585	1.8
207.05083	0.5
211.14449	1.8
219.08405	0.4
221.06718	0.5
221.16541	0.4
228.17070	0.4
233.01424	0.5
238.05063	0.6
238.19255	0.9
248.31998	0.4
256.03247	1.8
256.16580	100.0
274.04053	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.5
55.05509	1.4
56.05052	0.7
56.96565	2.8
57.03442	15.4
58.06586	1.0
58.99874	0.8
59.04994	3.4
59.98828	0.6
61.02928	7.7
69.03437	5.8
69.59654	1.6
69.60062	2.4
70.06601	1.6
70.98129	0.6
71.01350	4.3
71.04991	4.0
73.02926	10.3
75.04484	1.4
80.05010	1.9
81.03417	2.0
82.01462	1.0
82.99859	1.0
83.01338	1.7
83.04984	0.9
83.06129	1.1
84.96017	0.6
85.02909	14.5
85.06534	0.7
86.03250	0.6
86.06056	0.9
87.00809	0.9
87.04471	6.2
88.07636	3.1
89.02399	3.2
91.03960	0.6
94.06575	1.0
95.01324	1.7
95.06084	0.9
97.01405	1.5
97.02885	5.8
98.06059	4.8
98.97592	3.1
99.02965	1.0
99.04483	1.8
100.02501	2.7
101.00888	5.0
101.02386	12.7
102.53130	0.9
103.03955	1.8
109.02888	1.4
110.07178	1.4
110.97538	0.7
111.00813	1.5
112.07598	1.9
113.00872	0.7
113.02385	1.3
114.05527	1.1
115.02499	3.8
115.03936	16.1
116.98666	0.8
117.03998	3.6
119.01930	8.7
119.03382	0.8
122.01332	0.7
123.05555	5.3
124.03962	100.0
124.05834	5.9
127.02454	1.7
127.03925	3.4
127.04984	0.7
127.08682	3.3
129.01852	18.0
130.08647	2.4
131.01927	2.2
133.03471	2.4
133.04962	6.6
135.05022	1.5
138.05518	14.4
140.05589	1.6
142.03499	3.5
142.08653	1.3
143.01913	4.3
143.03391	9.2
145.03461	4.4
145.04990	2.9
147.01370	0.8
147.03065	0.8
149.03040	0.7
151.08679	6.7
155.01878	0.9
155.08171	3.5
157.01341	12.4
157.03371	1.3
158.06612	2.3
159.01369	1.0
159.05148	0.7
160.04591	1.1
161.02986	4.5
161.04472	16.0
161.65948	0.7
162.99194	0.8
163.04555	1.1
166.03500	0.7
168.05135	1.7
169.09727	5.0
171.01416	1.9
171.02917	5.5
173.03035	0.9
174.55232	0.6
174.99106	1.0
175.04480	1.0
177.02399	0.8
184.04578	3.4
186.04472	1.0
186.06093	1.3
187.00888	1.0
187.02637	0.8
187.04543	1.4
189.02472	2.3
189.03951	41.8
191.05751	1.1
197.03069	1.0
199.14458	8.1
200.04095	1.0
203.02364	0.7
203.05518	15.0
205.02014	1.3
207.03352	0.8
207.05077	1.0
207.72827	0.8
210.02477	1.4
210.12407	1.1
211.14391	1.4
212.04048	3.2
215.00385	1.6
215.04022	1.1
221.06679	5.4
224.07707	1.1
228.03571	0.7
228.10387	0.7
230.04945	0.8
233.01453	5.5
233.05127	1.0
245.05136	0.9
251.02512	6.8
256.03015	9.1
256.08453	4.9
256.12949	2.6
256.16580	47.1
256.26425	1.1
274.04132	4.6
274.06949	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.2
55.05518	0.7
56.96570	1.4
57.03444	6.1
58.06609	0.9
59.05001	0.8
61.02932	2.6
66.73552	0.2
69.03441	3.0
69.82497	0.4
69.82908	0.9
70.06596	1.1
70.98132	0.4
71.01350	1.4
71.04995	0.9
72.08163	1.0
73.02924	4.3
75.04478	0.4
78.03455	0.6
78.94556	0.2
79.04224	0.3
80.05032	1.5
81.03435	0.6
83.01340	0.2
83.06114	0.6
84.08179	0.4
85.02914	6.9
86.06085	0.5
87.04472	1.9
88.07630	3.7
89.02390	0.3
91.03954	0.4
94.06579	1.1
95.06115	0.5
96.04518	0.5
97.02357	0.3
97.02906	2.6
97.07687	0.3
98.05431	0.3
98.06065	4.2
98.97583	1.6
99.04465	0.3
99.09227	0.6
100.99115	0.2
101.00872	0.4
101.02395	1.7
103.03944	0.7
107.76727	0.2
109.02892	0.7
110.07172	0.4
110.97596	0.3
111.00850	0.2
112.07584	1.3
112.99181	0.3
113.02397	0.2
114.05540	1.1
115.02532	0.4
115.03936	4.6
115.08681	0.3
116.98622	0.6
117.03978	0.3
119.01888	0.5
122.06039	0.4
123.05567	0.5
124.03965	100.0
126.09185	0.2
127.03910	0.8
127.04990	0.4
127.08694	3.1
128.98579	0.4
129.01842	2.8
130.08641	1.4
133.04979	5.4
137.49423	0.2
138.05501	0.8
140.98695	0.2
142.08669	1.2
143.00116	0.3
143.03375	1.3
145.01711	0.3
145.03493	0.2
145.04956	1.3
146.05072	0.2
147.28455	0.2
150.09131	0.7
151.08679	6.9
153.05782	1.0
154.96458	0.3
155.08177	3.6
157.01344	1.7
158.99638	0.4
161.03145	0.4
161.04454	1.8
161.06641	0.3
161.54434	0.5
163.04391	0.3
163.06105	0.4
168.55266	0.4
169.09741	6.2
171.02974	1.0
175.05820	0.6
178.04939	0.3
186.99240	0.2
189.02376	0.2
189.03963	5.6
196.07321	0.2
199.14441	8.7
199.16312	0.4
203.05547	2.2
211.14429	1.0
219.01720	0.5
221.06581	0.6
233.01471	0.4
233.03612	0.2
235.06593	0.3
238.19215	0.3
251.02579	0.3
256.07733	1.2
256.16580	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.232
Annotation	Actinopolysporin C
Peak:m/z	Relative Intensity
55.01869	3.7
55.03835	2.3
55.05267	3.9
55.05514	55.2
57.03423	6.6
57.07079	71.5
67.05506	36.1
69.07071	100.0
69.23605	7.6
69.24022	13.7
71.04994	4.7
71.08632	39.8
73.06569	4.7
79.05502	30.4
81.07064	60.9
81.51102	3.7
83.04976	10.0
83.08145	4.5
83.08623	70.5
85.06553	4.9
85.09707	3.1
85.10165	19.0
86.73116	2.2
90.10719	2.6
91.04955	2.0
91.05478	9.6
93.07049	39.7
95.08613	47.0
97.06536	25.0
97.10173	43.4
98.98475	29.1
99.08069	3.6
101.06029	2.9
105.07009	3.1
107.08605	40.5
109.10159	28.4
111.04427	3.7
111.08096	12.9
111.11722	10.8
113.09692	3.0
115.07603	5.9
115.99939	2.3
117.07018	2.8
119.08572	4.9
121.10147	36.4
123.11700	14.0
125.09624	18.2
128.06281	2.5
129.07019	3.3
129.09103	7.6
131.08549	5.6
133.10117	2.5
135.11707	40.9
137.13257	9.4
139.11171	17.0
141.12831	2.7
143.08566	6.6
143.10614	4.6
145.06392	2.5
145.10185	5.8
149.13263	27.8
153.12717	16.3
157.10138	3.8
157.12238	3.7
163.14830	15.5
167.14426	11.4
171.13795	2.8
177.16400	8.9
181.10202	2.4
181.12242	3.7
181.15897	6.8
187.11166	2.4
195.17467	3.2
209.11768	6.8
213.12958	2.9
219.21074	50.9
227.17960	2.9
237.11372	3.3
237.16409	3.3
237.22124	29.5
255.06619	3.3
255.17619	31.3
255.23227	3.0
255.27803	2.9
256.29993	8.8
267.82599	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	255.1593
Annotation	Gliocladic acid
Peak:m/z	Relative Intensity
53.03939	3.9
55.01621	1.5
55.01869	9.4
55.05268	2.0
55.05513	20.8
57.03442	40.6
57.07060	3.9
60.94382	1.4
65.03954	2.6
67.05511	61.9
67.05875	3.2
69.03426	2.4
69.07075	21.1
71.01353	6.8
71.04998	8.6
71.08634	2.2
71.17232	2.9
79.02658	1.3
79.05500	55.8
81.03407	5.3
81.07066	36.6
83.04987	16.9
83.08627	7.8
85.06525	6.1
87.04463	5.5
91.05486	22.7
93.07048	62.4
95.04962	5.2
95.08604	14.9
97.06540	38.8
97.10175	13.2
98.97598	1.5
98.98470	12.5
99.04474	2.2
99.08102	2.6
103.43969	1.3
105.07063	6.8
107.04961	3.8
107.08599	45.3
109.06535	2.5
109.10163	8.1
111.04441	4.1
111.08068	6.2
111.11732	2.3
113.06013	3.9
115.03860	1.7
117.07019	6.6
119.04936	3.7
119.08579	8.9
121.06511	5.3
121.10155	12.3
123.08060	2.6
123.11666	3.2
125.06002	16.5
125.09636	13.5
131.08589	3.2
133.10123	5.3
135.08043	5.2
135.11703	76.9
137.02383	6.5
137.05980	1.8
137.09593	3.6
139.07544	20.3
143.08568	1.9
145.02866	4.6
145.10133	15.4
147.11736	1.9
149.09653	1.9
149.13271	2.0
151.11160	1.4
153.05486	2.5
153.12752	3.4
155.03413	1.6
155.07021	2.3
157.10095	2.0
159.11678	4.0
163.07518	2.4
163.11211	13.7
167.07043	11.1
173.13216	2.4
177.12831	2.3
181.08694	1.3
181.12245	21.4
191.14336	13.0
199.13351	1.8
201.12767	2.9
213.05708	1.4
219.13829	18.1
237.14861	5.5
237.18481	1.5
253.57489	1.5
255.06549	100.0
255.15878	55.1
256.06650	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1593
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
53.03951	0.5
53.34189	0.4
55.05514	4.1
57.03442	0.5
57.07063	0.7
67.05509	15.3
69.03432	0.9
69.07078	3.6
70.86147	0.8
71.05005	3.1
79.05476	3.7
81.07061	10.1
83.04977	1.1
83.08630	1.0
85.06541	2.0
91.05476	1.9
93.07045	8.7
95.04978	3.0
95.08611	100.0
96.08974	0.4
97.06531	6.0
97.10152	0.6
98.97597	0.6
98.98457	2.2
99.04472	2.7
99.08105	0.5
105.07043	3.5
107.04945	0.6
107.08607	2.5
109.06515	1.6
109.10146	0.9
111.04465	0.6
111.08074	0.7
113.06002	2.1
113.09660	1.5
115.07610	0.4
117.07018	0.9
117.89983	0.4
119.08574	2.2
121.06503	1.0
121.10161	4.2
123.08073	20.5
125.05984	1.8
125.09705	0.4
131.08560	1.5
133.10144	1.4
135.08066	0.6
135.11739	0.7
137.05991	0.7
137.09647	0.8
139.07600	0.5
141.05490	1.4
141.09120	3.2
143.07095	1.2
145.10159	1.1
147.11720	0.8
149.08075	0.4
149.13222	2.4
155.07034	0.5
157.10126	0.7
159.06561	0.6
159.10199	1.7
159.11729	4.5
163.07643	0.4
165.14812	0.5
167.14346	0.5
173.13264	2.9
177.12756	3.1
183.11722	0.4
191.14294	2.2
195.13811	2.3
201.12831	1.3
207.13892	0.6
210.14977	1.3
211.15245	7.2
211.17044	0.8
214.08685	0.5
219.13823	4.3
237.14870	21.9
255.06610	3.2
255.10104	0.9
255.15958	12.0
255.17990	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	255.1591
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
53.03937	0.6
55.01864	1.1
55.05515	3.4
57.07056	0.6
67.05505	15.3
69.03427	1.8
69.07059	4.3
70.84125	1.0
70.84478	0.5
71.04991	3.9
79.05492	4.1
81.03432	1.0
81.07053	11.1
83.04974	1.8
83.08604	0.8
84.08152	0.7
85.02914	0.5
85.06551	1.9
91.05470	3.4
93.07043	9.3
95.04985	3.3
95.08606	100.0
97.06528	7.0
97.10175	0.5
98.98471	3.8
99.04440	2.5
99.08076	0.9
105.07028	3.6
107.04915	0.6
107.08593	2.8
109.06525	2.1
109.10173	1.9
111.08076	0.9
113.05994	1.3
113.09645	1.6
117.06995	1.1
119.08591	2.9
121.06502	1.1
121.10141	4.4
123.04472	0.8
123.05612	0.7
123.08060	19.8
125.05987	1.4
125.09610	0.8
129.06975	0.5
131.08559	2.2
133.06535	0.5
133.10172	1.6
135.08058	0.9
135.11685	0.5
137.02377	0.8
137.09596	0.9
139.07532	0.5
139.11209	0.6
140.07104	0.7
141.05482	1.8
141.07390	0.8
141.09097	3.8
143.07060	1.7
145.10100	1.2
147.11703	1.4
148.98328	0.5
149.13251	2.3
155.07071	0.8
155.08536	0.5
157.10187	1.0
159.10168	1.2
159.11710	5.4
161.09596	0.5
161.13252	0.5
173.13220	2.6
177.12740	2.9
183.11684	0.5
191.14311	1.6
195.13779	2.6
195.91757	0.4
197.06000	0.6
199.07898	0.4
201.12703	1.3
209.11700	0.5
219.13791	5.8
219.17374	0.7
237.14847	21.9
237.18654	0.9
255.06477	9.0
255.10246	1.1
255.15955	11.1
255.18109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.2
51.59526	1.1
53.03933	3.9
55.01857	4.6
55.05516	21.8
57.03441	41.1
57.07056	4.2
65.03918	2.6
66.85651	1.1
67.05508	65.5
68.99761	2.1
69.03411	2.8
69.07075	25.4
69.27750	8.3
71.01353	6.4
71.04995	10.5
71.08602	2.4
72.08143	1.0
74.02217	1.1
79.05499	54.6
81.03409	6.4
81.07061	41.8
83.04990	16.4
83.08623	7.8
85.02928	2.6
85.06554	8.7
91.05482	23.2
93.07049	72.8
95.04973	5.8
95.08077	1.5
95.08616	17.5
97.06535	20.9
97.10178	15.0
98.20715	2.4
98.24432	1.0
98.97552	1.2
98.97819	1.2
98.98470	14.9
99.04439	3.9
99.08051	3.4
105.07027	8.6
107.04926	3.3
107.08601	44.9
109.06509	3.3
109.10160	12.9
110.28266	1.1
111.04386	1.2
111.08099	6.2
111.11694	1.2
117.07005	8.3
119.08582	11.4
121.06477	2.8
121.10126	14.0
122.18615	1.3
123.08033	1.6
123.11689	4.4
125.09582	4.4
127.07541	1.2
128.06206	1.2
131.04903	2.9
133.10147	6.7
135.08031	2.9
135.11699	100.0
137.09552	3.5
143.08549	2.3
145.10124	16.1
149.13229	2.7
153.12675	3.1
157.10085	1.8
159.11656	3.2
161.05995	1.2
161.13226	1.7
163.10045	1.4
163.11197	14.8
167.07092	1.3
167.08447	1.1
171.04431	10.0
173.13191	2.1
177.16327	2.5
181.12251	23.4
184.05185	1.7
195.08014	1.0
197.13263	1.0
199.07387	1.6
199.13254	1.4
201.16287	1.5
212.04681	28.6
219.13756	2.0
219.17348	3.4
219.20903	1.2
223.07442	1.8
227.07034	59.8
227.11674	3.7
237.18472	2.7
237.22018	1.4
238.17953	1.3
240.08977	1.3
255.06535	52.4
255.10359	7.2
255.15833	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	255.159
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03924	5.5
55.01847	4.4
55.05512	31.2
57.03437	47.2
57.07052	5.1
59.06121	1.2
67.05507	81.6
69.03410	2.7
69.07068	30.0
71.01334	5.4
71.04990	8.5
71.53627	1.9
72.17065	1.5
79.05495	70.7
81.03429	9.3
81.07059	44.1
83.04979	23.0
83.08617	8.3
85.02912	1.4
85.06544	10.0
88.90106	1.2
91.05480	28.2
91.06364	1.3
93.03252	1.1
93.07047	83.2
93.17034	1.3
95.04971	6.9
95.08602	14.1
97.05945	1.4
97.06531	23.2
97.10159	14.4
98.66143	1.5
98.98471	8.1
99.04443	1.5
99.08052	5.3
105.04480	1.8
105.07034	7.8
107.04929	4.0
107.08594	58.2
109.06479	4.1
109.10165	10.9
111.08093	7.0
113.05963	2.6
115.05399	1.4
117.07016	8.2
119.08577	13.3
121.06471	4.0
121.10126	13.5
123.08063	1.7
124.97489	1.2
125.09574	5.0
132.79208	1.6
133.10130	7.2
135.08012	4.0
135.11691	100.0
137.09573	5.0
139.07443	1.3
143.08609	1.4
145.10124	19.9
153.12737	3.5
157.10094	1.8
159.11656	1.9
163.11174	18.7
165.12692	1.8
167.06989	1.5
173.74132	1.3
176.79884	1.3
181.12230	21.4
197.13243	3.1
212.15495	1.3
219.13680	3.6
237.14604	1.5
255.10173	4.5
255.15822	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	255.1593
Annotation	Maritolide
Peak:m/z	Relative Intensity
51.57407	0.5
53.03999	1.6
55.01930	3.7
55.05563	7.2
57.03193	0.9
57.03444	12.1
57.07131	13.6
65.03985	1.0
67.05180	1.1
67.05510	21.7
68.99849	1.6
69.03486	1.3
69.07079	8.4
71.01418	1.9
71.04998	2.3
71.08659	0.6
73.02995	1.3
79.05498	17.9
81.03422	4.0
81.07063	10.0
83.04991	15.9
83.08630	2.4
85.02949	0.6
85.06606	1.8
88.21120	0.4
91.05494	7.3
93.03432	0.5
93.07047	20.6
95.04488	0.7
95.04964	2.3
95.08623	3.3
97.02963	1.0
97.06536	8.5
97.10178	3.6
98.20685	0.8
98.97870	1.8
98.98473	54.8
99.04491	1.0
99.08157	1.5
100.98876	2.6
101.02451	1.0
105.07044	2.6
107.04958	4.9
107.08600	13.4
109.02887	4.6
109.06556	1.1
109.10134	2.4
109.32744	0.5
111.04447	22.1
111.08087	2.8
111.11797	0.5
113.02826	0.4
116.99574	0.7
117.07028	2.7
119.08581	2.6
121.06569	1.1
121.10148	4.6
123.08204	0.5
123.11783	0.6
123.83154	0.5
125.02412	0.7
125.05994	6.9
125.09695	1.6
127.07593	0.8
128.06390	0.5
129.07054	0.7
130.07854	0.7
131.08580	0.7
133.10211	2.0
135.04408	3.4
135.11699	25.7
137.09689	2.0
139.07574	0.7
140.01135	0.9
141.09152	1.0
145.10138	6.2
145.11176	0.6
147.11700	0.5
149.09651	1.4
151.07677	0.5
153.05475	21.5
153.12822	1.0
159.11798	0.5
161.01346	0.5
163.03937	1.3
163.11215	8.3
165.09084	0.5
175.07578	1.4
176.98952	2.6
177.09151	0.9
181.05002	4.7
181.12244	13.0
191.10670	12.9
193.08694	1.2
209.11742	100.0
210.11946	0.6
219.10103	1.3
237.11230	46.4
255.12549	3.7
255.15875	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	255.1592
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03934	4.3
55.01863	3.8
55.05267	2.0
55.05513	28.9
57.03439	54.4
57.07059	3.7
67.05508	81.0
69.03414	1.9
69.07073	21.5
70.79024	3.3
71.01336	4.7
71.04998	7.9
79.05494	66.1
81.03419	9.3
81.07060	39.1
83.04987	24.0
83.08625	7.1
83.18116	1.4
85.06532	4.5
90.62997	1.3
91.05488	28.4
93.07047	88.6
94.57774	1.3
95.04947	6.5
95.08598	10.3
97.05938	1.7
97.06530	19.5
97.10172	12.9
98.98460	3.7
99.08096	3.9
105.04523	1.6
105.07018	4.4
107.04945	2.4
107.08598	46.0
109.10176	6.9
111.08107	3.3
117.07025	7.1
119.08581	10.7
121.06471	3.4
121.10120	10.9
125.09608	4.9
133.10115	5.7
135.08035	2.5
135.11696	100.0
137.09601	1.7
145.10120	20.2
153.12743	3.1
163.11179	17.4
181.12244	21.1
183.63203	1.2
189.35417	1.4
199.13225	2.3
206.87314	1.4
255.15892	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	255.1592
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03935	4.1
55.01858	3.6
55.05267	1.6
55.05513	23.4
57.03439	46.2
57.07080	5.0
65.03943	2.0
66.02135	0.9
67.05508	73.2
69.03411	1.1
69.06683	1.2
69.07069	21.8
71.01356	5.3
71.04995	7.0
71.18847	1.4
77.03919	1.9
79.05496	65.8
81.03425	9.9
81.07060	37.4
83.04985	22.5
83.08631	6.0
85.06541	6.5
91.04914	1.0
91.05483	26.7
93.07047	77.3
93.60072	0.9
95.04957	6.6
95.08605	10.1
97.06533	21.1
97.10174	13.3
98.98451	4.0
99.04449	2.5
99.08080	2.4
105.07041	5.5
107.04955	3.2
107.08600	50.1
109.06516	2.3
109.10158	9.1
111.08076	2.9
117.07026	8.3
119.06093	1.1
119.08588	10.2
121.06520	2.3
121.10154	10.4
125.09634	4.7
133.10138	6.3
135.08113	2.2
135.11696	100.0
137.09604	2.8
139.07504	1.0
143.08598	1.3
145.10132	15.9
153.12741	3.2
163.07552	1.8
163.11165	13.1
181.12260	17.3
199.13216	1.1
255.15913	89.4
256.26343	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	255.1591
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03935	4.4
55.01861	4.9
55.05516	24.0
57.03443	45.5
57.07079	9.1
59.04988	1.6
65.03927	2.1
67.05512	71.4
69.03415	2.4
69.06728	2.0
69.07072	22.7
71.01331	4.1
71.04998	7.8
71.08629	1.4
79.05499	66.6
81.03430	10.4
81.07065	35.3
83.04577	1.8
83.04996	24.1
83.08637	7.9
85.02862	1.4
85.06532	5.8
85.68925	1.7
91.04977	2.0
91.05487	29.0
93.07051	72.2
95.04945	6.5
95.08617	15.1
97.06547	15.8
97.10182	16.1
98.98470	13.5
99.04442	1.9
99.08087	4.2
103.02415	1.7
105.04535	2.1
105.07034	7.2
107.04925	2.1
107.08606	52.6
109.10172	14.7
111.08058	4.7
115.87508	1.5
117.07019	9.0
119.08595	10.9
121.06486	4.1
121.10169	12.7
123.11690	1.6
125.09597	5.0
130.07799	2.1
133.10089	6.2
135.08046	2.5
135.11703	100.0
137.09610	4.1
138.89676	1.5
139.07538	2.7
143.08566	1.9
145.10138	17.0
149.09761	1.4
149.13173	3.4
151.11057	2.0
153.12775	1.9
163.11185	13.7
167.14352	2.1
169.10127	1.5
174.28477	1.4
181.12270	18.1
192.61615	1.4
195.13802	17.5
255.15863	83.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.2
54.55483	1.3
55.01852	4.8
55.05514	26.3
57.03440	40.8
57.07069	3.4
60.37909	1.3
65.03915	2.0
65.05443	1.4
67.05508	79.0
69.07073	27.0
71.01328	5.3
71.05003	7.8
72.91927	1.2
77.03895	1.2
79.05495	72.4
81.03423	10.7
81.07058	34.1
83.04984	26.4
83.08624	7.0
85.06537	7.2
85.06947	1.2
91.04990	2.2
91.05490	27.8
93.07046	73.4
95.04972	9.3
95.08597	11.5
97.06541	21.7
97.10174	14.9
98.98485	6.4
99.08068	2.3
103.05477	1.6
105.07006	4.9
107.04906	3.3
107.07896	3.1
107.08598	52.0
109.06476	3.0
109.10151	11.7
110.02195	1.2
111.04396	1.7
111.08061	3.4
113.00099	1.3
117.07045	8.4
119.08590	8.4
121.06449	2.8
121.10159	13.0
125.09622	2.9
125.59738	1.3
130.07826	1.2
133.10083	5.2
135.08054	2.5
135.11699	100.0
137.09601	3.4
143.08415	1.4
145.10124	16.0
148.90776	1.3
151.11198	1.3
153.12712	2.3
156.52927	1.3
163.11180	13.2
181.12233	17.8
186.06068	1.3
193.74190	1.3
255.15842	84.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Russulanorol
Peak:m/z	Relative Intensity
50.47680	1.2
53.03933	3.5
55.01856	4.0
55.05275	1.7
55.05516	23.4
57.03440	44.8
57.07062	3.2
62.05641	1.1
63.59553	1.3
66.37683	1.2
67.05508	72.5
69.03415	1.7
69.06730	1.8
69.07071	25.9
69.70812	7.9
71.01336	4.8
71.05007	9.9
77.08656	1.3
79.05498	67.3
81.03423	9.4
81.07062	36.2
83.04990	18.6
83.08641	6.7
85.06524	5.5
85.10300	1.3
91.05487	27.6
93.07049	74.6
95.04975	6.2
95.08613	14.4
97.06529	19.5
97.10191	15.5
98.21531	1.5
98.98453	9.0
99.04424	1.6
99.08087	4.1
105.04503	1.7
105.07029	6.4
107.04950	3.8
107.08600	47.2
109.06527	1.8
109.10160	11.6
111.08107	1.9
117.07059	8.2
119.08577	11.9
121.06523	2.6
121.10139	12.7
125.09613	4.5
133.10126	5.5
135.11696	100.0
137.09648	2.8
145.10147	13.9
153.12749	3.7
163.11194	15.1
181.10678	1.9
181.12234	16.0
213.82271	1.3
237.18752	1.3
254.05353	2.1
255.06306	2.8
255.10260	2.6
255.15884	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	255.1592
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03931	3.6
55.01858	6.1
55.05512	23.0
57.03439	43.0
57.07053	6.3
65.03912	2.3
66.27940	1.4
67.05508	77.2
69.03429	3.3
69.07073	30.8
71.01352	3.7
71.05009	10.2
71.08628	2.4
71.53540	1.7
75.86703	1.5
79.05496	69.2
81.03423	10.0
81.06593	3.2
81.07060	53.9
83.04987	27.4
83.08626	13.8
85.02895	2.2
85.06539	8.9
91.05491	27.7
93.07049	77.5
95.04957	8.7
95.08604	30.5
97.06539	26.0
97.10174	17.5
98.98472	21.7
99.04454	8.8
99.08096	7.3
100.98892	2.9
105.07040	9.3
107.04958	7.1
107.07883	2.9
107.08597	52.6
109.06504	7.1
109.10155	19.9
111.04414	2.2
111.08096	9.3
113.05978	2.2
114.49976	1.4
117.07058	8.0
119.08581	15.4
121.06474	2.9
121.10154	22.3
123.08101	3.8
123.11704	10.3
125.09610	5.8
128.06136	2.7
129.07011	2.2
130.07762	1.7
131.04919	2.0
131.08537	2.7
133.10152	8.8
134.60965	1.5
135.08061	2.7
135.11696	100.0
137.05962	1.8
137.09608	4.1
137.13246	1.9
139.11122	2.0
143.08604	1.5
145.10121	16.3
149.13214	3.3
151.11179	2.7
153.12726	4.7
157.10005	1.9
159.11635	5.3
161.13211	3.8
163.11174	18.4
173.13200	1.5
175.14809	2.5
177.16365	6.7
181.12241	22.1
193.04950	1.9
201.16309	6.0
206.77971	1.4
212.55917	1.6
213.16176	1.6
213.97951	1.7
219.13838	3.2
219.17415	5.5
219.21089	3.1
224.08240	1.8
227.06955	2.0
237.14746	3.5
237.18500	10.7
237.22034	1.8
255.06480	9.2
255.10239	9.8
255.15858	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	255.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.0
55.05507	0.4
56.05026	0.3
56.96572	4.8
57.03188	0.4
57.03442	5.1
57.07065	0.3
57.13264	0.3
59.04990	0.6
61.02929	3.0
61.55106	0.2
67.05508	0.3
69.03436	3.1
69.96005	0.4
69.96400	0.7
70.98122	0.5
71.01352	1.0
71.04983	0.5
71.95260	0.3
73.02928	2.8
78.03445	1.3
80.05019	1.9
81.03422	1.1
81.07072	0.3
84.08141	0.5
84.96031	1.2
85.02913	5.1
86.03677	0.9
87.00827	0.3
87.04467	1.0
93.07070	0.3
94.06541	0.3
96.01524	0.4
96.04514	0.4
97.02893	2.4
97.96784	0.4
97.99191	0.4
98.97585	4.1
98.98470	0.8
99.04456	0.8
100.02493	0.3
100.05261	0.4
100.99127	0.3
101.00867	0.4
103.03934	0.3
106.02930	6.2
109.02882	1.1
110.01298	0.8
110.07158	0.5
110.97559	0.9
113.02379	0.3
115.02452	0.3
115.03932	1.9
116.98617	1.7
117.02077	0.6
117.04041	0.3
119.01842	0.8
123.05561	100.0
124.03955	2.3
124.05955	0.3
124.99109	0.5
126.02607	0.4
127.02375	0.3
127.03923	0.8
128.98587	0.9
131.01961	0.5
133.03450	0.3
133.04979	3.2
138.02525	0.3
140.98630	0.3
142.01807	0.3
143.00188	0.5
143.01892	0.5
144.99828	0.5
145.01677	0.6
145.03444	0.5
146.99646	0.5
147.03145	0.4
150.01773	0.3
152.02315	0.3
155.00174	0.4
155.01918	0.3
157.03506	0.3
158.99663	0.7
159.01151	0.3
159.03156	0.6
161.02937	0.7
161.04457	0.3
163.02783	0.4
165.00780	0.4
168.03447	0.7
170.04810	0.3
170.99585	0.3
173.01234	0.8
177.00725	0.3
182.99629	0.5
186.04471	1.3
189.04114	0.5
190.98657	0.8
191.02274	0.8
196.04945	0.3
198.04681	0.7
201.00703	0.6
204.05420	0.3
205.01933	0.3
205.05438	0.7
207.05226	1.8
208.99785	0.9
209.03143	0.5
213.05521	0.8
214.04089	0.5
214.05948	2.1
215.04123	0.3
219.01767	0.4
222.54059	0.6
223.04521	0.3
223.06519	6.0
226.02499	0.4
232.01413	0.4
232.04929	0.9
232.07025	3.9
232.57191	0.3
233.03401	0.5
234.57312	0.3
237.07108	0.3
245.05060	0.3
250.06125	0.5
251.04482	0.4
255.06517	3.1
255.09862	0.5
256.03064	0.4
267.67661	0.3
269.05545	0.8
273.07745	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.3
55.16343	0.4
56.05028	1.8
56.96558	2.2
57.03443	5.7
59.05003	0.6
61.02923	1.3
68.60452	0.4
69.03436	3.2
70.05416	1.8
70.06589	0.5
71.01350	1.7
71.04994	1.3
71.48222	0.3
73.02926	3.1
75.67557	0.4
78.03456	1.4
79.87456	0.4
80.05022	2.2
81.03413	1.7
84.96037	0.7
85.02496	0.5
85.02921	4.7
86.03687	1.9
87.04480	1.1
96.04492	0.6
97.02903	1.5
97.96819	1.5
98.97585	3.9
99.04460	1.0
100.05248	1.4
101.00811	0.7
106.02924	6.4
108.01566	0.4
109.02872	1.9
110.01289	0.8
110.97575	1.0
112.99129	1.0
115.03931	1.7
116.98647	0.8
117.02068	0.6
119.01891	0.6
123.05561	100.0
124.03975	5.0
124.99152	1.2
126.02593	0.9
126.66724	0.4
127.03942	0.8
128.98613	0.7
131.00148	0.5
133.04977	3.6
143.00273	0.8
143.01842	0.5
145.01645	0.7
145.03345	0.5
146.02225	0.5
154.03870	1.0
155.08202	1.2
161.02914	0.5
169.04378	0.4
170.03342	0.4
173.01204	0.9
173.02934	0.6
179.02222	0.9
182.99821	0.6
186.04401	0.6
189.04208	1.1
195.06084	0.4
196.04866	1.0
198.04716	1.6
201.00703	0.5
205.05553	1.9
207.05232	3.1
213.07314	0.8
214.05952	5.7
215.02293	0.5
223.04752	3.6
223.06577	11.4
229.85593	0.4
232.04958	0.5
232.07050	9.1
233.03293	0.7
237.07271	1.2
245.05099	0.5
251.04269	0.5
255.06052	0.7
255.08353	1.9
255.11180	0.9
255.13531	0.5
256.16583	1.3
269.05380	0.8
273.09460	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01157	8.1
56.96556	20.1
69.97211	39.8
94.92425	8.6
98.97572	22.0
100.70007	9.0
112.89606	69.0
119.02032	9.9
125.66637	8.9
155.69942	10.5
165.18143	9.2
196.86935	12.8
232.08231	9.4
255.00835	43.8
255.06291	100.0
272.94318	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	255.0865
Annotation	Sporovexin B
Peak:m/z	Relative Intensity
50.01594	0.8
51.02387	1.0
53.03940	6.8
55.01625	1.0
55.01876	14.2
55.05514	11.1
57.03439	18.8
57.07096	0.7
59.04991	0.5
61.02922	1.1
62.06087	4.0
63.68374	0.6
65.03937	5.4
66.04733	1.1
67.01868	0.9
67.05506	21.9
68.99805	1.3
69.03432	25.9
69.07070	16.8
70.08289	1.0
70.08685	1.4
71.01366	4.8
71.04990	2.1
73.02926	1.0
77.03905	1.0
79.05497	75.7
81.03420	6.1
81.07060	100.0
83.01357	2.2
83.04988	5.4
83.08616	1.3
85.02907	19.5
85.06554	1.1
86.79440	0.7
87.00834	1.1
87.04481	0.9
91.05486	42.5
93.03413	2.9
93.07048	23.9
95.01335	38.9
95.01950	1.4
95.04367	1.2
95.04972	22.9
95.08617	7.0
97.02887	3.6
97.06535	39.9
98.20818	1.0
98.97565	1.1
98.98483	4.5
99.04453	3.1
99.08102	0.8
101.02386	1.2
103.05479	4.7
105.03434	0.6
105.04530	2.5
105.07040	11.4
107.04964	13.4
107.08596	9.4
108.05782	0.7
109.02881	3.0
109.06525	59.5
109.10164	4.4
111.00821	1.0
111.04440	3.9
111.08088	6.9
113.02376	10.5
115.03948	0.6
115.05472	5.0
116.06263	1.8
117.07030	14.5
119.04957	10.4
119.08587	23.6
121.02903	2.3
121.06514	9.9
121.10166	1.7
123.00822	0.8
123.04433	6.6
123.08064	6.4
125.02341	3.6
125.06004	4.7
125.09651	0.8
127.03946	1.6
127.07600	0.8
128.06230	1.3
129.07018	6.7
131.04935	1.4
131.08563	6.2
132.05740	1.3
133.06506	4.5
135.04456	4.1
135.08063	12.2
135.11688	1.2
137.02362	1.6
137.05975	14.5
137.09615	3.6
139.03908	8.7
139.07545	4.1
141.01822	8.2
141.02751	0.7
141.05472	3.6
141.09087	0.7
143.72954	0.5
145.06497	5.2
147.04460	1.6
147.08049	17.3
149.05992	5.5
151.03966	1.4
151.07539	4.8
151.11252	0.7
152.08353	1.1
152.60773	0.6
153.05486	1.9
153.09102	0.9
155.07028	5.1
157.06509	1.9
159.02930	3.6
161.05956	3.2
163.03938	1.2
163.07558	17.7
165.05507	2.2
165.09129	33.4
167.07028	5.3
173.04539	1.8
173.06068	3.3
175.07547	5.5
177.05544	2.1
179.07056	2.0
181.05005	4.2
181.06322	0.6
181.08597	8.3
183.10217	3.7
191.07048	7.5
193.08621	13.6
193.10272	0.9
194.11081	0.6
199.09772	0.7
201.05565	1.2
207.06557	0.6
207.98891	0.5
209.08073	4.5
211.09676	2.9
214.08669	0.7
219.06581	3.3
219.13893	1.4
225.07666	1.0
227.07236	0.8
227.09262	1.2
237.07619	6.0
237.18701	0.9
255.06451	1.8
255.08759	8.7
255.17955	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.7
55.05508	0.7
56.96564	0.6
57.03443	4.6
59.05012	0.6
61.02925	2.5
61.04042	0.4
67.05515	0.7
69.03435	3.0
69.07076	0.5
69.86409	1.9
70.06591	0.7
71.01347	0.7
71.08627	0.3
73.02547	0.5
73.02924	4.0
75.04504	0.6
78.03460	1.2
79.05485	0.6
80.05035	2.3
81.03408	0.6
81.07064	0.5
83.08647	0.9
84.04509	0.4
84.08136	1.1
85.02917	5.5
87.04469	1.2
88.03976	0.4
91.03972	0.6
93.05474	0.4
96.04482	0.8
97.02909	2.9
97.06454	0.4
98.97576	0.5
98.98480	2.5
99.04459	0.5
101.00881	0.9
101.02355	0.4
102.43238	0.4
103.03952	0.5
103.05450	0.4
106.02922	5.9
109.06427	0.5
110.07202	2.0
110.07874	0.5
110.97633	0.4
115.03954	2.1
119.01929	0.9
121.10143	0.5
123.05565	100.0
124.03970	10.1
124.04840	0.7
126.05520	0.6
127.02417	0.4
127.03933	1.0
129.01947	0.4
131.01915	0.7
133.04997	2.7
138.05545	0.5
140.07127	1.0
142.08627	0.4
143.01924	1.0
144.99840	0.7
145.03497	0.9
145.04971	0.6
153.05411	0.4
153.06645	1.0
154.06969	1.1
155.01915	0.5
155.08211	0.6
156.07712	0.8
159.01457	0.4
161.02962	0.5
174.04488	1.1
177.02466	0.5
183.05054	0.5
185.02965	0.6
189.03999	0.7
197.03053	0.5
203.03970	0.4
214.05927	0.4
223.06578	0.5
232.07101	0.6
245.05154	0.6
255.00211	3.4
255.06380	4.6
255.09840	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	254.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01882	1.2
55.05514	2.1
56.96589	0.7
57.03430	1.3
57.07097	0.6
61.36868	0.5
62.06097	100.0
67.05521	2.9
67.65088	0.5
69.03445	1.1
69.07077	1.6
69.93153	2.4
71.05010	0.9
77.70367	0.5
79.05505	4.8
81.03427	33.8
81.07063	5.5
83.05002	0.8
83.08614	3.6
84.08153	0.7
85.02906	1.2
85.06560	0.7
91.05490	4.5
93.07069	2.2
95.01351	0.6
95.04987	6.5
95.08620	2.1
97.02919	1.0
97.06548	1.1
97.10197	0.7
98.97601	1.5
98.98478	2.3
105.07024	3.4
107.04963	1.6
107.08599	1.8
109.02904	0.6
109.06506	3.2
109.10127	0.6
111.08123	1.6
117.07060	0.7
119.08594	3.4
121.06522	2.6
121.10201	1.3
123.08069	1.1
124.11224	0.7
129.07030	1.9
131.08588	1.9
133.06519	0.7
133.10078	0.8
134.09627	1.2
135.08096	0.8
145.10133	0.6
147.08067	1.0
147.11693	1.8
149.09666	0.8
150.41640	0.5
157.10162	2.0
158.99626	0.8
159.99661	0.6
165.12743	0.5
175.11224	1.7
192.13843	0.6
193.12262	2.3
194.12936	1.1
236.13019	0.7
236.16470	4.6
237.14902	9.2
250.78761	0.5
254.15424	1.3
254.17551	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	254.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33747	0.3
55.05514	1.4
57.64779	0.4
58.02955	1.2
60.04527	0.4
67.05498	1.0
69.07063	1.2
69.54897	1.4
69.55301	0.6
71.05015	0.3
71.07159	0.3
79.05501	1.9
80.04999	0.9
81.03439	0.3
81.07076	1.6
82.06559	0.5
83.08628	0.7
86.02435	0.5
88.03987	1.0
91.05468	0.5
93.07041	4.2
94.06566	0.9
94.25319	0.3
95.08607	1.5
98.98482	1.3
102.05505	0.3
105.07029	0.6
107.08596	1.9
108.08131	2.9
109.02885	0.7
110.09666	0.7
114.05566	0.7
121.10182	0.7
121.54637	0.4
122.09679	5.2
123.10426	0.5
126.05525	0.8
128.07100	0.4
128.27139	0.3
135.10748	0.5
135.11684	2.9
136.11232	2.3
138.05482	2.8
138.06184	0.3
140.07065	0.6
142.08621	0.8
150.12788	2.6
151.13557	3.5
152.07053	0.4
153.07863	0.4
154.08681	1.5
156.06491	1.7
156.10225	0.9
156.27655	0.3
164.14355	7.4
166.08630	2.4
167.09442	0.4
168.10172	1.6
180.10197	2.6
181.10997	1.1
182.11761	1.0
200.81303	0.3
208.13226	1.9
210.14903	100.0
212.16440	4.0
231.03169	0.7
254.17526	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	5.4
69.07088	0.9
70.11888	3.9
71.01359	6.8
75.04478	13.9
80.65820	1.2
85.31629	0.9
87.04463	4.2
88.38111	1.0
89.02409	1.9
98.98470	1.5
103.03952	19.5
131.03436	4.8
139.23608	0.9
159.02905	47.3
160.03923	0.9
187.02362	3.3
209.14284	0.9
219.05023	100.0
226.87511	1.0
254.08582	1.2
271.42728	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	254.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96589	2.6
60.08166	80.2
65.03936	4.6
65.82434	0.6
69.74196	3.6
79.05505	1.2
83.06104	1.2
85.02925	1.0
91.05481	7.4
91.05923	0.6
93.03405	24.8
95.04961	0.6
95.06126	1.2
97.02911	1.0
98.97601	3.2
98.98530	1.0
103.05499	1.2
110.03695	2.5
110.07187	7.0
111.04452	9.4
119.04940	6.1
121.06543	2.7
122.05999	0.8
125.05993	38.7
134.03621	1.0
135.04347	0.8
138.05478	2.5
143.00230	0.9
149.05984	85.4
151.07538	1.3
153.05469	100.0
159.02876	1.8
163.12306	2.6
163.18317	0.8
175.04369	1.8
177.05486	5.4
190.13333	1.3
195.06532	66.4
203.80264	0.7
208.14474	4.5
219.04929	2.7
254.13812	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18818	1.3
61.02946	7.5
61.62079	1.3
64.04679	1.2
69.70412	4.9
69.70811	2.2
71.01360	6.8
73.88344	1.2
75.04491	15.0
78.02070	1.6
78.41241	1.3
79.80232	1.1
79.84285	1.2
87.04463	4.4
89.02415	2.4
103.03947	19.3
118.08678	1.5
128.17479	1.3
131.03426	3.9
150.42027	1.2
159.02914	43.6
187.02400	4.8
219.05037	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2164
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
53.03943	3.4
55.01883	2.1
55.05516	64.3
57.03436	2.9
57.07082	17.0
60.60155	1.3
65.03940	1.6
67.05511	49.1
69.03429	3.5
69.07074	100.0
70.65079	1.5
70.65412	2.7
71.04995	6.8
71.08642	5.8
73.06554	2.3
74.90434	1.0
76.85215	1.1
79.05495	18.4
81.07066	77.5
83.04971	5.5
83.08627	63.6
83.09074	1.0
85.02871	1.9
85.06549	6.1
85.10179	2.9
87.39735	1.2
91.05486	21.6
93.07050	28.2
95.04967	3.2
95.08617	72.1
97.06538	12.4
97.10179	58.9
98.98476	64.1
99.04504	1.2
99.08121	7.0
101.06017	2.2
105.07037	18.1
107.08595	23.5
109.06506	3.4
109.09475	2.5
109.10170	33.4
111.08128	6.9
111.11732	19.1
113.09657	5.0
115.07574	2.5
119.08591	22.8
121.09341	2.2
121.10160	31.4
123.08109	6.2
123.11736	15.0
125.09650	6.6
125.13242	4.6
127.07545	1.6
129.09126	2.0
133.10146	25.3
135.11699	28.4
137.09631	8.1
137.13252	11.3
139.11212	11.5
141.09090	2.0
147.11702	24.9
149.13292	9.2
151.11200	11.4
151.14798	8.1
153.12769	7.6
155.10739	2.4
161.13269	20.9
163.14864	1.6
165.12769	9.9
169.12210	3.0
174.99162	1.5
175.14853	8.6
177.16374	2.4
179.14308	8.0
189.16389	1.6
191.17943	3.3
193.15875	2.8
193.19499	8.7
197.11781	2.8
210.06738	1.4
217.19542	44.7
217.21619	2.7
235.13416	1.4
235.16965	1.6
235.20589	41.2
253.04858	3.1
253.08633	7.0
253.14323	4.5
253.21640	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	253.2164
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
53.03951	3.7
55.01876	3.3
55.05515	65.7
57.03443	3.8
57.07078	17.0
61.07666	1.0
65.03917	1.3
67.05511	55.0
69.03429	3.7
69.07072	100.0
69.29876	10.2
71.04998	9.0
71.08630	4.9
73.95496	1.2
75.82690	1.0
79.05503	22.2
81.07063	84.5
83.04964	6.2
83.08625	61.8
83.09127	2.6
84.62630	1.1
85.02919	2.3
85.06552	10.6
85.10186	3.4
87.04474	1.4
91.05494	22.6
93.07047	33.9
95.04984	3.5
95.08613	76.0
96.53787	1.0
97.06528	15.0
97.10178	55.9
98.20736	2.4
98.98472	92.7
99.04472	1.6
99.08087	5.9
101.06024	1.6
105.07039	23.2
107.08597	27.7
109.06509	2.4
109.10164	37.1
111.08090	9.4
111.11031	2.2
111.11729	24.5
113.05996	2.0
113.09586	2.4
115.07625	1.6
116.99546	1.7
119.08597	27.6
121.06487	1.3
121.10153	40.3
123.08056	8.9
123.11722	18.4
125.09637	8.8
125.13268	5.4
127.07567	2.7
129.09129	1.9
131.08632	2.1
133.06514	1.4
133.10133	29.4
135.10689	2.2
135.11702	31.8
137.09604	9.6
137.13261	11.4
139.11160	9.7
141.05486	1.4
142.04865	1.5
143.10725	1.2
144.07727	1.3
145.10204	1.3
147.11688	22.2
149.13333	8.7
149.14319	1.8
151.11203	11.2
151.14845	8.8
153.12762	8.7
155.10715	2.6
155.88103	1.4
157.12260	1.2
161.13275	16.3
163.14777	2.3
165.12794	10.7
167.14314	1.4
169.12248	2.7
171.13768	1.6
174.99217	2.8
175.14848	9.2
176.98993	2.5
177.16435	1.7
179.14326	9.5
183.13884	1.5
189.16437	2.2
191.18016	3.3
193.12213	1.4
193.19542	7.5
197.11661	2.1
217.19534	49.6
235.17073	2.8
235.20569	35.7
243.80409	1.2
253.08781	2.4
253.14177	1.5
253.21661	30.3
272.60101	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1799
Annotation	Trichodiol A
Peak:m/z	Relative Intensity
53.88866	0.9
54.07409	0.8
55.01856	3.0
55.05515	6.5
56.45448	1.0
57.03434	2.1
57.07063	2.6
57.72910	0.7
58.28462	0.7
58.95103	0.9
67.05508	20.4
69.03432	100.0
69.07073	6.4
71.04977	2.4
71.53326	1.0
71.53705	1.1
79.05502	11.2
81.03409	1.5
81.06585	1.4
81.07060	23.2
83.04967	2.9
83.08635	4.0
85.02878	1.5
85.06528	2.3
87.04456	0.9
89.06039	1.3
91.04975	1.3
91.05487	19.5
93.07046	12.5
95.04943	2.3
95.08613	13.2
97.06523	6.1
97.10152	1.8
98.98470	94.5
99.08070	1.1
105.07030	14.9
107.08604	10.3
109.06531	4.7
109.10152	8.8
111.04478	1.3
111.08066	1.3
116.99526	1.3
119.08578	12.3
121.06471	1.8
121.10132	6.6
123.08043	4.3
123.11684	4.8
125.09676	1.2
131.04669	0.8
131.08548	3.1
133.09120	1.4
133.10135	28.6
135.11665	1.9
137.09608	3.1
140.01192	0.8
141.05426	0.8
142.07689	0.7
143.08589	1.2
145.10118	1.0
147.11705	6.6
149.01221	0.9
149.09598	2.9
149.13228	2.7
151.11189	8.7
156.08389	0.8
157.10095	3.1
161.09583	1.5
161.13243	1.9
165.12782	1.6
174.99236	2.1
175.11166	1.6
175.14806	1.3
176.98929	2.5
179.10710	0.9
189.16376	3.7
189.93684	0.8
193.12239	2.4
197.11795	1.4
199.14784	2.8
207.17403	3.9
212.10719	1.7
217.15866	4.1
235.16924	37.8
253.14192	17.1
253.15956	2.0
253.18428	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	253.1799
Annotation	8,10-Dihydroxy-2,6,10-trimethyl-2,6,11-dodecatrien-4-one
Peak:m/z	Relative Intensity
55.01860	2.4
55.05518	5.5
56.96554	1.4
57.03421	0.9
57.07065	3.1
67.05506	14.4
69.03433	81.4
69.07071	4.9
71.04984	2.0
71.53283	1.2
73.06553	1.6
79.05510	7.2
81.03416	1.9
81.07064	16.1
83.04967	2.3
83.08621	3.5
85.06535	2.9
89.06039	0.8
90.74404	0.7
91.05488	11.9
93.07047	11.8
95.04966	3.3
95.08605	9.7
97.02895	1.0
97.06532	4.6
97.10175	1.6
98.98473	100.0
99.08064	0.9
100.98907	1.1
105.03378	1.6
105.07044	8.3
107.08595	9.3
109.06516	4.6
109.10170	6.5
111.04446	0.8
111.08080	2.2
116.99503	2.1
117.07019	2.2
119.08589	4.3
121.06535	1.3
121.10164	5.2
123.08076	4.0
123.11700	3.0
125.05988	3.2
127.07542	0.8
129.07024	1.3
131.08572	2.8
133.10138	16.4
135.11734	1.5
137.09641	2.4
137.13284	1.0
140.01086	1.3
145.10149	1.0
147.11662	4.0
149.09647	3.0
149.13252	1.9
151.11198	4.2
157.10063	1.4
161.13249	1.0
165.12711	1.5
166.15904	1.8
171.11618	1.1
173.13185	1.1
174.99210	2.7
175.14810	0.8
176.98943	2.4
189.16402	3.5
193.12250	1.0
197.11729	3.3
199.14836	3.0
207.17424	2.5
217.15828	4.8
225.14827	4.0
235.16943	27.4
253.06247	1.4
253.12061	1.3
253.14275	7.8
253.18042	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	253.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56806	0.4
55.05507	1.1
57.03432	0.6
57.07077	0.8
61.80040	0.4
65.37050	0.4
67.05497	1.4
69.03422	0.6
69.07074	0.9
70.02933	0.9
70.06593	0.4
71.05000	0.5
71.53527	0.5
72.08160	0.4
74.02443	5.8
75.02788	1.4
79.05502	1.9
80.05855	0.6
81.03405	0.6
81.07059	4.0
82.07417	2.1
83.04965	0.5
83.08618	0.6
84.08125	0.4
85.02905	1.3
87.04465	0.6
88.04003	8.9
89.03826	0.4
89.04325	2.9
89.06062	0.5
91.05487	14.5
92.05233	0.9
92.05820	15.5
93.02008	0.4
93.07060	1.1
94.04063	1.1
95.04958	0.8
95.08638	0.7
97.02913	1.4
98.98475	26.6
100.74482	0.4
105.07015	1.3
107.04969	0.6
107.08601	0.7
109.02876	1.0
109.06483	0.6
109.10209	0.5
116.03486	3.2
117.03829	1.6
119.03548	1.4
119.08585	0.9
119.27293	0.4
120.03908	1.2
120.08108	1.0
121.02882	0.7
121.06517	1.3
121.10140	0.6
123.04733	0.3
123.05579	2.9
123.08073	1.4
133.10129	0.9
134.04497	12.4
135.03984	0.5
135.04869	5.2
135.08014	0.6
136.06198	78.7
137.04474	2.3
137.06645	55.2
138.04837	0.6
138.09122	0.6
158.99738	0.5
164.07036	0.5
171.11717	0.6
174.99240	0.4
176.98985	0.8
178.07793	0.5
179.10699	0.7
197.11697	1.0
207.08315	1.6
217.12402	0.7
235.07915	1.2
235.13815	23.7
253.14871	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1435
Annotation	Fascicularone A
Peak:m/z	Relative Intensity
53.03948	3.3
55.01881	5.8
55.05506	7.8
56.96564	1.2
57.03432	3.4
57.07090	2.4
59.04999	1.3
65.03927	1.9
67.05510	20.7
69.03426	5.7
69.07077	12.5
71.04987	9.3
71.53239	1.4
73.06547	1.9
79.05499	26.6
81.03439	2.5
81.07059	55.7
83.04991	8.3
83.08637	3.0
84.08176	1.4
85.02924	6.8
85.06552	7.5
91.05489	20.0
93.07047	46.7
95.04972	12.3
95.08614	24.8
97.02885	4.7
97.06532	20.4
97.10176	1.2
98.98473	91.1
99.04469	11.1
99.08094	4.7
101.06004	2.5
103.05435	1.8
105.04559	1.4
105.07045	29.6
107.04977	7.6
107.08605	29.0
107.12376	1.1
109.02849	2.0
109.06528	39.0
109.10170	14.5
111.08110	7.1
113.06040	1.6
115.05442	1.6
117.07034	4.6
119.04933	2.1
119.08589	22.7
121.06512	100.0
121.10143	10.1
123.04442	4.7
123.08050	7.2
123.11738	6.5
125.05987	4.7
125.09634	2.0
127.07558	12.5
127.11239	1.6
128.06183	1.9
129.06992	5.2
130.63393	1.4
131.08589	8.2
133.06476	5.5
133.10132	15.5
135.04437	4.3
135.08052	12.3
135.11703	3.8
137.05984	6.0
137.09613	3.7
139.07555	12.2
141.05519	1.9
141.06964	1.7
142.07782	4.9
143.07089	2.4
143.08569	9.2
145.06456	2.2
145.10150	8.1
147.08070	6.2
147.11694	32.8
149.09586	3.5
149.13232	1.8
151.07581	2.8
151.11180	1.5
153.07059	1.7
153.09087	2.5
155.10777	1.6
156.09424	2.9
157.06505	1.5
157.08832	1.4
157.10153	17.2
159.11795	1.3
160.08829	1.7
161.09615	3.9
161.13260	14.5
163.11147	1.7
163.14841	1.7
165.07028	2.6
165.12767	14.9
166.07784	3.5
171.08015	1.9
171.11705	21.2
171.56915	1.8
173.09633	3.7
174.99284	3.2
175.07500	2.0
175.11185	19.4
175.14798	1.6
176.98981	4.1
181.10107	6.5
183.13809	1.4
184.08836	3.1
189.12743	23.0
189.16470	1.3
193.12267	15.0
197.11792	2.2
199.11192	32.1
207.13829	12.5
209.15421	1.8
210.18552	2.8
211.13342	3.3
217.12256	99.5
217.15663	2.8
223.04208	1.5
229.14491	2.5
235.13298	60.0
235.16991	4.7
241.05171	4.4
252.59552	1.8
253.05058	1.2
253.08406	2.6
253.10664	2.1
253.14349	26.3
253.17812	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	253.1435
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
51.02372	0.3
53.03940	1.2
55.01627	0.5
55.01874	6.6
55.05270	0.4
55.05514	5.0
56.96548	0.6
57.03434	2.2
57.07062	1.0
59.04994	0.6
65.03938	0.7
67.05508	24.1
69.03429	2.4
69.07069	6.5
71.04996	2.7
71.54134	0.3
71.54563	0.4
73.06566	0.7
79.05493	11.6
81.03422	3.5
81.07060	22.7
83.04981	5.3
83.08596	1.9
85.02895	0.8
85.06543	3.4
91.05483	21.6
93.06480	0.5
93.07049	8.0
95.04969	3.4
95.08617	4.6
97.06534	2.0
97.10186	0.8
98.98472	26.4
99.04456	1.2
99.08091	0.3
100.98915	0.4
101.06010	0.4
105.03375	0.6
105.07035	18.6
107.04934	1.2
107.08600	14.8
107.50499	0.3
109.06527	2.5
109.10160	28.4
111.04436	0.3
113.05998	1.4
115.07539	0.4
116.99506	0.4
117.07016	0.6
119.08575	1.8
121.10117	0.7
121.68623	0.3
123.08064	0.7
123.11716	5.8
125.09631	0.8
127.07555	2.0
128.06236	0.5
131.08542	0.8
133.06508	0.6
133.10136	33.6
135.11693	0.3
137.09587	0.4
143.08554	1.0
151.11186	18.4
161.09653	2.0
161.13318	0.5
169.12259	3.3
174.99272	0.6
176.98845	0.8
179.10670	1.0
197.11780	0.5
212.10585	0.3
215.12738	0.9
221.11134	0.3
253.14348	100.0
254.14828	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84126	0.7
53.03931	2.6
55.01863	2.1
55.05517	11.4
56.96563	1.8
57.03450	5.8
61.02938	8.0
62.50664	0.8
65.54273	0.7
67.05507	0.9
69.03092	1.0
69.03436	17.6
69.86513	3.8
71.04990	1.8
72.08109	1.3
73.02934	4.1
73.06564	65.1
81.03437	7.0
84.08111	1.3
85.02912	100.0
87.04448	2.9
91.03962	5.0
97.02300	1.4
97.02906	21.9
97.45089	0.7
98.97598	5.5
98.98471	18.3
99.04469	4.7
103.03918	1.2
103.05476	0.8
109.02885	9.2
110.07197	1.4
112.07597	1.9
115.03934	1.3
115.29524	0.8
116.03632	0.9
120.08117	20.8
127.03934	21.9
145.04974	24.5
148.24232	0.8
155.04642	1.4
158.99751	1.1
163.06036	3.6
174.73050	0.9
181.11888	1.0
191.70663	0.8
193.00259	0.9
197.11662	0.8
207.11252	1.4
212.07649	2.5
230.08760	2.4
253.11792	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1959
Annotation	CHEBI:70402
Peak:m/z	Relative Intensity
51.20286	0.3
53.15123	0.3
56.96542	0.4
69.35191	2.1
69.35596	0.7
79.05489	0.5
90.31266	0.3
91.05470	0.3
93.07049	0.4
95.08604	0.5
98.21525	0.6
98.98463	2.3
107.09926	0.3
118.06545	3.9
120.08057	0.6
131.00053	0.3
132.08070	0.8
140.53899	0.4
146.09612	0.8
150.09129	1.9
151.09944	1.0
162.09178	2.9
164.11646	0.3
166.08694	0.5
166.12245	0.4
176.10857	0.5
176.14359	17.1
177.11571	0.3
178.12341	0.4
180.13805	0.5
182.12701	0.4
187.99326	0.3
190.12268	0.8
192.13847	2.8
194.11786	17.9
202.15952	0.5
208.16980	1.0
209.14113	0.4
220.16975	33.2
222.18536	0.5
252.09720	1.7
252.19597	100.0
252.59575	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14418	0.6
53.03947	1.4
55.01866	1.5
55.05518	2.2
56.05040	0.7
56.96571	4.4
57.03446	3.1
57.07070	1.2
59.05004	3.9
59.06103	0.8
60.04526	3.1
61.02934	3.0
67.05503	2.0
69.03432	7.2
69.07070	2.1
69.94070	0.9
69.94460	1.4
70.06604	2.9
71.04995	2.3
72.04492	0.6
72.08163	2.4
73.02910	2.5
73.06559	100.0
79.05505	1.9
81.03426	2.9
81.04538	5.3
81.07053	2.7
82.06591	1.9
83.04988	1.1
83.08620	0.7
84.04527	2.6
84.08150	2.0
85.02911	30.9
86.09742	1.1
87.04487	1.4
88.07647	1.2
89.06048	1.5
90.05572	1.1
91.03980	0.8
91.05500	2.4
91.07609	6.1
93.07040	1.5
95.04974	1.5
95.08604	1.6
97.02908	9.0
97.06537	1.3
98.21468	1.0
98.31342	0.6
98.97591	8.5
98.98473	52.8
99.04475	1.3
103.03944	0.7
105.07037	0.8
107.04984	1.5
107.06087	0.9
107.08625	0.7
109.02872	3.5
109.06569	1.0
109.10136	0.8
110.01315	0.6
110.06057	0.8
110.07162	2.9
110.97603	1.0
111.04439	1.1
111.09182	4.6
112.07655	0.7
112.99160	0.6
115.03974	1.2
116.98635	2.7
116.99429	1.0
117.02017	0.5
118.06547	0.7
118.12814	0.6
120.04515	0.6
120.08128	5.0
121.02893	0.7
121.10162	0.8
122.06240	1.0
122.07150	6.4
123.04433	1.5
123.08032	1.1
123.46484	0.5
124.07662	3.3
124.08660	2.8
127.03936	6.3
128.98653	0.7
130.04976	0.8
130.08688	0.9
131.05019	0.6
132.98129	0.7
133.06502	0.9
133.08601	1.2
134.06046	1.0
135.08104	0.6
136.06438	0.5
136.07582	2.6
139.05118	0.6
139.09813	0.7
141.05489	0.9
145.04968	5.0
146.06021	0.7
146.99771	0.6
147.04491	1.1
149.05978	1.0
149.08319	0.9
150.05524	0.8
150.99184	0.8
151.11284	0.6
152.07129	0.7
158.99692	4.5
161.04829	0.6
161.06058	0.7
162.05309	0.6
163.12363	0.7
164.09363	2.3
165.05571	1.3
165.11400	6.0
166.08696	2.7
170.99620	0.5
174.99278	2.0
176.98947	1.3
177.00778	2.5
179.08379	0.6
180.08957	1.6
181.12015	2.1
182.99719	1.0
189.00697	0.9
191.08562	0.8
193.00264	1.8
194.21053	0.5
196.14511	1.4
197.11836	2.4
201.00749	1.3
207.01784	0.7
207.11394	0.9
208.08441	2.3
219.01923	0.7
225.17181	1.9
232.04344	0.7
235.01360	1.4
235.10747	0.7
253.02386	3.1
253.08546	0.8
253.10670	1.3
253.13036	8.8
253.16667	14.6
271.03549	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96861	0.4
53.29694	0.3
55.05520	0.7
57.03452	0.5
58.58426	0.4
59.09811	0.4
59.12228	0.4
65.03929	0.6
69.58381	0.8
69.58780	2.2
70.02959	2.3
72.08166	0.5
74.02445	24.2
79.05498	0.6
81.07057	2.2
84.04503	0.5
85.97794	0.4
87.90789	0.4
88.03996	47.8
91.05486	100.0
94.04062	0.6
98.02430	0.4
98.98481	2.4
99.00826	0.5
100.06200	0.4
116.03461	15.8
119.03561	1.8
120.08154	0.5
134.04497	68.0
136.06194	61.9
136.07365	1.0
136.07838	0.8
137.04555	0.8
137.06004	0.6
146.06013	0.5
152.05704	0.9
154.05923	0.5
178.74190	0.4
206.08144	2.4
234.07663	6.5
234.09888	0.8
234.13504	9.4
252.08981	3.3
252.14578	41.7
268.05423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2006
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03957	1.0
55.05512	5.5
57.03432	1.0
57.07074	1.9
59.04988	2.0
63.10757	0.7
65.03934	1.2
67.05508	41.8
69.07072	5.1
71.04990	1.4
71.53412	1.3
79.05502	12.5
81.07064	41.0
83.04951	0.9
83.08628	7.0
85.06548	0.8
87.04427	0.7
91.05492	5.5
93.07049	11.5
95.04973	1.6
95.08613	39.2
97.06529	4.3
97.10182	3.0
98.98473	100.0
105.07037	3.5
107.08608	11.0
109.06531	1.3
109.10162	18.5
111.04470	0.8
111.08102	2.4
116.99505	1.9
117.07019	1.2
119.08589	3.3
121.09299	1.6
121.10131	11.6
123.11703	7.0
125.09624	1.2
131.08528	3.6
133.10133	8.4
135.08025	1.0
135.11691	7.0
137.09598	1.5
137.13245	2.7
140.01064	1.2
145.10130	2.5
147.11729	2.6
149.13272	2.9
151.11147	3.7
159.11702	2.6
163.11223	1.2
165.12825	1.2
167.10655	1.4
173.13289	2.5
174.99228	6.9
177.12766	0.8
187.14857	0.9
195.13818	1.5
215.17935	7.0
233.15440	1.2
233.19116	3.8
251.16512	2.4
251.17749	0.7
251.20090	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	251.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
55.05517	0.5
56.05042	0.3
56.96567	0.6
57.03440	1.7
59.05002	0.4
60.08164	0.5
67.05511	1.0
67.45396	0.3
68.05026	0.4
69.03439	0.7
69.07090	0.5
70.06596	100.0
71.04979	0.7
71.52234	0.4
72.08160	1.2
77.78162	0.3
79.05508	0.8
81.04552	1.3
81.07054	1.3
82.06607	0.3
84.04513	1.1
84.08170	0.8
85.06566	0.4
86.09743	0.5
87.94426	0.4
91.05478	1.0
93.05510	0.3
93.07052	1.3
94.06554	0.5
95.04971	2.2
95.08610	0.5
96.08186	0.4
97.02904	0.5
98.98472	53.5
105.07062	0.7
107.04926	1.0
107.08588	0.7
108.08097	1.4
109.06554	0.5
113.06004	1.3
116.99477	0.9
117.07008	0.4
119.04961	0.6
119.08585	1.3
121.06509	0.7
121.10149	0.5
122.07147	1.1
123.07984	1.0
124.08710	0.4
126.09170	2.2
130.04967	0.5
131.08502	0.3
132.95816	0.3
134.09660	1.1
136.06166	1.1
136.11234	5.2
136.48465	0.3
136.81111	0.4
137.05894	0.6
137.09627	1.3
138.12784	0.7
145.06514	0.3
145.10202	0.3
146.06024	1.2
147.04399	0.9
147.08008	1.1
155.10686	0.3
163.03958	0.4
163.11096	0.5
164.10716	5.1
165.09143	2.6
174.99219	3.4
177.05463	0.5
182.11778	34.3
189.13162	0.5
192.06512	0.7
203.07036	0.5
223.15503	1.1
233.11865	0.3
233.16618	3.4
251.00124	0.3
251.09958	1.4
251.14824	2.2
251.17616	2.0
251.20114	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1644
Annotation	7-Isobutyryloxythymol methyl ether
Peak:m/z	Relative Intensity
54.49098	0.5
55.01878	0.8
55.05514	2.8
57.03431	1.0
57.07077	2.6
59.05000	2.9
67.05510	6.3
69.03419	2.2
69.07074	3.4
70.06599	0.7
70.80688	0.7
70.81031	1.3
71.05000	32.6
79.05495	5.7
81.03430	2.0
81.07065	8.4
83.04987	7.0
83.08619	2.8
85.06548	2.2
87.91682	0.7
91.05494	4.3
93.07038	7.1
94.07424	0.9
95.04972	8.7
95.08627	6.1
97.06533	5.9
97.10200	0.8
98.98473	100.0
99.04465	0.8
105.03390	1.1
105.04510	0.8
105.07034	6.0
107.04971	1.7
107.08599	7.3
109.06541	3.0
109.10136	4.3
111.08102	1.6
113.05990	1.0
116.99523	2.0
117.07041	2.3
119.08583	4.7
119.79317	0.7
121.06514	2.3
121.10143	9.6
123.08048	3.7
123.11720	2.2
125.06003	19.5
129.06989	0.8
131.08612	3.8
132.66995	0.7
133.06509	1.1
133.10129	3.0
135.08049	1.8
135.11688	2.5
137.09633	3.2
140.01135	1.3
143.08606	0.9
145.10124	6.2
147.08038	2.9
147.11670	1.8
149.09660	5.6
149.13304	1.1
151.07576	4.7
151.11105	0.8
157.10149	0.8
158.99644	0.9
159.08116	1.2
159.11710	2.0
161.13281	0.9
163.11198	25.6
165.09190	1.0
167.10667	0.9
173.13249	1.8
174.99297	4.8
175.11098	1.7
177.09132	1.9
181.12236	13.2
187.11220	0.8
187.14914	1.9
189.12901	1.1
191.14339	1.1
193.12227	1.1
195.10204	1.8
197.13251	1.0
205.12224	1.2
205.15811	0.9
215.14357	2.3
215.17868	1.6
233.06107	0.7
233.11719	1.4
233.15353	9.5
233.18985	1.0
251.16443	49.6
251.20229	1.8
251.23886	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1644
Annotation	Canusesnol A
Peak:m/z	Relative Intensity
53.03944	2.0
55.05513	7.4
57.07074	7.2
58.42051	1.0
59.05008	5.5
67.05506	11.9
69.03428	7.4
69.07076	7.8
70.16648	4.2
71.01366	1.3
71.04993	28.7
79.05496	9.1
81.03414	1.7
81.07061	13.9
83.04987	7.7
83.08617	6.7
85.02925	2.5
85.06562	6.8
91.05487	10.4
93.07059	12.5
95.04976	12.3
95.08604	13.4
97.06539	13.7
98.20902	1.6
98.98472	100.0
99.04445	1.4
105.07047	11.3
107.04957	3.8
107.08611	13.0
109.06519	5.7
109.10163	12.0
111.08094	6.0
113.06012	6.1
116.99471	1.2
117.07054	4.4
119.08591	23.4
121.06499	4.7
121.10150	21.8
122.07289	1.1
123.08053	8.4
123.11736	6.6
125.05980	14.1
125.09619	2.0
127.07594	1.2
127.11140	1.4
129.06985	2.1
131.08566	9.6
133.06512	2.3
133.10126	9.4
135.08063	3.7
135.11705	6.6
137.06023	2.2
137.09630	28.1
137.13203	1.1
139.07607	1.1
142.07732	1.2
143.08556	1.3
145.10132	16.4
147.08057	43.5
147.11703	9.3
149.09645	9.4
149.13272	2.2
151.07578	4.9
151.11192	4.1
151.14912	1.9
153.09114	1.7
155.10678	2.5
157.10146	3.6
159.08075	2.3
159.11696	3.3
161.05991	1.4
161.09616	2.6
163.07478	1.2
163.11195	36.0
163.12561	2.2
163.14845	3.2
165.09097	2.6
165.12828	1.1
171.11644	1.3
173.09637	2.9
173.13286	7.4
174.99265	5.3
175.11180	10.2
177.05354	1.5
177.09123	2.0
179.14299	12.6
181.12219	9.4
187.11169	1.4
187.14899	5.2
189.12717	2.2
191.10719	1.8
191.14282	7.7
193.08600	1.1
193.12294	3.7
195.10217	2.0
197.13289	1.4
205.15941	4.7
207.13814	4.2
215.10757	2.1
215.14313	9.4
233.11819	1.6
233.15392	41.0
233.18961	2.4
251.12556	75.7
251.16457	58.5
251.20094	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	251.1643
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
53.03950	1.3
55.01880	1.4
55.05516	5.1
56.05808	0.5
56.96562	1.0
57.03437	0.8
57.07070	0.7
59.04995	1.7
60.42162	0.5
62.88807	0.5
65.03956	0.8
67.05508	18.2
69.07075	5.2
71.05002	1.7
71.53511	0.8
79.05495	15.3
81.03425	4.4
81.06581	1.1
81.07061	19.4
83.04972	1.9
83.08627	2.1
83.81943	0.6
85.06565	1.3
90.97452	0.5
91.05488	20.7
93.07049	10.9
95.04971	6.5
95.08612	12.1
95.09053	0.3
97.06536	1.9
97.10227	0.7
98.98473	100.0
103.05475	1.7
105.07037	16.7
107.04966	5.5
107.08607	5.6
109.06533	5.7
109.10150	6.8
113.06014	0.6
115.05432	0.9
116.99505	2.3
117.07019	8.7
119.08596	12.3
119.09467	0.8
121.06538	3.6
121.10149	2.6
123.08087	2.0
123.11716	2.2
123.93208	0.6
129.07013	2.5
131.08575	13.4
133.06523	1.6
133.10156	4.2
135.08070	1.9
135.11742	1.0
137.09625	1.3
140.01097	1.2
141.07001	1.3
143.08548	2.0
145.06477	0.8
145.10146	4.4
147.08015	1.3
149.09651	1.9
155.08569	2.1
159.11696	1.5
163.98489	0.6
169.10103	1.5
171.11670	3.3
173.13264	2.5
174.99254	5.8
187.11252	0.9
187.14873	3.2
188.76292	0.5
197.13303	2.8
200.11888	0.6
205.15913	1.9
208.26260	0.7
215.14346	2.5
233.15366	15.4
251.16400	6.5
251.20218	3.7
269.10648	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01860	4.2
55.05523	4.1
56.96566	43.9
57.03438	6.9
58.73785	0.8
59.04986	1.1
60.04510	1.3
60.95854	3.2
61.02933	7.2
63.05627	0.8
67.05516	1.3
68.96539	0.8
69.03082	1.0
69.03431	13.8
69.07066	0.9
70.06596	3.0
70.98106	1.7
71.01325	0.9
71.04979	3.5
71.53330	0.9
71.95267	1.3
72.08153	7.8
72.96042	1.1
73.02913	8.0
73.06553	3.4
74.06073	1.2
74.97644	1.2
81.03422	8.5
82.01426	1.1
83.04990	1.0
84.04496	1.7
84.08115	3.9
84.96027	5.8
85.02909	28.1
85.06535	1.0
86.09696	1.3
87.04471	4.3
89.02579	1.8
91.03954	1.2
91.05466	1.0
95.04977	1.3
96.98658	0.8
97.02892	20.6
97.96786	2.1
98.03137	5.3
98.97582	100.0
98.98460	31.1
99.04450	3.8
100.02428	1.7
100.99149	5.8
101.00812	2.0
102.96861	3.8
103.00593	1.5
107.03602	1.2
107.04962	2.7
109.02878	6.1
110.01278	1.1
110.03120	2.4
110.07227	0.8
110.97562	9.1
112.07612	0.9
112.85624	0.7
112.99153	9.8
115.00709	5.5
116.03134	1.0
116.98624	27.4
116.99454	1.9
117.03871	2.5
118.01046	1.1
119.00194	1.8
119.01840	6.3
119.03628	2.1
119.04943	1.2
120.97900	1.2
121.02853	1.5
122.03129	0.9
123.03783	1.1
124.02760	0.9
124.99096	3.7
125.01764	1.6
125.03626	3.6
125.99101	1.0
126.04411	1.3
127.00659	2.1
127.03931	6.1
128.02296	1.0
128.98608	9.0
129.02263	1.3
129.03824	0.9
130.08633	1.5
131.00168	10.1
131.01819	1.7
131.03627	3.4
132.02588	0.9
132.04443	1.9
132.97842	1.2
133.01691	2.4
134.02277	1.6
134.06052	3.1
134.99692	5.6
136.06210	1.2
136.07559	1.0
139.95734	0.8
140.00270	1.6
140.02339	1.1
140.04124	2.3
140.98618	1.6
141.02219	1.2
141.10257	0.9
143.00182	14.7
143.01910	1.2
144.98128	1.6
145.01694	5.1
145.04958	3.1
146.02336	1.7
146.04193	1.7
146.06046	1.1
146.99661	6.2
147.03236	2.3
147.04308	1.1
149.01231	8.5
149.04614	0.9
152.04195	1.2
152.07066	4.8
153.55742	1.0
154.03886	3.5
155.00154	1.6
155.02827	1.4
155.04652	9.5
157.01715	1.6
158.99644	9.6
159.01633	1.2
159.03276	7.0
160.56662	1.4
161.01234	9.8
161.02696	1.4
161.03169	1.6
161.04626	20.3
161.06667	1.9
161.54788	1.7
162.03572	1.0
162.05339	1.1
162.99069	1.4
163.02718	6.2
163.04333	4.3
164.05132	3.6
165.00710	3.6
167.02480	1.1
168.01752	0.9
169.54514	1.4
169.57123	1.0
170.05161	45.5
170.55305	1.2
170.99712	1.2
172.03110	1.0
172.99329	1.9
173.01219	3.6
174.99226	2.6
175.02646	1.0
175.04485	1.1
177.00768	3.9
177.04333	13.0
177.05771	1.5
178.57736	1.0
179.02266	2.2
179.05728	1.9
181.03778	1.4
181.56003	1.7
182.99704	1.2
184.04712	0.9
186.04578	1.6
186.99081	3.3
187.00645	1.1
187.02725	1.2
189.00658	4.3
190.98663	1.0
191.02269	7.6
191.03922	2.2
191.05653	1.1
192.03102	2.8
193.03683	1.2
193.09499	10.1
195.05424	3.4
196.00894	5.2
197.03947	1.1
200.04353	1.0
201.00725	2.7
201.03758	1.2
203.07558	1.0
205.00189	3.5
205.03871	2.6
206.04393	2.4
206.06224	3.2
207.01808	4.1
207.05244	1.3
208.99492	1.7
209.03323	20.2
214.02090	2.0
216.12520	1.8
219.01750	5.2
219.05406	3.0
221.04875	1.1
223.04807	1.4
227.00566	1.8
227.04370	9.0
228.02171	3.3
231.05185	1.1
233.03174	4.3
233.06882	2.0
233.09282	1.7
237.02782	9.5
239.53108	1.4
242.07317	15.9
250.58966	2.2
251.04399	30.1
251.07814	22.1
251.10272	7.3
251.13681	9.5
251.16193	3.1
251.57930	1.5
269.05472	16.8
270.05911	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
55.05510	2.5
56.05039	1.2
56.87896	0.8
57.03440	10.7
57.19470	0.9
59.78233	1.0
67.05502	1.5
68.05032	1.8
70.02955	1.2
70.06606	4.5
70.73335	2.3
70.83290	1.0
79.05502	11.2
81.07063	3.3
82.06580	1.2
83.81928	0.8
86.06052	2.0
87.08136	2.2
88.07640	6.7
91.05489	8.8
93.07045	2.0
94.06572	3.4
95.08620	1.9
98.98481	9.4
101.06031	14.3
105.07041	27.9
106.06565	3.0
107.04958	1.2
107.08595	13.3
109.06514	1.7
117.05720	1.1
119.06113	1.1
120.08105	2.3
121.02975	0.9
122.06064	1.7
124.07565	1.1
131.08571	3.3
132.08139	5.4
133.06511	7.2
133.08907	4.3
134.06032	1.5
134.09619	1.8
136.11218	1.7
148.07642	2.0
148.11226	7.4
150.09129	1.3
152.14348	2.7
153.14688	5.4
161.08366	2.4
166.12292	13.1
167.27371	0.9
176.10718	100.0
178.08652	3.3
188.65804	1.1
194.11778	96.1
232.13362	4.2
250.07230	1.0
250.14398	11.8
250.18259	2.0
250.21426	1.8
250.23552	6.4
250.25821	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64439	0.5
53.03952	0.7
55.01850	0.6
55.05514	2.9
55.84777	0.5
56.05033	0.8
57.07070	0.8
59.04988	1.6
60.06102	0.5
63.68818	0.5
67.05514	2.7
69.03432	2.6
69.07067	1.4
69.16667	3.1
69.17087	2.1
70.06596	8.9
71.05000	0.8
72.08155	3.4
75.11806	0.5
79.05503	2.4
81.03406	1.8
81.07055	3.8
82.06557	0.6
83.08620	1.2
83.32317	0.5
84.08148	5.4
85.02936	2.4
85.06559	0.7
86.79470	0.5
87.05622	0.5
91.05482	1.9
93.07054	3.0
94.02410	0.5
95.04973	1.6
95.07350	0.5
95.08600	2.7
96.08134	0.7
97.02905	1.0
97.06508	0.6
98.09692	5.6
98.20772	0.9
102.41385	0.5
105.03378	1.1
105.07053	2.4
107.04926	0.5
107.08589	2.4
108.08112	5.0
109.02891	1.2
109.06583	0.6
109.08923	0.5
109.10154	1.1
110.09686	8.5
111.08080	0.7
115.05440	0.8
116.98636	0.6
117.53638	0.5
118.42204	0.5
119.08578	1.8
120.08122	0.5
121.06480	0.5
121.10131	2.5
122.09676	0.7
122.97728	0.5
123.08100	0.6
123.10421	3.6
124.11288	0.7
127.03937	1.4
128.06203	0.7
129.07033	2.7
131.08578	1.8
133.10121	1.9
135.11670	1.0
142.07831	0.6
143.08568	0.8
144.05644	0.6
145.06470	0.8
145.10121	0.7
147.11676	1.2
149.13309	0.8
150.12802	1.6
152.14349	100.0
153.19800	0.5
157.06453	0.7
157.10114	0.8
159.08032	1.9
161.05927	0.6
161.09621	1.4
161.13281	0.7
164.34978	0.5
170.07262	0.6
171.08093	0.5
172.82773	0.6
175.07498	0.6
178.15912	3.1
180.17476	1.6
187.07559	1.7
189.05559	0.6
189.09138	1.3
189.16422	0.9
204.07823	1.0
206.19043	1.0
231.13814	1.4
231.17418	1.1
249.11189	9.2
249.14658	2.6
249.18633	3.3
249.23277	92.2
249.53429	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.2326
Annotation	Dihydrodeoxycernuine
Peak:m/z	Relative Intensity
53.03942	0.5
54.01493	0.3
54.96470	0.3
55.01876	0.6
55.05511	3.1
56.34428	0.3
56.96561	0.6
57.03454	0.5
57.07072	0.5
59.05009	0.5
67.05525	1.6
68.05036	0.5
69.03439	2.9
69.07076	1.0
70.06598	8.6
71.04996	0.7
71.53716	0.4
72.08167	3.6
73.02927	0.5
74.59854	0.3
79.05494	2.3
81.03428	1.3
81.07062	2.9
82.06579	0.5
83.05004	0.5
83.08603	1.3
84.08146	3.3
85.02917	2.7
87.00842	0.9
91.05493	1.5
93.07044	2.2
94.06567	0.5
95.04971	2.5
95.07379	0.6
95.08604	1.2
96.08147	0.4
97.02887	1.5
97.06535	0.5
98.09698	4.1
98.97596	0.9
99.04475	0.7
99.09241	0.3
105.07033	1.3
107.08602	1.6
108.08131	4.9
109.02880	0.8
109.06560	0.6
109.08931	0.4
109.10161	0.7
110.09696	10.5
111.08112	0.4
115.05463	0.3
116.91084	0.4
119.08577	1.1
120.08121	0.4
121.10156	1.1
122.09698	0.5
123.04439	1.1
123.10461	3.5
124.11239	1.2
127.03933	2.2
129.07002	1.4
131.08571	1.3
133.06491	0.6
133.10146	1.1
135.11676	0.8
137.05954	0.4
137.09631	0.4
141.06999	0.5
143.08577	0.6
144.05685	0.7
145.10123	0.6
147.03047	0.3
147.11670	0.7
149.01218	0.4
149.02411	0.4
150.12772	1.9
152.14357	100.0
153.01830	0.5
153.14632	0.4
157.06459	0.5
159.08087	1.1
161.05978	0.5
161.09711	0.5
161.13287	0.3
171.08113	0.5
178.15965	3.4
180.17493	0.9
187.07547	1.2
189.09082	0.4
203.07114	0.4
203.10493	0.3
204.07828	0.8
206.19006	0.5
207.13881	0.9
213.16426	0.6
231.10083	0.4
231.13799	0.5
231.17322	0.5
232.20645	0.7
249.09074	0.7
249.11319	5.4
249.14775	1.9
249.18558	2.5
249.23285	83.1
250.09584	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1851
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
51.02381	1.0
53.03948	6.5
55.01875	0.6
55.05513	2.8
57.07067	0.5
59.04994	1.7
65.03938	1.3
67.05510	26.1
69.03434	0.7
69.07076	4.1
69.75863	1.9
71.05018	0.9
73.06562	0.8
77.03930	2.2
79.05497	36.0
81.03419	0.6
81.07059	9.7
83.04980	0.5
83.08618	1.6
85.06554	2.1
91.05486	39.8
93.07050	100.0
95.04978	7.5
95.08610	8.8
97.06549	1.2
98.20734	0.5
99.08094	1.0
101.06017	0.9
105.04534	3.7
105.07037	6.4
107.07867	1.0
107.08600	18.5
109.06512	0.5
109.10178	3.0
115.07571	0.8
117.07028	3.1
119.08591	10.4
119.74706	0.5
121.06515	0.9
121.10149	32.2
123.08071	0.8
128.06194	0.6
129.07092	1.1
131.08571	4.2
133.10135	14.8
135.08063	4.3
135.11697	5.4
137.09618	1.5
141.35550	0.5
143.08583	2.0
145.10185	1.7
147.11684	1.3
149.09641	1.3
151.11229	3.0
157.10135	2.5
158.99329	0.6
161.09601	1.1
161.13254	0.7
167.10802	0.7
171.11674	2.1
173.13274	2.1
175.11327	0.5
175.14821	5.6
183.13705	0.5
189.12741	1.5
189.16409	4.1
199.14825	9.0
217.15895	7.6
249.18503	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	249.185
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
51.02369	1.1
53.03951	6.4
55.01880	0.9
55.05508	4.0
59.05001	1.9
65.03931	1.2
67.05508	25.1
69.03441	0.7
69.07076	3.8
70.07771	2.1
70.46011	0.4
71.05009	0.6
77.03920	1.3
79.05498	36.6
81.07065	10.4
83.04988	1.2
83.08623	2.1
85.06522	2.4
89.34058	0.4
91.05487	42.2
93.07048	100.0
95.04970	7.0
95.08614	8.8
96.52009	0.5
97.06545	1.2
97.10143	0.8
99.08118	1.2
101.05985	0.5
105.04517	3.3
105.07034	7.6
107.04947	0.7
107.08600	18.6
109.06551	1.2
109.10160	3.5
109.28614	0.4
109.52884	0.5
115.07598	0.5
117.07040	3.7
119.08583	10.7
119.09367	0.8
121.06475	1.3
121.10150	32.2
123.08056	0.8
127.07608	0.7
129.07004	1.7
131.08549	5.8
133.10136	14.3
135.08083	3.4
135.11700	6.5
137.09598	1.7
143.08594	2.3
145.10133	1.9
147.04404	1.2
147.11691	1.9
149.09579	1.1
149.13272	0.5
151.11198	3.1
157.10129	3.1
161.09587	0.8
161.13261	1.1
171.11635	2.5
173.13257	1.9
175.11205	0.7
175.14835	6.1
189.12756	1.1
189.16350	4.0
199.14821	9.2
203.17947	0.7
217.15891	7.8
218.02998	0.5
249.11295	0.7
249.14670	0.9
249.18515	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	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03939	1.1
55.01870	0.8
55.05509	0.5
57.03422	0.7
59.04975	0.4
67.05494	1.2
69.03433	5.2
70.68182	0.8
70.68519	0.7
71.05001	0.6
73.02900	0.8
79.05495	1.3
81.03438	2.5
81.07072	1.1
85.02917	5.4
87.00831	2.4
91.05486	5.6
91.41885	0.5
93.07018	0.8
95.04970	1.5
95.08620	0.8
97.02894	3.1
98.97604	0.5
99.04487	1.9
103.05435	1.2
105.01868	0.4
105.07034	2.6
107.04958	1.5
107.08611	0.8
109.02871	1.9
109.06511	0.4
115.05444	3.6
116.06256	2.4
117.07026	1.8
118.07814	0.5
119.04951	0.5
119.08590	0.8
121.06541	0.7
121.07453	0.4
121.10141	0.5
127.03957	3.6
128.06223	6.9
128.66893	0.4
129.07018	15.1
130.07756	1.0
131.04945	1.0
131.08582	13.4
132.05719	0.6
133.06522	2.5
133.10126	1.8
135.04448	0.6
137.09610	0.6
139.05353	0.5
141.06996	7.0
142.07814	3.1
143.04926	0.5
143.08578	3.4
144.05727	7.4
145.04955	0.6
145.06502	4.5
145.10130	0.7
146.07271	2.3
147.04387	1.0
147.08047	0.6
152.06181	0.4
153.07004	2.1
155.06052	1.5
156.05714	1.8
157.06516	6.9
158.07275	1.5
159.08067	22.3
160.05161	1.1
161.05992	3.2
161.09636	7.3
167.07025	0.8
169.06458	1.2
169.07649	3.0
170.07283	6.7
171.04474	0.6
171.08078	5.0
171.09370	0.6
172.05222	2.1
173.06000	2.9
173.27296	0.4
174.06737	1.7
175.07547	2.0
178.06281	0.5
184.05260	0.5
185.06012	0.8
187.07567	15.7
188.08295	0.6
189.05510	2.7
189.09138	7.3
190.06268	1.1
191.07120	1.0
193.08586	0.5
198.06787	1.5
199.07617	1.9
201.05550	1.1
203.07051	4.5
204.07831	9.9
205.08597	2.0
206.09474	0.9
207.13728	0.5
207.60506	0.7
216.07837	3.4
217.08658	0.8
218.09462	1.1
219.10271	2.1
221.08180	0.8
221.11732	2.7
231.10149	5.4
231.17360	0.5
234.08893	0.9
249.11244	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62871	3.6
50.77314	3.8
55.01852	4.4
56.37553	3.9
70.01582	17.7
70.01938	6.6
85.02928	9.4
98.97588	21.9
101.00895	8.6
101.02428	5.5
116.98630	4.0
119.01902	9.4
128.03416	7.3
167.72572	4.1
174.03975	6.0
177.02299	4.2
207.01912	5.0
228.05795	6.1
249.03752	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1646
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
69.75262	0.3
69.75668	0.6
82.16125	0.1
91.05512	0.2
93.07031	0.2
95.37138	0.1
118.06548	4.5
119.07259	0.2
119.08672	0.2
119.18382	0.1
131.07312	0.2
131.36380	0.1
132.08083	1.9
133.08919	0.4
134.09650	0.5
144.08092	0.5
146.09647	2.0
147.10379	0.2
158.09631	0.2
160.11247	0.6
174.12788	1.1
176.14354	11.5
190.08640	11.2
191.09213	0.2
202.08546	0.2
202.15919	2.3
203.16693	1.0
204.10207	5.9
205.11049	1.8
206.11826	0.2
218.11758	4.3
227.69261	0.1
232.13251	0.4
236.65778	0.2
248.16466	100.0
249.16759	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08167	61.0
70.67584	1.1
70.67939	0.5
91.05488	1.0
92.68429	0.5
115.05442	1.3
116.56914	0.6
117.07021	1.3
118.06550	21.1
142.06483	1.6
143.07281	2.1
144.08102	14.2
146.06013	61.5
170.06068	4.6
188.07069	100.0
189.07275	0.9
198.55487	0.5
247.14435	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	247.129
Annotation	SCHEMBL2565347
Peak:m/z	Relative Intensity
52.15588	1.4
55.01899	1.6
55.05495	5.3
56.05033	13.7
56.96554	6.1
57.07069	1.8
60.04221	2.2
60.04528	43.5
63.07328	1.4
69.03419	4.3
69.07048	5.7
70.02943	5.5
70.06590	14.5
70.98108	2.6
71.05001	9.3
71.06905	1.5
71.52994	1.6
72.04517	10.3
72.08157	7.2
73.02924	11.3
74.02435	4.4
74.06078	24.6
76.95441	1.3
81.03403	2.2
81.07077	2.2
84.04499	3.1
84.08150	1.7
85.02892	4.9
85.06529	6.4
86.09213	2.6
86.09706	29.8
88.03995	10.1
88.07619	12.1
88.99160	1.8
90.05554	100.0
95.04986	2.3
96.08127	4.8
97.02879	1.9
98.02404	5.7
98.06052	18.5
98.97580	5.6
99.04447	4.8
100.03981	8.6
102.05551	4.1
106.06563	1.6
110.02353	3.4
110.06056	3.6
112.07586	4.7
114.09154	2.1
115.08667	2.0
116.07092	89.4
119.08595	1.6
120.06552	9.0
124.07592	27.3
126.07984	1.3
127.03909	1.7
127.08659	2.8
128.03441	1.5
128.06232	2.9
128.07091	31.4
128.08034	1.0
128.98631	3.2
130.08644	80.6
132.10172	12.5
136.51328	1.6
140.07050	2.8
141.10219	4.2
146.99611	4.4
148.06165	2.1
158.04349	3.6
158.08124	70.9
158.99693	3.0
165.00681	1.9
166.08632	4.4
167.57138	1.6
169.09784	2.2
170.08141	15.0
171.12068	2.0
182.99599	2.7
184.09683	1.8
185.16493	4.2
187.10789	19.5
188.07431	2.4
188.09184	42.1
201.00735	3.5
201.12335	18.1
203.11075	2.3
205.00154	3.6
205.11826	1.6
212.09181	5.1
223.01231	3.3
224.54890	1.6
226.57559	3.4
229.04843	1.8
229.11859	20.3
230.10182	5.1
247.05904	3.2
247.12944	41.7
247.16684	1.9
266.09763	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	247.1079
Annotation	N-(3-Indolylacetyl)-L-alanine
Peak:m/z	Relative Intensity
55.01856	1.1
55.05495	1.0
56.05040	5.4
57.03432	1.8
57.07060	1.0
57.62727	0.6
58.06604	0.7
60.08166	60.6
60.57739	0.6
61.73459	0.6
63.00417	0.7
65.93791	0.6
67.05486	2.2
67.33413	0.6
68.05054	3.9
68.05375	1.1
69.03435	3.5
69.07056	1.3
70.06594	6.7
71.04974	2.1
71.15765	1.4
72.08151	1.6
74.02415	0.9
74.06075	2.4
79.05511	1.5
81.03428	1.0
81.07059	5.2
83.04964	1.5
84.04491	3.2
84.08143	1.1
84.82678	0.5
85.02882	2.5
85.06537	1.4
86.09705	1.4
91.05482	2.3
93.07029	1.4
95.04950	0.8
95.08583	0.7
97.02914	1.4
98.97591	0.9
99.04447	0.8
102.05547	13.0
103.05462	0.9
105.07043	0.9
106.05053	0.8
109.06506	4.4
109.10123	0.7
111.04415	0.8
114.05539	3.3
115.05431	3.3
116.07115	1.4
117.07026	2.0
118.05700	1.3
118.06544	27.8
119.08654	0.9
121.02844	1.6
121.10158	0.7
124.07580	0.7
125.02399	1.0
127.07552	1.4
129.07042	0.9
130.06528	35.0
131.08611	1.1
132.04472	13.5
132.08067	3.3
133.06503	1.1
135.08099	1.0
137.05975	4.6
142.06549	4.3
143.07355	3.6
143.08389	1.1
144.08081	15.6
145.06554	1.2
146.06013	74.7
148.07532	0.9
153.01886	2.2
155.07057	1.1
156.08075	0.8
157.07648	3.4
158.06018	100.0
159.07988	0.7
159.11682	0.9
160.07610	12.7
161.05893	0.9
170.06012	5.3
173.08116	2.2
173.09523	0.7
174.09148	0.8
175.07367	0.9
175.08705	8.1
176.07135	2.3
177.05505	0.9
184.07590	1.9
185.03798	0.9
186.05414	1.1
188.07072	94.1
189.09055	0.6
201.10240	86.7
203.04935	1.2
203.11856	0.7
204.06599	2.6
229.08606	1.1
247.06100	3.9
247.10811	95.4
247.14691	4.8
263.98926	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.8
56.96575	1.7
57.07071	1.4
59.59364	1.0
67.05515	6.2
69.07077	7.1
69.80383	4.6
70.06613	1.1
71.04982	2.4
79.05492	1.3
81.07045	2.4
88.07644	2.0
91.05501	1.8
93.07036	1.9
94.07399	0.9
95.04960	7.2
95.08618	4.6
98.20802	1.0
101.06058	1.0
105.07017	1.5
107.08553	1.1
109.10165	100.0
119.08619	4.7
121.06573	2.0
123.11721	12.7
127.11201	41.8
133.10138	5.8
137.09656	10.2
146.06084	1.1
151.11189	2.6
155.10689	7.7
161.09657	8.5
173.11748	7.5
179.10680	25.5
182.09715	1.7
183.13821	2.6
196.10493	0.9
197.11748	56.0
200.10635	2.0
211.13297	21.0
228.10287	3.4
229.14435	3.6
246.11226	2.4
246.15160	1.8
246.18614	3.7
246.20761	1.8
246.24289	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	246.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
55.05507	0.6
56.05027	0.2
56.96553	0.3
57.03435	0.3
59.18702	0.2
66.04272	0.2
67.05503	0.3
69.03452	0.3
69.07066	0.3
69.65586	0.9
69.66000	0.3
70.06598	14.1
71.04977	0.6
72.08150	0.5
72.93788	0.3
73.02905	0.2
74.02446	0.2
79.05471	0.3
81.07046	0.6
82.06591	0.2
83.04941	0.3
84.04492	0.7
84.08131	0.8
85.02915	0.2
86.09713	0.3
88.03998	0.2
89.33340	0.2
90.94826	0.4
91.05467	0.3
95.60283	0.2
96.08144	0.4
97.02868	0.3
97.06505	0.3
98.06023	0.3
98.97596	0.3
100.07619	0.7
103.05463	0.2
109.02901	0.3
110.09724	0.2
111.04429	0.5
112.04765	0.4
114.05542	0.4
121.06513	0.2
124.11237	11.9
124.90303	0.2
125.06006	0.4
128.03423	0.4
128.07072	0.5
128.49820	0.2
138.05540	0.2
139.03867	0.7
140.04239	1.0
142.12282	0.9
147.04434	0.4
157.07585	0.3
159.06390	0.2
170.11775	100.0
171.06487	0.5
171.12166	0.3
172.06883	0.2
174.03996	1.2
182.05966	0.3
200.07141	0.3
200.08929	0.3
202.14407	0.4
209.36481	0.2
214.14418	2.4
228.12318	0.3
228.16100	0.3
239.97231	0.2
246.07744	0.4
246.10933	0.5
246.13322	0.5
246.16988	0.5
246.24335	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.2
53.05716	0.2
55.01869	0.5
55.05508	0.8
55.69027	0.2
56.05041	0.4
56.96573	0.4
57.03450	0.4
58.06580	0.3
60.05639	0.3
61.79436	0.2
67.05527	0.3
68.05036	0.6
69.03455	0.3
69.07069	0.4
70.06602	15.3
71.04996	0.4
71.53497	0.3
72.04521	0.3
72.08160	0.7
72.93811	0.3
73.02916	0.7
74.02443	0.3
75.01184	0.2
79.05492	0.6
81.03426	0.3
81.07075	0.7
82.06564	0.5
83.04977	0.3
83.08616	0.2
84.04505	1.5
84.08133	0.8
85.02914	0.7
86.06067	0.3
86.09710	1.2
87.05583	0.3
88.03989	0.4
90.94830	0.2
91.05486	0.6
95.04891	0.2
96.08156	0.7
97.02896	0.3
97.06536	0.4
98.06042	0.4
98.97610	0.6
100.07617	0.5
100.11281	0.3
101.11603	0.3
102.05512	0.2
103.05487	0.2
109.02862	0.2
110.06071	0.3
110.09701	0.7
114.05556	1.0
114.06573	0.2
116.07090	0.5
116.97203	0.5
116.98679	0.3
119.04949	0.3
124.07604	0.3
124.11243	15.2
125.06011	1.3
128.03424	0.8
128.07068	0.7
129.10269	0.4
130.05014	0.8
130.06551	0.4
132.10194	0.6
138.09177	0.5
139.03905	0.3
141.10268	0.5
141.98015	0.3
142.05048	0.8
142.12265	0.9
147.04401	0.4
156.10175	0.7
156.13828	0.3
157.03217	0.3
158.06007	0.3
158.08005	0.2
170.11783	100.0
174.04015	2.2
182.06059	0.2
184.09663	0.6
184.13327	0.3
200.07156	0.7
201.12378	0.4
202.10777	3.2
202.14494	0.6
214.14424	3.2
218.70477	0.2
228.04872	0.3
228.12265	0.3
228.16048	0.3
246.09692	0.3
246.11270	0.3
246.15082	0.4
246.17021	0.6
246.24353	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1861
Annotation	Ile Ile
Peak:m/z	Relative Intensity
50.09496	0.3
59.24027	0.3
69.07061	0.5
70.58167	0.5
70.58501	0.4
76.03336	0.3
76.67999	0.3
79.05508	0.3
81.07077	0.3
84.57327	0.3
86.06057	0.4
86.09712	100.0
95.08610	0.4
98.20830	0.4
98.97568	0.4
115.07600	0.3
132.10216	3.4
135.11702	0.3
199.11151	0.4
199.18120	1.6
245.04466	0.5
245.08037	0.4
245.18648	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	245.1173
Annotation	5-Hydroxybisphenol A
Peak:m/z	Relative Intensity
53.03952	2.8
54.07915	0.5
55.01881	3.4
55.05519	3.0
57.03438	0.6
65.03933	0.9
67.01845	0.9
67.05520	3.0
69.03086	1.0
69.03432	15.5
69.03809	0.8
69.07069	1.1
70.44682	1.7
71.01379	0.6
77.03912	0.7
79.05495	5.7
80.01913	0.5
81.07069	5.6
83.04970	2.3
85.06564	0.6
85.86893	0.6
87.04463	2.6
91.05488	11.1
93.07039	5.1
95.04964	5.0
95.08577	1.7
97.02888	7.3
97.06548	3.3
98.97609	0.7
105.07045	7.7
107.04954	1.5
107.08595	8.8
109.02882	8.0
109.06526	2.7
109.10201	0.7
111.04420	2.0
115.05454	3.1
116.06230	1.3
117.07011	3.6
118.47991	0.5
119.04932	1.0
119.07787	1.0
119.08576	10.5
121.06523	8.3
121.10146	1.7
123.04433	5.2
123.08066	1.3
128.06226	6.9
129.07008	8.1
130.07773	1.6
131.04866	0.6
131.08583	7.6
132.05704	0.6
133.06483	2.0
133.10117	1.7
135.04367	0.9
135.08061	17.8
137.05963	1.8
139.03918	0.7
141.06982	8.3
142.07793	13.1
143.08562	16.9
144.05722	1.4
144.09315	1.2
145.06471	5.1
145.10101	3.2
146.07272	1.6
147.08047	7.8
147.11673	1.9
148.08792	1.8
149.05957	1.0
149.09601	2.4
152.06064	1.1
153.07016	4.2
154.07784	1.2
155.06053	0.6
155.08557	4.7
156.09354	25.0
157.06523	2.8
157.10132	19.6
158.07272	5.6
158.10904	0.9
159.08055	8.7
159.11710	3.9
160.08847	1.5
161.05988	1.6
161.09607	2.1
163.07587	2.4
165.07034	4.2
166.07787	7.0
167.03415	1.2
167.08568	2.2
168.09331	3.1
169.06441	5.4
169.07643	0.6
169.10165	2.3
170.07309	3.2
171.08055	10.7
171.11687	17.0
172.08833	2.8
173.05959	1.0
173.09630	5.0
173.13297	1.4
174.06647	0.7
174.10432	0.9
175.07576	4.7
175.11230	2.7
181.10118	9.3
182.07243	0.8
183.07964	2.7
183.11678	2.5
184.07216	1.0
184.08836	15.1
185.06032	1.0
185.09619	31.0
185.13252	1.9
186.10402	4.5
187.07570	1.4
187.11212	2.2
187.14818	0.7
188.08310	1.9
189.09102	2.1
189.12743	2.7
194.07298	1.1
195.07983	0.5
197.05940	3.4
197.09610	1.8
199.07474	1.6
199.11186	47.9
200.11861	1.0
201.09074	0.9
201.12744	2.7
202.09814	0.7
203.06952	0.9
203.10674	19.1
209.09653	9.4
211.07494	1.2
212.08324	12.3
215.07115	0.8
215.10692	2.2
217.08661	1.3
217.12206	10.5
227.10669	33.2
245.11736	100.0
245.15219	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
55.05512	1.0
55.68960	0.2
55.93517	0.3
56.96567	0.8
58.06596	0.4
58.99594	0.3
67.05500	0.3
68.05045	0.6
69.03444	0.4
69.07066	0.5
70.06593	0.8
70.10479	1.1
71.04980	0.4
72.08159	0.7
72.93780	0.6
76.02219	0.9
79.05055	0.4
79.05489	4.1
80.05006	0.5
81.05341	0.3
81.05801	3.0
81.07061	3.8
82.06586	0.5
83.05013	0.4
84.04510	3.5
84.08151	0.7
85.02881	0.4
86.06057	0.4
86.09708	0.5
90.94821	0.7
91.05444	0.3
94.06576	1.7
96.04501	1.0
96.08139	15.3
97.02905	0.4
98.97573	0.9
99.20438	0.3
102.05559	0.3
105.00062	0.3
106.06554	2.5
107.04977	0.6
110.09711	0.3
111.05552	0.4
113.03500	0.7
114.05547	1.3
116.07082	0.5
116.98606	0.4
117.30390	0.3
119.01909	0.3
120.08174	0.3
122.02735	1.9
122.06064	0.5
124.07599	100.0
125.07904	0.4
127.03886	0.3
130.05003	3.7
132.08084	0.3
138.09131	0.4
139.03917	0.6
142.05032	1.2
144.10168	0.3
149.96127	0.4
155.11833	0.5
156.04788	14.5
158.06339	0.4
160.19124	0.2
167.97179	0.5
171.06598	0.4
172.97749	0.7
184.09740	2.8
199.09015	9.0
201.12331	4.5
202.10704	0.3
204.97293	0.2
211.81833	0.2
227.14061	0.4
228.06860	1.3
245.04448	0.5
245.09592	12.8
245.15068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0059
Annotation	Unknow
Peak:m/z	Relative Intensity
66.37890	8.0
69.03435	8.7
69.44211	7.6
69.44521	61.3
70.06581	8.3
84.04513	36.2
84.08139	14.1
87.32166	7.0
101.00895	44.8
101.61437	8.5
112.05064	10.6
113.03529	7.9
116.07106	19.8
119.01897	43.2
127.02393	9.5
130.05011	26.4
131.02019	9.1
143.01872	15.0
145.03471	17.8
155.01909	22.2
157.03397	14.0
161.02988	18.8
167.02003	14.0
173.02975	20.2
179.01849	8.3
185.03000	37.5
197.02957	18.4
199.14334	12.4
201.12398	9.2
245.00371	10.4
245.05122	22.9
245.07767	11.2
245.11469	16.4
245.14983	100.0
258.49759	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	244.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	0.7
64.97472	0.3
69.73396	1.0
69.73808	0.6
82.01458	2.7
82.99832	1.2
83.99924	0.4
98.97586	3.0
99.97908	0.9
100.02498	3.6
100.07600	1.1
101.00886	11.2
102.00945	2.8
103.00595	0.4
116.98663	1.6
117.98929	0.7
118.00369	0.5
118.03506	0.5
119.01925	17.8
120.02014	3.8
121.01622	0.7
124.02444	1.3
126.79890	0.3
128.70358	0.4
128.87979	0.3
135.99974	0.5
137.02956	2.1
138.03012	0.4
141.98947	1.3
142.03510	6.3
143.01883	0.7
143.03629	0.4
154.37477	0.3
157.98117	0.5
158.99861	0.7
159.38589	0.3
159.99997	4.1
160.04556	1.2
160.99646	0.3
161.02971	4.8
162.98792	0.4
166.98705	0.9
169.48993	3.4
169.99158	0.5
171.99197	0.6
172.49300	0.4
177.00957	4.0
178.01044	14.7
178.49551	10.2
178.51146	0.4
178.99536	1.3
179.00787	1.3
179.04024	5.0
179.49486	0.6
179.98138	2.5
180.99803	5.8
181.49910	0.7
184.00021	0.9
184.04495	0.7
184.79852	0.3
184.99597	0.3
185.02988	0.4
185.96115	0.8
187.50049	0.9
190.00327	9.9
190.50439	1.6
191.00499	0.4
194.94824	0.4
196.94514	3.6
197.45125	0.4
197.46817	0.8
197.94554	1.5
197.99147	3.4
199.00957	0.8
200.03041	0.3
201.00870	0.4
201.51169	0.4
202.01048	3.4
202.05652	0.4
203.04005	0.6
206.45613	0.5
208.97656	0.4
214.95605	4.7
215.95645	2.5
218.04173	3.1
219.01978	1.6
219.96228	0.5
220.02135	20.7
220.98183	0.6
221.01797	6.1
221.04941	0.7
221.30826	0.3
226.00999	2.2
229.48883	0.7
229.98419	0.8
232.96594	1.5
233.96733	1.1
235.00826	0.5
237.97127	1.4
238.95447	1.3
238.97394	1.0
241.49562	0.3
243.99565	0.6
244.02119	12.2
245.01837	0.5
254.93636	0.4
255.98022	0.3
256.96530	3.6
257.96838	0.4
258.96387	0.6
261.02972	0.6
262.03204	100.0
263.02911	5.0
264.03653	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1593
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
55.01874	6.5
55.05523	9.8
57.03434	4.5
57.07061	3.3
67.05506	30.6
67.77499	1.8
69.03429	3.7
69.07070	14.7
70.50444	6.6
71.04984	4.9
71.08632	3.0
74.51624	1.9
75.52003	2.2
79.05491	20.1
81.07056	91.0
83.04974	8.0
83.08611	6.4
85.06544	6.2
88.07618	2.1
91.05478	34.4
93.07037	13.1
95.04980	4.8
95.08608	16.1
97.06521	12.3
99.08072	5.1
105.07040	35.3
107.04977	2.5
107.08601	15.5
109.06511	6.6
109.10117	2.7
115.05477	2.0
119.08594	38.9
121.10134	18.4
122.91895	2.2
123.08069	2.5
123.11712	26.9
127.07574	2.4
129.07011	6.4
131.08583	4.5
132.13622	2.0
133.10144	20.5
137.13243	4.3
141.09094	3.8
147.11688	100.0
149.09596	3.3
157.10162	13.9
165.12761	64.7
175.11188	19.5
183.13759	2.2
193.12244	47.6
197.15414	11.6
211.13219	2.3
225.14816	7.1
229.14421	3.2
233.28069	2.2
240.08118	2.1
240.10655	2.0
243.06473	2.6
243.15808	4.9
243.28851	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	244.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25649	2.4
56.96552	3.2
57.03424	2.2
57.82956	1.9
61.02925	7.0
69.03405	4.9
69.86855	3.5
69.87164	11.2
70.06596	4.7
72.08176	3.3
73.02908	4.6
81.03421	2.8
84.04501	3.2
85.02894	7.4
89.05983	2.6
95.02463	2.3
97.02888	4.7
98.97570	4.7
101.00910	3.3
109.02860	2.1
112.05096	100.0
115.08708	2.8
119.01892	5.0
128.00175	2.3
131.01851	2.8
143.01883	3.6
145.01733	2.7
150.01910	2.3
161.02972	3.0
163.04460	6.8
191.02103	2.1
203.02275	2.3
205.05515	3.7
235.55080	2.0
244.05463	13.7
244.08012	25.2
244.16653	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	243.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.9
55.05511	9.9
57.03422	3.9
57.07056	3.1
60.33829	1.2
67.05506	32.0
69.07063	14.7
71.04979	4.5
71.23383	2.8
73.06570	1.6
78.55453	1.2
79.05489	13.4
81.07058	92.8
83.04969	4.5
83.08604	5.8
85.06544	7.0
91.05486	22.4
93.07052	12.9
95.04979	2.4
95.08613	19.2
97.06544	7.5
97.10152	1.5
99.08085	3.0
101.20426	1.6
103.39783	1.2
105.07038	33.0
107.08611	14.1
109.06507	6.3
109.10123	1.8
111.08070	1.9
119.08583	27.1
121.10144	21.7
122.00494	1.4
123.08041	3.8
123.11707	28.8
127.07547	1.4
129.07004	1.9
130.87550	1.4
131.08533	2.6
133.10124	6.0
137.13263	6.9
141.09109	2.7
147.11690	100.0
147.99854	1.3
157.10118	6.6
165.12758	77.3
175.11171	5.1
183.13817	1.7
187.13307	2.3
193.12245	15.9
197.15387	12.8
211.22932	1.3
225.14795	2.3
229.14368	6.7
243.15884	5.2
243.28719	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	243.1594
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
51.92807	3.2
55.01864	5.5
55.05516	45.1
57.03431	15.3
57.07065	6.6
67.05510	65.8
69.03426	7.9
69.07071	27.6
71.04992	43.1
71.54379	5.2
79.05489	39.1
79.05923	4.7
81.03419	65.3
81.07059	96.6
83.04984	22.7
83.08623	37.0
85.02912	6.0
85.06554	15.3
91.05479	51.0
93.07036	26.5
95.04979	24.4
95.08607	30.3
96.30453	3.6
97.02903	12.4
97.06546	10.4
97.10140	17.6
98.97606	7.2
105.07034	42.5
107.04963	10.5
107.08598	25.2
109.06504	8.8
109.10156	12.8
111.08096	16.6
115.05485	5.4
117.07022	5.8
119.05008	4.6
119.08576	45.8
121.10159	17.3
121.74644	3.2
123.08070	14.7
123.11747	16.1
125.09660	9.5
126.40856	3.3
129.07011	11.2
131.00192	3.6
131.08562	18.6
133.06508	4.5
133.10141	22.5
135.11725	3.2
139.11089	3.7
141.07089	4.2
142.07729	4.1
143.08556	4.9
145.06453	6.0
145.10089	4.5
147.11690	60.6
149.09613	9.8
149.13274	7.5
151.11220	4.5
157.10152	11.8
158.99702	4.8
159.11656	6.6
161.13274	4.0
163.08684	3.3
165.12729	24.8
167.10724	11.1
169.05006	4.9
171.11746	3.4
173.13257	4.2
175.11212	20.2
177.44493	3.1
183.11708	8.2
189.16414	5.1
193.12268	100.0
201.09146	11.1
211.13297	79.9
225.14801	25.6
242.60902	10.1
243.06343	19.0
243.10233	24.1
243.13797	13.7
243.15921	16.6
243.21092	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	243.1592
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
53.03941	5.1
55.01866	4.8
55.05514	27.1
57.03423	6.0
59.05005	19.2
61.02915	2.5
65.03940	2.4
67.05513	44.5
69.03455	2.8
69.07078	15.5
69.13203	1.6
69.96946	6.2
71.01358	2.9
71.04997	42.1
79.05070	2.9
79.05497	47.4
81.03424	26.2
81.07062	59.2
83.04986	15.9
83.08625	13.8
85.02919	3.4
85.06556	12.2
87.04485	8.0
91.05489	58.7
93.07047	33.6
95.04958	13.3
95.08607	23.1
97.06546	16.7
98.20855	2.3
99.08093	3.1
105.07040	40.6
107.04976	4.5
107.08607	37.0
109.06519	9.6
109.10147	3.9
111.04432	3.5
111.08100	9.1
113.06030	6.4
115.05507	1.8
117.06995	1.9
119.08591	27.7
121.10159	30.4
123.08071	6.8
123.11739	3.8
129.07016	15.4
131.08585	31.1
133.06508	3.6
133.10150	41.8
137.09618	2.3
142.07820	2.7
145.10124	2.4
147.08044	3.2
147.11697	46.8
149.08415	2.8
149.09625	45.0
151.11212	3.1
157.10150	24.2
165.12775	7.7
167.10661	7.8
167.11935	1.8
175.11186	33.4
179.14352	2.5
188.85901	1.8
193.12242	46.4
197.15396	23.0
199.13242	9.3
207.13786	2.6
211.09314	2.0
211.13313	30.6
225.14871	100.0
243.06229	5.2
243.15854	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.102
Annotation	Pholidotol D
Peak:m/z	Relative Intensity
53.03942	1.0
55.01861	1.6
55.05502	1.5
56.96551	1.1
57.03425	0.7
60.83952	0.4
65.03927	1.1
67.05508	3.4
69.03426	0.9
69.07073	1.0
69.41617	3.1
71.04990	0.9
79.05506	2.6
81.03413	0.5
81.07058	5.2
81.80361	0.4
83.08602	0.8
85.02895	1.4
85.06530	0.9
91.05489	24.6
93.07072	2.0
93.07565	0.5
94.04130	0.4
95.04987	2.9
95.08629	2.4
97.02879	1.7
97.06469	0.4
97.10189	0.4
98.97574	1.3
99.04463	1.0
103.05492	1.9
103.06051	0.4
105.04526	0.7
105.07040	10.9
106.04179	0.4
107.04961	15.4
107.08628	0.5
109.06470	0.6
109.10156	1.1
115.00034	0.5
115.05444	0.9
117.07009	0.6
119.04107	0.9
119.04951	16.3
119.08601	1.3
120.05752	4.2
121.02905	2.8
121.06514	35.2
123.03584	0.6
123.04446	8.1
123.11714	1.2
124.05200	1.6
125.06034	2.5
128.06259	0.6
129.06985	0.5
131.04951	1.1
131.08588	0.9
133.05470	0.8
133.06503	17.3
133.10130	1.2
134.03645	1.4
135.04440	4.5
137.05983	3.6
140.89560	0.4
141.06972	1.3
145.06512	2.5
145.10097	0.6
147.04364	0.7
147.08038	1.9
147.11682	0.5
149.05997	20.6
150.06787	4.0
152.06250	0.8
153.07040	2.4
154.07748	1.6
154.42889	0.4
155.08578	2.5
157.06499	1.8
159.08076	1.9
161.13269	0.5
165.07013	12.1
166.07784	0.6
167.08534	0.8
168.05666	1.1
169.05054	0.8
169.06514	1.3
169.10001	0.5
175.11209	0.4
179.08589	0.7
181.06502	3.0
182.07288	4.7
183.08067	6.1
185.05998	0.5
185.09738	0.8
187.07564	0.5
187.13237	0.6
192.05629	0.5
193.06497	1.8
193.12184	0.6
194.07307	1.8
195.08131	1.0
197.06056	0.6
197.09616	3.4
199.07574	1.0
200.08380	0.6
201.09084	0.8
201.16359	0.6
207.08070	0.9
210.06778	5.5
211.05759	0.6
211.07568	6.0
212.08340	2.8
213.05411	0.6
215.10735	1.3
219.01764	0.5
222.05473	2.1
222.55637	0.8
225.09093	4.1
225.12691	0.5
225.14752	0.4
227.07095	1.7
228.07816	5.4
242.56721	0.7
243.10187	100.0
243.21080	1.9
244.10495	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0865
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
51.02380	1.0
53.03946	3.1
55.01869	3.5
55.05514	2.8
56.96563	2.1
57.03438	1.6
57.07099	1.1
61.02924	11.2
65.03945	8.0
67.05499	8.4
69.03432	5.4
69.07066	4.6
70.06581	4.8
70.45166	3.8
71.04996	3.0
72.08151	1.7
72.32859	1.1
75.83692	1.1
79.05499	8.7
81.03429	2.7
81.07065	10.5
82.04166	1.3
83.04982	8.0
83.08638	1.1
84.04507	1.3
84.08129	3.7
85.02920	6.7
85.06552	2.4
86.09705	2.6
87.04539	1.1
91.05486	22.4
91.96768	1.2
93.03399	3.4
93.07047	5.0
94.04167	2.3
95.01338	3.5
95.04975	32.0
95.08623	5.4
97.02924	7.1
97.06538	4.2
98.97582	5.6
99.04471	2.3
99.08113	1.6
101.06038	1.1
103.05446	1.2
105.03398	3.9
105.04522	1.8
105.07040	4.2
107.04955	11.8
107.08620	2.6
108.02095	2.3
109.02885	1.9
109.06521	17.6
109.10176	3.7
110.03661	3.7
111.04446	3.5
113.06016	10.2
113.09652	1.1
115.03925	2.9
116.07056	1.2
116.98629	1.3
117.07008	1.8
119.04955	10.9
119.08596	4.2
121.02892	1.3
121.06531	1.5
121.10151	2.7
122.03716	1.5
123.04433	17.9
123.08085	3.4
123.11752	1.9
125.02380	5.7
125.05993	3.6
127.03918	1.3
128.06204	1.2
130.06528	5.4
131.07057	3.5
131.08542	2.3
132.04462	4.3
133.02858	10.6
133.06534	1.4
133.10107	3.2
135.04405	4.1
137.05992	24.3
137.07042	1.3
137.09592	2.2
138.03159	2.5
139.03970	1.6
140.04691	95.5
141.07053	2.0
142.02690	2.4
143.08533	2.6
145.06528	6.6
146.03616	1.6
147.04439	11.8
147.08064	3.1
149.02338	1.6
149.05991	1.6
150.01398	1.6
151.03923	4.2
151.07536	3.2
151.11177	1.4
152.04709	2.0
153.05466	4.4
153.06940	1.4
154.06279	1.8
155.07040	100.0
157.04987	1.8
157.07643	3.1
158.06055	6.2
158.99646	2.3
161.09613	2.8
161.13208	1.7
163.03897	3.1
163.11284	1.4
165.01881	2.2
165.05499	19.1
165.09108	4.8
167.07068	2.9
169.04964	3.2
169.06453	2.6
169.08600	3.7
171.06532	2.9
171.08008	1.9
171.11633	1.4
173.05916	2.3
173.08145	3.9
175.08710	1.4
179.07039	14.0
179.10637	1.4
180.04193	15.7
181.04973	68.3
181.06308	2.4
183.06517	3.7
183.08081	1.7
184.03726	1.4
184.05196	2.5
187.07553	2.3
189.09056	1.7
189.12820	2.5
192.04051	1.2
193.04974	31.4
195.06549	11.6
197.05785	9.0
197.08029	6.3
197.13010	1.1
199.07542	2.6
207.06537	28.9
207.09933	5.3
207.13789	3.4
210.06700	1.8
211.07603	1.3
213.07755	1.3
215.06932	5.3
222.04897	1.2
222.08482	2.0
225.07570	25.7
225.09532	2.3
225.11172	1.9
225.14903	4.0
231.05222	2.8
231.08888	1.8
243.04625	3.2
243.06639	3.7
243.08664	21.2
243.13768	1.4
243.15891	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0865
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.03933	2.7
55.01873	4.6
55.05510	2.4
55.60281	1.1
56.96571	1.1
57.03442	1.6
60.17299	1.2
60.65947	1.3
61.02934	12.3
65.03953	8.4
65.38387	1.2
67.05499	5.5
69.03422	3.4
69.07063	2.7
69.49120	8.4
70.06594	3.0
71.04996	2.6
72.08150	1.2
73.29443	1.2
79.05502	7.1
81.03411	2.1
81.07046	7.4
82.04199	2.1
83.04974	6.7
84.04466	2.1
84.08151	1.9
85.02909	7.5
85.06552	2.5
86.09708	1.6
91.05475	19.5
91.69041	1.4
93.03388	2.1
93.07041	3.6
95.01310	2.4
95.04968	28.4
95.08601	4.1
97.02894	4.6
97.06510	4.1
98.97556	3.7
99.08104	1.8
103.05451	1.8
105.03385	3.6
105.04499	1.7
105.07041	2.2
107.04943	10.5
107.08604	1.8
109.02920	1.7
109.06522	14.7
109.10168	2.8
110.03665	3.7
111.04418	3.5
113.06003	9.1
115.03894	1.7
115.05462	1.3
116.98633	1.6
117.07011	1.3
119.04941	8.4
119.08575	3.6
121.02886	2.4
121.06496	1.5
121.10165	2.6
122.03644	1.4
123.04438	17.6
123.08100	2.1
125.02346	4.8
125.05981	3.6
127.03923	1.4
130.06522	9.2
131.07039	4.8
131.08571	2.1
132.04440	3.6
133.02834	11.3
133.10156	2.9
135.04431	5.7
137.05978	26.6
138.03183	1.7
139.03955	1.6
139.11041	1.6
140.04683	100.0
141.05399	1.7
141.06956	1.4
142.02638	2.2
143.08548	1.4
145.06461	3.7
147.04422	7.6
147.08069	1.4
147.11690	1.7
149.02339	2.2
149.95938	1.2
151.07492	2.0
152.04680	2.5
153.05460	3.7
155.07031	95.3
157.07613	4.2
158.05991	8.4
159.11771	1.4
161.09662	2.6
161.13225	3.2
163.03886	2.8
165.05486	20.4
165.09085	2.0
167.07066	3.0
169.04988	3.2
169.06291	1.5
169.08601	3.6
171.06531	4.1
171.08005	2.6
173.05928	2.5
173.08147	4.0
174.51434	1.2
175.08717	2.8
179.07043	10.4
179.10643	1.8
180.04184	19.2
181.04958	79.3
183.06538	3.5
184.03662	1.8
184.05182	2.3
187.07555	1.6
189.12753	2.6
193.04964	25.6
195.06531	13.3
197.05936	4.7
197.08125	6.3
199.07507	2.1
207.06544	28.8
207.09941	2.7
207.13747	2.6
215.06958	5.8
222.04652	1.5
225.07581	27.8
225.14835	4.9
231.05226	4.6
243.06610	3.4
243.08649	16.8
243.13622	1.9
243.15907	3.1
243.18283	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	242.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30753	0.6
56.96556	0.7
57.03436	0.6
60.87716	0.6
62.52773	0.5
67.05492	0.7
67.92701	0.5
69.07064	1.6
70.06584	0.8
70.63311	0.5
71.01269	0.8
71.01604	1.1
71.23127	0.5
81.03446	0.7
81.06018	0.6
85.02888	0.7
93.93994	0.5
112.03749	5.9
123.04455	2.8
124.03976	4.2
140.07077	2.1
153.05232	5.3
165.05498	1.0
168.06570	2.3
194.07880	0.6
196.04301	0.7
224.08960	6.1
242.10020	100.0
244.97375	0.5
248.13417	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0654
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
55.01872	0.8
55.05519	0.3
57.02114	0.2
57.03420	0.3
58.57947	0.2
65.03947	2.5
67.05508	0.5
68.99789	3.7
69.00130	0.4
69.03429	0.5
71.52035	0.2
71.52438	0.3
79.05483	0.4
81.03429	0.4
81.07063	0.2
84.04488	0.2
84.08163	0.2
85.02903	0.4
86.09711	0.3
91.05476	1.0
93.07034	0.4
95.04977	0.5
95.08615	0.5
97.02908	0.2
98.97572	0.5
99.08027	0.2
103.05470	0.4
105.07033	0.4
107.04958	6.1
107.08575	0.3
109.02822	0.2
109.06521	0.5
109.10146	0.9
111.04457	0.5
115.05453	0.6
116.98637	0.3
117.07012	0.7
119.04951	0.6
119.08574	0.9
121.02876	17.9
123.08037	0.4
125.05984	0.2
125.09644	0.3
128.06197	0.3
129.07042	0.3
131.04958	1.4
131.08612	1.2
133.10147	0.5
141.05449	0.5
141.07001	5.9
143.08662	0.2
144.04720	0.2
144.05658	1.1
145.06505	1.5
147.04414	3.2
147.08054	2.8
149.02350	99.8
150.02728	0.3
152.06200	0.3
157.06458	0.7
159.08084	1.7
165.05479	0.2
167.03418	1.8
168.05780	0.2
169.05017	0.8
169.06473	8.2
169.07562	0.3
173.05992	1.9
183.06506	0.3
185.05965	0.9
187.07555	1.7
197.05991	10.7
198.06741	0.4
200.04691	0.5
207.13800	0.6
213.05525	0.7
215.07036	100.0
216.07382	0.9
222.08331	0.4
223.09137	0.4
225.14774	0.3
231.08864	0.4
243.06535	71.2
244.06845	0.4
252.34909	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	242.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.4
56.96559	0.6
61.01145	0.7
68.23739	0.4
69.03410	0.8
69.07057	1.6
70.06585	1.3
71.23701	0.9
78.03809	2.3
81.04585	0.5
81.07040	0.4
81.29822	0.4
83.06112	0.6
84.08150	2.8
85.02901	0.5
85.04003	0.7
86.09676	0.8
94.06564	0.8
95.04961	1.3
98.97586	1.1
110.06040	1.0
110.97473	0.4
112.03729	6.5
121.10143	0.4
123.04430	9.3
124.03941	3.8
126.05549	0.7
129.10158	0.5
138.05544	0.6
140.07030	1.1
152.06981	0.5
153.05223	4.2
165.05504	4.1
168.06596	1.2
184.04855	0.5
196.10872	1.0
202.29724	0.5
202.52455	0.5
219.01709	0.6
224.08971	5.1
242.09998	100.0
242.15182	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	241.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
54.02159	0.5
55.01884	0.9
55.05513	4.4
56.02662	1.3
57.03448	0.7
57.07077	1.2
59.04987	0.8
65.03954	0.7
67.05509	20.4
69.07066	3.0
69.29008	3.2
69.29413	1.1
71.04998	100.0
71.08639	0.6
73.06566	0.5
79.05495	11.1
79.05907	0.8
81.03428	0.6
81.07063	34.8
83.04990	1.8
83.08637	3.2
85.06539	5.7
85.06948	0.6
86.12473	0.5
91.05486	7.4
93.07052	22.7
94.37748	0.4
95.04987	2.0
95.08615	18.4
97.06538	5.1
97.10192	0.9
98.97594	1.1
99.08111	2.2
101.06020	0.6
105.04583	0.6
105.07032	4.7
107.08597	7.9
109.06557	2.1
109.10191	2.1
111.08056	2.4
115.07583	1.6
117.07028	6.8
119.08611	1.3
121.06592	0.7
121.10154	3.0
122.64781	0.6
123.08014	0.8
123.11757	0.6
125.09669	0.7
127.07586	1.4
131.08577	8.2
133.10149	7.4
135.08099	0.6
135.11700	16.5
141.09177	0.7
149.09633	1.1
149.13272	9.8
151.11203	0.5
157.10002	0.5
159.11710	19.4
161.13281	0.6
176.95918	0.6
177.12750	11.4
185.13252	0.9
189.54115	0.5
209.05965	0.8
209.15407	4.3
223.17006	0.7
241.08669	0.8
241.16150	0.6
241.17834	0.9
241.19748	1.3
251.86517	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1548
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
58.06605	15.5
61.02917	0.2
69.75529	1.0
70.06596	2.3
72.04534	0.3
72.08158	0.3
77.84595	0.2
81.03413	0.4
84.08147	7.4
98.06035	0.5
98.09702	1.4
100.11237	0.6
101.02357	0.3
104.10753	2.2
114.05521	0.4
116.07085	0.2
116.10691	0.3
126.05531	1.8
126.09158	0.3
128.10718	3.6
129.01880	0.3
131.01869	0.2
144.10207	1.3
152.07072	0.5
157.01292	0.3
161.04335	0.2
168.10266	0.6
179.08246	0.2
179.22499	0.2
189.03961	0.5
195.07675	0.4
196.09705	5.0
197.09225	0.3
213.15958	0.4
223.07161	0.4
224.05557	0.7
241.15485	100.0
242.15814	0.6
262.89417	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.0
55.01870	2.7
55.05520	7.5
57.03434	2.1
57.07079	0.9
59.04964	0.7
67.05510	10.5
69.03439	0.6
69.07072	5.8
70.64477	1.9
71.04978	2.1
71.13452	0.6
73.02927	1.3
79.05498	16.1
79.47894	0.6
81.03402	2.7
81.07066	13.0
82.32246	0.6
83.04976	2.8
83.08629	6.2
85.06535	4.0
91.05492	3.7
93.07051	22.8
95.04980	4.2
95.08615	24.4
97.02892	2.2
97.06516	2.0
98.97581	0.7
99.04467	3.2
105.07043	4.3
107.04960	6.3
107.08599	15.4
109.06498	1.7
109.10156	3.8
111.04399	1.2
111.08077	1.1
116.69930	0.7
117.07046	5.5
119.08585	6.5
121.06555	3.8
121.10141	8.3
123.11702	1.7
125.05994	2.0
130.07816	1.1
131.08560	0.8
133.10136	2.0
135.08078	1.7
135.11705	29.8
139.07523	1.7
143.08563	0.8
145.10139	16.1
153.12802	0.7
155.08621	0.9
163.11205	45.5
173.09630	1.8
181.12239	10.5
191.10640	1.5
209.11781	1.9
227.12802	100.0
241.14453	1.8
241.19548	1.4
241.21661	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.7
57.07060	0.2
62.06096	0.4
67.05490	0.7
68.05017	0.3
69.03442	0.2
69.07055	0.6
69.61414	1.4
70.06572	0.4
72.04512	1.0
73.02882	0.3
74.06062	0.5
77.29533	0.2
79.05473	0.9
80.05043	0.3
81.07061	1.6
82.06572	0.6
85.02906	0.3
88.03978	0.2
91.05497	0.5
93.07042	1.5
94.06557	0.8
95.08595	1.3
96.08109	0.4
97.02904	0.3
98.12972	0.2
98.20749	0.3
98.97554	0.5
100.07590	0.5
105.07042	0.3
106.02904	0.3
106.06544	0.6
107.08585	0.9
108.08110	1.2
109.06513	0.3
109.08872	0.2
111.08115	0.3
112.07573	0.7
113.02365	0.2
114.09180	0.5
121.10231	0.2
122.09646	1.2
123.07990	0.2
123.10466	0.3
124.03940	0.8
124.07594	4.3
126.05505	0.4
126.09178	0.6
128.10715	0.4
133.10114	0.4
134.09578	0.2
135.11662	0.7
136.11205	1.7
137.13260	0.6
138.09123	0.9
139.09967	1.0
140.10689	0.7
142.12273	1.4
148.11275	0.2
149.09601	0.3
150.12784	1.5
151.13539	0.8
152.07068	0.2
152.10680	1.7
152.14313	0.2
153.11436	0.5
154.12285	2.3
154.46484	0.2
166.12282	3.4
167.13058	2.0
168.13902	1.1
176.10713	0.3
178.15909	0.4
180.06554	0.7
194.11731	0.6
194.15385	2.3
196.16968	100.0
197.17264	0.4
197.46826	0.2
198.18500	1.4
208.06805	0.2
217.07289	0.3
222.11308	0.9
240.12421	1.1
240.19582	58.9
241.19875	0.3
250.84683	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.05500	0.8
56.96343	0.3
56.96569	3.4
57.03424	0.6
58.06603	14.4
59.05002	0.3
61.02914	1.2
63.74741	0.2
69.03419	1.1
69.07010	0.3
69.95764	1.1
70.06601	2.6
70.98129	0.7
71.01348	0.3
71.04988	0.6
72.04482	0.4
72.08142	0.8
73.02909	1.2
81.03416	1.3
81.07033	0.3
82.06590	0.4
84.04551	0.2
84.08144	8.4
84.96050	0.3
85.02911	2.4
85.06528	0.5
86.03225	0.2
91.05463	0.3
97.02911	1.5
98.06065	0.6
98.09690	1.0
98.97591	18.4
99.04456	0.6
101.00853	0.7
109.02852	0.5
110.97590	0.7
113.00767	0.3
114.05547	0.4
115.02435	0.3
116.07116	0.3
116.98627	6.5
119.01846	1.0
124.99132	0.3
126.05511	0.7
127.03859	0.5
128.02379	0.3
128.07062	0.4
128.10725	4.0
128.98618	0.6
131.01892	0.6
133.03511	0.4
134.99672	1.0
136.07555	0.4
140.00177	1.7
140.98619	0.3
142.01736	0.4
143.00189	0.5
143.01895	0.7
144.10210	0.7
145.03455	0.3
150.01784	0.4
152.07042	0.4
152.53911	0.6
155.01912	0.4
157.03534	0.4
158.01247	1.2
158.99684	1.4
161.02951	0.6
161.54442	0.3
163.08742	0.4
164.02357	0.3
164.07085	5.8
168.10158	0.6
170.05167	0.4
173.01289	0.5
174.04506	0.4
177.00761	2.1
180.53354	0.7
181.03084	0.3
181.04930	0.6
181.09671	0.5
185.02798	0.4
186.99155	0.3
188.09158	0.7
190.03853	0.4
191.03906	0.4
195.01958	0.8
196.09700	5.3
199.04010	1.0
200.02315	0.4
201.00711	0.4
205.00330	0.3
211.03546	0.4
213.15991	0.6
217.00174	0.5
217.05075	0.7
218.03287	0.4
219.01799	0.6
221.04895	0.4
223.10844	0.5
229.04741	0.5
241.15479	100.0
242.15726	0.5
258.99744	0.6
259.06247	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01857	2.2
55.05269	1.2
55.05514	12.6
56.05027	1.5
57.03444	5.9
57.07067	1.9
62.06093	37.9
65.03928	1.3
67.05508	53.6
69.03429	1.7
69.07068	8.5
69.39812	2.2
69.40215	5.7
71.04996	3.8
71.08665	0.9
72.04525	1.0
79.05491	18.2
81.03406	2.3
81.06590	2.1
81.07062	38.6
83.04970	3.1
83.08615	2.6
85.06539	2.5
91.05487	10.8
93.07047	27.7
95.04964	8.5
95.08612	81.1
105.07036	15.3
107.08601	11.1
109.06529	3.2
109.10165	41.6
109.10931	1.9
117.07053	1.9
119.08583	20.5
121.10162	3.7
123.08070	4.8
123.11703	2.5
133.10100	4.8
135.11684	6.4
137.09627	12.5
137.13263	2.0
142.12320	2.4
147.22308	1.1
149.13266	2.3
151.13675	1.4
151.14848	19.7
161.13292	8.0
163.58440	1.1
170.11755	3.4
178.12282	3.8
179.14326	12.5
222.14926	1.9
222.18561	3.2
235.66005	0.9
240.19592	100.0
241.19836	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03935	2.9
55.05518	14.8
57.03439	4.5
57.07071	7.2
59.04995	3.7
63.80784	1.4
65.60388	1.6
67.05505	31.6
69.03431	3.6
69.07072	31.5
71.05004	9.7
71.08625	2.5
71.53708	2.0
79.05502	14.8
81.03436	1.7
81.07063	65.9
83.04979	4.4
83.08622	9.9
85.02896	2.0
85.06548	37.6
89.06028	6.6
90.16567	1.5
91.05466	8.2
93.07048	26.3
95.04966	5.1
95.08611	100.0
97.06533	9.1
97.10172	5.8
99.08087	15.7
105.03400	5.7
105.07043	27.8
106.07380	5.9
107.08604	38.7
109.06521	8.2
109.10165	36.2
111.08088	7.8
111.11720	3.8
113.09643	5.7
117.07001	2.9
119.08581	27.5
121.06571	2.0
121.10152	52.3
123.08060	4.5
123.11708	17.5
125.05980	2.0
125.09662	6.4
127.11248	5.9
133.08614	2.8
133.10126	14.3
135.08057	2.0
135.11702	12.1
137.09651	3.9
137.13248	6.0
139.11200	5.2
145.10158	1.8
147.11707	19.2
149.13312	3.2
151.11203	4.2
151.14809	2.1
161.13243	10.9
163.11160	1.7
163.14828	21.0
165.12801	8.7
175.14847	5.5
177.16403	11.1
179.14310	2.2
181.15884	2.7
183.11745	2.2
203.17961	32.6
221.11714	1.9
221.15401	5.7
221.19022	17.0
239.06973	4.5
239.08952	7.0
239.16257	16.0
239.20038	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	239.1643
Annotation	5,8-Dihydroxy-14-nor-7-marasmanone
Peak:m/z	Relative Intensity
53.03944	3.7
55.01868	3.7
55.05271	1.7
55.05518	26.0
56.96556	1.7
57.03441	7.7
57.07074	4.4
59.04988	1.5
65.03938	1.8
67.05508	39.4
69.03442	9.4
69.07075	33.0
71.04990	5.7
71.08629	2.6
71.53291	1.2
72.08150	2.5
75.95681	1.3
79.05502	31.1
81.03425	62.0
81.07063	36.1
83.04990	30.5
83.08625	10.3
84.23193	1.2
85.02900	1.4
85.06557	6.6
89.06037	8.4
91.05489	23.2
93.07056	29.9
95.04967	12.9
95.08613	30.8
97.06544	8.8
97.10178	3.1
99.08101	3.9
105.03405	4.9
105.07034	17.0
107.04921	3.0
107.08616	18.3
109.06557	8.6
109.10163	12.6
111.08091	3.9
113.06023	1.7
113.09598	1.6
115.05439	1.5
117.07029	5.7
119.08582	16.7
121.06516	16.3
121.10159	9.7
123.08073	7.9
123.11722	2.4
125.09638	2.0
126.59500	1.3
129.07010	5.5
131.08582	7.0
133.08582	2.5
133.10150	13.3
135.08093	4.5
135.11702	5.8
137.09636	5.6
137.13275	1.7
139.11157	1.3
143.08566	6.5
145.10146	1.8
147.08041	2.0
147.11681	5.8
157.10156	3.5
159.11726	4.5
161.09601	2.1
161.13275	3.9
173.13254	1.9
175.11211	2.1
175.14807	12.5
177.12711	1.9
179.14305	3.0
185.13284	12.2
193.15912	5.4
196.16991	2.4
203.14307	6.7
221.15367	100.0
239.08905	26.0
239.11024	2.4
239.16261	37.6
239.24901	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	239.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49268	1.8
53.03940	11.8
53.32092	2.1
55.01856	3.3
55.05315	1.6
55.05515	21.1
57.03430	2.2
57.07048	6.5
67.05508	60.4
69.07069	15.5
71.04964	2.1
71.08656	2.8
71.35216	1.8
71.54457	2.7
71.73394	1.7
73.06553	2.8
79.05497	84.4
81.03419	5.5
81.07062	58.9
82.19017	1.9
83.04985	30.8
83.08640	12.3
85.02914	2.5
85.06524	6.1
86.40355	2.0
89.06040	21.7
91.05485	57.6
93.07051	100.0
93.18236	2.0
95.04963	17.8
95.08618	30.7
97.06520	6.4
97.10139	4.5
105.04544	4.2
105.07031	43.2
107.04917	5.2
107.08604	20.9
109.06509	7.5
109.10141	3.8
111.08066	2.6
117.07024	11.0
117.90645	2.1
119.08592	26.5
121.06434	3.0
121.10144	6.9
123.08053	6.5
128.06223	4.9
129.07013	26.0
130.07770	2.1
131.08566	4.7
133.08600	8.3
133.10141	13.3
141.07001	7.4
143.08575	16.3
145.10136	17.0
147.08017	3.4
147.11696	61.9
155.08510	10.9
157.10152	10.6
159.11708	6.0
161.09627	7.5
161.13255	18.7
168.09372	2.4
169.10118	16.8
171.11708	54.9
183.11691	18.9
189.12752	19.2
195.11829	2.3
197.13251	17.8
198.10767	2.4
198.18550	4.9
207.13828	28.8
221.11646	2.9
221.22562	2.3
239.08853	24.5
239.18004	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	238.1802
Annotation	Piroctone
Peak:m/z	Relative Intensity
52.19888	0.4
53.03942	0.7
55.01865	0.5
55.05511	3.1
57.03437	2.8
57.07049	0.4
59.14339	0.4
61.87371	0.3
62.06059	0.4
63.58416	0.3
67.05502	5.6
69.07073	2.1
70.17788	1.3
71.05008	0.5
72.04470	0.4
79.05495	3.7
81.03393	0.6
81.07057	7.1
82.06579	0.7
82.07358	0.4
83.04964	0.8
83.08592	1.5
83.09051	0.4
84.08140	0.4
85.05279	1.0
85.06521	0.5
91.05467	1.8
93.07042	3.3
95.04955	0.6
95.08626	2.2
96.08134	1.6
96.08922	0.3
97.06523	0.5
98.06056	4.8
99.06836	0.4
105.07010	1.3
107.04943	0.5
107.08578	1.6
108.08094	0.4
110.09701	0.5
112.07607	1.0
117.07024	1.1
119.08534	0.6
120.08091	0.6
121.10104	0.5
126.09149	0.5
131.08566	2.3
133.10123	0.6
134.09639	0.6
135.11723	0.6
138.12766	0.8
148.11221	1.2
149.13234	0.4
159.11670	1.3
161.13158	0.4
164.06909	0.5
174.12733	1.1
176.14377	1.7
182.15237	0.4
210.18546	4.1
220.16925	0.4
238.18013	100.0
239.08852	0.4
239.18204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1592
Annotation	N-Methyl-(R,S)-tetrahydrobenzylisoquinoline
Peak:m/z	Relative Intensity
52.31912	0.2
53.03947	0.7
55.05516	0.4
65.63783	0.3
69.07063	0.6
71.53501	0.4
75.69673	0.3
76.96848	0.3
77.03915	0.3
79.05493	5.8
80.05862	0.3
81.07088	0.5
95.04964	0.9
98.09696	1.4
98.97601	0.4
100.94993	0.3
103.05476	3.8
105.07036	100.0
106.07405	0.4
110.09787	0.3
119.07262	0.4
134.09662	2.3
156.13850	2.0
187.63728	0.3
226.27214	0.3
238.15913	63.4
239.16064	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.9
55.05502	1.5
56.96565	0.7
57.07061	0.7
69.07063	0.6
69.65637	1.5
69.66061	1.8
70.06585	1.4
72.08155	2.3
73.06572	0.5
79.05496	18.4
81.07063	0.8
83.05000	0.7
84.04528	0.9
84.08132	2.0
86.09711	0.8
87.00839	3.0
95.04948	1.3
95.63554	0.6
98.20779	1.1
103.05473	0.5
104.03411	0.6
105.03405	4.2
105.07009	0.9
106.06558	100.0
107.04957	14.1
111.98491	0.5
120.08130	4.9
121.02962	0.5
122.05981	0.7
124.07592	0.5
131.05045	0.7
132.04439	9.6
135.04422	28.5
136.06186	7.4
136.07289	0.6
136.07628	0.5
137.05984	1.0
150.05472	0.5
150.09195	0.8
150.59277	0.6
151.27011	0.5
152.07076	2.9
174.05536	2.0
174.12779	3.3
178.05820	0.5
179.07182	0.5
192.06560	64.1
192.10226	1.6
192.13820	4.3
195.43445	0.6
206.04630	0.6
217.57059	0.8
220.06163	1.7
220.09871	0.9
220.11792	1.0
220.13637	0.9
232.97372	0.6
238.07219	1.2
238.12766	2.1
238.14844	3.6
238.17973	1.3
239.08931	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03938	3.9
55.01870	4.3
55.05515	45.7
57.03437	4.3
57.07068	4.4
59.04987	4.0
60.51606	1.4
64.10006	1.6
67.05512	20.8
69.03436	6.2
69.07069	26.2
71.04994	31.5
71.08614	1.7
73.06559	2.3
79.05496	19.8
81.07062	51.8
83.04984	57.9
83.08627	6.7
84.04583	1.7
85.02902	3.1
85.06546	4.8
87.04460	2.6
91.05475	19.3
91.24734	1.7
93.07048	37.5
95.04972	10.4
95.08614	29.0
97.02906	2.7
97.06531	20.3
97.10201	2.5
98.97585	8.2
99.04449	3.6
99.08092	7.2
105.07034	38.0
105.36270	1.6
107.04935	6.6
107.08603	36.0
109.02902	2.3
109.06530	15.3
109.09470	2.1
109.10161	26.3
111.08101	10.3
111.11740	3.1
112.88937	1.5
113.06033	1.9
113.09683	1.6
116.98629	2.3
117.07040	8.6
119.08580	19.7
121.06508	6.9
121.10149	40.3
123.08072	9.7
123.11708	12.6
124.93336	1.8
125.09621	6.1
127.07637	2.6
127.11237	9.4
129.07059	2.9
131.08566	22.5
133.10136	100.0
135.08063	10.4
135.11703	18.3
137.06036	2.4
137.09645	6.4
137.13275	3.6
139.11192	23.3
143.03712	2.0
143.08612	1.6
143.10768	2.0
145.06564	2.9
145.10152	18.3
147.07867	1.7
147.11700	14.9
149.02344	2.0
149.05904	2.6
149.09598	6.5
149.13257	13.6
151.11176	30.1
153.12735	14.4
156.07979	3.3
158.99667	3.7
159.08064	3.6
159.11691	21.9
161.09689	2.0
161.13283	5.6
163.07539	2.9
163.11157	5.9
163.14923	1.9
167.14285	2.9
168.63493	1.8
173.13196	8.2
175.14914	2.2
177.00819	2.4
177.09026	2.6
177.12782	9.7
177.16389	2.5
181.12294	2.6
183.11749	3.6
191.07034	2.7
191.14297	5.7
191.17918	3.0
193.12283	4.5
201.12729	8.3
201.16388	16.6
216.09743	2.8
217.07263	2.1
219.10078	5.0
219.13867	19.7
219.17429	24.7
228.10124	14.0
237.07523	3.2
237.10779	6.7
237.14828	21.0
237.18558	43.5
237.22220	4.2
237.66838	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	237.185
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03947	8.3
55.01868	11.6
55.05270	3.7
55.05516	53.0
56.24077	2.4
57.03444	14.9
57.07068	6.1
59.04991	4.6
61.78979	2.1
65.03933	3.8
67.05511	23.8
67.33469	2.3
69.03435	16.4
69.07070	21.0
69.72626	16.7
71.04647	4.1
71.05000	46.8
79.05069	3.1
79.05501	41.1
80.01833	2.4
81.03413	9.9
81.07068	74.1
83.01363	3.7
83.04990	73.8
83.08620	10.0
85.02917	21.0
85.06553	10.6
91.05488	40.2
93.07049	53.7
95.04970	24.9
95.08614	37.4
97.02919	6.8
97.06541	15.7
97.10176	5.1
98.20724	3.0
98.97600	4.8
99.04469	5.0
99.08112	7.9
103.05489	8.0
105.03358	3.4
105.07027	42.2
107.04974	13.3
107.08603	41.5
109.02863	7.4
109.06533	40.9
109.09454	3.9
109.10168	36.4
111.04402	3.2
111.08090	15.5
111.11716	2.6
115.05450	3.7
117.07027	17.0
119.04967	6.9
119.08597	26.7
120.08086	4.4
121.06502	8.6
121.10155	49.2
123.04433	2.7
123.08058	9.2
123.11723	18.9
125.06020	3.8
125.09640	8.9
127.04015	2.9
127.07590	4.5
127.11199	22.0
129.06992	7.3
131.04947	7.0
131.08594	20.2
133.10147	100.0
135.04462	6.9
135.08070	9.8
135.11707	21.2
137.05968	16.1
137.09644	7.3
139.11203	22.7
140.06215	3.3
141.07033	3.4
143.08556	2.8
143.10690	4.9
145.04977	3.3
145.06525	6.5
145.10159	27.1
147.04411	3.7
147.08043	4.7
147.11722	19.2
149.02333	12.3
149.05977	7.3
149.09621	7.4
149.13251	14.4
151.11209	47.4
153.05493	4.8
153.12782	11.4
153.36772	3.2
155.10643	6.1
159.08055	6.6
159.11708	32.9
161.05898	4.0
161.13264	8.7
162.06792	3.5
163.03940	5.5
163.07529	13.3
163.09875	2.9
163.11189	10.9
165.05484	9.4
165.09172	2.7
165.12794	4.1
167.14388	3.3
173.06003	5.2
173.13300	5.1
174.06749	4.6
175.07568	4.9
175.14819	3.2
176.04669	3.2
177.05487	4.9
177.12791	7.8
177.16383	5.8
181.04994	3.2
181.08730	2.7
185.04828	4.1
187.07600	3.6
189.09142	7.6
191.07047	32.9
191.14238	4.8
192.10193	4.1
193.04996	8.8
201.05551	5.1
201.09052	5.3
201.12825	4.7
201.16423	20.2
209.08084	3.5
219.06564	13.6
219.10124	18.0
219.13852	10.3
219.17416	30.4
229.07352	5.1
237.07527	48.3
237.11174	5.5
237.14706	17.5
237.18483	60.5
237.22137	5.6
252.41043	2.6
255.08711	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1486
Annotation	Cuspidiol
Peak:m/z	Relative Intensity
53.03948	3.9
55.01888	7.7
55.05516	16.6
56.92104	1.7
56.96560	2.2
57.03427	5.2
57.07068	5.0
59.04990	3.1
65.03943	3.8
67.05181	2.6
67.05512	28.7
69.03436	9.1
69.07075	13.1
71.05000	100.0
71.08630	2.1
71.52403	2.4
71.95002	1.6
73.02933	1.9
79.05083	2.6
79.05502	37.5
80.33760	1.6
81.03416	4.0
81.07066	40.9
83.04990	15.6
83.07995	1.6
83.08609	3.5
85.02898	4.0
85.06551	15.7
87.04453	2.9
91.05488	60.7
93.03405	1.6
93.07050	44.6
95.04976	14.0
95.08152	1.7
95.08627	18.1
97.06543	10.4
98.97562	3.3
99.04456	1.8
99.08089	4.5
101.06018	2.8
103.05478	4.4
105.03418	1.5
105.07043	50.4
107.04987	3.4
107.08603	24.3
109.02859	1.6
109.06532	13.4
109.10184	11.8
111.04447	4.0
111.08059	3.6
113.05985	1.7
115.05454	8.1
116.06228	3.1
117.07033	37.1
119.07799	2.7
119.08591	28.2
121.06507	8.3
121.10140	15.9
123.08065	8.8
123.11716	5.7
125.09605	4.4
127.07558	3.6
127.11216	8.5
128.06219	5.2
129.07014	35.7
131.01730	1.5
131.04915	4.8
131.08582	70.7
133.06491	2.7
133.10147	38.2
135.08061	21.8
135.11688	6.2
136.08755	1.8
137.05934	4.5
137.09651	10.3
139.11169	4.8
141.06999	25.4
142.07738	3.7
143.08531	5.7
143.09671	2.0
144.05713	3.0
144.09349	2.6
145.06470	6.2
145.10136	23.1
146.06033	1.9
146.07224	3.0
147.08032	3.2
147.11731	15.1
148.05106	2.2
149.09642	8.0
149.13248	4.5
151.07521	2.9
151.11226	15.4
153.09091	3.5
153.12727	2.9
155.08607	9.5
155.10677	4.8
157.06531	16.5
157.10141	26.5
158.07242	7.7
159.04466	2.7
159.08083	17.2
159.11702	40.6
160.05234	2.4
161.09610	4.5
161.13217	3.2
163.03886	2.8
163.07535	5.3
163.11139	2.3
169.06447	6.6
170.07315	3.7
171.11676	3.9
173.06032	3.0
173.09622	6.9
173.13321	19.7
174.05569	1.3
174.06783	30.1
175.07573	6.1
175.11182	9.1
177.05473	2.5
177.09125	4.6
177.12846	7.6
177.16379	1.7
183.11702	20.1
186.06743	5.9
187.07542	1.9
188.08231	2.1
189.09138	63.3
189.12743	5.5
191.07034	6.3
191.10712	8.0
191.14299	5.0
193.12236	8.3
201.09103	16.6
201.12753	39.0
201.16417	5.2
202.33313	1.6
204.06479	3.4
207.10141	3.7
207.13824	9.6
217.05428	7.3
219.06720	3.3
219.10196	92.0
219.13727	42.9
219.17374	7.3
226.05981	7.4
237.07562	6.6
237.11153	3.3
237.12576	3.4
237.14841	56.3
237.18533	11.4
237.22171	3.5
237.56769	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	237.1486
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
53.03933	3.8
54.79478	1.4
55.01874	7.9
55.05516	12.7
57.03422	4.6
57.07053	3.1
59.05000	2.6
65.03925	3.0
67.05509	25.4
69.03416	3.3
69.07068	18.9
69.79070	7.8
71.04994	13.6
73.02890	2.3
73.28088	1.5
77.82979	1.5
79.05492	39.7
81.03412	3.3
81.07060	100.0
83.04979	11.2
83.08620	8.7
85.06514	4.7
87.04454	3.8
91.05479	22.2
93.07048	28.2
95.04963	9.4
95.08607	18.6
97.02873	2.0
97.06519	9.2
97.10158	1.9
99.08057	1.6
103.05460	1.7
105.03358	3.1
105.04475	2.5
105.07024	17.9
107.04965	17.9
107.07977	2.1
107.08598	24.9
109.05823	3.2
109.06522	53.1
109.10127	8.0
111.04414	3.0
111.08057	5.7
113.05968	5.5
113.06693	1.4
115.05402	2.2
116.06165	1.8
117.07017	12.6
119.08593	14.9
119.82802	1.5
121.06508	13.6
121.10139	10.1
123.08075	8.4
123.11713	2.5
125.05935	5.0
125.09624	3.2
126.60544	1.6
127.07508	4.6
127.11174	1.9
129.06985	2.1
131.08582	21.3
133.06494	2.4
133.10123	7.7
135.04370	6.3
135.08064	17.9
135.11682	7.8
137.05998	12.3
137.09586	5.3
139.07518	3.8
139.11240	2.8
143.08528	3.2
145.06477	2.2
145.10101	10.4
147.08000	2.6
147.11646	5.0
149.02319	4.0
149.05902	2.2
149.09590	5.9
149.13240	5.9
151.07527	3.5
151.11229	2.3
153.09050	2.8
157.10117	4.3
159.08034	2.7
159.11717	17.5
161.09584	1.8
163.07487	5.8
163.11150	4.8
163.14801	2.7
165.09062	2.3
167.07011	5.1
173.09608	2.0
173.13260	20.4
175.11162	4.1
177.05280	2.1
177.09106	2.7
177.12778	7.6
179.10641	2.0
181.08597	2.2
183.11671	6.1
191.08484	2.0
191.14299	22.4
193.04935	5.0
201.12732	14.4
201.16420	3.1
205.04942	3.0
219.11819	2.0
219.13814	32.8
219.17242	2.9
219.21083	2.2
237.07487	5.5
237.09409	2.4
237.12817	3.0
237.14778	50.2
237.16652	3.6
237.18535	2.8
237.22084	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	237.1121
Annotation	Carboxyibuprofen
Peak:m/z	Relative Intensity
53.03936	5.8
55.01859	9.0
55.05517	18.3
57.03428	9.5
57.07071	3.1
59.04996	3.9
63.82715	2.2
67.05510	23.6
69.03440	12.1
69.07075	12.6
70.98118	4.7
71.04996	92.9
71.53819	4.3
73.02935	3.2
79.05502	32.6
81.03406	3.5
81.07066	46.0
83.05002	14.2
83.08649	3.0
85.02908	6.2
85.06540	12.3
88.35830	2.4
91.05484	60.2
93.07048	47.5
95.04958	12.9
95.08604	17.4
97.06544	15.2
98.97567	5.7
99.04484	4.8
99.08081	3.4
101.06057	3.0
103.05460	7.6
105.07040	45.9
107.04944	5.4
107.08598	24.5
109.06531	16.3
109.10169	12.8
111.04436	4.8
111.08079	3.2
115.05460	7.8
116.06252	3.7
116.98559	3.0
117.07040	28.5
119.08580	29.0
121.06515	10.1
121.10149	17.5
123.08044	8.7
123.11700	7.3
125.09626	3.0
127.11183	8.2
128.06291	4.9
129.07002	41.9
130.07753	3.6
131.04936	5.4
131.08577	56.6
133.06456	2.5
133.10136	32.4
135.08086	19.7
135.11700	8.3
137.05968	8.9
137.09595	10.8
139.07516	2.7
141.06996	27.3
142.07701	3.8
143.08530	4.0
144.09438	3.0
145.06477	6.6
145.10155	18.7
147.08076	5.6
147.11720	13.9
149.05984	3.5
149.09619	8.7
149.13243	4.1
151.11188	10.5
153.09035	2.9
153.12692	2.8
155.08537	7.3
155.10606	2.8
157.06462	17.1
157.10176	22.3
158.07298	9.3
159.08098	17.2
159.11708	40.2
161.09612	5.8
161.13258	4.7
163.07526	8.0
163.11244	4.2
169.06369	2.9
170.07294	3.6
171.11626	3.8
173.09601	5.9
173.13252	15.7
174.06798	37.5
174.81680	2.4
175.07535	8.3
175.11169	6.4
177.05464	5.3
177.09103	5.2
177.12726	8.6
183.06012	4.6
183.11736	17.1
186.06775	8.0
189.09123	71.4
189.12700	3.1
189.67354	2.3
191.07028	8.1
191.10646	7.6
191.14310	5.2
193.08615	2.5
193.12231	9.0
201.09119	19.4
201.12758	30.7
201.16414	5.5
203.05896	2.8
207.10028	4.6
207.13812	8.9
217.05443	4.8
219.06732	4.8
219.10188	100.0
219.13681	37.5
219.17477	7.9
226.05911	5.2
228.10107	3.8
237.07433	16.4
237.14865	61.4
237.18517	16.4
237.22107	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	235.1694
Annotation	7,10-Epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
51.02391	0.7
52.40217	0.4
53.03948	5.7
55.05515	2.5
57.07076	4.0
65.03931	1.1
67.05509	19.2
69.03439	3.3
69.07071	2.3
70.82301	1.1
71.04969	0.7
77.03925	1.3
79.05499	23.0
81.03424	0.9
81.07054	7.8
83.04966	0.7
83.08626	1.7
84.09887	0.5
85.06550	1.1
91.04900	1.2
91.05486	34.7
93.07048	100.0
94.07363	0.5
95.04972	6.4
95.08606	4.7
97.06570	0.8
97.10175	0.6
98.20884	0.4
105.04514	2.4
105.07024	4.5
107.04925	0.4
107.07866	0.9
107.08593	13.8
107.09306	0.9
109.06491	0.8
109.10167	2.3
117.07005	2.2
119.08584	5.4
121.06527	1.1
121.10149	16.9
123.04480	0.4
123.08111	1.1
129.06944	0.5
131.08524	2.1
133.10150	5.9
135.08073	2.0
135.11723	3.8
137.09622	0.9
143.08569	1.3
145.10129	0.8
147.11688	1.0
149.09648	1.1
151.11137	0.9
153.09108	1.1
157.10149	1.1
161.09637	0.8
161.13316	0.9
171.11728	0.9
173.13240	0.7
175.11169	0.8
175.14836	2.6
179.10698	2.9
189.12688	0.9
189.16370	1.4
199.14867	2.7
217.15901	2.4
235.13216	1.1
235.16931	26.0
258.10666	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
51.02366	1.3
53.03933	1.7
55.01870	2.5
55.05512	10.4
57.07077	16.1
59.04995	5.4
62.59328	1.1
67.05508	19.6
69.03426	7.9
69.07072	16.1
69.07429	2.1
70.16596	3.7
70.61964	1.3
71.05009	7.7
71.08607	1.4
79.05500	12.8
79.55949	1.1
81.03411	1.4
81.07059	29.9
81.65556	1.3
82.13511	1.0
83.04975	3.3
83.08627	7.4
85.06537	4.0
91.05479	21.0
93.07052	27.5
95.04976	10.4
95.08613	35.8
97.06541	15.2
97.10190	1.8
99.08099	2.1
99.95149	1.4
101.06030	1.2
102.57632	1.3
105.07032	36.5
107.08598	37.4
109.06516	11.6
109.10158	21.9
111.08089	5.1
113.09631	1.6
115.05462	1.9
117.07006	6.6
119.08588	99.8
121.06525	4.0
121.10155	24.3
123.08090	6.2
123.11727	8.3
125.09679	2.1
128.06216	1.8
129.07027	3.0
131.08583	15.8
133.06509	2.2
133.10136	60.8
135.08072	18.2
135.11699	17.6
137.09645	9.0
137.13289	2.1
139.11169	2.9
141.06929	1.8
142.07785	4.5
143.08543	9.4
144.09363	1.9
145.06499	2.0
145.10115	15.8
146.07222	2.8
147.08069	7.4
147.10564	0.8
147.11703	22.8
149.09683	5.9
149.13269	3.8
151.11201	11.8
151.14764	1.9
156.09355	4.2
157.10136	13.5
158.10931	3.2
159.11674	14.4
161.09628	66.8
161.13242	9.8
170.10890	1.6
171.11670	7.7
173.13257	25.1
174.13966	1.3
175.11169	11.9
175.14824	18.4
177.12746	4.7
179.10689	16.7
184.12506	2.7
187.11244	1.3
187.14864	3.6
189.12782	3.9
189.16383	20.9
191.14345	4.6
191.17972	2.6
193.12305	2.1
193.15918	4.3
199.14812	14.2
202.13507	2.1
204.96182	1.1
217.15891	100.0
217.19191	12.6
218.16364	1.2
219.83220	1.1
235.16948	99.3
235.20450	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	234.135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03584	0.3
54.07315	0.3
55.05518	1.1
57.03432	2.4
59.93942	0.3
69.38409	0.3
71.32765	0.3
72.55555	0.3
73.21651	0.3
79.05486	0.9
81.07054	4.3
94.04051	0.9
100.76050	0.3
119.03556	2.4
136.06192	100.0
137.04585	0.8
148.06168	0.5
159.07396	0.2
173.08147	0.4
190.10896	1.8
217.10699	0.4
234.13507	71.8
235.13860	0.3
237.44087	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1489
Annotation	Metolachlor morpholinone
Peak:m/z	Relative Intensity
55.05499	0.2
56.99096	0.2
69.27518	2.0
83.25402	0.2
91.05508	0.3
98.21552	0.5
98.97600	0.3
105.07009	0.3
111.04420	0.3
117.05746	0.2
118.06532	0.3
118.97655	0.2
119.08559	0.3
130.06487	0.5
130.44730	0.2
131.07304	0.3
131.08548	0.2
132.08073	0.5
136.06201	0.6
144.08109	0.4
146.09647	0.4
160.11244	0.8
165.07925	0.2
174.09950	0.3
176.07080	20.7
177.07738	0.4
188.07063	0.3
189.15073	0.5
190.06906	0.5
190.08636	8.9
191.09425	2.2
192.10197	0.9
195.26149	0.2
204.10190	7.1
205.10962	0.3
213.07840	0.7
216.13849	0.3
217.10773	0.7
218.11786	0.4
234.14902	100.0
235.15259	0.6
237.42090	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	234.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.9
57.03440	1.7
59.05007	3.5
59.39462	0.6
61.02935	0.8
69.07061	0.8
70.02954	6.4
70.89363	1.4
70.89704	0.8
71.08616	3.0
72.04517	14.8
73.02925	1.4
74.02460	1.0
79.05492	5.0
81.07059	20.5
83.08624	4.5
90.05558	100.0
95.08637	0.9
97.06540	0.8
98.02418	15.0
99.08099	9.3
100.03974	1.6
100.11264	0.7
101.09637	1.5
102.05556	2.2
103.05882	1.6
109.06520	24.3
110.09684	2.1
111.04435	1.1
116.02685	0.8
116.03471	11.8
117.09132	2.6
126.09218	0.6
127.07594	3.4
129.05432	0.6
136.06194	8.3
138.00401	0.6
138.09146	17.7
145.08517	1.2
155.06984	1.5
156.10194	4.2
170.11807	2.1
173.08112	1.5
180.10214	2.6
188.12817	1.4
189.07397	2.6
190.10902	1.0
198.11261	31.0
216.12321	24.1
216.14439	0.7
217.10638	3.7
234.13376	52.7
249.01772	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
55.05520	8.8
56.96571	0.8
57.07080	16.8
67.04070	0.5
69.03422	0.7
69.59205	2.5
72.05715	0.5
79.05500	0.5
81.07070	0.7
85.01132	0.8
86.00700	0.6
87.08112	100.0
91.05490	1.0
98.21422	1.0
98.97601	2.3
102.03796	1.2
105.07085	0.6
106.06540	0.6
111.04465	1.2
120.08118	0.9
126.56617	0.5
131.01663	1.6
131.08586	0.8
132.01152	1.8
136.06206	7.2
136.49713	0.7
148.04268	11.9
148.11261	2.2
150.76517	0.5
155.07106	1.1
157.64543	0.5
158.99750	0.6
159.04819	1.3
164.11613	0.9
173.08147	1.4
174.08977	2.8
190.12352	0.8
199.09525	0.6
202.08998	7.5
213.07732	0.8
216.10313	2.5
217.10747	3.6
222.08392	2.0
222.58412	0.5
234.11502	11.8
234.13606	4.1
248.88480	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1748
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
53.24541	3.3
55.01843	3.9
55.05513	29.3
57.03426	6.5
57.07074	4.5
67.05515	28.6
69.03422	6.3
69.07074	26.4
69.27573	30.2
71.04990	18.4
79.05495	20.6
81.07056	83.5
83.04986	8.3
83.08627	20.7
85.02892	3.5
85.06549	22.4
91.05483	27.1
93.07040	29.4
95.04982	6.2
95.08613	100.0
97.06544	30.1
97.10168	9.2
98.20771	5.0
99.04504	4.4
99.08096	14.9
105.07027	46.4
107.04935	5.2
107.08608	15.3
109.06517	7.2
109.10149	16.2
111.08125	4.0
115.07523	3.9
117.07032	7.2
119.04927	4.8
119.08584	47.3
121.06496	10.9
121.10137	12.1
122.23158	3.8
123.08082	9.8
123.11754	4.2
131.08566	10.6
133.10149	41.4
135.08049	6.8
135.11690	28.5
137.09651	5.1
137.13252	24.4
145.06458	7.1
145.10118	21.3
147.08099	3.3
147.11649	6.7
159.08124	4.9
159.11679	11.8
161.13264	92.9
163.11168	14.2
173.09682	14.3
173.13266	9.4
179.14322	70.4
187.11165	15.4
187.14740	5.3
197.15358	41.0
204.43954	3.4
205.08450	6.3
215.10770	8.8
215.14334	7.3
215.16277	6.1
215.18086	4.2
233.08101	7.5
233.11734	12.9
233.15269	24.5
233.18997	10.0
241.81227	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	233.1537
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
51.16992	0.6
53.03960	1.6
54.66926	0.7
55.01882	1.0
55.05511	3.3
57.07074	3.1
59.04996	0.7
67.05510	7.5
69.03431	14.0
69.07070	2.8
70.63844	0.9
70.64178	1.3
71.04994	1.1
79.05492	14.1
81.03412	1.0
81.07053	13.0
83.04990	1.9
83.08624	2.5
85.06535	2.1
86.09713	0.8
91.05482	15.2
91.06025	1.4
93.07048	11.0
95.04975	26.9
95.08614	5.3
97.06548	1.2
100.57638	0.7
103.05470	1.4
105.07038	15.6
107.04963	10.6
107.08596	16.1
108.79058	0.7
109.02878	2.2
109.06510	6.8
109.10172	6.5
111.04449	1.6
111.08095	1.8
111.38407	0.6
115.05463	1.8
116.06280	0.9
117.07002	7.3
119.08586	100.0
121.06496	6.4
121.10142	14.6
123.08070	1.9
123.11726	5.5
125.09617	0.9
128.06175	0.6
129.06950	3.9
130.07773	1.1
130.75995	0.7
131.04893	1.0
131.08578	15.7
133.06494	7.0
133.07387	1.2
133.10133	9.5
135.08040	3.2
135.11725	1.3
137.09569	1.7
141.07014	1.4
142.07806	2.1
143.08585	3.1
144.05696	0.9
145.06487	3.1
145.10115	14.1
147.08046	3.0
147.11708	3.7
149.09613	10.3
149.13258	1.7
151.07675	0.8
151.11189	1.5
153.08981	0.7
155.08585	4.4
156.09344	3.2
157.10153	7.8
158.07184	1.0
158.10924	1.9
159.08046	5.6
159.11700	5.8
161.09625	1.6
161.13251	1.6
163.11232	3.3
167.07173	0.8
167.08556	3.7
169.10071	3.6
171.11696	6.9
172.12457	1.5
173.09662	8.1
173.13272	10.9
174.10548	0.8
175.11200	4.2
177.09087	1.9
182.10927	5.7
185.09567	1.0
187.11214	3.3
187.14827	7.6
189.12766	9.1
191.14308	12.6
197.13251	11.3
200.11987	1.3
205.15923	1.0
215.10866	1.7
215.14302	17.9
215.17732	1.2
233.07866	1.4
233.15366	60.0
233.19032	1.9
233.20868	6.0
233.22989	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1538
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03931	1.6
55.01860	0.6
55.05510	3.4
56.96565	0.8
57.03435	0.7
57.07062	2.1
67.05180	0.6
67.05504	3.6
69.03432	4.9
69.07060	2.2
70.07958	2.1
70.21297	0.5
71.04978	1.3
72.81232	0.5
77.03910	0.5
79.05499	32.3
81.03382	0.5
81.07073	3.9
83.04991	2.9
83.08614	4.0
85.02921	0.7
85.06544	3.7
91.05488	5.9
93.07054	7.1
95.04980	5.6
95.08612	3.5
97.06516	2.2
99.08080	1.0
101.65859	0.6
103.05482	0.6
103.35506	0.6
105.04491	1.0
105.07034	10.9
107.04962	34.5
107.08595	8.8
109.06540	2.9
109.10128	2.0
111.04413	1.1
111.08107	3.0
113.05987	1.2
115.05460	0.6
117.07044	4.9
119.08584	14.6
121.06493	2.7
121.10161	6.6
123.08046	1.6
123.11727	0.6
125.09618	2.3
129.06999	2.1
131.08578	12.6
133.06444	1.0
133.10141	9.2
135.08057	3.7
135.11729	0.9
137.05997	0.8
137.09639	6.0
139.79689	0.5
140.79713	0.6
141.06935	0.9
142.07768	2.4
143.01765	0.6
143.08568	2.6
145.06512	0.9
145.10129	13.1
146.10884	0.7
147.08051	14.6
147.11700	13.5
149.09618	6.0
149.13240	2.5
153.09085	1.5
156.09344	1.3
157.10141	6.9
158.10918	2.5
159.08037	1.7
159.11697	1.2
160.08850	1.6
161.13271	1.0
163.07530	0.7
163.11150	3.9
167.08511	0.6
169.10091	1.0
171.11707	2.9
172.12509	1.2
173.08029	0.6
173.09618	1.1
173.13263	11.3
175.11192	22.4
177.09103	1.0
180.54454	0.5
182.10953	1.0
187.14813	4.8
189.03201	0.9
189.04944	1.5
189.12747	9.4
191.14316	43.3
193.48053	0.6
197.13173	2.9
198.03687	0.6
205.15918	1.1
215.14308	10.5
227.34433	0.6
233.15373	100.0
234.15723	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	2.0
58.06614	0.5
71.12192	0.8
72.08161	0.5
74.06086	2.0
75.47276	0.6
84.04523	0.6
85.02895	0.6
91.05500	0.8
94.93906	0.5
102.05550	100.0
115.05447	1.1
117.07066	1.4
118.06551	13.9
118.07364	1.0
130.06538	0.5
142.06552	1.3
143.07329	1.9
144.04536	0.5
144.08087	8.1
146.06023	36.5
170.06020	2.5
188.07079	52.5
189.07394	0.6
218.60559	0.5
233.08028	1.0
233.12930	9.6
233.15181	0.6
233.50372	0.5
234.13379	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46957	10.8
61.82745	10.3
67.97521	12.3
69.82072	51.9
132.07767	13.1
140.96117	13.2
143.01985	12.2
143.88501	10.7
157.21133	12.2
161.19878	12.8
214.81973	13.0
233.04298	18.8
233.06367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Drupanin
Peak:m/z	Relative Intensity
55.01865	0.5
55.05503	0.8
56.96555	0.4
61.26679	0.2
67.05492	1.3
69.03432	1.6
69.07067	0.5
70.82813	0.5
70.83142	0.5
71.04993	0.4
79.05493	2.2
81.03412	0.3
81.07050	1.2
83.04985	0.3
89.07163	0.4
91.05477	2.5
93.07021	1.3
95.04964	1.1
95.08595	0.8
97.06512	2.0
99.04457	0.7
103.05441	0.5
105.07029	2.9
106.55814	0.3
107.04996	0.6
107.08604	1.1
109.06543	1.0
109.10144	0.4
111.04429	0.4
115.05482	0.8
117.07008	1.6
119.04958	0.5
119.08601	2.5
121.06509	2.0
121.09784	0.9
123.08061	1.5
123.78369	0.4
128.06267	0.6
129.07034	1.7
130.07802	0.9
131.08604	2.3
133.06544	0.4
133.10146	0.7
135.08061	100.0
136.08437	0.5
137.05969	1.3
139.07561	1.0
141.07028	1.0
143.08575	0.8
144.05688	0.4
144.09332	1.1
145.06471	1.7
145.10136	3.3
147.08005	0.4
147.11685	0.5
149.05983	0.3
151.07542	2.2
153.07024	0.3
154.07793	0.8
155.08633	0.7
156.09325	1.5
157.06476	1.7
157.10159	0.3
157.17026	0.4
158.07274	3.0
159.08081	3.5
159.11708	6.2
161.09637	0.5
163.11185	1.1
169.10115	2.2
171.08150	0.3
171.11674	0.5
172.08844	7.1
173.08122	0.7
173.09633	13.9
175.07556	1.1
182.07317	0.3
187.07574	0.4
187.11194	11.6
189.12747	0.8
191.10683	0.5
196.96455	0.3
197.09663	1.3
200.08427	0.6
205.12209	0.5
215.10683	19.7
215.17819	0.5
216.10829	0.4
233.08109	0.6
233.11719	8.4
233.15065	1.5
233.17288	0.4
233.22237	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	232.2062
Annotation	Muscopyridine
Peak:m/z	Relative Intensity
52.18559	0.3
53.69946	0.3
55.05502	1.4
56.96556	0.6
60.19464	0.4
67.04238	0.4
67.05505	0.6
69.03404	0.5
69.07057	0.5
70.06599	3.0
70.31597	1.7
78.34203	0.4
78.35393	0.4
79.05499	0.6
79.55417	0.3
81.07049	0.8
83.04991	3.3
83.07349	0.4
84.08150	0.5
85.02874	0.4
89.07380	0.4
91.05495	0.8
93.07052	0.9
95.07314	0.6
95.08645	0.7
96.08105	0.8
97.32348	0.4
105.07037	4.0
106.06596	0.7
107.08575	0.8
108.08121	0.8
111.04436	3.2
119.08570	0.6
120.08120	3.2
121.08886	1.4
122.09651	2.2
134.09662	1.6
146.09647	0.9
148.11166	1.8
150.12801	4.2
158.01262	0.9
159.11752	0.5
160.11331	0.5
164.98038	0.4
167.01799	1.4
170.01402	0.4
172.00992	1.6
173.11946	0.4
174.12779	4.3
175.51976	1.1
176.14392	0.6
181.01407	0.8
188.02295	2.4
188.14372	2.5
188.52505	0.8
189.51704	1.3
190.15894	2.5
197.02852	6.4
197.53017	2.3
199.53070	1.0
200.03270	0.5
202.15878	1.2
203.16695	6.3
204.17508	0.6
206.03380	0.9
208.53670	2.3
232.20619	100.0
233.20970	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.6
53.03941	2.4
55.01863	1.3
55.05272	0.9
55.05516	13.5
56.89287	0.6
57.03432	1.5
57.07082	6.8
57.34446	0.7
59.04994	0.9
61.91813	0.6
67.05179	1.1
67.05511	13.1
68.99792	1.4
69.03080	1.0
69.03434	15.0
69.07075	17.1
70.06595	0.8
70.72061	1.2
70.72410	1.1
71.05003	5.2
71.08627	1.3
72.08167	0.9
74.02443	1.1
79.05070	0.8
79.05499	12.6
81.03427	6.5
81.07064	42.5
82.90543	0.7
83.04980	1.0
83.08624	14.8
84.04517	3.1
84.08142	1.0
85.02911	8.0
85.06078	0.8
85.06548	10.5
85.10183	1.4
87.00813	2.9
91.05494	4.6
93.07052	27.1
95.08615	64.4
97.02911	5.1
97.06533	2.2
97.10185	8.5
99.04459	2.8
99.08098	6.1
99.61330	0.7
102.12810	3.4
105.01875	0.6
105.07052	3.5
105.82558	0.5
107.08604	48.0
109.02888	3.0
109.10165	31.2
109.10942	0.9
111.08094	4.1
111.11726	2.6
113.09621	1.0
119.08607	1.0
121.03986	1.8
121.10155	54.4
123.11716	9.0
125.09660	1.4
127.03942	3.8
130.05023	1.9
133.10179	0.8
135.10695	1.0
135.11711	15.3
137.13277	9.9
139.11206	4.3
147.04442	1.8
149.13263	6.0
151.14806	3.0
153.12746	1.0
157.06453	0.8
165.16394	5.9
173.05974	0.9
177.16403	100.0
183.17502	5.2
195.17465	27.5
213.16644	0.7
213.18541	3.3
214.14401	1.5
231.06624	2.9
231.14096	1.0
231.17230	2.1
231.19580	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	231.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.1
55.05515	15.5
57.03434	2.0
57.07084	8.6
67.05502	11.7
67.07926	1.1
69.03432	10.7
69.07075	16.5
70.60514	1.9
70.60856	2.4
71.04992	4.4
79.05499	11.8
81.03434	7.1
81.07063	39.8
83.08630	18.2
85.02908	5.6
85.06541	9.5
87.00809	2.9
90.51983	1.1
91.05488	2.9
93.07053	21.4
95.04964	1.2
95.08618	60.8
97.02906	4.5
97.10172	8.2
99.04462	2.9
99.08100	6.9
105.07053	4.9
107.08601	42.7
109.02857	2.5
109.10163	27.1
111.08092	4.4
111.11736	3.4
113.06028	2.5
121.04025	3.1
121.10155	54.5
123.11716	6.9
127.03915	5.7
135.11702	14.2
137.13246	8.7
139.11211	4.6
141.05464	4.3
149.13268	3.4
151.11189	2.0
151.14825	3.7
163.93808	1.4
165.16434	6.3
177.16400	100.0
183.17455	5.1
195.17461	26.3
213.18529	3.8
231.19637	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	231.1704
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03945	0.9
55.01865	0.5
55.05516	9.2
56.05031	0.4
57.03440	0.2
57.05810	0.8
58.06600	0.2
68.99807	0.4
69.03433	6.6
69.07074	0.3
70.06590	0.7
71.04996	0.5
71.10313	0.4
72.08157	100.0
79.05513	0.2
81.03425	2.9
81.07053	0.3
84.08151	0.4
85.02914	2.9
86.09709	5.6
87.00837	1.2
93.07047	0.4
97.02898	2.1
97.06528	0.2
98.97591	0.4
99.04463	1.3
99.05576	0.3
105.01859	0.2
105.07054	0.3
109.02908	1.3
111.04508	0.2
115.05454	1.1
127.03941	2.1
132.10207	4.2
143.04947	0.6
144.04558	0.2
145.05052	0.3
147.04459	0.3
157.06490	0.3
160.05196	0.2
170.11775	0.3
171.04440	0.6
175.07588	0.3
185.09764	0.3
185.16606	1.0
199.03979	0.4
203.07040	1.3
213.05544	0.3
213.12325	0.2
213.16145	0.3
214.06195	0.3
231.06580	2.2
231.14250	0.9
231.17113	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	231.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.8
55.01865	0.5
55.05486	0.8
56.05043	2.1
57.03403	0.6
60.66365	0.4
61.02910	0.4
62.98142	0.6
68.99757	0.4
69.03435	8.2
70.06562	0.6
71.04953	1.1
71.18194	0.5
72.08131	1.1
74.02444	11.1
79.05521	0.4
81.03429	3.5
81.07058	2.8
84.04462	0.4
85.02914	3.7
87.00829	2.3
93.04514	0.9
93.07051	0.5
95.08609	0.7
97.02897	3.8
99.04440	2.1
102.05549	2.1
105.01846	0.7
109.02856	1.3
115.05451	0.6
117.05751	0.5
117.07021	0.8
118.06555	5.0
121.04005	6.6
121.10159	0.4
127.03915	3.4
128.06230	0.6
129.06949	0.6
130.06526	21.8
131.08548	0.7
132.08057	1.2
141.07008	1.0
142.06512	0.7
143.07317	12.9
143.08443	0.6
144.05688	0.6
144.08078	8.1
146.06018	14.9
147.04388	0.7
154.06503	7.7
155.07277	0.9
156.08113	2.5
157.08891	3.5
158.09654	100.0
159.09068	0.7
167.07320	0.9
168.08090	20.7
169.08838	1.7
170.06013	1.0
170.09648	1.9
172.07591	1.6
173.05988	1.6
176.00130	0.4
177.16444	0.8
185.10776	1.2
187.12376	0.7
188.07063	23.2
190.13141	0.8
196.07582	1.5
213.03909	0.6
214.08638	23.8
231.11322	19.5
231.15752	0.9
237.12332	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	231.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
56.05040	2.4
57.03423	0.5
68.18890	0.5
69.03144	0.5
69.03440	5.1
69.07030	0.5
69.57687	2.8
69.58096	1.1
71.04993	0.8
72.08144	0.5
74.02094	0.5
74.02444	6.8
81.03403	2.3
85.02911	2.7
86.09686	0.8
87.00814	0.6
87.33384	0.6
89.93055	0.4
93.07058	0.5
97.02894	1.1
98.21512	0.5
99.04443	1.2
102.05545	2.2
104.09039	0.5
109.02856	0.7
115.05454	0.7
117.07017	0.9
118.06523	6.6
127.03905	2.0
129.07016	0.5
130.06534	20.7
131.08591	0.7
132.08110	1.4
139.12868	0.5
143.07295	11.2
144.08102	8.2
146.06027	13.6
147.04420	1.1
154.06520	8.1
155.07370	0.6
156.08098	2.1
157.08917	3.5
158.09660	100.0
167.07314	0.9
168.08096	20.2
169.08908	1.1
170.05998	1.1
170.09660	1.8
172.07619	1.3
185.10759	2.0
188.07076	22.8
196.07556	1.8
214.08635	24.5
231.11320	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	231.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36438	0.5
51.81007	0.4
52.86704	0.4
53.03951	12.0
55.01877	2.5
55.05515	2.8
56.96558	0.5
57.03437	5.5
57.07076	0.8
59.05012	0.6
61.02934	2.8
65.48062	0.5
67.05515	3.1
68.99809	2.7
69.03434	100.0
69.07079	3.6
69.40799	2.1
69.41230	1.3
70.06580	0.6
71.01360	0.6
71.05000	13.2
72.08180	0.9
73.02932	0.7
74.02480	0.8
79.05501	2.9
81.03422	49.8
81.07068	7.0
83.01347	1.3
83.04983	1.5
83.08618	1.8
84.04522	0.8
85.02910	54.4
85.06541	1.2
87.00835	25.5
87.04481	0.7
91.05509	2.0
93.07052	4.9
95.04999	0.8
95.08609	6.9
95.09168	0.5
97.02898	24.2
97.06561	1.0
97.10204	0.8
99.04459	27.3
99.08086	1.1
99.68394	0.5
102.12875	0.5
105.01865	5.1
105.03419	0.7
105.07064	1.0
107.08598	5.9
109.02886	25.2
109.10142	3.6
109.81126	0.4
111.00814	1.2
111.08090	0.9
111.11763	0.6
113.09656	0.5
115.03924	0.6
115.05504	1.2
117.07009	2.4
119.08602	1.1
121.04012	1.0
121.10163	6.9
123.08082	0.5
123.11733	1.4
127.03925	36.0
129.07051	0.6
131.08609	0.7
133.10162	0.6
135.11691	2.4
137.13261	1.1
139.03873	0.5
139.11259	0.8
144.05721	9.1
145.05002	2.9
145.06534	6.2
145.10127	0.8
147.00128	0.5
149.13303	0.9
153.01875	0.9
159.11703	0.9
165.16434	0.8
173.05997	34.5
175.07591	0.5
177.12883	0.7
177.16396	10.1
183.17418	0.7
185.07132	2.9
195.13826	2.1
195.17410	2.7
213.03914	3.7
213.14809	0.9
213.16632	0.6
231.04904	8.5
231.07721	1.4
231.10007	5.5
231.13954	1.5
231.17528	1.1
237.12413	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1904
Annotation	ROLICYCLIDINE
Peak:m/z	Relative Intensity
53.82394	0.2
55.05503	0.2
57.03429	0.2
58.06585	0.5
67.05496	0.5
68.05847	0.4
69.03429	0.3
69.07072	0.3
70.06611	0.3
71.18307	0.3
79.05463	0.2
81.03427	0.2
81.07069	0.2
82.07401	0.2
84.68105	0.2
86.06078	0.8
91.05479	0.2
93.07041	0.2
95.04986	0.2
95.08594	0.3
97.02884	0.5
97.37076	0.2
97.98600	0.2
98.06054	1.0
98.62839	0.2
109.10155	1.2
110.10486	1.8
119.08574	0.3
120.08910	0.2
124.12037	0.3
127.11182	0.4
128.11519	0.6
130.06522	0.6
131.07317	0.2
133.10104	0.2
137.59352	0.2
138.09938	0.2
148.12085	0.4
150.97432	0.1
158.09587	0.8
159.10388	0.2
162.09952	0.2
172.11253	1.2
173.12024	2.7
180.11076	0.3
182.08130	0.3
186.12779	0.9
187.13560	7.5
188.14380	0.9
194.08130	0.5
198.12088	0.2
200.14360	1.5
201.15108	0.5
202.15926	0.4
212.09210	0.8
212.16525	0.3
214.15932	7.5
215.16714	1.8
230.19049	100.0
231.19345	0.5
245.10834	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	230.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01870	1.2
55.05522	5.7
56.05838	1.4
57.03424	1.3
58.06602	3.8
67.05513	2.9
68.05844	1.3
69.03439	4.1
69.07090	1.9
69.55804	2.5
69.56216	4.1
70.02949	1.1
70.06596	4.5
70.07411	1.3
71.04990	1.4
74.02451	2.0
74.95544	0.9
78.18533	0.9
79.05522	1.9
81.03413	2.8
81.07081	2.0
81.10316	0.9
82.04198	0.9
83.05014	1.6
83.08630	3.9
83.86193	1.0
84.04495	2.4
84.08149	1.5
84.08960	3.0
85.02921	2.6
85.06539	1.8
86.03624	0.9
86.06079	3.9
86.06913	1.0
86.09712	1.4
87.02715	1.2
91.05479	4.7
93.07050	3.9
94.07388	2.3
95.04952	1.5
95.08616	1.4
97.02902	2.2
98.02417	1.2
98.06065	3.8
99.04510	1.4
99.08109	2.7
100.05110	15.1
100.08492	1.4
101.04817	2.5
101.05457	5.2
105.07032	9.8
106.07456	1.0
107.08634	2.9
109.02887	1.4
109.06547	1.0
109.10159	1.2
110.10479	1.3
115.05579	0.9
116.07127	3.7
117.07004	1.6
119.08591	15.6
124.42414	0.9
124.69865	1.0
126.05553	4.4
128.04591	1.3
128.06230	1.5
128.07123	4.5
130.06552	2.6
130.07794	3.2
131.06883	4.3
131.08578	3.7
133.06485	9.1
133.10150	1.8
134.10518	2.1
141.07010	1.2
143.08612	2.7
145.10136	21.3
146.06096	1.1
147.08067	2.5
147.11699	31.9
150.09125	2.6
156.09319	8.6
159.08109	1.1
161.13255	1.4
170.12611	1.5
171.11708	7.6
174.10454	1.9
178.08714	4.4
184.07509	2.3
184.08881	2.2
189.12764	86.7
194.08226	2.5
194.16318	1.3
212.09192	1.6
212.17325	2.0
230.15468	100.0
230.19153	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	229.18
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
50.15622	4.8
51.70079	5.1
53.63961	5.4
55.01873	10.8
55.05503	18.4
57.03433	19.4
57.07061	10.2
59.05015	6.5
61.02926	5.7
67.05228	5.5
67.05516	60.6
69.03421	16.7
69.07078	25.3
70.67848	10.4
70.68176	6.5
71.04987	18.8
79.05508	10.9
79.75772	5.2
81.07070	36.1
83.04981	12.6
83.08619	12.4
85.02877	5.9
85.06540	10.7
91.05468	21.2
93.07056	28.9
95.04948	9.4
95.08623	71.3
97.02872	12.5
97.06508	6.1
99.08114	32.0
105.07023	17.4
107.04977	8.2
107.08615	42.1
109.06480	7.1
109.10172	100.0
111.08083	11.3
113.02337	5.5
119.08589	51.8
121.10143	16.0
123.08073	14.1
123.11697	24.4
125.09625	19.4
125.67264	5.5
133.10133	26.2
135.11705	35.0
136.23349	5.2
137.06003	6.3
137.09615	16.7
138.26927	5.3
139.07494	6.1
143.03395	4.9
147.11696	7.6
149.13271	11.8
151.11220	6.9
153.12781	7.9
155.07066	6.6
155.10699	8.1
165.09210	6.5
167.07085	9.1
173.11717	11.4
175.14845	42.7
193.08643	8.7
193.16035	29.6
211.17050	27.6
229.08598	15.7
229.14267	15.0
229.23521	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	229.18
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95550	2.4
55.01872	16.7
55.05516	12.5
57.03442	17.9
59.04993	6.3
67.05507	76.4
69.03452	2.8
69.07064	15.1
69.65305	12.4
70.06588	4.8
71.01353	3.0
71.04998	10.7
72.83117	2.0
79.05502	13.1
81.07060	44.7
83.08627	12.9
85.06537	8.5
91.05489	17.0
93.07042	32.5
95.04984	5.8
95.08614	37.2
97.06532	3.4
99.04488	2.1
99.08088	10.6
101.02387	5.9
105.07038	39.8
107.04942	9.3
107.08603	52.4
109.02847	6.0
109.06512	2.1
109.10165	73.2
111.04456	2.8
111.08070	3.6
113.02380	14.5
113.09669	2.3
117.07024	3.1
119.04922	2.6
119.08586	77.1
120.05676	2.2
121.06438	3.2
121.10144	12.6
123.08052	3.2
123.11730	9.8
125.02354	11.1
129.07028	2.7
131.08582	2.3
133.10141	63.5
135.04436	8.9
135.11697	69.4
137.05963	2.4
137.09613	8.7
145.10065	2.2
145.23549	2.4
147.08080	3.7
147.11707	11.5
149.09610	5.6
149.13258	4.8
151.07504	6.1
155.07022	8.8
155.10693	9.6
162.01755	2.5
163.14828	47.6
165.09096	14.0
167.07037	6.2
167.10640	4.6
171.11230	2.2
173.11761	15.0
175.13307	4.8
175.14835	100.0
181.15825	9.0
193.15897	43.9
211.09848	2.5
211.16910	19.9
229.08661	11.9
229.10574	11.4
229.14160	25.2
229.18115	4.9
242.23099	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	229.1799
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
51.22897	0.9
55.05302	0.8
55.05517	8.2
57.07069	2.3
59.04993	3.0
61.67805	0.7
62.78641	0.8
67.05507	10.9
69.07078	3.9
69.56606	2.9
69.57026	2.3
69.83274	0.7
71.04996	7.6
79.05492	2.0
79.21872	0.7
81.07059	7.6
83.04978	1.6
83.08626	7.5
85.06541	2.6
86.09745	0.7
91.05487	1.5
93.07050	7.8
95.04971	12.1
95.08611	25.5
97.06539	2.5
98.21458	1.5
99.04473	9.8
99.08096	100.0
101.06025	1.2
105.07031	2.4
105.70406	0.7
107.08594	6.6
109.06499	1.5
109.10161	47.2
111.08071	2.6
111.55613	0.8
113.05975	1.6
113.09666	1.4
117.09141	3.2
119.08603	5.5
121.10150	3.4
123.08105	2.1
123.11732	2.6
123.38937	0.7
125.09646	0.8
127.11221	2.8
133.10167	3.8
135.11694	10.1
137.09627	13.7
139.11197	1.7
151.11165	1.8
151.14841	1.5
153.12802	2.9
155.10675	20.9
165.16449	0.9
169.26564	1.0
175.14836	6.8
183.83069	0.8
193.15904	11.6
211.16940	32.7
229.17937	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	229.18
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
55.05515	11.7
57.03420	1.5
57.07079	2.0
59.05000	2.7
67.05504	19.5
69.03419	1.9
69.07070	9.1
71.01344	1.4
71.05003	8.1
71.19833	3.2
78.52609	1.4
79.05485	4.6
81.07059	12.3
83.04969	3.0
83.08612	12.1
85.06534	4.5
87.04430	1.6
91.05510	3.4
93.07040	11.6
95.04993	14.8
95.08611	35.7
97.06529	4.0
98.83450	1.5
98.97604	2.0
99.04483	9.2
99.08096	100.0
104.34646	1.6
105.07040	3.6
107.08597	22.4
109.10163	60.0
111.08089	4.1
111.11717	3.3
113.09646	3.8
114.92397	1.5
119.08575	11.1
121.10152	6.0
123.11717	4.5
125.13212	1.9
127.11199	6.9
133.10146	7.3
135.11703	37.0
137.09644	12.8
142.36777	1.7
147.11661	1.9
148.01176	1.6
149.13240	3.4
153.12759	24.0
155.10660	24.9
171.13829	10.6
175.14835	14.7
193.15913	13.4
211.16940	42.6
229.17964	8.0
238.85811	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	229.18
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
53.03950	1.5
55.01865	2.7
55.05515	15.7
57.03435	8.5
57.07079	2.6
59.05006	4.1
60.55116	1.4
67.05509	53.8
69.03432	4.7
69.07074	19.7
69.07449	1.0
69.17226	1.1
69.26358	11.3
70.06618	1.9
71.01374	1.8
71.05002	11.0
71.08645	1.6
78.38183	1.3
79.05497	6.9
81.07058	22.9
83.04969	4.0
83.08624	16.0
85.06548	8.6
87.04504	1.5
91.05493	7.2
93.07054	21.7
95.04989	15.1
95.08614	44.5
95.58902	1.2
97.06531	5.7
97.10237	1.7
98.97588	3.9
99.04462	7.7
99.08102	100.0
105.07002	5.9
107.08607	33.7
109.06535	3.6
109.10165	93.4
111.08093	6.4
111.11747	3.7
112.99241	1.9
113.06003	2.4
113.09631	5.8
113.25063	1.2
115.00639	1.3
119.08595	20.2
121.10145	8.9
123.08071	2.5
123.11704	6.5
125.09602	2.6
127.07550	1.2
127.11203	7.8
133.10152	12.2
135.11700	51.6
137.09616	15.6
147.11679	3.1
149.13274	3.2
151.11188	3.9
151.14848	2.5
153.11502	2.4
153.12741	29.7
155.07152	1.9
155.10670	25.8
165.09109	1.3
165.12793	1.8
169.12231	1.5
171.13841	11.8
173.01237	2.1
173.11745	8.5
175.14856	19.0
193.12408	1.7
193.15897	16.2
197.05704	2.2
211.13329	2.9
211.16934	39.3
229.14203	14.7
229.17751	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	229.1549
Annotation	Leucylproline
Peak:m/z	Relative Intensity
55.01868	0.4
56.05043	4.0
56.96562	2.5
57.03452	0.9
58.06600	1.2
59.05004	4.2
60.08166	1.4
61.02927	0.6
64.82842	0.4
65.07286	0.3
65.22735	0.3
69.03425	0.7
69.16206	3.7
70.06596	8.1
72.08157	2.4
73.02924	0.4
74.26306	0.3
84.08153	8.2
85.02908	0.9
88.03994	4.5
91.05480	0.8
95.05905	0.4
96.08119	1.7
97.02900	0.5
98.05099	0.3
98.20782	0.7
98.97594	4.7
101.10795	0.6
102.09205	0.7
110.97601	0.5
111.09195	1.9
114.05534	1.0
114.09142	0.7
115.69439	0.3
116.98671	0.6
119.01849	0.5
119.04968	0.5
124.07605	0.5
126.11562	0.4
128.98610	0.6
130.08635	8.4
137.05986	0.9
142.08638	5.7
147.04417	1.2
151.12325	0.5
155.04636	0.7
156.03293	0.4
158.99683	1.1
161.54913	0.3
168.98230	0.4
171.11298	53.2
171.65616	0.4
177.00768	0.6
186.99191	0.7
187.04863	0.6
190.03943	0.4
193.04396	0.6
205.00163	0.7
208.04988	1.5
208.55046	0.9
211.14427	15.3
211.16467	0.8
217.05406	1.6
229.15483	100.0
230.15918	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1799
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
55.05518	6.5
57.07079	1.9
59.05004	2.2
67.05512	9.6
69.03410	0.8
69.07069	3.0
69.68312	2.9
69.68720	1.6
71.04998	6.4
73.27106	0.6
79.05468	1.7
81.07066	6.1
83.04979	2.0
83.08638	5.0
85.06544	2.6
91.05500	1.7
93.07046	6.2
95.04983	10.3
95.08613	22.2
97.06538	2.2
99.04465	9.4
99.08102	100.0
100.11240	1.1
101.93286	0.7
105.07025	1.6
107.08601	6.9
109.06507	1.3
109.10168	39.0
111.08083	2.0
112.51460	0.7
113.06029	1.5
113.09672	2.2
117.09138	2.9
119.08592	4.4
121.10152	3.0
123.08111	1.2
123.11694	0.8
127.11205	1.7
133.10152	3.5
135.11705	8.8
137.09630	12.4
139.11217	1.1
151.11223	1.1
151.14838	2.1
152.22260	0.7
153.12668	1.2
155.10683	17.8
175.14842	6.8
193.15904	10.2
211.16946	28.1
229.18004	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	229.1435
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
55.01869	12.0
55.05520	21.7
57.03441	10.8
57.07083	3.2
59.04996	3.4
65.03931	2.7
67.05509	56.8
69.03423	5.9
69.07076	21.6
70.06590	2.0
71.04990	9.1
71.23143	2.6
71.23483	4.3
79.05501	20.2
81.03429	17.8
81.07059	88.5
83.04993	14.7
83.08622	23.1
85.02897	5.9
85.06548	8.1
91.05492	28.1
93.07056	18.0
95.04970	10.1
95.08616	24.7
97.06555	6.2
97.10190	2.7
99.04432	2.8
99.08095	6.2
105.07030	38.1
107.08603	16.9
109.02881	2.4
109.06553	6.6
109.10162	31.7
111.08055	3.1
117.07022	2.4
119.08592	37.0
121.10147	26.8
123.08073	5.3
123.11712	40.4
125.09620	3.5
127.07551	4.6
127.11285	2.8
129.07022	4.9
131.08572	8.1
133.10132	8.1
135.11708	2.7
137.09590	4.2
137.13303	4.2
143.08551	3.0
147.11694	100.0
155.10670	2.7
157.10095	11.5
159.08026	3.0
159.11777	3.5
165.12769	48.4
169.12186	3.5
173.09612	3.7
173.11734	7.5
173.13272	6.4
175.11183	14.7
175.14886	3.3
183.13828	7.4
187.11218	6.2
193.12233	21.1
201.12712	6.5
211.11269	3.6
211.13263	25.3
211.16931	7.3
229.04929	3.1
229.08629	4.8
229.12204	15.6
229.14386	34.8
229.23586	3.0
230.19040	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	229.1548
Annotation	Leucylproline
Peak:m/z	Relative Intensity
56.05035	6.9
59.05002	4.8
70.06580	0.8
70.81676	0.7
70.82032	0.5
72.08151	1.4
82.35661	0.3
84.08150	9.3
88.03990	3.2
96.08131	2.7
102.09187	0.4
111.09200	2.6
112.07637	0.3
112.97828	0.3
119.67262	0.3
126.11526	0.5
130.08641	8.3
151.12329	0.9
171.11293	87.0
211.14423	16.3
223.19615	0.3
223.21812	0.3
229.15480	100.0
230.15855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
52.69079	1.8
54.20501	1.6
55.01868	8.3
55.05512	11.0
57.03439	9.8
59.04983	3.5
65.03917	1.9
67.05506	67.9
69.03416	6.0
69.07072	10.8
70.06559	1.9
71.04990	6.9
71.53299	2.0
73.06528	1.7
79.05492	9.4
81.07060	36.5
83.04989	14.9
83.08603	4.1
85.06539	6.3
87.55918	2.1
91.05482	31.6
93.07041	17.4
95.04987	3.1
95.08584	6.1
97.06513	3.0
99.00838	2.0
99.08084	4.0
105.07030	32.3
107.08611	31.6
109.06524	4.2
109.10157	78.4
119.08570	6.7
123.08009	2.3
123.11720	15.9
131.08553	5.1
133.10139	100.0
135.11668	2.0
137.09683	2.1
141.09062	2.2
143.08607	2.5
145.10115	3.0
151.11192	91.7
155.08487	2.2
155.10628	3.0
159.11589	2.0
161.09613	2.5
173.11772	6.9
173.13284	2.4
179.10670	13.5
183.13835	18.2
229.12180	3.8
229.13939	11.0
229.19545	3.4
229.23590	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	229.1435
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
51.21797	0.6
53.03945	0.7
55.05511	11.7
56.05862	1.0
57.03441	17.5
57.07080	1.7
59.05011	4.9
62.17665	0.5
65.03947	1.8
67.05508	100.0
68.05851	1.0
69.07076	2.9
69.14603	0.7
69.27235	5.7
71.04987	3.5
79.05505	2.6
81.07062	16.2
82.07408	1.3
83.08630	8.1
84.08942	1.0
85.06532	3.0
91.05485	6.7
93.07051	4.6
95.05009	1.1
95.08610	11.1
96.08947	3.4
97.10181	1.6
98.10532	0.8
99.00840	0.6
99.08076	1.0
103.03949	1.3
105.07037	0.9
107.08602	2.7
109.10162	96.6
110.10529	3.0
111.08061	3.4
119.08593	7.6
119.09364	1.0
120.08939	0.7
121.10112	0.9
123.08104	0.8
124.12063	0.6
133.10126	0.7
134.10532	0.9
137.09642	4.9
145.10156	0.8
147.11713	1.2
155.10675	9.1
163.01877	0.5
173.11745	25.3
176.15186	3.2
194.16173	1.7
229.14336	41.4
229.19595	1.8
229.23509	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.78361	0.7
52.66060	0.6
53.03949	0.6
55.01887	0.7
55.05517	8.8
55.25040	0.7
57.03443	17.0
57.07082	1.9
59.05011	5.4
59.23291	0.6
64.07053	0.7
65.03951	1.4
67.05510	100.0
69.07079	2.9
69.52792	4.2
71.04995	4.5
72.84794	0.7
73.13168	0.6
79.05493	1.9
81.07064	13.7
83.08627	7.8
85.06543	3.5
91.05489	6.9
93.07058	4.5
95.04990	0.8
95.08625	6.8
99.00816	1.1
103.03917	1.1
105.07031	2.0
107.05003	0.7
107.08620	3.2
109.10166	86.3
111.08074	3.3
119.08611	6.2
126.35342	0.7
137.09656	3.8
143.87752	0.8
145.10123	1.0
147.11702	1.8
155.10663	10.5
173.11746	23.6
181.79094	0.8
189.16530	0.7
193.12219	1.2
229.14331	44.0
229.23636	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	229.1437
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
53.03929	0.9
55.01878	5.9
55.05511	7.3
56.96570	0.5
57.03445	4.4
57.07052	1.7
59.04978	1.8
65.03908	0.8
67.05511	36.1
69.03435	1.1
69.07069	9.6
69.38109	4.1
71.05003	3.6
71.08620	0.6
72.08139	0.6
79.05073	0.7
79.05495	10.5
81.03399	0.6
81.07062	44.6
83.04990	4.3
83.08631	5.1
85.02898	0.8
85.06539	4.9
91.05486	21.9
93.07051	10.3
93.71135	0.6
95.04987	4.9
95.08615	14.2
97.02883	0.7
97.06537	9.9
97.10149	1.0
98.97549	0.8
99.00797	1.3
99.04407	0.5
99.08100	3.6
101.06000	1.1
101.80053	0.5
101.84344	0.5
105.07039	26.6
107.04974	2.9
107.08602	10.6
109.06524	6.1
109.10165	20.8
111.04408	1.4
111.08051	2.3
113.05997	3.0
117.06971	1.0
119.08591	25.7
121.06496	1.0
121.09329	0.8
121.10149	14.4
123.04419	1.2
123.08016	2.1
123.10825	1.1
123.11711	19.2
127.07547	1.9
129.07004	6.5
131.08574	6.1
133.06482	0.6
133.10147	8.4
135.08018	1.6
135.11671	0.7
137.09598	2.1
137.13240	1.4
142.07721	2.0
143.08592	1.2
145.10059	3.2
147.07997	1.4
147.11696	70.8
149.09573	3.2
149.13286	0.9
151.11154	0.7
151.14807	0.7
155.08565	1.0
155.10631	1.7
157.10130	17.3
159.07986	0.6
159.11687	2.2
165.12767	31.9
167.07043	1.0
169.06441	0.6
169.10103	1.2
171.11591	1.0
173.09554	1.1
173.11815	5.5
173.13199	1.1
175.11191	17.3
181.10062	0.6
183.11708	1.3
183.13710	1.5
187.11133	0.7
187.14867	0.7
193.08609	0.7
193.12273	6.7
193.15863	0.9
201.16292	1.0
211.11407	0.8
211.13083	3.1
211.14952	1.2
211.16714	1.0
229.08603	10.4
229.14311	100.0
229.17938	2.7
229.19464	1.9
230.19020	3.2
238.95206	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
50.98423	1.8
55.01868	3.2
55.05516	23.5
57.03440	18.7
57.07081	4.6
59.04992	4.4
60.32278	1.8
65.03947	1.9
67.05507	100.0
69.03414	5.9
69.07065	10.2
70.77945	5.3
70.78292	2.7
70.92287	2.1
71.05023	4.3
79.05497	13.6
81.03421	29.1
81.07060	34.1
83.04980	15.2
83.08620	21.7
85.02888	6.4
85.06553	5.0
91.05489	17.8
93.07037	13.8
95.04958	13.9
95.08594	17.3
97.02876	2.6
97.06511	3.5
97.10145	4.0
98.21463	2.5
98.97587	2.8
99.00871	2.3
99.08112	2.9
105.07018	9.0
107.04979	3.8
107.08604	8.9
107.21532	2.0
109.06532	5.1
109.10155	79.8
111.08095	12.4
114.09173	3.1
119.08592	16.9
121.10146	7.2
123.04414	3.5
123.11728	5.7
125.09592	2.3
129.07014	4.9
131.08543	5.1
133.10126	5.1
135.11667	4.0
137.09608	5.6
145.09996	2.4
147.08035	2.4
147.11682	9.7
149.13242	2.5
155.10626	11.0
157.10150	5.9
169.10118	3.4
169.12280	2.3
173.11761	22.7
175.11185	7.4
193.12234	37.5
200.49783	2.1
211.13286	50.4
211.16925	7.6
229.05063	2.2
229.08606	7.2
229.14233	38.8
229.19527	3.5
229.23567	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	229.1435
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
55.01878	13.6
55.05507	15.3
57.03433	7.4
57.07066	2.8
59.04993	2.3
60.58609	2.2
65.10281	2.3
67.05511	47.8
69.07075	17.0
70.63743	4.7
70.64118	4.3
71.04987	7.0
72.63020	2.5
74.03587	2.2
79.05505	15.0
81.06587	5.3
81.07062	91.4
82.34312	2.3
83.04981	5.7
83.08618	13.5
85.06554	4.0
91.05484	30.1
93.07066	17.0
95.04948	4.5
95.08601	11.7
97.06531	9.3
99.08092	3.8
105.06400	3.0
105.07034	32.9
107.08601	16.0
109.06501	9.2
109.10155	18.7
111.08103	2.6
113.06052	3.7
119.08575	34.2
121.10155	29.7
123.08086	4.1
123.11710	34.0
127.07541	5.8
129.07016	4.5
133.10112	4.4
137.13257	3.6
141.09186	4.1
147.11699	100.0
157.10115	8.3
165.12749	47.4
173.11714	5.8
175.11218	9.2
183.13722	5.1
193.12241	7.4
205.52255	2.3
211.13287	3.2
217.73413	2.3
229.12117	4.0
229.14343	48.0
229.23544	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	229.086
Annotation	Forkienin
Peak:m/z	Relative Intensity
51.23709	0.6
53.03947	1.6
55.01876	2.0
55.05518	4.0
57.03437	7.8
57.07074	0.9
59.05011	1.4
65.03944	1.9
65.87296	0.6
67.05508	30.4
68.99787	3.2
69.03435	1.3
69.07075	1.4
70.06591	1.5
71.04993	1.5
71.53847	0.8
71.80436	0.7
77.03943	1.0
77.88568	0.7
79.05495	5.3
81.03416	1.3
81.07059	6.7
83.04982	0.8
83.08627	2.0
85.02895	0.8
85.06532	1.2
91.05489	39.1
93.07053	2.2
95.04984	4.4
95.08610	5.1
97.06522	1.1
98.97573	1.5
101.00880	0.8
103.03939	0.8
105.04512	0.7
107.04964	93.0
107.08607	2.6
109.02888	2.9
109.10168	28.0
110.03671	0.7
111.04442	6.1
111.08116	1.9
115.05463	1.2
117.06995	1.1
119.04953	31.9
119.08608	3.1
120.05740	9.8
121.02884	6.0
121.06508	0.9
121.10209	0.6
123.04427	4.3
123.54793	0.7
129.06953	1.1
131.04961	1.3
133.06500	0.9
133.10190	1.3
135.04425	65.3
136.05238	5.9
137.09651	2.0
141.07004	3.9
145.06514	4.4
147.04440	0.9
147.11722	1.1
153.07021	3.3
154.07848	0.8
155.08586	4.7
155.10614	3.1
157.06465	1.0
159.08080	1.6
165.07025	17.3
167.07095	0.8
168.05734	1.3
173.06027	1.6
173.11751	9.3
175.14851	1.0
181.06496	1.2
183.08069	12.5
187.03929	0.9
187.07613	1.6
193.06400	3.7
201.09183	1.3
211.07574	7.6
211.17006	3.8
214.06190	1.1
229.04921	2.6
229.08618	100.0
229.14323	13.3
230.09081	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1749
Annotation	erythrinan
Peak:m/z	Relative Intensity
51.43299	0.1
51.92521	0.1
54.06946	0.1
55.01857	0.1
55.05500	0.4
56.96555	0.3
67.05504	0.7
69.03413	0.2
69.07062	0.9
69.33335	1.1
70.06583	0.2
71.04996	0.4
72.08153	0.2
79.05495	0.3
81.03409	0.3
81.07065	0.5
83.04971	0.2
83.08607	0.2
91.05476	0.4
93.07061	0.1
93.77448	0.1
95.04984	0.2
95.08628	0.5
97.02905	0.2
97.06537	0.3
97.10152	0.2
98.21469	0.2
98.97579	1.0
105.07018	0.3
107.08610	0.2
109.10170	0.4
110.97543	0.2
113.09650	0.2
114.09188	0.2
116.98626	0.4
119.08591	0.2
121.10201	0.2
122.06847	0.1
131.08595	0.2
133.10117	0.2
147.11664	0.2
150.06360	0.1
156.08095	0.9
158.09584	0.3
158.82503	0.1
158.99643	0.4
168.07385	0.9
170.09647	0.8
171.10397	1.4
172.11172	0.3
175.06281	0.2
177.00664	0.3
178.05762	0.2
184.11211	1.3
185.12033	0.9
186.12750	0.3
186.56992	0.2
193.12299	0.2
198.12799	1.4
199.13603	0.3
200.14383	0.3
207.09631	0.4
211.13332	0.2
212.14354	25.0
213.15135	3.6
216.10184	0.3
225.66103	0.1
226.15997	0.5
228.17480	100.0
228.23203	2.5
229.17828	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
55.05510	2.2
56.05032	0.8
57.03444	0.5
58.06598	0.4
59.05005	0.3
60.12670	0.3
65.03941	3.7
67.05508	47.8
68.05022	0.9
68.05846	0.5
69.03434	1.0
69.07077	1.2
69.68409	2.1
70.02962	0.3
70.06597	17.3
71.04993	1.9
72.08160	1.4
73.02911	0.9
79.05504	1.0
80.97280	0.3
81.03419	0.7
81.07053	2.4
82.06589	0.4
82.07404	0.8
83.05005	0.6
83.08619	0.5
84.04521	0.7
84.08153	0.5
85.02914	1.0
85.06551	1.7
86.06883	0.4
91.05489	1.1
93.04439	0.3
93.07047	1.6
94.06577	0.4
94.07397	1.1
95.04973	100.0
95.08610	1.2
96.05310	4.0
96.08128	0.4
96.08949	0.6
97.02940	0.4
97.06530	3.6
98.06881	0.8
98.20824	0.6
98.97576	0.4
99.04475	1.1
99.08102	2.6
100.04787	0.4
100.08460	1.2
100.11266	0.5
101.00876	0.7
101.11622	0.4
105.07043	1.0
105.86587	0.4
106.06593	0.8
106.07377	0.5
107.08615	1.5
108.05254	0.4
108.08156	0.4
108.08934	0.7
109.02855	0.7
109.06548	1.0
109.10168	0.8
110.06871	0.6
110.10484	1.0
111.08094	0.5
113.06029	2.5
114.05539	2.0
115.07552	1.9
116.07103	14.8
116.07909	1.3
119.01907	0.8
119.08533	0.8
120.08922	0.6
121.06516	0.5
121.10146	0.9
122.06025	0.4
122.06836	0.6
122.10493	0.7
123.08043	0.4
123.11749	0.7
124.07573	0.4
124.12051	0.4
127.03920	10.9
127.04810	0.7
127.07559	0.6
128.04312	0.4
128.07910	0.7
130.05051	0.4
131.01808	0.4
131.08565	0.8
132.08890	0.7
133.10110	1.8
134.10466	3.7
140.11531	0.5
145.10153	0.3
146.10454	0.7
150.10017	0.6
150.13615	0.7
152.07089	0.6
152.11543	1.2
153.09128	0.8
154.09464	2.1
163.14787	0.4
164.07045	0.8
164.10696	3.0
164.15150	0.5
167.01936	0.8
167.07047	0.5
168.07378	1.4
168.11006	0.4
170.12700	0.4
172.10445	0.5
174.13612	1.7
175.14757	0.5
178.05928	0.9
182.11780	1.6
182.15327	1.8
183.09207	1.0
184.13341	1.9
185.02994	4.1
192.10973	1.1
192.14722	1.6
196.07034	0.6
196.66010	0.4
203.03983	0.6
209.02933	0.4
210.11256	88.0
210.15103	2.4
211.11667	0.7
225.06290	0.6
227.04013	1.0
228.08548	0.7
228.12073	3.7
228.16432	2.3
228.23235	4.4
229.09824	0.9
240.36954	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47413	0.5
51.15264	0.5
51.73374	0.5
51.97844	0.5
56.96561	10.3
57.03456	1.2
61.02920	1.1
69.03418	2.0
69.07066	0.8
70.06595	1.5
71.04820	1.2
72.08167	0.7
73.02920	2.4
74.97608	1.2
79.88342	0.6
81.03436	1.2
81.07004	0.7
84.04499	1.0
84.08167	1.1
84.96058	0.7
85.02913	2.4
86.03690	0.8
95.06121	1.1
96.36481	0.6
97.02891	1.7
97.10180	0.5
97.96796	0.8
98.97595	8.9
99.04436	0.7
109.02880	0.8
109.99186	0.9
110.97582	2.3
116.98621	2.1
119.01907	0.6
124.99168	0.7
127.03956	1.1
128.98659	0.9
132.11766	0.6
133.02887	1.1
137.06001	0.8
138.02290	1.2
140.07103	1.3
142.01680	1.1
143.00114	0.9
145.01752	0.9
147.03186	0.7
149.06059	0.6
155.00125	0.8
155.04663	0.7
156.03336	78.4
158.99678	1.3
161.01384	0.7
162.98911	0.7
163.02750	0.7
167.07101	2.7
168.03337	30.4
168.07401	6.2
169.09711	0.7
174.04408	40.9
177.04138	1.0
178.05779	1.6
182.09317	0.9
186.04408	100.0
187.02896	0.6
188.05008	0.6
192.05504	3.7
193.04420	1.6
197.06010	0.8
198.04613	1.7
201.00706	1.0
202.05110	0.8
204.05458	44.8
205.00256	0.8
207.05246	3.3
209.06010	2.0
210.08530	1.0
216.05814	1.0
222.06462	0.9
228.05457	20.8
228.12312	0.7
228.23235	2.2
229.15463	1.2
237.02754	0.6
246.06506	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	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
55.01871	10.7
55.05511	10.6
56.96569	1.2
57.03440	7.9
57.07082	6.3
57.07312	1.1
59.05004	3.3
61.02930	2.3
65.03936	7.1
65.29175	1.2
67.01894	1.4
67.05511	18.4
69.03432	14.6
69.07069	13.2
69.68351	2.8
69.68758	5.4
69.69884	1.2
70.06600	1.6
71.04996	16.4
72.08138	1.7
72.93806	1.5
73.02921	29.5
75.04475	1.2
77.03933	1.7
78.04730	2.1
79.05498	19.7
81.03410	5.1
81.07058	18.8
82.04188	1.6
83.04992	10.1
83.08617	7.4
84.08147	2.4
85.02901	7.6
85.06548	36.6
86.09707	9.1
88.04004	1.2
89.03932	1.4
91.05492	20.5
93.03423	3.3
93.07046	29.3
95.04974	45.6
95.08604	13.2
97.02883	3.3
97.06540	14.7
97.10188	3.1
98.97603	2.4
99.04461	9.7
99.08102	11.6
100.11262	18.9
103.05461	6.6
105.04572	1.6
105.07035	16.2
106.04147	1.9
107.04958	11.2
107.07876	2.6
107.08593	31.1
109.06514	20.4
109.10172	13.5
110.03670	2.8
111.04478	7.2
111.05565	5.2
111.08090	5.8
112.05111	1.9
113.06038	1.8
113.96392	1.6
115.03959	3.2
115.07577	12.8
117.07030	4.9
119.04942	2.8
119.08588	16.1
121.03003	1.2
121.06509	20.8
121.10139	23.7
123.04431	15.6
123.08067	7.5
123.11724	5.3
124.05247	2.1
125.02341	2.3
125.05998	6.4
125.09637	7.8
127.03928	2.1
127.07561	3.2
129.05490	2.7
129.06982	2.2
130.06630	1.3
131.04950	4.5
131.08582	29.4
131.97386	2.1
132.08060	2.6
133.02820	1.3
133.06494	1.3
133.10139	20.3
134.03757	1.5
135.03555	1.3
135.04405	8.4
135.08047	9.4
135.11713	5.3
137.05988	10.9
137.09650	7.2
138.03145	1.9
138.09145	1.7
139.03883	1.8
139.07541	3.8
139.11182	3.3
140.04694	39.8
142.02599	3.2
143.07108	1.4
143.08591	2.7
145.02863	2.7
145.06451	1.5
145.10129	12.8
147.04475	1.5
147.08046	2.3
147.11642	5.9
148.05220	2.7
149.05978	14.5
149.09627	26.2
149.13232	7.9
151.03909	1.5
151.07462	1.2
151.11172	5.6
152.07094	1.9
153.05493	5.5
153.07130	1.1
153.09116	13.2
155.07039	60.8
159.04448	3.6
161.13266	3.2
163.03969	1.6
163.07553	3.7
163.11211	12.3
163.14848	7.4
165.05519	1.6
165.09125	3.6
166.08694	2.7
167.07043	100.0
167.10674	17.2
171.06567	2.4
171.10161	5.2
173.08163	1.4
173.09703	2.0
173.13257	11.6
177.05487	28.1
179.06993	1.8
179.14381	1.8
181.04973	78.5
181.08592	8.7
181.10133	2.0
181.12074	1.4
183.06502	2.4
185.07213	1.7
191.07077	1.9
191.10670	21.1
191.14317	16.5
195.06561	3.3
200.07068	1.3
209.08099	32.8
209.11635	20.9
209.15259	27.6
227.07306	1.8
227.09206	23.4
227.12691	12.3
227.16121	20.3
227.19704	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	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03944	4.0
55.01868	8.0
55.05503	6.8
57.03442	2.4
57.07059	4.8
59.05004	2.6
61.70045	1.8
65.03934	6.6
67.05512	22.4
69.03435	3.6
69.07071	13.3
70.17777	8.0
71.04999	25.3
72.08125	2.4
73.02924	27.0
73.06548	2.3
79.05497	18.5
81.03408	2.2
81.07063	19.6
82.02586	1.7
82.54827	1.8
83.04970	6.2
83.08621	3.3
83.56747	1.9
85.02915	6.9
85.06548	48.0
91.05495	12.2
93.07057	30.8
95.04976	100.0
95.08619	17.1
97.06541	33.4
97.10168	1.9
98.21354	2.7
98.97585	3.3
99.04459	28.6
99.08101	39.3
100.11267	7.4
105.07043	18.7
107.04951	6.5
107.08601	31.6
109.06525	18.5
109.10155	25.1
110.03696	2.6
111.04446	6.7
111.08121	4.6
113.09656	2.8
115.07572	51.2
117.07043	3.6
119.08589	15.5
121.06497	11.2
121.10158	24.7
123.04437	8.2
123.08154	3.7
123.11701	14.7
125.06055	9.4
125.06873	2.0
125.09640	7.2
127.07568	21.5
127.11163	2.4
129.07010	2.8
131.08566	33.8
133.09117	3.8
133.10135	72.0
135.08095	5.6
135.11728	5.5
137.06000	3.8
137.09636	3.6
139.11174	10.6
140.04692	31.7
142.02625	2.2
145.02808	2.7
145.06442	2.5
145.10147	14.8
147.08069	3.4
147.11732	3.6
149.05972	6.2
149.09642	30.9
149.13260	6.9
151.11194	22.1
153.05507	4.1
153.09116	34.1
155.07053	43.4
155.08360	2.0
158.11029	2.1
163.11201	11.2
163.14799	4.8
165.09146	4.5
167.07039	24.6
167.10689	14.8
169.12234	8.5
171.10110	2.6
173.08281	2.0
173.09673	5.6
173.13301	22.4
177.05511	8.1
181.04970	66.5
181.08589	2.5
191.10698	30.0
191.14304	29.3
209.08168	15.5
209.11757	31.7
209.15303	28.5
210.11378	3.9
227.09192	15.8
227.12793	13.4
227.16208	13.2
230.15941	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	227.1643
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03909	0.8
53.14007	0.7
55.01842	1.7
55.05516	6.1
57.03419	2.5
57.07053	3.3
59.04978	2.3
65.03922	2.0
67.01845	1.0
67.05515	9.1
69.03405	3.6
69.07069	7.5
69.45149	5.4
71.05000	37.1
73.06547	1.2
79.05500	7.8
81.03388	3.2
81.07065	14.3
83.04961	3.4
83.08640	4.3
85.06551	14.1
91.05483	5.1
93.07048	13.7
95.04979	29.1
95.08617	10.7
97.02871	1.3
97.06540	7.2
97.10150	3.2
98.97571	1.4
99.04464	100.0
99.08099	4.1
100.11224	3.6
103.05452	1.8
105.07055	6.6
107.04934	3.6
107.08602	25.2
109.06519	6.2
109.10163	12.5
111.04415	3.1
111.08049	3.0
113.09648	4.4
115.05361	1.2
115.07537	2.7
117.07020	0.9
119.08592	6.9
121.06463	3.3
121.09356	0.9
121.10150	13.3
123.04398	1.9
123.08085	10.7
123.10992	0.8
123.11728	11.5
125.05981	2.0
125.08778	1.3
125.09624	10.7
127.07495	2.3
127.11205	1.9
131.04884	1.0
131.08569	3.7
133.10139	18.2
135.08076	4.0
135.11662	3.7
137.05934	2.5
137.09581	3.1
139.07484	2.3
139.11226	5.6
140.04633	1.6
141.09126	1.9
141.12721	1.4
145.10083	3.5
147.07982	0.8
147.11714	4.5
149.05917	2.9
149.09550	2.8
149.13264	7.1
151.11159	5.6
153.08092	0.8
153.09111	9.5
153.12614	0.9
154.12202	0.9
155.06985	1.6
158.10966	1.0
163.11128	3.4
163.14847	8.9
165.12666	2.1
167.05708	1.1
167.07059	20.2
167.10701	4.1
169.12245	7.2
171.10179	3.7
173.09796	0.7
173.13281	10.0
177.05511	3.7
177.12975	0.7
181.04918	1.5
181.08691	1.0
181.12076	0.9
183.13828	19.6
191.10588	2.3
191.14357	11.1
194.05731	1.0
195.06416	1.0
209.08113	6.2
209.11725	3.7
209.13565	0.9
209.15359	17.0
222.42677	0.9
227.06902	0.9
227.08931	1.3
227.10744	1.4
227.12820	3.7
227.16353	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	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03954	1.9
55.05508	12.9
57.03430	3.3
57.07071	2.1
59.05009	2.5
67.05507	8.3
67.87241	1.4
69.03439	28.8
69.07075	11.7
70.05923	6.3
71.04986	9.8
79.05489	6.8
81.07064	21.0
83.04989	24.4
83.08633	9.7
85.06550	7.2
87.04461	1.9
91.05473	4.6
91.47599	1.5
93.07044	27.1
95.04976	33.8
95.08622	17.8
97.06521	16.6
97.10167	5.5
99.04469	11.2
99.08101	18.0
100.11262	10.0
105.07052	12.5
107.08607	34.4
109.06538	8.5
109.10168	19.9
111.04424	2.9
111.08098	10.2
113.05982	2.1
115.07580	13.9
119.08559	5.7
121.06512	4.5
121.10154	29.9
123.04408	2.2
123.08048	6.0
123.11708	12.3
125.06002	2.4
125.09639	100.0
127.07545	5.2
131.08585	5.0
133.10144	26.9
135.08093	10.0
135.11705	4.9
137.09566	4.0
139.07509	4.5
139.11183	6.0
139.75661	1.8
145.10146	3.0
147.11676	6.4
149.09645	35.7
149.13257	14.3
151.03915	1.6
151.11208	23.6
153.09122	31.6
154.09993	1.8
161.13220	2.7
163.11249	2.5
163.14835	15.5
164.41406	1.6
167.06999	9.0
167.10652	11.1
171.10187	3.1
173.13271	16.6
177.05424	3.2
179.14334	2.3
191.14317	26.4
209.08101	7.0
209.15369	49.6
213.17799	1.9
227.16396	11.6
227.17599	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	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
50.35424	1.7
53.03961	3.1
55.01862	6.4
55.05515	33.4
57.03441	15.5
57.07077	3.6
58.21141	1.7
65.03931	3.1
67.05508	87.0
69.07071	30.4
71.04992	6.9
71.08638	2.2
71.53657	2.5
72.40335	1.7
72.70242	1.9
72.93784	2.4
73.02923	3.4
75.92465	1.7
79.05496	45.1
81.03410	3.3
81.07059	100.0
82.48392	2.0
82.61552	2.0
83.04985	12.7
83.08624	21.6
85.02935	2.3
85.06554	10.6
91.05486	21.8
93.07047	70.8
95.04952	5.2
95.08608	33.1
97.06529	15.4
97.10174	13.8
99.08096	5.6
100.11262	22.5
105.07033	9.0
107.08607	41.7
109.06503	4.7
109.10173	7.7
110.66546	2.1
111.04438	2.2
111.08078	9.2
113.96422	7.1
117.07000	12.5
119.08598	4.0
121.06541	4.3
121.10144	24.1
123.08075	3.5
123.11750	2.3
125.09647	13.5
127.07590	2.0
129.06900	2.6
131.08566	14.5
131.97456	3.5
133.10153	13.4
135.08040	3.2
135.11699	22.5
139.11124	2.2
145.10103	2.9
149.09669	3.5
149.13269	70.2
157.10185	2.2
159.11687	25.1
163.11226	2.6
167.07005	3.1
167.14244	2.6
167.69490	1.7
171.07974	2.1
177.12769	16.0
185.13234	2.6
189.11215	8.1
195.13808	26.0
209.08296	1.9
209.16623	4.0
212.01407	1.7
226.62811	1.8
227.06909	2.2
227.10660	3.1
227.12714	35.4
227.14568	2.2
227.17842	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	227.1644
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03939	4.0
55.01874	5.7
55.05519	26.4
57.03443	11.3
57.07063	8.3
60.17774	2.2
67.05512	82.5
67.60160	3.0
69.03454	3.0
69.07070	26.9
71.04989	9.1
71.53440	3.9
79.05500	44.9
81.03392	2.6
81.07066	100.0
82.55743	2.2
83.05014	12.9
83.08631	22.9
85.06559	9.8
91.05499	20.0
93.07053	70.5
95.04987	6.2
95.08612	36.7
97.06538	14.5
97.10180	8.1
99.08122	5.3
100.11263	19.4
105.07056	11.8
107.08606	34.8
109.06513	4.8
109.10152	6.8
111.08105	12.5
113.96409	3.4
114.08472	2.5
117.07018	12.2
119.08578	5.6
121.10175	20.5
122.42220	2.6
125.09691	4.1
129.06964	2.9
131.08551	14.9
133.10139	13.2
135.08041	3.4
135.11708	21.5
143.08582	4.3
145.10149	4.6
149.09637	2.6
149.13272	67.1
157.10107	4.9
159.11699	27.6
163.11211	2.8
171.11667	4.8
177.12703	14.0
185.13313	4.1
191.14473	2.3
195.13824	20.9
200.10173	2.7
209.16583	5.5
227.10165	10.7
227.12781	15.6
227.17941	19.1
242.91043	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	227.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01874	5.7
55.05519	26.4
57.03443	11.3
57.07063	8.3
60.17774	2.2
67.05512	82.5
67.60160	3.0
69.03454	3.0
69.07070	26.9
71.04989	9.1
71.53440	3.9
79.05500	44.9
81.03392	2.6
81.07066	100.0
82.55743	2.2
83.05014	12.9
83.08631	22.9
85.06559	9.8
91.05499	20.0
93.07053	70.5
95.04987	6.2
95.08612	36.7
97.06538	14.5
97.10180	8.1
99.08122	5.3
100.11263	19.4
105.07056	11.8
107.08606	34.8
109.06513	4.8
109.10152	6.8
111.08105	12.5
113.96409	3.4
114.08472	2.5
117.07018	12.2
119.08578	5.6
121.10175	20.5
122.42220	2.6
125.09691	4.1
129.06964	2.9
131.08551	14.9
133.10139	13.2
135.08041	3.4
135.11708	21.5
143.08582	4.3
145.10149	4.6
149.09637	2.6
149.13272	67.1
157.10107	4.9
159.11699	27.6
163.11211	2.8
171.11667	4.8
177.12703	14.0
185.13313	4.1
191.14473	2.3
195.13824	20.9
200.10173	2.7
209.16583	5.5
227.10165	10.7
227.12781	15.6
227.17941	19.1
242.91043	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	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03940	3.8
55.01874	5.7
55.05513	28.2
55.89608	1.9
56.96570	2.9
57.03444	10.2
57.07094	4.4
67.05509	76.3
69.07075	26.2
71.05000	24.8
71.54646	2.4
72.93774	2.6
73.02902	3.6
79.05502	36.6
81.07062	100.0
83.04984	30.7
83.08625	22.5
85.02917	2.2
85.06547	9.6
91.05486	20.1
93.07050	71.4
95.04978	8.3
95.08611	36.1
97.06548	19.1
97.10177	5.5
99.04482	3.7
99.08121	6.7
100.11253	21.8
105.07040	9.4
107.04963	2.4
107.08609	40.1
109.06522	4.1
109.10179	9.9
111.08099	12.7
111.11785	2.3
113.96400	5.8
117.07031	10.4
119.08608	3.6
121.06532	3.4
121.10158	18.6
123.11732	4.3
125.09637	4.1
128.85707	2.1
131.08571	15.7
131.97424	4.3
133.10130	14.5
135.08084	4.1
135.11697	23.5
139.21422	2.0
140.04683	2.4
145.10156	3.2
149.09554	3.2
149.13271	61.6
153.09157	2.9
155.07028	2.5
157.10085	2.7
159.11717	27.0
163.11197	3.1
163.14873	3.4
167.07056	2.3
173.13338	4.2
175.08875	2.4
177.12715	15.1
191.10844	2.5
191.14333	3.0
195.13808	26.0
209.15215	3.0
227.10645	3.5
227.12804	9.1
227.17717	9.3
235.47469	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	227.1279
Annotation	Stagonolide
Peak:m/z	Relative Intensity
51.70144	1.4
53.03939	3.7
53.70779	1.3
55.01865	5.9
55.05513	12.6
57.03433	1.6
57.07080	1.5
67.05505	15.4
69.07078	9.8
70.69705	3.4
71.04995	2.7
76.63922	1.3
79.05504	22.0
81.03433	3.5
81.07062	18.1
83.04974	4.3
83.08630	9.6
83.73411	1.4
91.05481	4.5
93.07055	31.7
95.05011	6.9
95.08617	43.9
97.02913	3.2
97.06524	4.2
99.04436	3.2
105.07056	6.0
107.04967	9.4
107.08600	28.4
108.97777	1.4
109.10210	1.7
111.04463	2.9
114.77587	1.3
117.07057	9.1
119.08620	10.6
121.06486	6.2
121.10155	15.8
122.89246	1.6
124.61889	1.3
125.06002	3.4
133.10155	3.1
135.08002	2.3
135.11714	48.0
139.07552	1.8
145.10124	26.0
153.03563	1.4
153.12698	1.9
163.11200	78.1
167.07036	5.4
173.09663	1.7
181.12257	14.9
208.52831	1.4
209.11749	4.1
215.71429	1.7
217.91068	1.5
227.12813	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1279
Annotation	Stagonolide
Peak:m/z	Relative Intensity
53.03949	2.2
54.59067	0.9
55.01876	5.4
55.05272	1.0
55.05519	15.1
57.03439	2.5
57.07072	2.1
58.37004	1.0
65.03933	1.4
66.12677	1.0
67.05514	16.4
69.03420	1.5
69.07085	8.9
69.32983	5.5
69.33400	2.7
70.42719	1.1
71.04980	3.0
72.93804	1.4
73.02904	1.0
79.05503	23.1
81.03433	2.4
81.07065	18.7
83.04974	4.6
83.08632	12.3
85.06535	2.6
91.05499	8.3
93.07053	32.2
95.04981	6.8
95.08619	41.8
97.02916	2.7
97.06535	3.7
97.10175	6.0
97.29977	1.0
98.09716	0.9
98.20752	1.9
99.04462	3.6
100.11269	8.7
103.05476	1.1
105.07043	6.8
107.04969	8.4
107.08603	26.6
109.06521	2.0
109.10142	4.1
111.04431	2.5
111.08102	1.1
113.96389	3.2
117.07030	9.9
119.08582	8.6
121.06541	6.0
121.10172	10.9
125.05998	3.5
125.09636	4.3
129.06996	1.4
131.04895	1.1
131.08539	2.0
131.97435	1.8
133.10120	2.8
135.08098	1.8
135.11711	48.1
139.07567	2.5
143.08493	1.8
145.10133	25.0
153.12732	1.3
157.10248	1.4
163.11201	62.6
166.25781	1.1
167.07072	5.5
177.05588	1.5
181.04948	1.4
181.12247	13.6
189.11076	1.3
209.11760	3.4
209.15263	1.4
224.60701	1.1
227.12801	100.0
227.17703	3.9
227.24870	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	227.1279
Annotation	Erigerenone B
Peak:m/z	Relative Intensity
53.03942	2.1
55.01868	4.2
55.05513	16.4
57.03431	4.9
57.07084	1.9
57.51522	1.2
59.04986	2.0
60.55134	1.3
67.05512	10.6
68.99796	10.4
69.03445	2.2
69.07080	7.1
71.04987	4.2
71.17189	1.8
78.04726	1.4
79.05498	13.0
81.07060	20.7
82.98583	1.2
83.04998	7.5
83.08142	2.5
83.08624	36.4
83.09126	2.1
85.06544	3.2
85.10181	4.2
91.05486	28.6
93.07057	19.0
95.04980	33.6
95.08612	7.0
97.06532	4.4
97.10168	3.8
100.11256	4.4
101.02379	9.3
103.05553	2.0
105.07045	4.5
107.04955	5.9
107.08601	56.7
109.06522	27.3
109.10159	11.7
111.04444	6.1
111.08089	100.0
117.05472	1.6
117.07037	2.7
119.03391	2.4
119.04922	1.8
119.08592	5.2
121.06508	3.9
121.10164	11.1
123.04395	2.5
123.11765	2.6
125.09631	22.1
127.07593	2.7
131.04916	2.3
131.08580	4.3
133.10165	2.3
135.08078	15.6
135.11691	9.5
137.05989	12.5
141.09149	1.7
142.97736	1.4
145.10138	7.5
149.05975	5.2
149.09602	9.8
151.07588	7.4
151.11160	1.4
153.09114	55.6
153.12787	3.7
155.07057	9.0
155.08232	1.5
159.04483	1.7
163.11186	16.1
167.07047	27.6
167.10689	4.5
167.48479	1.3
169.08618	78.1
173.09625	2.1
177.05501	8.6
177.09149	4.1
181.04948	1.5
181.12201	9.3
185.10020	2.0
185.11736	25.9
185.13219	1.1
191.10681	9.2
195.10181	63.2
209.08093	3.9
209.11758	5.5
209.15417	4.7
227.09082	1.6
227.12666	14.8
227.17773	2.8
238.51898	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.128
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03935	2.1
55.01870	5.0
55.05514	9.8
57.03419	2.9
57.07072	6.6
59.05011	1.5
64.94183	1.3
65.03941	1.8
67.05178	1.8
67.05512	29.8
69.03416	4.1
69.07066	12.9
70.72455	1.1
70.72786	2.3
71.04997	21.1
72.08171	2.0
73.02927	2.3
78.04736	2.0
79.05499	34.4
81.07060	17.6
83.04987	11.6
83.08607	5.7
85.02923	2.1
85.06550	100.0
86.09682	1.7
87.04482	2.9
91.05487	20.9
93.07046	34.8
95.04979	13.8
95.08617	9.7
97.06523	9.9
97.10172	2.2
98.21544	1.1
98.97591	2.0
99.04443	4.9
99.08098	5.5
100.11270	14.2
101.06024	1.1
103.05463	3.7
105.07036	22.8
106.04192	1.9
107.04964	15.4
107.08598	41.7
109.06517	9.7
109.10151	6.8
111.04436	14.2
111.05590	2.6
111.08096	3.0
113.09621	1.2
114.92543	1.1
115.07574	4.3
117.07029	6.2
119.08589	23.1
121.06508	24.2
121.10154	28.7
123.04435	4.8
123.08059	8.6
123.11734	3.9
124.05222	1.9
125.05980	9.3
125.09641	3.4
127.03945	1.5
127.07585	1.8
128.06181	1.2
129.06999	7.3
130.07805	2.2
131.04901	2.0
131.08578	62.7
133.10127	11.8
135.04431	2.0
135.08052	3.7
135.11699	10.8
137.05995	4.6
137.09621	9.9
139.07541	3.2
139.11185	1.5
140.04639	2.0
141.05455	1.9
143.07043	1.6
143.08591	2.0
145.06407	1.2
145.10132	29.8
147.04488	1.2
147.08023	6.4
147.11682	3.3
148.05215	5.0
149.06013	8.6
149.09630	65.1
149.13252	3.8
151.03908	1.2
151.07524	1.8
151.11211	3.1
153.05444	4.2
153.09116	6.8
155.07159	5.1
155.08415	1.5
158.10942	1.6
161.13249	1.7
163.07545	4.5
163.11203	23.4
163.14830	10.1
165.05345	1.1
165.09099	12.4
166.06212	1.5
167.07057	46.9
167.10687	39.8
167.12111	2.1
173.09628	9.1
173.13284	12.7
177.05478	12.5
178.06265	3.2
179.10681	1.6
181.04936	2.2
181.08730	1.8
181.12318	2.4
183.06749	1.1
191.10678	63.3
191.14285	12.2
194.05765	4.8
195.06505	9.0
197.11729	1.7
203.89037	1.2
209.08206	20.9
209.11737	63.1
209.15384	8.4
212.12212	1.2
227.09013	4.9
227.12758	32.2
227.16389	3.7
227.17891	2.3
244.38634	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
50.88146	1.6
53.03935	3.2
55.01876	9.4
55.05514	25.0
56.96556	2.8
57.03420	4.8
57.07076	4.0
59.04993	1.8
64.71134	2.1
65.03930	2.0
67.05502	19.4
68.04406	1.7
69.03411	5.4
69.07069	17.0
69.50982	12.3
71.05002	11.2
71.08627	2.3
72.08155	2.0
72.93761	1.9
73.02903	3.8
79.05070	2.5
79.05492	31.7
81.03405	6.3
81.07059	31.4
83.04984	9.5
83.08619	17.4
85.06535	7.9
91.05487	15.4
93.07046	46.4
95.04955	21.6
95.08612	47.5
97.02879	3.1
97.06554	9.7
97.10154	3.0
98.97588	4.8
99.04465	14.1
99.08076	3.7
100.11260	16.7
103.05466	2.6
105.07031	11.7
107.04960	14.3
107.08595	40.8
109.06526	11.2
109.10159	9.9
111.04467	4.2
111.08082	21.9
113.05976	2.6
113.96376	2.5
115.07565	4.6
116.98653	2.0
117.06999	9.7
119.08591	14.4
121.06535	10.4
121.10146	24.7
123.04403	4.6
123.08066	3.1
123.11745	3.1
125.06006	5.8
125.09638	5.4
127.03938	3.0
127.07540	2.6
129.06918	2.3
131.08588	4.1
133.10141	11.8
135.08022	5.9
135.11699	45.5
137.06046	3.4
139.07556	3.1
139.11163	3.5
139.46808	1.8
140.04648	2.5
143.08574	2.4
145.10120	31.4
147.11749	2.2
149.05933	4.4
149.09657	4.6
149.13312	2.0
151.07509	2.5
151.11165	4.1
153.09064	13.6
155.07045	1.8
158.99565	3.4
159.04495	1.8
163.11182	70.3
163.14719	2.7
164.98546	1.8
167.07040	32.5
167.10713	2.8
169.08626	18.8
171.11731	1.7
173.09674	3.0
173.13290	5.1
177.00586	3.5
177.05443	9.2
181.05048	2.7
181.06505	4.2
181.12218	17.7
185.11740	3.8
191.10695	6.3
191.14302	5.5
193.15944	1.7
195.10129	8.1
197.38100	2.0
201.00684	3.4
209.05984	3.1
209.08023	4.0
209.09981	1.7
209.11742	5.9
209.15338	3.5
227.07047	8.9
227.12779	100.0
227.17728	5.8
227.19917	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0914
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03942	2.1
53.34812	0.9
55.01871	5.5
55.05499	1.7
57.07085	1.4
59.04993	0.9
65.03245	1.1
65.03943	5.5
67.05503	5.7
69.03431	1.9
69.07069	4.7
69.44548	6.5
71.04998	5.8
73.02923	42.5
79.05505	4.0
81.07046	5.2
82.04179	1.9
83.04994	1.3
83.08631	1.1
85.02911	4.2
85.06532	4.4
91.05517	4.5
93.03389	2.4
93.07060	9.1
95.04976	35.0
95.08613	4.4
97.06534	11.2
98.97582	1.7
99.04456	7.0
99.08089	11.1
100.11245	3.0
105.07030	4.7
107.04954	1.4
107.08611	7.2
108.02060	1.7
109.06537	5.6
109.10157	7.1
110.03671	4.0
111.04439	1.5
111.08095	1.4
115.07581	15.7
119.08591	3.2
121.06510	2.4
121.10161	4.0
123.04431	8.7
123.11716	4.1
125.02364	3.0
125.05998	3.0
125.09656	2.7
127.07582	5.8
131.08583	3.7
133.10136	22.3
135.11681	1.5
137.05939	1.0
138.03139	2.2
139.11200	3.0
140.04691	55.7
142.02635	2.4
145.02812	1.2
147.11674	2.0
149.05981	1.5
149.09610	2.7
149.13278	2.6
151.11186	5.7
153.05495	5.0
153.09117	13.9
155.07039	70.5
163.14813	1.6
167.07071	7.9
167.10707	1.7
169.12271	2.6
171.06516	3.3
173.08118	2.4
173.13297	6.0
177.05476	4.0
179.07056	3.3
181.04967	100.0
181.08409	4.5
191.10654	2.3
191.14343	8.0
199.08826	1.2
209.08092	22.4
209.11748	3.2
209.15334	7.5
210.11388	1.1
227.06929	1.8
227.09177	26.5
227.16267	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	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03934	2.5
55.01873	9.2
55.05510	9.6
56.96578	1.4
57.03445	5.0
57.07066	3.3
58.72001	1.0
59.04998	1.9
61.02919	1.1
65.03944	8.3
67.05179	1.1
67.05508	12.3
69.03425	4.2
69.07072	8.3
69.96345	3.7
70.06568	2.0
71.04996	15.6
72.08157	3.7
73.02921	38.0
73.06593	1.5
79.05493	13.2
81.03419	2.2
81.07059	10.6
82.04200	1.8
83.04965	5.5
83.08626	3.9
84.08156	1.3
85.02902	5.6
85.06550	25.8
86.09699	4.0
86.23156	1.0
87.04468	1.6
90.94843	1.0
91.05486	12.6
93.03413	2.5
93.07050	18.2
95.04977	56.7
95.08598	9.8
97.02907	2.9
97.06533	15.7
97.10173	2.5
98.97585	3.8
99.04468	9.7
99.08091	12.4
100.11266	25.6
103.05460	3.9
105.04510	1.0
105.07023	8.5
107.04971	6.7
107.08605	19.5
109.06516	10.0
109.10167	9.4
110.03671	2.3
111.04432	4.2
111.08086	2.9
113.09645	2.2
113.96409	2.2
115.07567	14.4
117.03371	1.3
117.07018	2.3
119.08574	7.4
121.02836	1.0
121.06525	9.6
121.10164	15.3
122.03702	1.2
123.04447	13.3
123.08070	4.3
123.11694	6.0
125.02371	3.6
125.06019	5.9
125.09637	4.5
127.03941	1.5
127.07575	7.9
129.07002	2.1
129.10240	2.8
131.04927	2.4
131.08578	14.3
131.97462	1.4
133.10129	26.1
135.04436	2.1
135.08047	4.0
135.11655	3.4
137.05975	4.8
137.09621	2.8
138.03131	1.2
139.07549	2.4
139.11176	4.4
140.03601	2.5
140.04694	46.7
142.02640	2.8
143.08594	2.1
145.02875	2.6
145.10146	12.2
147.04431	1.7
147.08110	1.4
147.11682	4.2
148.05219	1.5
149.06023	8.3
149.09636	15.8
149.13298	3.9
151.03922	1.7
151.11214	6.4
152.04626	1.2
153.05463	6.5
153.09116	19.6
155.07042	76.3
158.99638	1.7
161.03026	1.5
163.07504	1.4
163.11191	6.7
163.14819	3.3
165.09131	2.1
167.07050	38.4
167.10669	12.1
169.12279	2.5
171.06535	3.2
171.10167	3.3
173.08115	3.3
173.09616	3.9
173.13255	9.0
177.05482	12.9
179.07083	3.0
181.04970	100.0
181.08429	6.4
191.07080	1.8
191.10689	18.7
191.14320	11.4
195.06564	3.0
199.08868	1.2
209.08105	31.3
209.11749	15.2
209.15121	12.1
210.11284	2.8
214.35202	1.3
227.07320	2.1
227.09167	32.8
227.12685	7.0
227.16437	11.6
228.13316	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03948	11.1
55.01871	3.3
55.05510	21.5
57.03423	2.6
67.05177	3.6
67.05505	44.4
69.07069	13.1
71.04982	2.3
73.06567	3.2
79.05499	78.3
81.03429	5.8
81.07057	34.9
83.04987	38.5
83.08604	4.5
84.73144	2.5
85.06535	4.7
87.31210	3.1
91.05483	58.8
93.07050	100.0
95.04967	20.8
95.08607	23.7
97.06520	5.7
97.10169	3.2
101.95036	10.9
105.03413	5.4
105.04545	2.6
105.07035	46.8
107.04988	3.8
107.08605	13.9
109.06514	7.2
109.10152	5.1
117.07032	11.4
119.08592	25.7
119.96107	3.9
121.10173	5.7
123.08073	9.9
125.09695	2.7
129.07016	17.8
131.08600	2.9
133.10156	11.9
141.24037	2.9
143.08583	9.1
145.10136	9.4
147.11699	58.4
160.98686	4.5
161.09660	3.8
161.13213	11.8
171.11710	35.0
176.19408	2.5
189.12755	13.0
207.13809	14.8
225.14836	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	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03949	1.5
55.05513	7.1
57.03437	1.4
57.07068	4.7
59.04991	2.7
60.01389	1.2
67.05504	6.7
69.03426	2.9
69.07056	5.5
69.56968	9.3
71.01330	2.0
71.05000	41.0
79.05508	7.1
81.03414	3.9
81.07056	13.1
83.04990	6.9
83.08619	8.0
85.02892	4.8
85.06565	2.9
86.17014	1.2
86.49626	1.6
91.05476	4.4
93.07050	8.5
95.04977	3.6
95.08615	12.9
97.06541	14.4
98.97583	1.6
99.04461	100.0
99.08103	2.0
101.06009	2.8
101.95012	1.6
105.03392	4.6
105.06430	1.7
105.07027	10.2
107.08599	49.5
109.06522	27.6
109.10162	6.8
111.08094	3.5
111.11721	2.6
113.09657	4.7
119.04916	2.1
119.08595	6.5
121.06527	2.1
121.10142	19.1
123.08077	24.3
123.11713	20.9
125.09621	9.4
131.08586	3.1
133.10121	3.2
135.11693	2.4
137.06038	1.7
137.09605	10.1
137.13257	4.1
139.07549	1.4
139.11205	5.6
141.09158	2.9
141.12753	2.2
147.11720	9.5
149.09622	18.0
151.07584	3.9
151.11183	8.1
155.10696	2.0
156.09378	1.7
161.09586	1.4
161.13249	4.4
163.11209	3.1
165.12764	16.3
167.07097	1.6
167.10687	27.2
179.14247	3.2
180.04303	2.4
183.12163	2.4
183.13808	44.3
189.12749	7.9
207.13855	19.9
214.08495	2.0
225.09158	2.7
225.12650	2.0
225.14842	32.4
244.81030	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
51.63229	1.7
52.06074	1.8
55.05516	7.1
57.07076	2.6
59.05016	2.8
64.23421	1.8
67.05509	10.9
68.96180	1.9
69.03440	4.5
69.07083	16.8
69.07431	2.9
71.05000	15.1
79.05511	5.4
81.03431	2.5
81.07059	20.8
81.45523	1.8
83.04986	10.9
83.08620	5.7
85.02914	11.7
85.06554	5.0
87.04471	2.0
91.05492	5.9
93.07042	9.4
95.08623	45.6
97.06558	3.2
97.90980	1.9
98.21510	5.5
99.04472	31.2
105.07035	24.6
107.08602	27.9
109.06540	14.9
109.10168	8.6
111.08099	9.0
119.08589	21.4
121.06467	2.7
121.10154	20.8
123.04359	2.0
123.07196	3.4
123.08083	54.1
123.11713	17.9
125.09631	2.2
129.80249	2.3
131.08583	6.9
133.06508	5.3
133.10149	7.0
135.08040	3.3
135.11684	4.7
137.09662	5.4
137.13252	5.3
139.11191	7.0
141.62189	1.7
143.08603	3.4
145.10175	5.5
147.04401	2.3
147.08054	4.0
147.11719	18.6
149.09637	48.6
151.07541	23.8
151.14781	2.7
156.09427	5.8
161.09590	3.5
161.13260	18.1
163.11162	2.1
165.09125	3.7
165.12766	17.0
167.10707	11.0
168.53395	2.0
169.08875	1.8
171.11716	11.3
174.10422	6.1
179.14319	11.5
182.85141	1.8
183.13818	9.3
189.12770	77.1
207.13824	100.0
225.14871	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	225.1486
Annotation	Methyl epijasmonate
Peak:m/z	Relative Intensity
52.91391	0.9
53.03944	4.2
55.01875	3.7
55.05517	24.1
57.03428	3.7
57.07080	1.3
59.05005	2.2
67.05179	1.5
67.05511	20.4
69.03433	6.2
69.07076	6.7
70.57593	2.7
71.04994	2.4
71.60090	1.0
73.06570	1.3
79.05070	1.4
79.05500	20.3
81.03426	100.0
81.07063	27.6
83.04989	27.5
83.08627	34.8
85.02925	1.2
85.06552	2.7
91.05489	25.1
93.07060	13.9
95.04977	34.0
95.08628	8.6
97.02902	3.3
97.06526	4.6
97.10173	6.3
98.12767	0.9
99.04460	1.8
99.08103	0.9
101.95055	7.2
104.54476	1.0
105.03409	2.7
105.07037	17.5
107.04970	6.9
107.08591	8.9
109.06546	5.6
109.10145	2.4
110.70059	1.0
111.04459	2.1
111.08087	16.8
115.05465	1.5
117.07033	1.5
119.04993	1.3
119.08595	15.5
119.96082	2.1
121.06491	1.3
121.10154	6.8
123.08086	3.9
123.11730	1.2
125.09672	2.4
129.07031	10.0
131.08583	9.7
133.06499	2.7
133.10138	9.0
137.09663	2.9
142.07805	2.5
142.97696	1.3
146.43158	1.0
147.08063	3.8
147.11684	14.8
149.09637	8.2
157.10135	15.1
160.98697	2.0
165.12761	3.1
167.10678	1.2
175.11209	21.0
193.12259	71.5
207.13846	2.2
225.05414	1.6
225.09029	2.2
225.14774	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	225.1123
Annotation	Isoacoramone
Peak:m/z	Relative Intensity
51.56863	0.7
53.03943	1.9
55.01860	1.4
55.05518	6.1
56.96566	1.1
57.03429	2.7
57.07082	3.5
63.56076	0.7
65.03941	0.9
66.32007	0.7
67.05510	7.3
68.99779	2.2
69.03424	2.6
69.07073	4.2
69.90755	3.4
71.05011	5.2
71.08631	4.3
79.05490	7.8
80.67451	0.6
81.03414	2.3
81.07063	19.5
83.04984	4.2
83.08620	2.9
85.02909	4.4
85.06538	3.2
91.05492	6.1
93.07034	5.6
95.04981	4.3
95.08619	11.5
97.02908	0.9
97.06519	3.1
97.10172	1.8
98.21424	1.0
99.04454	13.9
99.08096	3.7
101.95036	7.2
105.03405	8.9
105.07037	4.6
107.04954	2.6
107.08591	6.0
109.02863	2.1
109.06519	5.8
109.10164	4.3
109.93327	0.7
111.04446	1.3
111.08108	1.2
113.09643	1.9
119.04945	5.2
119.08573	4.8
119.96078	2.1
121.06482	1.1
121.10152	5.9
123.04443	13.0
123.08076	8.7
123.11749	3.5
125.05974	2.0
125.09615	2.3
125.15329	0.7
127.03933	5.2
131.08586	1.3
133.10124	2.6
135.11656	1.1
137.05988	14.0
137.09612	3.1
137.97119	1.2
139.03912	48.2
139.11185	2.2
141.09119	12.0
145.10092	1.2
147.04387	4.3
147.11667	3.4
149.09663	3.8
149.13319	0.8
151.03891	4.7
151.07486	1.3
151.11247	0.9
153.01785	1.4
153.05493	5.1
153.06534	0.7
155.03403	42.7
160.98651	2.5
161.09668	1.0
161.13240	2.1
163.03917	1.7
163.11208	1.4
165.04158	1.5
165.05489	22.3
165.09116	1.1
165.12764	2.0
167.07048	2.4
167.10670	4.2
167.14267	0.9
169.10110	1.8
171.11665	1.1
173.13342	0.9
175.03899	1.4
179.07074	1.4
179.10580	0.8
180.04227	3.5
183.11771	1.3
183.13763	3.8
189.09097	1.9
189.12741	3.0
189.16420	0.9
190.02151	0.8
192.04150	0.8
193.04994	1.4
193.12154	0.9
195.06581	1.8
197.06203	0.7
197.09634	0.7
207.06509	3.0
207.10168	11.2
207.13773	5.2
225.09308	4.3
225.11218	100.0
225.14825	4.5
225.19658	2.4
225.22069	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1283
Annotation	Maokonine
Peak:m/z	Relative Intensity
52.24673	0.6
58.06605	0.8
60.08167	100.0
70.66917	0.8
70.67257	1.5
91.05489	4.9
93.07054	1.5
95.04972	21.2
95.26457	0.6
97.02889	0.6
98.97591	1.2
103.05474	2.9
109.06528	1.0
119.04951	36.7
121.06506	2.3
123.04434	88.6
136.06241	1.2
137.06001	1.5
143.01926	0.8
144.97250	0.6
147.04417	30.9
165.05484	65.8
176.43608	0.6
192.05603	1.0
224.12833	70.2
231.92943	0.7
237.64102	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26638	1.7
56.96574	2.3
63.94087	2.1
70.12183	7.9
70.12556	3.3
76.00511	1.8
82.99837	10.4
84.96032	2.5
98.21468	2.5
98.97585	4.8
101.00884	72.5
110.44341	1.8
119.01928	100.0
120.02060	2.4
122.25365	1.8
124.02465	12.3
137.02982	13.5
137.16440	2.2
140.98756	2.8
142.03506	90.6
143.01872	2.3
158.99910	6.6
160.04564	12.3
161.02957	33.5
172.48425	4.0
177.00978	21.5
178.98822	3.2
179.04025	31.0
181.49028	3.7
182.99597	2.7
184.04626	5.4
187.99303	6.4
190.49542	23.8
190.99635	4.6
192.99857	2.9
199.50076	34.0
200.00137	7.6
202.00371	12.7
202.05618	4.7
208.50687	2.3
210.47951	2.1
211.00908	10.6
211.02713	2.2
219.02000	15.6
220.02011	2.9
220.94519	4.9
238.95599	21.0
239.95708	2.3
243.01930	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	223.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.05272	3.3
55.05517	50.8
55.45768	2.1
57.06833	2.5
57.07081	35.7
65.29694	2.2
67.05506	2.6
69.07076	100.0
71.08640	24.7
71.54733	3.0
81.07043	3.2
83.08623	61.7
85.10192	11.3
89.37824	1.7
93.07041	2.2
97.10178	58.1
111.11717	30.9
125.13250	7.1
131.27657	1.7
149.02370	5.1
150.20364	1.7
213.78587	2.1
218.95956	2.0
223.05795	2.1
223.13246	2.8
223.16945	4.6
225.04417	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	224.1282
Annotation	Maokonine
Peak:m/z	Relative Intensity
55.05490	0.8
56.96571	2.0
58.06604	3.3
59.04994	1.2
68.05035	2.0
69.03424	1.1
69.78210	3.7
70.06586	1.7
72.08153	7.3
77.43799	0.7
79.05502	5.4
81.07076	1.1
83.87907	0.6
84.08136	2.3
84.26720	0.6
85.02914	1.0
87.59550	0.7
90.40734	0.6
91.05482	8.6
93.07027	1.8
95.04971	1.8
95.08635	0.7
97.02924	1.0
98.97586	2.2
103.05466	12.1
105.03420	0.9
105.07034	31.6
107.04964	4.6
107.08592	0.8
109.06522	0.7
110.09714	3.3
111.04488	0.7
116.98666	1.1
117.07057	1.8
118.06553	14.1
119.04948	2.2
119.07333	2.1
120.08114	21.4
120.08947	1.5
121.06507	1.5
122.10610	0.8
123.04437	1.1
128.06229	5.7
130.06511	3.4
131.04947	3.7
131.07321	2.9
131.08603	1.4
132.08102	1.8
136.07585	5.8
143.08559	4.9
145.08878	1.0
147.04396	4.0
149.05936	0.6
150.09093	0.9
151.07536	0.8
158.09639	1.2
160.11224	100.0
161.04651	0.7
161.11520	0.8
164.07094	1.1
164.10620	0.9
165.05446	1.5
178.08745	2.5
178.12274	94.6
182.08109	0.8
183.03107	1.3
191.55960	0.7
206.07735	1.1
206.11768	16.1
207.18639	1.4
219.01674	0.9
224.09169	3.2
224.12825	53.2
224.21220	1.8
224.23531	0.8
226.04205	1.4
237.02930	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.133
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
51.02371	2.1
51.07291	1.1
53.03951	50.6
55.01881	12.5
55.05512	8.9
57.03426	1.9
57.07078	1.6
59.05007	1.4
59.56098	1.1
65.03928	3.1
67.05510	61.2
69.03419	3.8
69.07068	6.8
70.26467	3.9
71.01340	1.8
71.04980	4.2
73.02937	1.4
79.05498	38.4
81.03423	100.0
81.07063	68.8
83.04996	10.8
83.08620	3.8
85.02883	1.6
85.06534	4.2
87.04449	1.5
91.05484	22.4
93.07046	35.0
95.04980	23.7
95.08614	39.3
97.02882	1.3
97.06538	5.4
99.08083	3.0
103.05491	2.4
105.03371	1.8
105.04481	1.6
105.07029	16.8
107.04967	29.3
107.08595	14.8
109.06516	4.8
109.10181	5.3
111.08065	3.6
117.07026	17.1
119.08581	6.7
121.06508	12.8
121.10140	5.1
123.04433	3.8
123.08076	30.4
125.05978	1.2
128.06323	1.7
129.06999	2.0
131.08575	13.4
133.06491	4.1
133.10155	6.5
135.08047	3.5
135.11702	24.3
137.09659	1.2
139.07564	1.4
141.06995	8.5
143.08559	2.3
145.06508	19.3
145.10136	6.2
146.07158	1.2
149.02350	7.7
149.09624	2.3
149.13248	7.2
154.07719	1.6
157.10075	1.2
159.08044	3.2
159.11696	14.8
163.11166	3.0
167.86195	1.1
169.10138	9.0
177.12749	8.4
187.11206	12.1
190.02614	1.1
195.13892	2.8
205.12158	2.4
205.15921	1.2
222.58212	1.2
223.06097	4.1
223.11363	1.8
223.13237	9.7
223.16963	3.1
225.04356	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	223.1329
Annotation	Placidene C
Peak:m/z	Relative Intensity
53.03942	0.6
54.56625	0.2
55.01870	1.0
55.05516	5.0
56.96557	0.7
57.03422	0.4
57.07059	0.3
59.04996	0.2
63.34833	0.2
65.03945	0.3
66.04707	0.3
67.05510	3.9
67.39760	0.2
69.03413	0.2
69.07074	5.1
69.42225	1.3
70.98137	0.3
71.04990	0.3
73.02885	0.2
79.05497	2.9
81.03426	8.2
81.06589	0.2
81.07064	3.8
81.38564	0.2
83.04979	0.8
83.08616	2.3
85.02929	0.3
85.06556	0.5
87.08134	0.4
91.05492	2.1
93.03394	0.2
93.07063	2.1
94.04191	3.3
95.04976	8.9
95.08617	1.5
97.02905	0.2
97.06508	0.5
97.10241	0.2
97.14428	0.2
98.08717	0.2
98.21488	0.3
105.07040	1.0
107.04958	4.6
107.08613	1.0
109.06534	0.7
109.10136	0.4
111.08100	0.3
117.07072	1.1
119.08609	0.7
121.06512	0.6
121.10152	0.5
123.08073	0.8
131.08568	0.7
133.10153	0.2
135.08049	0.3
135.11685	0.3
143.08588	0.2
145.06580	0.3
145.10147	0.7
145.61533	0.2
149.02367	1.3
159.11700	0.3
163.11191	0.7
168.17313	0.2
177.12778	0.2
183.58839	0.2
190.02696	0.2
190.59459	0.3
199.60191	0.2
202.10330	0.2
205.12228	1.3
223.13303	100.0
224.13751	0.9
225.04289	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
51.02367	1.8
53.03949	47.2
55.01871	11.3
55.05512	11.3
56.96562	1.9
57.03435	2.4
57.07070	4.6
59.04993	3.7
60.54642	1.2
65.03933	4.3
67.05508	60.6
69.03432	6.2
69.07078	13.3
71.01369	1.7
71.04990	4.6
71.53576	1.4
71.53967	1.7
72.18114	1.5
73.02916	2.0
74.94971	1.4
79.05498	36.8
81.03425	100.0
81.07059	79.2
83.04985	14.7
83.08629	7.1
85.02905	5.2
85.06538	4.0
89.05995	2.4
91.05488	29.9
93.07050	42.1
95.04974	25.6
95.08613	44.9
97.06545	8.9
97.10143	1.3
99.04474	3.1
99.08095	3.3
103.05431	1.9
105.03403	3.2
105.07033	22.1
107.04958	30.2
107.08598	23.1
109.06534	8.4
109.10156	6.4
111.04466	2.4
111.08083	5.2
111.21192	1.5
113.05993	1.8
115.05510	1.5
117.07020	17.7
119.04964	2.0
119.08567	7.7
121.06503	12.8
121.10157	11.2
123.04448	3.1
123.08073	30.7
123.11704	4.0
125.05990	4.0
129.07056	2.6
130.07742	1.7
131.04919	3.3
131.08577	14.7
133.06494	3.8
133.10114	8.3
135.08081	6.3
135.11707	23.5
137.05977	2.2
137.09613	3.1
139.07565	3.0
141.07010	7.8
143.08572	2.8
145.06476	20.2
145.10135	8.7
147.11717	3.9
149.02341	19.3
149.09645	4.5
149.13243	9.6
153.09099	1.7
158.99641	2.2
159.08078	4.4
159.11708	18.0
163.11205	17.2
163.14763	1.4
165.09096	1.9
167.07063	8.7
169.10143	8.8
177.00909	1.4
177.12764	11.4
178.13222	3.0
181.10123	1.8
187.09698	1.8
187.11206	13.4
187.14836	3.9
195.13806	2.5
201.53790	1.5
205.10289	2.2
205.12288	7.1
205.15822	6.9
223.05919	9.1
223.11279	3.4
223.13295	10.6
223.16936	12.6
223.20578	2.5
225.04306	4.4
227.02228	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47027	0.4
53.03963	1.1
55.05514	61.2
58.99585	3.9
69.03455	0.4
70.06606	0.6
70.91895	0.9
70.92257	0.7
76.02220	1.9
83.08621	100.0
84.08145	0.6
85.07024	0.4
86.09708	0.7
86.99061	4.4
97.42295	0.5
98.97577	1.0
100.94626	0.4
101.09663	16.6
103.05450	2.0
105.00097	7.7
107.77116	0.4
116.07133	0.5
119.04972	0.5
121.06498	3.3
122.02714	1.6
131.04947	4.1
133.32957	0.5
136.06078	0.6
136.42831	0.4
147.04391	0.6
156.85243	0.5
159.08371	1.6
163.07484	1.9
176.07080	1.0
187.07883	0.6
190.08665	0.5
198.96779	0.5
205.08949	22.7
205.10873	1.1
207.08879	0.5
222.07709	0.6
222.11313	7.8
222.13751	0.9
244.03896	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1126
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
51.57216	0.4
55.05498	0.6
56.96572	1.0
57.07063	0.5
60.04517	0.7
67.05501	1.1
69.03408	1.2
69.07050	0.7
69.49689	3.6
70.06595	11.4
71.01376	0.7
71.06920	0.7
72.93774	0.8
73.02912	0.6
79.05059	0.4
79.05483	1.7
81.03423	0.9
81.07051	1.1
84.04482	0.9
84.08128	1.1
85.02880	0.8
88.56428	0.5
91.05462	2.4
92.04999	0.6
93.07047	0.9
95.04946	1.1
97.02879	0.8
98.97604	3.1
103.05453	1.7
104.55955	0.6
105.07039	1.0
106.06574	0.6
107.04936	0.8
107.08647	0.6
110.06069	0.6
116.07101	7.1
116.98623	1.8
117.05749	1.1
117.06983	0.7
118.06533	2.3
119.07315	2.2
119.08568	1.2
121.06514	1.1
122.06012	0.7
124.07610	0.6
124.08426	0.5
127.07082	3.5
130.06544	1.1
131.04935	1.8
131.07219	0.5
132.04430	0.5
132.08069	1.3
133.08826	0.5
134.09663	8.6
135.08072	0.7
137.05966	1.3
138.05458	0.7
144.08083	5.7
145.08862	2.9
146.09645	1.1
147.10443	0.5
148.07539	0.6
148.11169	0.8
149.05928	0.7
158.05965	0.9
158.99646	0.8
159.06378	1.0
160.11227	36.5
163.03944	0.7
163.07547	0.7
165.05504	1.0
174.07631	1.1
174.09152	21.9
176.07065	4.0
176.08994	1.8
176.10477	0.8
177.00676	0.7
177.07834	1.3
179.03329	0.5
185.32820	0.5
191.08537	1.4
192.10197	37.2
194.05630	1.3
198.96907	2.5
201.57025	0.7
204.10208	3.2
206.08121	0.6
207.02904	0.9
216.97940	2.1
219.08061	0.9
222.05136	1.6
222.11259	100.0
223.05956	0.8
223.11543	0.7
236.10681	0.7
240.07629	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.89404	1.5
53.03943	4.1
55.01873	3.2
55.05510	14.3
56.96554	6.1
57.07069	7.4
59.05006	8.9
67.05505	23.3
69.03410	4.0
69.07067	44.4
71.04986	4.8
71.53647	2.0
79.05494	30.6
81.03409	2.4
81.07057	100.0
83.04976	1.8
83.08619	13.7
85.06538	6.1
86.98074	1.7
90.05553	3.8
91.05450	15.1
91.05932	1.9
93.07050	27.3
95.04959	6.2
95.08610	40.7
97.06547	4.3
97.10177	4.1
98.97588	2.0
105.07037	35.8
107.04972	2.8
107.08598	35.3
109.02912	2.1
109.06526	7.2
109.10163	27.5
111.08097	5.7
111.11718	5.4
113.17537	1.6
115.05456	4.1
117.07040	2.2
119.08581	36.7
121.06535	4.1
121.10146	24.6
123.08069	4.1
123.11710	19.1
125.09610	4.3
131.08609	3.5
133.06485	4.1
133.10136	22.4
135.11697	18.6
137.05957	3.3
137.09601	5.2
137.13226	3.2
139.11133	2.5
141.05423	2.4
142.66725	1.9
143.08554	3.8
145.06363	1.7
145.10147	3.3
147.04362	2.0
147.08049	3.2
147.11685	28.6
149.01245	2.5
149.02354	4.2
149.13269	6.2
151.11174	5.5
158.05917	2.3
159.11703	3.2
161.06010	5.4
161.09642	3.5
161.13281	14.6
163.14752	11.3
165.09120	2.9
165.12717	3.5
175.08766	3.0
175.11267	3.5
175.14883	10.2
177.05460	2.0
177.12740	4.3
177.16373	2.8
179.10648	2.4
185.13275	2.1
193.08499	3.1
193.12259	3.0
193.15855	2.8
196.02109	1.8
203.06906	2.2
203.10744	6.4
203.14302	5.2
203.17966	31.2
204.95403	1.6
206.16278	2.6
221.07913	4.8
221.11678	12.2
221.15315	17.3
221.19035	26.3
222.18451	2.1
238.02444	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03946	3.7
55.01862	2.3
55.05518	12.5
56.96552	1.8
57.03436	4.6
57.07081	6.2
59.04993	2.5
66.75645	1.2
67.05510	14.0
68.99477	1.2
69.03427	1.9
69.07068	13.2
70.81915	3.1
71.04713	1.1
71.05006	13.0
71.08617	1.1
72.08134	1.4
79.05063	1.8
79.05499	22.5
81.03461	1.1
81.07063	79.9
83.04995	3.6
83.08629	5.8
85.06540	3.1
90.05564	2.8
91.05466	16.1
91.05910	1.4
93.07050	37.2
94.33423	1.2
95.04981	4.7
95.08615	34.4
97.06523	2.9
99.08099	8.0
100.11253	1.3
103.05466	1.4
105.03397	2.0
105.07045	35.0
105.07756	1.8
107.04970	2.4
107.08602	64.9
109.06530	5.9
109.10172	23.6
111.08103	4.6
111.11710	1.4
115.05455	1.8
117.07011	2.7
119.04955	5.1
119.08591	53.7
121.06490	2.5
121.10166	13.5
123.08088	2.9
123.11713	19.5
125.09611	2.2
127.11212	4.9
129.07022	2.5
130.03824	1.4
130.06522	3.9
131.04976	2.2
131.08598	2.4
132.04448	1.6
133.06488	3.7
133.10141	33.6
135.08043	2.0
135.11705	100.0
137.06000	5.0
137.09610	5.0
137.13258	2.6
139.11116	1.5
141.11502	3.4
143.04988	1.3
143.08603	1.6
145.10138	4.3
147.04414	20.9
147.08067	4.1
147.11705	22.6
149.02338	8.5
149.13277	7.0
151.03935	2.9
151.07497	1.4
151.11234	3.8
157.07628	1.5
157.10104	1.9
158.06046	4.7
159.07990	1.3
159.11736	5.3
160.12456	1.7
161.05975	4.9
161.09660	4.1
161.13274	32.1
163.11220	1.2
163.14845	3.9
165.09106	2.9
165.12773	2.1
166.86353	1.2
175.07396	2.5
175.08810	5.7
175.11227	4.2
175.14830	10.6
177.09171	2.5
185.13228	3.2
189.05507	1.9
192.80070	1.1
193.08607	2.6
193.15889	1.5
198.15001	1.2
198.66586	1.4
199.18108	2.4
203.10834	4.1
203.14372	9.7
203.17966	34.8
207.33040	1.3
221.07890	2.5
221.11775	4.3
221.15479	19.5
221.19041	36.0
221.21988	3.8
227.31430	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03940	2.4
53.06487	1.1
55.01851	2.7
55.05515	18.7
56.96567	2.7
57.03431	1.9
57.07076	5.7
57.65656	1.1
59.05016	8.7
65.03938	1.6
67.05508	18.2
69.03423	3.4
69.07072	45.2
69.41301	9.6
71.05003	7.0
77.18518	1.0
79.05062	1.8
79.05497	23.9
81.07063	100.0
82.22501	1.2
83.04968	3.4
83.08628	10.4
85.06544	3.9
90.05572	2.2
91.05473	11.8
93.07053	30.0
95.04970	3.9
95.08615	40.3
97.06519	5.4
97.10186	3.1
99.08098	2.6
105.07041	32.1
107.08606	36.9
109.06515	5.4
109.10164	33.8
111.08055	4.6
111.11729	6.5
115.05445	1.8
117.07013	2.7
119.04952	1.3
119.08595	33.5
121.06490	2.0
121.10152	21.4
122.93482	1.1
123.08089	2.4
123.11727	28.4
125.09634	4.8
127.11253	1.5
129.06943	1.4
130.06482	1.7
131.08580	1.8
133.06509	2.8
133.10141	23.8
135.04399	1.6
135.08017	1.5
135.11708	19.9
137.05975	2.3
137.09624	6.0
137.13248	2.5
139.11171	3.9
143.01888	1.8
143.04941	1.3
143.08595	2.1
145.10127	3.1
147.04469	2.9
147.08104	3.0
147.11703	26.9
149.02379	1.6
149.13254	6.9
151.11214	4.6
153.12762	2.3
158.06000	1.5
159.11690	3.3
160.05177	1.5
161.05998	4.9
161.09607	3.2
161.13280	13.6
162.06763	1.6
163.03922	2.4
163.11169	1.4
163.14851	6.4
163.70659	1.1
165.01834	13.4
165.09077	2.9
165.12727	5.3
175.07494	4.4
175.11217	3.4
175.14801	6.4
177.16469	2.4
179.10571	1.7
185.13213	1.2
189.05099	1.4
190.06207	2.2
193.03702	1.3
193.08594	4.8
198.05382	1.3
203.06975	2.1
203.10725	3.6
203.14308	3.8
203.16245	2.0
203.17979	24.7
206.16296	1.8
207.08368	1.2
221.08156	10.4
221.11613	4.2
221.15436	11.1
221.19020	31.6
227.91641	1.2
236.22806	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	221.0922
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
53.03987	0.8
55.01896	1.2
55.05544	0.9
56.96566	10.9
57.03460	2.6
57.07100	1.1
60.95870	0.7
61.02920	3.5
69.03422	2.9
69.75521	1.1
69.75930	1.9
70.06621	1.3
70.98143	0.6
71.05010	0.9
72.08182	1.7
73.02925	4.6
74.02452	1.3
81.03443	1.7
82.02972	1.8
84.08180	0.8
84.96059	1.0
85.02910	5.7
87.04482	1.3
90.05579	2.7
91.05401	0.8
91.05925	0.9
94.06578	4.4
96.02457	0.7
97.02885	4.6
98.03219	0.6
98.97591	18.0
99.04470	1.3
100.02528	1.1
100.97215	0.7
100.98000	0.8
101.00868	2.8
101.02361	0.6
102.17451	0.5
102.96870	0.7
103.00658	1.0
108.01580	0.8
109.02910	1.5
110.01295	0.6
110.97594	4.7
112.07619	0.8
113.00862	1.2
115.02434	0.9
115.05503	0.9
116.98625	6.0
117.02103	0.9
119.01913	4.5
120.08096	1.1
120.93880	0.6
121.01678	1.0
121.06604	0.5
123.02151	0.6
127.03931	1.4
128.98636	3.7
129.03915	0.7
130.06534	66.3
131.00195	1.1
131.01892	0.9
132.04460	36.6
133.01666	0.8
133.03506	1.4
134.06046	0.7
134.99670	0.6
137.05977	2.9
143.00150	1.5
143.01852	1.4
145.01697	1.1
145.03426	1.4
146.04059	0.7
146.99608	1.1
147.04379	0.7
147.09161	1.0
148.07574	3.5
149.01239	1.0
154.03883	0.6
155.04645	1.1
155.54878	0.6
156.06877	0.8
156.98032	0.7
157.01709	1.2
157.07629	26.3
158.06021	81.5
158.99654	2.5
159.09100	0.6
160.07550	0.6
161.01352	1.4
161.02921	3.3
161.04631	0.8
163.02751	1.0
163.04410	0.8
170.05081	1.0
170.99612	0.9
174.99112	2.1
175.02773	3.1
175.08681	100.0
176.07048	1.7
177.00830	1.2
179.02223	1.6
179.03873	1.3
181.04900	1.4
182.99722	0.9
185.02950	1.3
185.07138	0.9
186.05560	2.8
187.02708	0.6
189.00726	1.0
191.02397	0.7
191.03952	2.2
191.05698	0.9
198.04491	0.8
198.06104	1.0
198.99036	0.8
200.04391	1.2
200.06189	1.4
201.00685	1.0
203.02277	1.1
203.04044	1.1
203.08226	3.9
203.11067	1.3
204.06604	3.6
209.05458	0.8
219.01662	0.7
220.56003	0.7
221.03180	2.6
221.05011	1.1
221.06902	1.4
221.09181	20.5
221.12245	1.5
221.16498	0.7
231.99226	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
53.03938	1.8
55.01863	4.2
55.05516	6.9
56.05027	3.1
56.96571	32.5
57.03442	7.2
57.07082	11.2
58.06595	3.0
58.07407	2.6
59.04988	5.1
60.04512	2.0
60.05324	2.8
60.95831	1.7
61.02922	5.9
63.42655	1.1
65.03948	1.7
67.05507	8.2
68.05809	4.1
69.03436	12.5
69.07067	6.7
69.74072	6.3
70.02943	4.6
70.06587	4.7
70.07390	2.1
71.01342	1.3
71.03267	2.0
71.05006	5.6
72.04520	11.5
72.08170	6.2
73.02923	13.2
73.04846	6.1
73.06553	4.4
73.08485	1.9
74.02434	3.8
74.03243	1.6
74.06075	2.8
78.11193	1.1
79.05468	1.3
81.03416	7.0
81.03806	1.1
81.07035	3.7
82.07388	2.0
83.01389	1.1
83.04977	2.5
83.08618	2.0
84.04483	4.0
84.08139	2.6
84.96031	3.5
85.02432	1.4
85.02911	13.2
85.06565	7.0
86.06876	7.5
86.09698	3.7
87.04491	6.9
87.08115	1.6
87.10016	1.7
88.04790	2.4
90.05560	80.2
91.05361	5.9
91.05901	34.5
92.07097	1.3
93.07036	2.5
94.06561	4.7
95.01339	1.8
95.04963	5.4
95.08607	2.6
96.01578	1.8
96.05300	5.1
97.02902	14.9
97.08452	1.4
98.02423	12.0
98.06039	4.1
98.97592	51.3
99.02187	1.6
99.02733	8.7
99.04440	5.0
99.06375	3.5
99.97831	1.2
100.97181	2.9
100.97978	1.8
100.99135	1.4
101.00806	2.6
101.02408	2.4
101.04357	1.4
102.96880	2.7
103.05455	1.2
103.07601	6.8
104.03090	7.0
104.07916	5.1
105.07031	2.9
107.04948	1.9
107.08613	2.6
109.02876	4.5
109.10155	2.7
110.01267	4.3
110.97556	9.7
111.08086	2.0
112.07592	2.8
112.99114	2.2
113.03621	3.1
113.06004	2.6
114.06330	2.0
115.00703	1.4
115.02335	1.4
115.03902	1.8
116.03497	8.5
116.07069	1.6
116.98611	17.0
117.03809	9.7
118.06554	1.8
119.01810	4.4
119.04911	3.2
119.08564	1.4
120.08121	1.8
120.97831	1.5
121.06516	2.5
121.10162	1.3
122.06050	3.7
123.08018	1.4
124.07627	5.6
124.99126	1.4
125.04215	2.6
125.07940	16.2
127.03910	4.7
127.06976	1.3
128.02303	1.5
128.98634	9.4
129.02112	1.7
130.06537	63.9
130.08632	4.0
131.00183	2.2
131.01715	1.7
132.04459	35.5
133.06520	1.4
133.10143	2.0
134.99638	5.8
135.08017	1.3
137.05981	14.4
137.09615	2.0
138.06415	1.4
138.47470	1.3
139.03958	1.4
140.02252	1.6
140.07066	2.7
141.11003	3.8
142.08630	1.3
143.00142	4.4
143.01833	2.0
143.09003	8.6
145.01695	2.7
145.03497	1.3
145.04883	2.2
146.01184	1.9
146.02283	2.3
146.04153	2.1
146.05994	3.6
146.99590	3.5
147.03203	4.3
147.04411	7.3
147.07948	1.2
147.11739	1.5
148.04773	1.7
148.07550	4.1
149.01193	2.9
150.09151	4.4
151.07639	1.9
152.02330	1.8
153.09094	1.8
154.01799	1.5
154.03816	1.7
155.02747	2.8
155.04657	24.2
155.54828	6.9
156.04958	1.5
157.01680	2.5
157.07623	44.4
157.10464	1.7
158.06023	74.1
158.11752	5.7
158.99652	12.4
159.12129	20.6
160.00044	1.8
160.09666	3.1
161.01236	3.7
161.02855	1.3
161.06076	1.6
161.09929	2.0
163.02773	2.4
163.07562	2.3
164.05186	3.9
167.08928	2.1
170.99609	3.1
173.02803	2.1
174.99146	3.7
175.02861	6.0
175.08682	100.0
175.11266	3.0
175.14894	2.1
176.05235	2.7
176.06807	1.4
177.00699	9.0
179.00096	1.5
179.03879	1.3
181.04942	5.4
182.03398	1.9
182.05077	1.4
185.04674	2.2
185.10063	23.4
186.05630	2.0
188.09151	1.3
188.54964	6.5
189.00711	2.4
189.04207	3.1
191.02356	1.4
191.03928	3.0
193.03813	1.8
193.15855	1.9
198.04523	2.6
200.04939	3.9
200.55107	2.6
200.57048	1.5
201.00656	2.5
203.03928	2.0
203.08144	24.8
203.11061	39.9
203.14720	3.7
204.06612	3.1
207.05391	2.3
209.05309	3.8
212.06224	3.4
213.05432	2.1
215.02298	1.8
219.01726	6.0
221.04819	1.6
221.06999	2.0
221.09221	24.6
221.12126	54.4
221.15758	5.6
221.18217	1.6
237.02859	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	220.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37726	0.4
54.36525	0.5
55.01848	0.7
55.05518	1.7
56.01401	0.5
57.03427	0.5
57.07077	7.3
59.04998	5.2
61.78290	0.5
67.05504	4.9
69.07073	4.3
70.02960	7.2
70.06594	0.7
70.66718	1.0
72.04517	16.0
72.08154	3.7
73.02915	3.5
74.02439	1.8
81.07056	1.7
83.05007	1.3
85.06551	10.0
86.06085	2.5
86.09707	1.6
87.04462	6.0
87.08098	1.9
90.05556	100.0
95.04978	7.2
96.08153	2.5
98.02419	18.4
98.06055	8.4
100.03980	1.5
103.07581	8.1
112.03893	0.5
112.07626	0.8
113.06002	3.1
116.03458	11.7
118.05062	0.5
124.07594	17.2
124.08501	1.0
131.07106	0.9
132.10178	0.8
140.10695	6.6
142.08636	7.6
155.04619	0.5
156.10211	1.7
158.11772	29.2
160.09715	2.1
166.08633	2.1
174.11266	3.2
184.09698	22.2
191.03403	0.5
202.10753	34.1
202.14362	3.4
220.11810	47.6
220.15114	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	220.1696
Annotation	Fabianine
Peak:m/z	Relative Intensity
58.83072	0.1
63.53358	0.1
69.78544	0.6
90.05548	0.5
105.07069	0.2
106.06570	0.2
110.60000	0.1
117.06992	0.1
118.06541	7.2
119.07345	0.3
132.08084	1.9
132.09001	0.2
133.08871	1.1
134.09644	0.6
144.08102	0.2
146.09645	2.2
147.10397	0.3
148.11205	0.1
152.04413	0.1
159.07733	0.1
160.11182	0.3
161.11916	0.1
162.09143	4.4
163.09915	0.2
164.10658	0.1
174.11028	0.1
174.12648	0.2
175.07152	0.3
176.10762	3.5
176.14348	24.0
177.11432	1.1
177.14728	0.2
178.12216	0.2
189.15028	0.3
190.09468	0.3
190.12257	2.4
191.13019	0.2
192.10202	0.3
202.15828	0.7
204.13991	0.1
205.15930	0.2
220.16960	100.0
221.17320	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1179
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
52.66127	0.8
55.01865	1.3
55.05523	0.7
56.01402	0.9
57.07078	6.3
58.78843	0.7
59.05006	3.6
60.94404	0.7
62.38045	0.7
67.05507	6.2
69.07065	5.1
70.02953	7.0
71.32738	1.1
72.04520	15.4
72.08153	1.0
73.02918	2.9
74.02441	1.6
81.07040	0.8
83.04986	1.4
85.06546	9.4
86.09707	1.5
87.04478	1.2
87.08106	1.4
90.05556	100.0
91.21301	0.6
95.04974	7.4
95.31992	0.7
96.08134	1.7
98.02415	15.4
98.06074	1.5
100.03973	2.4
101.01324	0.7
103.07585	7.0
107.08311	0.8
113.05999	2.8
114.09081	0.7
116.03451	12.3
116.78981	0.7
124.07596	17.0
134.96980	0.7
140.10739	1.2
142.08635	6.4
156.10196	1.3
158.11783	7.2
160.09726	1.8
166.08621	1.7
174.11305	2.0
184.09698	22.1
202.10750	34.5
202.14374	1.1
205.06931	0.8
220.11810	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	220.1332
Annotation	Darlingine
Peak:m/z	Relative Intensity
55.05507	1.2
56.05029	0.6
57.03426	0.6
57.07058	0.9
58.99572	2.4
67.05506	0.9
69.03429	0.8
69.07059	0.7
70.02962	0.5
70.06593	1.3
71.17022	0.7
71.17360	0.7
72.04498	2.0
73.02901	0.6
74.06056	0.7
76.02213	1.3
81.07050	1.5
84.04469	0.5
85.01141	4.0
85.06525	1.1
86.09702	1.1
86.99065	1.9
87.04472	64.9
90.05556	9.9
91.05504	0.7
98.02403	1.6
98.97581	0.7
102.03777	5.9
105.00089	0.9
107.08598	0.7
116.03457	1.7
117.07016	1.1
118.06557	5.0
119.07308	5.6
124.07610	1.2
131.01630	5.3
132.01154	0.6
132.08051	0.7
134.09656	100.0
136.06194	1.2
142.08633	0.6
148.03127	1.2
148.04272	16.3
159.04515	0.7
172.39369	0.6
174.11301	1.1
177.49646	0.6
184.09712	2.4
188.53838	1.2
202.09065	1.0
202.10782	2.6
203.07401	1.4
204.14674	1.2
205.15910	1.8
220.09843	3.1
220.13361	97.7
220.17831	2.5
241.41333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
55.05495	0.7
57.07074	5.7
59.04998	5.2
67.05510	4.9
67.17753	0.6
69.07072	5.1
70.02959	6.5
70.96283	1.6
72.04520	17.6
73.02926	3.6
74.02465	1.4
77.58309	0.6
80.12511	0.6
83.04983	1.4
85.06549	10.5
86.09718	1.2
87.04456	0.9
87.08108	2.6
90.05560	100.0
95.04980	5.9
96.08127	2.3
98.02418	17.5
98.06073	1.9
99.14194	0.6
100.03983	2.1
101.33234	0.6
103.07587	7.9
113.05987	3.2
116.03454	14.1
124.07597	17.7
125.62349	0.6
130.08627	0.9
135.39148	0.6
137.75272	0.6
140.10706	1.4
142.08632	8.8
156.10107	0.7
158.11777	8.4
160.09705	2.2
164.00673	0.8
166.08649	2.6
174.11313	3.1
184.09700	20.3
202.08800	1.2
202.10747	33.5
220.11813	47.6
220.15359	2.0
242.32980	0.7
243.92915	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1181
Annotation	Pantothenate
Peak:m/z	Relative Intensity
55.01873	2.7
55.05505	1.7
56.05038	7.1
56.96576	1.7
57.03443	4.3
57.04562	8.5
57.07084	6.6
58.06606	0.8
59.05006	4.9
60.04527	2.0
60.05660	0.7
61.02932	10.0
67.05513	6.8
69.03434	4.1
69.07069	5.0
70.02957	6.2
70.06596	2.0
70.29950	2.7
71.04991	0.7
72.04523	15.1
72.08144	2.2
73.02923	6.7
74.02436	1.8
74.05661	1.4
74.06084	26.9
81.03413	1.4
81.07066	1.1
82.06598	0.8
83.04987	2.2
84.04508	3.0
84.08156	1.7
85.02920	4.9
85.04825	1.1
85.06552	9.8
86.06046	0.7
86.09709	2.3
87.04473	1.8
87.08112	1.0
87.10057	1.1
90.05560	100.0
91.05907	0.9
95.04963	5.5
96.08126	1.9
97.02908	1.1
97.13816	0.8
98.02420	14.1
98.06068	2.2
98.97633	0.9
99.04461	1.2
100.03997	2.9
101.00890	2.9
102.05553	2.0
103.01295	1.4
103.02407	0.8
103.03944	0.9
103.07594	7.3
109.02856	1.0
110.09740	0.7
112.07583	1.2
113.02397	2.7
113.05998	4.2
114.05547	0.8
115.02460	0.9
116.03457	12.6
119.01946	2.8
120.02024	1.0
120.06591	7.3
123.02962	0.8
124.07597	14.7
126.02551	1.3
127.02361	0.7
127.03928	1.5
128.03441	1.2
128.10735	0.8
128.98637	0.7
130.08679	2.0
131.01929	1.2
131.07098	0.9
132.37727	0.6
133.02460	0.8
133.03444	3.0
135.03044	0.9
135.03978	1.0
138.05524	0.8
139.04071	0.8
140.10789	1.0
141.03972	0.9
142.02940	1.0
142.05002	1.6
142.08638	6.7
143.01880	1.4
144.10222	2.5
145.03458	1.6
146.10660	1.5
147.04936	0.7
148.04785	1.2
150.85231	0.7
153.04039	1.2
156.06630	0.9
156.10205	1.4
157.03525	2.1
158.08182	1.0
158.11781	7.0
160.03140	0.9
160.09720	1.8
161.02980	0.9
166.08714	2.1
168.99789	0.9
169.03493	1.5
172.99255	0.8
173.02934	0.9
173.99532	0.7
174.11311	4.9
175.04561	0.9
176.09169	1.4
178.02890	0.7
181.05244	0.8
184.06143	1.0
184.09700	21.1
185.02986	0.8
186.96922	0.9
187.00899	1.0
189.02441	1.2
192.17578	0.8
197.01260	0.9
199.06348	1.4
201.02498	1.4
202.07137	2.8
202.10760	30.2
202.14458	1.2
203.04060	0.9
205.15938	2.2
215.00429	1.1
220.05255	0.9
220.08371	1.9
220.11838	46.2
220.14369	7.9
220.17911	3.0
222.19357	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	Dihydromylione A
Peak:m/z	Relative Intensity
51.76355	0.5
53.03933	1.2
55.01867	1.0
55.05516	4.9
57.03432	1.5
57.07055	2.2
59.04990	2.0
65.03922	0.7
67.05508	8.6
68.09301	0.6
69.03419	1.5
69.07072	29.8
70.70010	1.3
71.05000	7.2
79.05499	5.1
81.03422	0.8
81.07063	14.9
83.04972	2.4
83.08627	4.0
85.06528	2.1
91.05466	6.0
93.07061	13.6
95.04976	2.4
95.08618	24.8
97.06522	2.7
97.10212	2.8
105.07035	20.7
107.08601	19.6
109.06527	5.6
109.10167	26.2
111.08083	2.7
113.09660	1.2
117.07040	4.2
119.08591	23.2
121.06507	2.7
121.10147	18.3
123.08064	2.7
123.11720	6.4
125.09631	2.6
129.06989	1.1
130.07780	2.1
131.08577	6.9
133.10139	11.3
135.08038	5.3
135.11713	13.1
137.09628	11.1
137.13245	3.4
143.08530	0.9
145.10130	23.1
147.08157	0.7
147.11694	5.5
148.08853	0.7
149.09622	9.3
149.13226	3.4
151.11194	2.2
157.06509	0.5
157.10135	1.1
159.11693	10.6
161.09573	0.7
161.13266	11.5
163.11194	17.3
163.14821	1.7
171.11699	0.7
173.13254	3.2
175.14841	6.9
177.12793	3.5
177.16377	2.0
179.72372	0.6
189.09052	0.8
191.16397	1.0
191.17964	9.4
196.71907	0.6
201.14584	1.2
201.16396	17.7
203.14311	3.1
219.17455	100.0
220.17842	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
57.03424	1.1
57.34733	0.8
58.87264	0.7
59.42809	0.8
60.07668	0.8
67.05497	0.9
70.16988	3.4
81.07070	1.3
91.05067	0.8
91.05495	8.4
93.07082	1.2
102.17641	0.7
103.05466	2.2
105.07011	1.2
115.05450	7.3
115.76228	0.8
116.06224	2.5
117.07015	2.9
119.04919	1.0
119.08569	1.0
128.06212	6.3
129.07013	28.9
130.07777	1.6
131.04929	6.1
131.07594	1.5
131.08577	29.5
133.10143	2.1
137.05989	1.8
141.06999	25.6
143.04912	1.6
143.08534	1.5
144.05678	4.0
145.06493	5.7
146.07268	3.9
147.11720	0.9
148.05223	1.2
151.07523	1.0
155.06100	1.3
157.06494	17.1
158.07288	16.3
159.04414	2.9
159.08057	21.0
160.05194	3.7
161.09608	2.7
163.07484	1.7
168.05708	1.1
169.06479	11.3
169.07683	1.5
170.07294	6.4
171.08080	1.2
173.05959	3.4
173.09706	1.4
174.06776	60.4
175.07544	8.7
185.05945	0.9
186.06776	15.3
187.07547	2.1
188.08379	3.3
189.09117	77.2
191.10681	7.0
201.09125	29.7
219.10179	100.0
219.17410	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	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
56.88540	0.8
57.03423	2.6
63.46778	1.0
69.73788	5.4
72.08146	1.2
81.07043	1.4
91.05476	7.1
98.04390	0.9
98.97651	1.5
103.03932	1.9
103.05469	2.4
105.07037	1.9
107.93711	1.0
115.05445	5.5
116.06245	1.4
117.05486	3.6
117.07003	1.5
119.08569	3.0
120.77512	0.9
128.06174	5.4
129.07014	27.3
130.07771	1.4
131.04944	4.9
131.08577	22.4
133.10114	1.5
137.05952	2.8
137.09575	1.2
141.06995	24.1
141.08116	1.2
143.04921	1.4
143.08588	1.7
144.05717	4.3
145.06512	5.1
146.06102	0.9
146.07275	3.0
147.04532	0.9
157.06488	17.4
158.07280	15.4
159.04437	2.5
159.08073	19.5
159.11635	1.1
160.05185	4.1
161.09645	2.2
169.06471	13.4
170.07274	4.8
171.08174	1.6
173.06023	2.9
173.09525	1.1
174.06776	52.3
175.07503	6.2
186.06795	11.4
188.08348	3.4
189.09116	76.5
191.10738	6.5
201.09113	34.4
201.10828	1.0
203.14340	2.2
219.10175	100.0
219.17380	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	219.1016
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
56.06242	0.7
57.03421	1.1
67.05497	1.1
69.51123	4.7
70.16778	0.7
79.05443	0.7
81.07032	1.0
85.22784	0.8
91.05481	6.4
94.06530	0.8
94.19253	0.7
96.69829	0.7
98.20752	1.6
103.05492	1.5
105.07023	2.0
115.05464	6.4
116.06203	1.8
117.07001	2.0
119.08577	1.2
128.06233	6.5
129.06026	1.4
129.07005	28.6
130.07767	2.3
131.04927	3.9
131.07587	1.5
131.08574	28.8
133.10094	1.6
137.06001	2.3
141.06996	25.5
142.53763	0.8
143.04915	0.9
143.08546	1.8
144.05679	3.5
145.06485	5.0
145.10178	1.2
146.07268	3.9
148.05188	1.3
155.06055	1.4
157.06500	16.5
158.07286	13.7
159.04422	2.8
159.08063	21.6
159.11642	1.5
160.05196	2.8
161.09628	2.1
163.07536	1.8
169.06465	10.7
169.07640	1.2
170.07288	5.4
171.04433	1.0
171.08032	1.0
173.05956	3.7
173.09543	0.8
173.13310	0.9
174.06772	62.1
175.07550	8.4
186.06772	13.5
187.07518	1.5
188.08348	3.5
189.09116	75.7
191.10661	5.2
201.09108	31.4
217.11383	0.8
219.10167	100.0
219.17365	4.4
220.10439	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
56.54435	0.8
57.42842	0.6
58.24420	0.8
61.72454	0.8
62.61362	0.7
69.22857	6.5
81.07050	0.7
91.05483	6.4
103.05472	1.7
103.77262	0.8
115.05459	7.0
116.06245	2.4
117.07025	1.7
121.63677	0.8
128.06212	5.6
129.07013	27.5
130.07785	2.1
131.04970	5.3
131.08578	27.3
137.05966	2.9
141.07007	24.8
143.04929	1.3
143.08559	1.9
144.05693	3.5
145.06517	5.6
146.07291	4.3
148.05205	1.8
157.06499	15.3
158.06099	1.3
158.07292	13.8
159.04379	1.8
159.08070	21.5
159.11682	1.4
160.05212	4.3
161.09621	2.8
163.07584	1.4
168.05812	1.2
169.06500	10.0
169.07690	0.9
170.07312	5.5
173.06036	3.7
173.09621	1.5
173.13217	0.7
174.06775	53.0
175.07558	7.9
185.05981	1.0
186.06790	12.4
187.07491	2.3
188.08315	2.4
188.79750	0.8
189.09122	74.3
191.06999	1.5
191.10683	4.7
201.09126	27.6
201.10995	1.7
219.10178	100.0
219.17464	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
51.02382	0.6
53.60658	0.7
57.03434	1.0
70.47894	1.7
70.48241	1.0
91.05476	6.6
101.22452	0.7
103.05448	2.6
105.07014	1.2
115.05468	6.7
116.06290	3.0
117.06999	2.9
119.08617	0.8
128.06221	6.9
128.23933	0.7
129.07014	32.6
130.07773	2.0
131.04926	7.1
131.08574	30.0
137.06013	3.3
140.06218	0.7
141.06998	32.0
143.04907	1.9
143.08537	1.2
144.05702	4.6
145.06496	5.7
146.07285	3.7
148.05185	1.4
148.69087	0.6
155.06123	1.1
157.06482	18.5
158.07272	16.0
159.04390	2.4
159.08061	21.3
159.11630	0.9
160.05219	3.9
161.06003	1.0
161.09605	2.5
163.07545	1.9
168.05659	1.3
169.06477	11.8
169.07661	1.5
170.07285	5.6
171.04373	1.0
171.08046	1.5
172.05103	0.8
173.05934	3.8
173.09637	1.0
174.06776	64.1
175.07562	9.7
185.05989	1.4
186.06758	16.0
187.07556	0.9
188.08305	2.4
189.09119	80.5
190.09526	0.8
190.14816	0.7
191.07066	1.4
191.10696	5.6
201.09109	33.1
219.10173	100.0
220.10484	0.7
225.53778	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1388
Annotation	(plusmn)-Propionylcarnitine
Peak:m/z	Relative Intensity
57.03436	0.3
58.06596	2.4
59.60972	0.3
67.99555	0.2
70.22010	1.2
71.51832	0.2
72.08155	0.8
77.63911	0.3
81.19727	0.2
84.08167	0.4
85.02927	0.3
86.06037	0.3
86.93845	0.2
88.07635	6.7
90.04964	0.2
97.76216	0.2
98.09715	0.4
104.02703	0.2
106.38531	0.2
109.06509	0.2
121.65684	0.3
122.81854	0.3
124.11246	0.2
139.92513	0.3
144.10205	47.5
156.10220	0.5
166.91454	0.2
174.11322	0.4
200.12918	0.5
218.13881	100.0
219.14177	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.83838	3.7
60.05640	4.5
70.21395	15.2
70.21754	4.5
84.08138	7.9
88.07651	4.9
89.07975	6.3
98.97577	3.7
116.16269	3.8
131.14195	4.5
144.10222	20.7
145.10600	26.9
160.09702	18.1
190.41380	3.9
219.02759	19.0
219.14265	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18840	0.9
55.01867	4.4
55.98696	0.8
59.05012	1.0
61.02645	1.6
61.02933	20.2
64.94103	0.9
69.03446	1.2
70.84788	1.6
71.01361	29.8
72.04494	1.0
75.04488	50.9
84.99286	1.6
85.02915	1.8
85.06520	0.9
86.09722	0.9
87.03992	1.4
87.04476	15.6
89.02390	6.9
90.05579	4.4
91.05527	0.9
98.02408	1.1
98.97600	3.6
101.06051	0.9
103.03951	61.9
116.98627	1.5
118.06545	1.3
124.07612	1.4
131.03413	14.0
132.08083	2.0
146.06032	1.4
157.84830	0.9
159.02905	100.0
160.07600	5.0
173.05972	1.0
179.95241	0.8
184.09761	1.0
187.02390	11.0
202.10762	2.1
203.14355	3.7
219.04932	13.1
219.06725	1.3
219.14941	2.8
219.17453	13.8
220.11801	2.5
235.10289	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1952
Annotation	(+)-Vulgraon B
Peak:m/z	Relative Intensity
53.61845	1.5
55.05515	10.3
67.05523	9.4
67.05817	2.1
69.07065	17.6
69.64108	4.6
69.64539	3.8
74.09700	1.3
78.56358	1.2
79.05483	3.3
81.07056	17.7
83.04971	6.5
83.08620	4.9
84.24621	1.5
89.06028	2.3
91.05485	4.9
93.07043	9.9
95.08614	42.9
97.10181	1.6
100.07564	1.5
101.06016	2.3
105.07037	19.1
107.08603	23.9
109.10158	30.6
109.10844	2.6
111.04436	10.8
119.08585	17.0
121.10149	22.0
123.11710	8.7
129.05507	2.9
129.28011	1.3
133.10141	8.7
135.11696	6.1
145.10085	1.8
147.11687	23.3
153.33951	1.3
155.05960	1.5
155.07047	9.7
159.11688	1.9
159.32880	1.3
161.13271	33.3
173.08148	7.3
175.14842	7.5
189.16414	2.3
196.99785	1.5
217.08615	2.6
217.10622	13.0
217.12517	3.2
217.19525	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.3
55.05502	1.6
55.54079	0.7
56.05020	3.3
56.96548	2.1
57.03423	2.5
58.02952	2.1
61.02906	1.4
66.03459	1.2
69.03430	54.6
69.95013	3.4
70.98122	1.1
72.04530	4.9
72.08134	0.9
83.04988	4.2
84.04506	42.9
84.08138	1.8
85.02908	14.7
88.04005	1.8
89.06008	0.9
95.01340	17.7
97.91126	0.7
98.97582	2.1
100.03964	1.6
100.07622	8.7
101.00865	2.7
101.02377	2.6
101.06030	1.9
110.02415	0.8
110.30191	0.7
111.01958	1.1
111.03183	0.9
111.04449	6.3
112.03968	51.7
113.02367	39.0
119.01918	2.1
127.01443	0.9
127.02419	1.5
128.03441	9.0
129.01860	1.7
129.02954	3.7
129.05507	1.0
130.05003	20.8
142.95261	0.9
145.03481	6.6
146.03439	1.3
146.04475	9.8
155.04515	12.1
155.05759	1.1
155.07011	5.8
157.02464	1.8
163.04515	1.8
169.13501	0.8
173.02962	1.4
173.08057	5.7
174.03992	6.6
174.99185	1.7
185.09268	1.1
191.04012	3.2
193.00200	1.5
199.03502	26.6
217.04561	100.0
217.10706	3.5
217.15416	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	215.1644
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
51.68760	0.6
53.03945	1.6
55.01867	2.7
55.05515	24.7
57.03433	3.3
57.07071	3.1
59.04999	0.7
65.03950	0.7
67.05508	32.0
69.03429	1.3
69.07073	26.3
70.79079	1.0
70.79407	1.3
71.04998	14.3
73.06552	0.9
79.05492	14.1
81.07060	76.9
83.04990	5.7
83.08622	21.3
85.06551	20.8
87.04478	0.9
91.05486	20.9
93.07053	23.3
93.07639	1.2
95.05009	0.9
95.08612	100.0
97.06532	25.5
97.10178	10.1
99.08094	10.1
101.06017	1.2
105.07034	25.2
107.08597	11.2
109.06514	2.8
109.10164	9.7
111.08110	4.8
113.05965	1.0
113.09675	3.2
115.07574	3.0
117.07001	0.9
119.08588	39.5
121.10154	9.7
123.08092	8.6
127.07582	1.7
131.08575	0.7
133.10139	27.0
135.11707	16.4
135.12715	1.1
137.09636	3.2
137.13261	18.6
141.09145	1.6
145.10197	0.8
149.13321	1.2
151.14865	1.1
159.11729	1.5
161.13266	85.1
168.44101	0.8
179.14319	43.3
197.15382	18.3
197.17130	1.4
215.10736	0.9
215.18109	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	215.1644
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
53.46026	1.8
54.91195	2.2
55.01851	1.9
55.05268	2.1
55.05516	25.3
57.03425	5.7
57.07066	1.6
65.03915	2.3
67.05508	33.8
69.06734	1.9
69.07076	24.5
70.78288	4.8
71.04997	15.5
73.06590	1.6
74.09713	7.1
79.05495	13.7
81.07063	74.6
83.04980	5.4
83.08622	22.4
83.13597	1.5
85.06556	26.7
89.68757	1.6
91.05484	18.7
93.07050	25.1
95.05024	1.8
95.08613	100.0
95.48576	1.5
97.06537	23.4
97.10165	10.2
98.98441	5.3
99.08106	12.9
100.51453	1.5
101.06029	1.8
105.07034	26.1
107.08581	9.6
108.58232	1.9
109.06476	2.7
109.10158	11.4
111.08086	6.0
113.09617	5.1
115.07573	2.8
116.05366	1.8
119.08590	38.6
121.10163	10.4
123.08100	7.9
127.07540	2.1
131.08604	2.9
132.95844	4.5
133.10146	28.5
135.11711	19.9
137.09581	2.4
137.13283	16.2
139.01559	7.4
141.09123	1.9
145.10138	2.6
150.96898	3.4
156.61072	1.7
159.11684	2.0
161.13266	81.8
173.13248	1.7
179.14320	48.1
191.89038	1.5
197.09695	2.0
197.13486	3.1
197.15317	19.3
201.73317	1.5
215.07054	1.9
215.10753	4.0
215.14307	6.1
215.17703	6.7
216.12355	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	215.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.01831	2.0
55.05497	5.8
56.05038	92.6
62.76033	1.3
67.05512	6.8
68.05032	15.7
69.03435	1.7
69.07069	100.0
70.70338	2.9
70.95868	1.4
72.04502	6.4
74.02449	8.9
74.06084	58.7
74.09708	3.9
79.05488	22.3
80.04999	3.9
81.05782	6.1
81.07062	12.4
82.06587	10.6
83.04946	1.6
83.08609	2.9
84.04498	4.6
88.02206	5.7
89.04755	2.5
91.05480	2.8
93.07041	1.8
94.06582	8.6
95.04931	2.4
95.07278	1.6
95.08579	4.9
96.08134	45.6
97.06541	4.3
97.08913	22.2
97.12772	1.4
98.09705	4.1
98.10349	1.4
98.97576	3.5
98.98473	2.0
102.05550	27.8
107.08604	1.6
107.97503	1.2
108.08118	2.8
112.09985	4.0
114.09190	11.9
115.55169	1.2
117.07038	1.7
118.05063	1.7
119.08607	2.4
120.06570	10.1
121.06539	1.4
122.09677	7.2
126.46376	1.3
130.04997	6.5
131.08543	2.2
132.95859	9.6
134.02698	3.6
139.01544	3.9
141.06996	1.9
144.05641	1.7
145.06500	2.4
150.96886	5.5
152.10719	2.6
168.79716	1.5
173.05977	2.0
187.07489	1.8
187.11188	2.3
191.97136	4.4
198.11264	36.1
215.07011	6.6
215.10684	3.1
215.13885	11.4
215.15685	2.3
216.10570	1.6
231.23607	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	214.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
55.01867	2.0
55.05517	45.5
56.05047	1.8
57.03426	3.2
57.07077	1.6
67.05515	30.8
69.03427	2.0
69.07079	46.3
69.79296	6.9
70.06580	2.7
71.04980	5.2
73.06544	2.1
74.18858	1.4
79.05504	10.7
81.07066	77.8
82.07372	1.4
83.04975	4.7
83.08149	2.8
83.08629	37.8
84.08121	1.3
85.02889	2.0
85.06536	5.8
87.04487	2.1
88.95504	1.2
91.05037	1.5
91.05496	14.1
93.07067	19.2
95.04948	1.8
95.08619	96.2
97.06558	13.3
97.10182	14.0
98.09701	4.0
98.97580	4.0
99.08092	4.5
99.95482	1.5
105.07047	17.7
107.08614	10.1
108.08939	1.6
109.06524	4.0
109.10170	10.4
111.08089	4.7
115.07555	3.9
117.07052	1.4
119.08601	29.6
121.10155	9.3
123.08110	8.7
127.07589	3.4
128.02304	2.6
133.10162	18.7
135.11708	16.2
137.09637	4.7
137.13274	20.1
141.09087	2.4
158.92732	1.2
158.99770	1.4
161.13272	51.5
165.74861	1.5
172.66695	1.4
178.16852	2.7
179.14355	15.0
187.11259	1.8
191.83731	1.5
192.37756	1.4
196.16991	15.8
214.10738	2.0
214.18047	100.0
222.95360	1.4
227.68106	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01861	3.4
55.05513	11.6
57.07071	2.7
63.06524	1.1
67.05495	4.2
69.03420	3.0
69.07069	21.8
70.51053	2.5
70.51381	1.2
71.04983	3.0
75.30752	1.1
79.05489	7.5
81.03422	2.0
81.07059	19.1
83.08626	12.1
85.06542	5.0
91.05447	2.0
93.07046	13.8
95.04945	1.3
95.08608	39.2
97.10194	6.9
99.08097	22.5
100.11260	3.8
105.07033	3.8
106.75454	1.0
107.08601	36.3
109.02903	2.3
109.10158	10.1
111.08080	13.9
111.11670	1.8
113.09618	4.0
115.11197	1.4
119.02196	1.1
119.08671	1.7
121.10148	58.6
123.11695	2.5
125.09641	10.3
127.03935	5.3
135.04388	1.4
135.11702	12.2
137.13242	7.3
139.11134	2.1
141.11452	4.0
149.13249	4.5
153.12831	1.3
163.03911	1.9
168.12202	1.1
177.16396	100.0
180.04214	5.1
182.15395	2.0
183.02829	1.7
195.06564	4.6
195.17459	14.3
199.18001	1.8
213.05846	1.5
213.07533	7.8
213.16328	1.2
213.18452	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	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
55.01871	2.9
55.05503	9.0
57.07063	2.7
67.05500	4.4
69.03431	1.1
69.06720	1.6
69.07066	14.8
69.31854	8.4
71.04988	2.3
79.05476	3.3
81.07055	17.1
83.08620	10.9
85.06531	3.3
90.49607	1.0
91.05493	2.0
93.07047	13.0
95.08608	35.9
97.10178	8.3
99.08092	20.0
105.07030	2.7
107.08595	34.1
109.10155	9.6
110.81828	1.2
111.08085	15.4
113.09642	2.1
120.98186	1.0
121.10143	62.2
123.11665	1.3
125.09631	7.3
125.13229	1.2
135.11696	12.4
137.13260	8.7
139.11125	2.8
143.20459	0.9
149.13290	5.7
177.16389	100.0
192.13202	1.0
195.17436	14.5
213.18498	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	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03954	1.9
55.01859	2.9
55.05513	33.8
56.69236	1.2
57.03431	4.8
57.07076	13.0
59.04993	2.7
67.05510	20.8
69.03414	2.5
69.07070	40.8
70.07404	1.5
71.03845	3.0
71.04993	9.1
71.08634	3.1
79.05489	21.3
81.03418	1.7
81.07061	58.6
83.04968	2.3
83.08151	2.6
83.08621	33.9
85.06557	8.0
85.10174	1.4
91.05479	9.7
93.07048	49.3
95.04952	2.5
95.08611	88.2
97.06506	5.9
97.10173	16.9
98.97553	2.0
99.08080	9.4
105.07033	6.9
107.04982	1.8
107.08601	64.7
109.02881	3.2
109.10165	33.2
111.08084	7.4
111.11711	6.4
113.09618	2.0
119.08632	2.1
121.10146	76.7
123.11697	14.1
125.09607	5.2
126.86938	1.3
127.03913	5.5
135.08054	1.5
135.10699	2.0
135.11693	30.6
137.13289	13.9
139.11215	9.3
149.13223	8.4
151.14819	6.8
153.12746	3.2
154.06236	1.7
165.16386	10.0
167.07036	4.3
175.24928	1.2
177.16400	100.0
183.17445	1.9
195.10216	1.7
195.17471	22.3
213.05600	1.8
213.16638	1.4
213.18483	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	213.1599
Annotation	1,4'-Bipiperidine-1'-carboxylic acid
Peak:m/z	Relative Intensity
55.01860	0.3
55.04255	0.2
55.05501	0.5
56.05020	0.4
57.07061	0.5
62.54026	0.2
65.38309	0.1
67.05501	0.4
68.99818	0.2
69.03424	0.4
69.07055	0.4
69.45640	0.4
69.46039	0.9
70.06602	1.1
71.05000	0.3
72.08136	0.5
79.05484	0.5
81.03403	0.6
81.07058	0.3
82.06584	0.6
83.04956	0.3
83.06100	0.7
84.06895	0.4
84.07697	0.2
84.08151	3.3
85.02911	0.4
87.00841	0.1
87.05592	0.2
88.03992	1.4
88.07619	0.2
91.05457	0.4
93.07044	0.4
95.04962	0.3
95.08601	0.3
96.04494	0.2
97.02876	0.3
97.06528	0.2
97.07660	0.2
98.09698	8.3
99.04433	0.5
105.07026	0.2
107.04945	0.7
107.08588	0.4
108.08135	0.3
109.02884	0.7
109.06504	0.2
110.09678	0.2
111.04440	0.3
111.09209	0.6
111.54235	0.1
113.07114	0.3
121.02865	0.6
121.10151	0.2
122.06019	0.6
125.05997	0.3
125.10773	0.4
126.11506	0.5
127.03909	1.0
128.07074	0.2
130.08641	2.3
130.96318	0.3
131.08504	0.2
135.04440	0.3
137.05984	0.5
139.12302	0.2
140.04713	0.2
148.97379	0.4
149.09615	0.5
149.13376	0.2
151.03859	0.3
152.07130	0.3
153.05408	0.5
153.13873	3.3
157.06493	0.2
163.03886	0.4
164.10751	0.9
167.07059	0.5
167.10648	0.3
168.16263	0.2
170.10492	0.3
171.11275	0.2
177.09117	0.2
181.13358	0.4
195.06543	0.6
195.10135	0.3
195.14905	0.3
196.09645	0.2
213.15984	100.0
214.16292	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03948	1.0
54.46731	0.7
55.01876	10.3
55.05514	47.6
57.03426	1.4
57.07078	1.3
59.04990	1.3
61.34354	0.7
65.03957	0.8
67.05505	17.6
69.03428	6.0
69.07068	9.7
71.04997	46.2
79.05494	13.9
81.03420	1.6
81.07060	22.7
83.04981	4.7
83.08623	29.6
83.09122	1.4
85.06548	5.1
87.04467	8.1
87.97799	0.8
88.07603	1.3
91.05460	3.6
93.07048	12.9
95.05003	1.0
95.08604	8.2
97.06535	60.8
97.10173	41.0
99.04449	0.8
99.08092	1.4
101.05993	1.2
101.09657	1.0
101.79276	0.7
105.07000	2.7
107.08595	15.1
109.02878	0.8
109.06493	1.5
109.10152	10.6
111.08076	2.9
112.12792	0.7
117.07005	3.2
121.06507	2.1
121.10104	3.0
123.11728	0.8
125.09636	26.2
127.03886	1.5
131.08525	3.7
133.10190	3.7
135.08031	3.9
135.11684	5.0
142.07758	0.8
143.10573	0.8
147.11697	1.1
149.09586	1.7
149.13245	2.9
153.09114	1.8
157.10141	0.9
159.11688	3.9
167.14372	1.1
171.10181	2.0
177.12740	5.9
177.16331	2.5
182.11224	0.7
189.11246	5.4
191.04080	0.8
195.13809	35.2
204.64734	0.7
213.14851	100.0
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
53.03935	3.1
55.01871	3.3
55.05513	18.9
55.06398	1.4
57.03442	8.8
57.07068	5.5
66.13241	1.2
67.05508	67.8
68.99792	1.4
69.03423	2.4
69.06731	2.0
69.07073	28.4
70.06602	1.5
70.08372	5.1
71.04986	8.5
71.08623	5.5
79.05495	38.1
81.03447	3.1
81.07061	100.0
82.92902	1.5
83.05001	10.5
83.08630	19.9
85.06528	6.2
88.07616	4.9
91.05489	26.2
93.07050	64.6
95.04960	5.6
95.08617	27.7
97.06544	18.8
97.10175	3.0
98.21474	2.5
99.04462	1.4
99.08093	7.7
105.04536	1.3
105.07027	17.3
107.04944	1.7
107.08598	34.6
109.06494	2.9
109.10147	5.5
111.04437	1.7
111.08080	11.1
113.09585	1.4
117.07013	12.7
119.06042	1.1
119.08584	12.0
121.06495	3.2
121.09338	1.7
121.10162	22.3
123.08044	1.5
123.11695	3.9
125.02367	10.5
125.09623	3.0
127.03897	3.6
128.06229	2.3
129.06985	5.2
130.70061	1.3
131.08571	12.5
133.10138	16.6
135.08051	2.9
135.11707	18.5
139.07619	1.8
142.07774	5.0
143.03375	6.2
143.08577	5.2
145.10130	5.0
147.11720	2.0
149.09578	2.4
149.13278	39.7
151.03925	1.4
157.10110	13.6
159.11717	21.0
167.08507	1.6
167.14308	5.0
171.11702	9.3
177.12784	8.1
177.16370	5.7
185.09639	1.9
195.06508	3.7
195.08136	1.6
195.10098	2.8
195.13817	16.9
208.34531	1.3
213.05515	4.4
213.09085	3.6
213.11130	5.0
213.12761	4.7
213.14825	3.2
213.16493	17.2
232.17969	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03940	1.4
55.05264	1.4
55.05513	16.8
57.03438	1.8
57.07079	11.0
67.05514	4.7
69.03431	1.6
69.07091	5.5
69.86840	4.1
73.97445	0.8
79.05509	5.8
81.07052	6.9
83.04983	9.0
83.08607	1.4
85.06545	5.8
86.87847	0.8
88.07635	1.6
91.05474	5.5
93.07047	16.9
95.04977	1.9
95.08611	14.0
97.06535	6.0
98.19691	0.7
99.88563	0.7
105.07064	6.1
107.04989	1.3
107.08606	22.1
109.06538	5.4
109.10155	3.4
111.04451	100.0
111.08086	3.4
113.06007	1.4
117.07008	2.2
119.08611	2.4
121.06512	2.6
121.10145	4.7
123.08070	1.5
125.06008	28.5
125.09682	0.8
127.07589	3.9
130.07811	1.4
131.08546	0.8
135.08067	14.2
135.11700	22.7
137.13275	2.8
139.07602	3.7
142.07745	1.1
143.08557	1.6
145.10136	18.5
153.12782	4.5
156.09354	0.7
157.10147	2.6
163.11186	24.0
171.11711	2.4
181.12245	51.3
185.13179	1.0
195.06593	1.2
195.13834	4.2
213.09259	0.7
213.12723	2.9
213.14813	2.3
213.16570	6.3
216.97923	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03929	0.9
55.05516	16.0
57.03436	2.5
57.07077	10.5
61.50844	0.5
62.95020	0.7
67.05495	3.6
67.41347	0.6
69.03428	1.3
69.07077	5.1
69.25178	3.5
69.25582	1.5
69.29963	0.5
71.04989	1.0
79.05504	3.7
81.07066	7.0
83.04989	7.7
83.08617	1.8
85.06538	6.0
88.07640	2.3
88.53027	0.6
91.05491	3.5
91.31683	0.6
93.07051	12.7
95.04973	1.9
95.08609	12.2
97.06538	6.5
97.10093	0.6
99.08080	0.8
105.07031	5.3
107.05029	0.8
107.08598	19.4
109.06525	4.2
109.10148	3.0
111.04446	100.0
111.08096	2.7
113.06002	2.2
115.05452	0.9
117.07016	1.9
119.08589	2.7
121.06472	2.9
121.10110	2.7
122.07287	0.7
123.08078	1.1
125.05997	28.5
127.07545	3.1
129.07051	0.7
130.07761	1.7
131.08542	0.8
133.10143	0.7
135.08066	15.5
135.11699	22.7
137.13264	2.1
139.07520	6.0
142.07800	0.8
143.08560	2.4
145.10124	17.6
145.46675	0.6
153.12762	5.2
156.09302	1.1
157.10114	2.1
163.11189	25.5
171.08073	0.7
171.11694	2.2
177.16467	0.7
181.12241	58.1
185.13260	0.8
195.13838	5.1
197.60742	0.7
198.10443	1.0
213.12729	2.7
213.14784	2.3
213.16512	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	213.1487
Annotation	MKN-003B
Peak:m/z	Relative Intensity
50.49503	1.7
53.03950	1.7
55.01875	3.3
55.05516	18.2
57.03441	12.7
57.07064	6.0
67.05507	72.6
67.87070	1.6
69.07073	27.1
70.06580	1.7
70.84140	3.6
71.05013	9.1
71.08617	1.8
79.05495	37.2
81.07059	100.0
83.04984	12.1
83.08624	17.2
85.02895	6.9
85.06539	7.1
88.07641	5.2
91.05479	23.6
93.07049	69.4
93.07602	1.2
95.04988	4.6
95.08611	27.2
97.06519	15.9
97.10153	2.3
99.04504	1.6
99.08092	4.8
105.07027	10.7
107.08596	35.0
109.06560	1.9
109.10149	3.3
109.16573	1.7
111.08105	8.7
117.07030	13.3
119.08573	4.7
121.10149	21.6
123.11726	3.3
129.06999	2.7
131.08577	12.3
133.10155	11.7
135.08057	2.5
135.11703	15.2
139.11188	2.0
142.07800	2.2
145.10124	4.9
147.11702	2.3
149.09628	1.9
149.13266	60.7
157.10159	5.1
159.11703	23.6
171.06371	1.9
171.11681	6.3
177.12802	12.8
185.12874	1.7
195.06529	1.8
195.13835	19.9
195.15549	3.6
213.12805	3.1
213.16536	12.4
220.20346	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
53.03938	3.5
55.01867	3.8
55.05519	17.0
56.61299	1.2
56.96552	1.5
57.03442	17.6
57.07072	6.0
65.03946	2.4
67.05511	84.1
69.07072	30.1
70.78410	3.9
70.78780	1.3
71.01333	1.6
71.04992	8.3
71.16591	1.4
73.02892	1.5
79.05497	39.6
81.03425	2.9
81.07064	100.0
83.04981	12.6
83.08626	18.5
85.02887	1.5
85.06538	3.6
88.07631	2.0
91.04964	1.9
91.05489	20.3
93.07050	77.8
95.04947	7.1
95.08060	1.9
95.08615	26.6
97.06546	17.6
97.10146	2.6
99.08098	4.1
105.07050	8.0
107.04895	1.5
107.08604	38.7
109.06507	3.3
109.10164	5.6
109.56067	1.2
111.08123	10.1
113.05987	1.6
113.09647	2.3
117.07043	10.3
119.08577	4.3
121.06499	3.1
121.10146	23.7
123.11681	3.0
125.09653	1.5
129.07007	1.8
131.08577	12.0
133.10159	8.8
135.08043	1.6
135.11703	16.4
139.07518	1.9
139.11206	1.7
142.07806	1.4
149.09679	2.3
149.13269	65.0
157.10144	4.0
159.11705	26.0
167.14352	2.0
171.11649	1.8
177.12788	12.4
185.13318	1.5
195.13814	12.7
213.05608	2.1
213.09068	1.9
213.12654	4.0
213.16331	5.1
216.96692	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03947	3.5
55.01859	2.5
55.05518	16.3
56.05032	1.5
57.03196	1.7
57.03445	21.1
57.07074	2.2
58.57046	1.3
62.58487	1.4
67.05511	67.3
69.07070	18.0
70.48908	4.6
71.01369	8.1
71.04992	5.6
79.05499	50.6
81.03419	9.4
81.07066	31.2
83.05000	18.7
83.08614	6.8
85.06528	5.9
88.07658	1.8
91.05489	17.9
93.07051	63.4
93.07642	3.1
95.04955	4.9
95.08627	8.5
97.06538	22.0
97.10184	8.9
99.04452	2.1
99.08107	2.4
100.01475	1.4
105.07023	4.8
107.04958	2.7
107.08608	40.0
109.06470	2.0
109.10171	5.3
111.08062	2.1
111.11707	2.4
117.07031	6.6
119.08606	8.5
119.69602	1.3
121.06550	3.1
121.10149	15.7
125.09594	2.4
133.10115	6.8
135.11700	100.0
137.09595	4.4
143.08574	1.8
145.10126	21.7
153.12756	2.8
157.10089	1.9
163.11191	14.5
171.11662	1.9
177.12700	1.6
181.12251	24.0
211.34192	1.4
213.16385	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	213.1487
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03935	2.9
55.01883	1.9
55.05514	13.9
57.03190	1.4
57.03445	19.0
57.07067	2.6
57.40987	0.9
67.05511	62.2
69.03467	1.1
69.06725	1.3
69.07075	17.8
70.48738	1.2
70.49061	1.4
71.01372	8.2
71.05000	10.1
73.61774	0.9
79.05502	50.9
81.03430	9.5
81.06588	1.7
81.07064	31.1
83.04984	17.1
83.08630	5.5
83.62402	1.0
85.06564	5.4
86.66305	0.9
88.07640	2.8
91.05486	16.8
93.07051	60.6
95.04958	5.0
95.08617	7.9
97.06542	19.3
97.10174	8.2
99.04448	1.3
99.08096	3.1
105.04552	1.4
105.07027	3.8
107.04962	2.5
107.08603	39.1
109.10165	6.3
111.08113	2.2
111.11728	1.4
117.07024	8.0
119.08598	9.0
121.06494	2.4
121.10152	15.6
125.09611	2.2
129.07018	1.9
131.08524	1.1
133.10147	5.9
135.08076	1.8
135.11707	100.0
137.09592	2.8
143.08545	2.0
145.10136	14.7
145.91402	0.8
149.09518	0.9
149.13287	2.7
151.11172	1.2
153.12747	3.7
157.10168	2.3
157.78609	0.8
159.11691	1.3
163.11200	14.0
171.11659	1.8
181.12273	19.8
195.13751	1.0
199.13234	1.2
213.12859	1.0
213.16479	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	213.1487
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03939	5.1
55.01866	9.0
55.05514	26.7
57.03440	17.8
57.07057	9.1
58.38528	2.9
65.03936	4.2
67.05514	86.3
69.07072	37.7
69.75599	12.8
70.06650	3.0
71.01342	5.9
71.04991	10.8
79.05498	58.9
81.03409	9.6
81.07063	100.0
83.04974	20.0
83.08620	24.3
85.06544	5.9
88.07630	13.8
91.05490	28.1
93.06480	4.9
93.07050	96.5
95.04967	8.0
95.08617	35.4
95.09597	3.4
97.06545	27.2
97.10143	8.3
97.37173	2.6
99.04431	4.2
99.08086	6.7
105.07030	12.9
107.04955	4.3
107.08598	57.5
109.06551	7.9
109.10149	10.3
111.08057	11.4
117.07012	17.7
119.08567	13.1
121.06533	7.7
121.10143	30.5
122.89531	3.4
125.06002	4.8
129.07005	8.6
131.08546	12.2
133.10106	17.4
134.72476	2.7
135.08084	4.9
135.10689	4.8
135.11710	71.2
142.07793	3.8
143.08540	9.4
145.10149	22.3
149.09648	3.5
149.13268	43.9
157.10150	15.4
159.11720	19.2
163.11186	6.7
171.11681	14.6
177.12727	10.4
177.16396	8.9
181.12210	13.5
181.73076	2.8
185.13254	5.8
194.93312	2.9
195.06531	6.3
195.13826	10.0
213.12955	18.8
213.16391	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	213.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.3
55.01878	0.8
55.05518	8.4
56.05039	3.2
56.96571	3.0
57.03445	1.3
60.04532	2.7
61.02922	1.1
65.03938	1.3
65.98474	0.7
67.04268	0.7
67.05511	4.5
68.05026	5.0
68.99812	1.1
69.03434	2.0
69.07079	2.6
70.02957	1.6
70.06600	2.0
70.25990	2.9
71.04982	1.3
72.04510	1.3
72.08160	2.2
73.02919	2.4
76.50632	0.7
79.05502	19.7
80.05022	10.4
81.03433	1.7
81.07064	35.5
82.06590	15.7
83.04964	1.6
83.08636	3.5
84.04494	2.3
84.08158	1.2
85.02911	1.4
85.06563	0.8
86.02441	2.8
86.09729	1.8
87.05599	19.2
88.04007	0.9
88.07641	2.2
88.95279	0.8
91.05492	4.3
93.03412	1.3
93.05790	3.1
93.07052	2.9
94.06584	4.0
95.04995	2.1
95.07355	2.4
95.08608	5.8
96.04467	1.1
96.08142	3.4
97.02895	1.7
97.06542	1.1
97.08932	15.6
98.09709	7.5
98.97606	1.8
99.00831	1.7
99.04465	0.9
99.08094	1.2
100.03988	3.1
105.07034	2.3
106.06567	0.8
107.04965	6.7
107.08603	2.8
108.04500	2.3
108.08130	100.0
109.02888	1.1
110.03674	2.4
110.06028	1.2
110.09699	18.2
110.97492	0.9
111.04466	3.0
113.07195	1.2
114.05553	2.6
116.98642	0.8
119.04984	1.1
121.02877	5.0
121.06490	1.7
121.10213	1.1
122.09676	20.5
123.04448	1.6
123.08083	2.1
124.02191	5.0
124.07605	3.4
124.11240	3.4
125.06016	9.9
126.05510	1.6
126.09164	6.1
127.03946	1.8
128.03461	2.9
130.96301	2.2
133.02884	1.8
134.06020	2.1
135.04431	3.9
136.07619	2.9
137.06006	1.4
139.03889	1.9
139.09784	1.6
140.04710	1.2
140.07120	1.0
140.10643	5.4
141.05499	1.0
142.05000	1.5
148.97389	2.5
149.06042	3.9
149.09622	1.5
150.03154	1.1
150.09137	7.1
151.03926	10.8
151.05028	1.4
152.07092	3.1
152.10693	3.3
153.05482	3.7
154.05034	8.6
154.08647	63.1
163.03947	2.1
165.05479	4.8
167.05641	1.0
167.07059	4.2
167.11794	11.3
168.10197	5.2
169.13461	1.6
170.11789	1.6
177.05502	3.2
177.09074	1.0
178.08661	2.1
179.07109	1.3
181.04916	2.5
185.12778	1.2
189.97635	1.6
191.02797	0.7
195.06543	2.4
196.09709	33.3
213.05627	1.2
213.07562	1.8
213.12364	40.1
213.16025	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	213.0758
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03941	2.3
55.01853	1.0
55.05505	1.2
60.05618	0.7
61.02924	9.9
65.03935	5.7
66.65672	0.7
67.05496	3.2
69.74243	4.3
70.06593	1.7
70.48747	0.7
70.69955	0.7
71.04960	0.7
77.03959	0.7
79.05067	1.2
79.05495	17.3
81.07065	1.2
84.08138	1.0
85.02939	0.7
88.04014	1.1
91.05486	6.0
93.03418	11.2
93.07042	1.6
94.04138	0.8
95.04953	3.2
98.21510	1.0
99.98407	0.7
104.53703	0.7
105.04514	1.4
105.07035	2.0
107.04961	25.7
107.08598	3.0
108.02099	2.3
109.02905	1.2
109.06491	1.4
110.03667	21.7
110.04373	1.4
111.04458	8.3
111.06618	0.9
117.03357	1.4
119.04940	2.4
119.08595	4.4
121.02877	2.0
121.06506	9.3
121.10135	1.7
122.03661	6.1
123.04407	1.3
125.05998	63.9
127.03906	1.7
131.08601	1.6
133.02863	12.1
135.03397	1.5
135.04424	29.1
137.05992	5.1
139.09793	5.6
140.10576	12.0
141.05479	3.6
147.08012	1.6
148.97285	0.8
149.05991	19.7
149.09598	1.7
150.03142	11.9
151.03917	100.0
151.05028	9.8
151.11206	0.7
153.05457	14.8
153.13828	0.8
162.03175	0.9
163.03896	7.3
165.05484	40.4
165.09120	1.4
167.07040	20.8
177.05473	20.7
177.07053	0.8
177.09047	1.1
189.97676	0.8
195.06528	17.9
195.10234	2.3
213.07597	12.4
213.09335	1.3
213.11145	4.7
213.13507	4.2
213.16020	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	211.1694
Annotation	beta-Isocyclolavandulyl propionate
Peak:m/z	Relative Intensity
53.03950	2.6
55.01861	4.6
55.05276	2.7
55.05518	37.0
56.96569	33.0
57.03451	7.6
57.07071	3.8
59.05000	1.4
61.39522	1.6
61.58639	1.4
67.05510	43.4
69.03419	3.6
69.07075	27.6
70.67826	1.4
71.05012	10.7
71.53256	1.6
72.08138	2.2
73.06555	3.0
79.05504	26.7
81.02993	1.9
81.03423	24.5
81.07066	90.2
83.04990	24.0
83.08623	24.2
84.96024	5.2
85.02908	1.7
85.06538	9.7
91.05481	33.3
93.07047	29.9
95.04980	18.4
95.08615	100.0
97.06544	18.4
97.10184	10.3
97.99188	15.6
99.04449	5.8
99.08099	10.4
105.06393	2.8
105.07040	33.2
105.86717	1.6
106.53938	1.4
107.04935	1.8
107.08611	20.8
109.06531	9.7
109.10175	18.0
111.08109	9.0
113.09626	2.1
115.07546	3.3
116.00234	6.4
119.08585	43.6
121.10170	14.4
123.04393	3.0
123.08070	10.1
123.11690	4.8
125.09630	2.2
129.07016	4.0
131.08611	4.5
133.10143	33.5
135.11699	23.5
137.09613	7.9
137.13232	15.2
141.09091	3.8
143.99698	3.4
147.11722	9.9
149.09676	3.3
151.04021	2.2
151.11217	3.5
151.14815	4.2
155.08626	2.8
155.10718	2.5
157.10118	6.7
161.13263	67.1
165.09093	2.1
165.12759	3.6
167.08586	2.5
167.10629	2.1
169.10103	3.1
175.11163	7.1
175.14832	6.5
179.14331	56.8
183.11661	2.7
193.08650	2.4
193.12213	14.2
193.15843	4.3
196.12431	4.5
211.07503	2.5
211.11336	3.2
211.13263	9.0
211.14847	8.4
211.16969	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	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47431	1.1
50.96007	1.2
54.34536	1.2
55.05317	1.3
55.05516	14.7
57.07074	2.9
59.04985	2.6
60.89684	1.0
62.92412	1.2
67.05506	16.3
69.03413	2.1
69.07050	4.7
69.67805	5.3
69.77122	1.0
71.05001	10.3
79.05479	4.8
81.07059	14.5
83.04974	4.0
83.08627	16.9
85.06540	4.4
91.05485	1.8
92.00264	1.1
93.07050	12.7
95.04369	2.5
95.04977	51.1
95.08610	31.6
97.06516	4.5
97.10154	1.4
98.29858	1.3
99.04466	10.3
99.08099	100.0
99.78745	1.1
101.60117	1.0
105.07009	3.4
107.08607	8.4
109.06519	3.6
109.10165	38.6
111.08083	4.1
113.05976	2.2
113.09655	1.9
119.08574	7.2
121.10168	7.9
123.08080	3.4
123.11694	4.9
125.09653	1.5
127.11204	2.2
133.10132	7.7
133.96181	1.2
135.11685	17.8
136.49968	1.3
137.09619	34.4
139.11220	3.1
151.11208	2.8
151.14819	3.8
153.12802	2.5
155.10678	34.9
165.93600	1.2
167.07120	1.4
175.14798	9.0
193.15897	17.1
211.16942	61.2
221.19290	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.05520	8.5
57.03424	1.1
57.07070	1.4
59.05001	2.3
59.82990	0.9
66.33566	1.0
67.05507	12.4
69.03432	2.2
69.07075	4.8
71.04998	10.4
71.44876	1.7
79.05496	1.2
81.07075	9.2
83.04980	4.0
83.08626	7.8
83.66480	0.9
85.06544	6.5
91.05476	2.2
93.07066	8.6
95.04974	35.2
95.08616	33.0
97.06557	1.3
99.04462	12.7
99.08100	100.0
101.06023	5.4
105.07034	2.2
107.08602	7.7
109.06512	3.4
109.10168	37.3
111.08076	2.3
113.06003	1.6
113.09634	1.1
119.08566	8.3
121.10159	4.0
123.08080	1.1
123.11696	2.7
125.09660	1.7
127.07542	1.7
127.11207	0.9
133.10118	6.2
135.11690	15.0
137.09624	24.7
149.13266	3.3
151.11218	2.5
151.14851	4.7
153.12712	2.4
155.10683	31.4
165.16438	1.1
175.14850	9.7
193.15898	19.1
211.16948	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	211.1695
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.17925	1.4
52.42662	1.3
53.03936	4.2
55.01868	8.2
55.05515	48.2
56.96571	10.6
57.03201	1.8
57.03441	22.8
57.07063	5.8
59.05016	10.4
63.29895	1.5
65.03942	2.6
67.05511	46.9
67.83036	1.5
69.03429	10.0
69.07072	40.8
69.96072	1.4
71.04998	49.9
71.08630	1.7
72.08151	4.8
72.08532	1.7
73.06557	3.2
79.05068	2.3
79.05499	39.0
81.02934	1.5
81.03423	68.1
81.07063	83.5
81.54606	1.4
83.01330	2.3
83.04990	37.7
83.08623	40.1
84.96025	2.2
85.02895	2.6
85.06561	13.1
87.04441	2.3
87.71615	1.6
87.76809	1.5
91.05481	38.8
93.06492	3.3
93.07051	57.6
95.04981	38.3
95.08612	78.1
97.02887	4.3
97.06537	27.3
97.10171	13.2
97.99156	4.8
98.20603	3.4
99.04449	7.2
99.08099	22.5
105.04482	1.7
105.07039	39.4
107.04935	6.1
107.08602	48.0
109.02859	1.5
109.06535	17.5
109.10160	61.0
111.04449	2.5
111.08084	27.0
113.05994	2.6
113.09628	3.6
115.07575	9.2
116.00199	2.6
117.06992	2.9
119.04864	2.0
119.08585	58.3
121.06485	3.3
121.10149	39.5
123.04420	4.3
123.08073	28.3
123.11715	81.8
125.09605	9.2
126.51353	1.5
127.07533	5.5
129.07013	8.7
131.08574	11.6
133.06487	4.8
133.10139	57.7
135.08067	2.5
135.11696	78.9
136.38307	1.5
137.05994	4.5
137.09619	43.7
137.13245	8.6
138.10396	2.8
139.11168	3.3
141.09145	3.1
141.12732	5.2
142.07779	2.3
147.08022	4.6
147.11707	25.9
149.09604	7.2
149.13292	16.2
151.03937	3.7
151.07503	3.6
151.11177	8.0
151.14809	5.4
153.12758	14.8
155.08533	2.7
155.10634	11.1
157.10143	14.0
163.11171	2.3
165.12764	11.6
165.16331	2.4
167.07100	10.5
167.10655	6.6
167.14278	5.2
169.10065	5.7
170.12691	1.7
175.11205	16.2
175.14836	62.0
181.10127	2.5
183.11653	1.8
193.08597	3.4
193.12254	40.4
193.15909	30.0
196.12399	2.3
211.07669	2.8
211.11281	3.0
211.13242	23.3
211.14983	7.5
211.16913	100.0
229.43727	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03942	2.1
55.01873	2.9
55.05519	27.9
57.03438	5.7
57.07085	15.2
59.05005	6.7
66.79536	1.6
67.05512	43.4
69.03442	8.7
69.07073	36.4
70.24380	1.7
70.66600	3.3
70.66933	2.0
71.05001	16.7
71.08630	2.6
72.08155	1.8
75.80110	1.4
79.05493	17.6
81.03440	3.5
81.07066	62.4
83.04984	18.1
83.08630	12.0
85.02929	9.9
85.06553	18.2
91.05482	15.0
93.07057	49.3
95.04975	11.5
95.08617	100.0
97.06532	9.7
97.10181	6.5
99.04461	4.5
99.08114	4.5
105.07034	20.4
107.08611	54.8
109.06520	17.2
109.10168	58.0
111.08093	11.8
111.11758	2.6
113.06023	4.7
117.06995	2.0
119.08589	78.5
121.10147	16.3
121.49157	2.0
123.08092	11.9
123.11719	37.5
125.09641	8.8
127.07610	2.1
131.08646	2.6
133.10152	31.4
135.11707	83.1
137.09624	24.9
139.11201	3.4
147.11708	11.7
149.13260	14.3
151.11165	4.7
151.14853	11.2
153.12755	7.4
155.10719	8.1
163.14830	3.5
165.16420	6.3
167.07085	1.8
175.14847	50.0
179.06949	2.0
193.15903	30.2
200.62431	1.9
211.16959	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
52.09554	1.2
53.03940	1.4
55.05508	14.4
55.90294	1.1
56.12831	1.1
56.49527	1.1
57.07074	3.0
59.04998	3.5
60.04517	1.1
67.05183	1.4
67.05513	19.6
69.07058	3.4
70.46240	3.2
70.46603	1.7
71.01348	1.0
71.04995	7.4
79.05487	3.5
81.07066	11.0
81.32705	1.1
83.04984	5.2
83.08627	11.4
85.06557	3.9
91.05502	2.4
93.07047	10.1
93.46294	1.2
95.04974	100.0
95.08612	23.2
97.06527	3.7
99.04452	8.6
99.08099	75.6
101.06020	2.3
105.07038	3.3
107.08598	10.8
109.06522	2.9
109.10165	42.7
111.08071	3.7
113.05998	1.7
119.08602	7.1
121.10140	5.3
123.08075	2.3
123.11705	4.1
125.09633	1.5
133.10146	6.2
135.11710	15.1
137.09627	50.8
139.11209	2.1
149.13245	1.8
151.11203	2.7
151.14835	1.8
153.12773	1.8
155.10680	39.8
165.16418	2.7
175.14862	7.7
186.46791	0.9
193.15892	18.0
211.16946	56.6
213.85170	1.2
224.22736	1.1
228.62837	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.2
55.05234	1.3
55.05509	19.9
57.03429	2.0
57.07074	5.2
59.04979	4.1
67.05508	18.2
68.78440	0.9
69.03418	2.9
69.07069	12.4
70.78484	2.1
71.01317	1.7
71.04997	11.2
71.56894	1.0
79.05479	5.4
81.03399	2.3
81.07060	18.1
83.04999	4.9
83.08617	25.9
85.06551	7.5
87.04470	1.9
91.05489	6.6
93.07052	16.3
95.04971	86.9
95.08614	35.2
97.06511	5.7
99.04450	8.5
99.08096	100.0
101.06012	1.4
105.07028	8.4
107.08594	22.8
109.06527	5.1
109.10155	44.1
111.08083	8.2
111.11743	1.4
113.06020	2.9
113.09642	3.2
119.08585	15.7
121.10122	6.1
123.08075	4.7
123.11721	6.7
125.09621	2.1
127.07552	1.9
127.11182	4.0
129.95135	1.1
133.09167	1.0
133.10130	15.1
135.11694	36.6
137.09621	43.2
139.11243	1.4
147.11662	3.1
149.13268	3.1
151.07579	1.3
151.11136	2.7
151.14841	2.5
151.88095	1.3
153.12764	12.0
155.10670	45.8
165.12790	1.2
165.16428	1.3
175.14845	17.4
193.12207	2.4
193.15912	18.2
211.16936	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	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03947	3.2
55.01860	2.5
55.05512	21.6
56.06610	1.4
57.03434	8.3
57.07076	3.8
59.04996	3.2
67.05510	37.9
69.03416	4.7
69.07074	18.0
69.91385	8.0
71.04984	6.9
79.05479	13.8
81.03419	15.8
81.07063	36.9
83.04989	18.4
83.08628	16.3
85.06571	8.7
91.05490	13.4
93.07056	22.0
95.04984	14.7
95.08616	65.5
97.06545	8.6
97.10166	4.7
98.21486	3.4
99.04462	1.6
99.08097	9.6
104.10754	1.8
105.07036	15.5
107.08596	32.4
109.06549	11.2
109.10161	100.0
111.07365	2.8
111.08089	36.7
113.09651	2.3
115.07569	4.9
119.08586	45.1
121.10144	26.5
123.08083	36.8
123.11718	16.8
125.09617	6.6
127.11237	2.6
131.08577	2.7
133.10141	41.0
135.10687	3.4
135.11697	52.7
137.09622	99.8
137.13229	5.6
138.10374	8.7
139.11143	6.3
145.10065	2.4
147.07999	1.8
147.11678	13.8
149.09663	2.9
149.13245	11.5
151.11188	6.3
151.14781	9.5
155.10669	2.2
157.10191	3.0
163.11197	1.8
165.12854	12.3
165.16411	3.8
167.07068	2.3
167.10684	2.9
173.21881	1.6
175.11279	3.1
175.14832	57.3
193.12350	9.1
193.15894	48.6
211.13306	5.5
211.16942	35.5
211.18689	1.4
227.56847	1.9
229.21959	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	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
55.05513	11.0
56.81041	0.9
57.03430	3.7
57.07067	2.3
59.04993	2.3
67.05183	1.4
67.05512	20.4
69.03432	1.1
69.07072	13.4
69.55136	1.5
69.55534	6.2
71.04997	11.4
75.12840	1.0
78.20035	1.0
79.05495	8.5
81.03419	2.7
81.06591	1.6
81.07063	27.1
83.04968	3.4
83.08627	10.0
85.06554	4.6
91.05486	5.0
92.53225	1.0
93.07050	17.7
95.04958	4.5
95.08614	100.0
97.06550	6.8
97.10150	3.4
99.04453	3.5
99.08083	3.2
104.06175	1.1
105.07020	7.5
107.08598	19.6
109.06497	3.1
109.10166	32.7
111.08085	2.5
113.09679	1.4
115.07580	9.2
117.35725	1.0
119.08589	12.8
121.10155	10.6
123.08047	3.8
123.11715	18.8
125.09628	3.0
131.08574	1.2
133.10141	17.1
135.11703	27.8
137.09630	8.7
137.13254	2.6
139.11212	6.5
147.11673	2.9
149.13310	5.8
149.14340	1.2
151.11172	3.0
151.14781	2.4
153.12721	2.9
155.10690	1.4
157.10278	1.0
163.14836	15.5
165.16447	2.7
167.07039	1.6
171.48679	1.0
175.14850	26.4
181.15855	3.3
193.12227	1.2
193.15886	22.5
211.16934	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	211.1331
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.85746	1.4
53.03933	5.5
54.06437	1.2
55.01878	8.0
55.05513	41.7
56.96561	5.6
57.03438	14.7
57.07058	2.3
67.05511	32.6
69.03418	8.1
69.07070	15.3
69.97705	4.6
71.04989	5.9
79.05044	1.4
79.05496	40.0
79.05959	2.0
81.03423	100.0
81.07062	47.0
83.04987	50.5
83.08627	34.5
85.02907	2.4
85.06539	4.0
91.05484	38.2
93.03313	1.6
93.07050	21.9
95.04977	34.7
95.08618	18.9
97.02905	3.3
97.06524	9.8
97.10175	7.4
99.08092	5.8
101.06028	1.4
105.07034	26.6
107.04964	7.0
107.08604	14.6
109.06514	8.4
109.10173	7.2
111.04431	1.6
111.08085	15.8
113.06008	2.7
115.05440	2.2
117.07005	1.6
119.08591	25.0
121.06511	2.9
121.10160	15.5
123.08078	6.6
123.11704	6.0
125.06008	2.9
125.09633	4.8
129.07025	10.9
131.08595	11.9
133.06441	4.5
133.10155	14.6
135.11716	4.6
137.09647	6.4
137.13264	2.0
142.07745	4.0
145.10107	2.1
146.49449	1.4
147.08035	4.6
147.11699	22.6
149.09598	11.1
151.07579	1.7
151.11143	3.2
157.10141	19.1
165.12779	6.9
167.10695	4.5
175.11194	22.3
193.12263	60.3
211.11357	1.3
211.13271	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	211.1329
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
51.65299	0.9
53.03933	2.1
55.01637	1.6
55.01878	19.2
55.05265	1.4
55.05513	16.8
57.03426	3.8
57.07076	1.9
59.04984	1.2
65.03941	1.7
66.17512	0.8
67.05511	39.7
69.03418	2.2
69.06724	1.5
69.07070	21.3
70.15784	3.8
71.05006	6.3
73.80019	0.9
79.05061	1.5
79.05497	20.3
81.03424	2.1
81.07063	100.0
83.04982	8.6
83.08625	10.0
85.06547	6.2
87.04470	1.1
91.05489	34.1
93.07050	15.1
95.04980	5.7
95.08617	22.1
97.06527	8.7
98.20844	1.2
99.08095	3.6
101.05988	1.7
105.07037	42.2
107.04986	1.0
107.08601	11.2
109.06544	9.4
109.10154	2.8
111.08089	1.3
113.06009	2.7
117.06987	1.3
119.08591	32.2
121.09325	1.6
121.10151	23.3
123.08092	4.6
123.11712	29.7
123.53144	0.9
125.06020	1.4
125.22692	0.8
127.07565	2.1
129.06985	3.3
131.08575	3.8
133.10141	15.8
135.11681	0.9
137.09595	1.2
137.13226	2.4
142.07750	1.2
145.10078	1.2
146.98462	0.8
147.11694	64.1
149.09615	2.0
151.11154	1.1
157.10115	7.1
165.12772	14.1
168.98521	1.2
175.11215	8.6
193.12282	9.5
193.15984	0.8
211.13280	6.1
229.14284	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
52.01093	1.2
53.03941	4.7
55.01884	5.5
55.05515	34.8
57.03434	10.1
59.04977	1.3
67.05509	27.0
69.03431	8.3
69.07067	10.0
70.04676	4.7
71.05003	4.6
79.05493	29.8
81.03422	100.0
81.07059	35.2
83.04485	2.4
83.04984	48.2
83.08620	36.9
85.06534	3.3
87.04440	1.3
91.05489	33.3
93.07053	18.6
95.04971	36.3
95.08612	12.1
96.63967	1.0
97.02888	4.3
97.06515	4.1
97.10179	8.6
99.08084	3.9
105.07034	25.1
107.04917	5.3
107.08603	8.1
109.06547	6.6
109.10115	2.7
111.04474	2.6
111.08099	16.9
115.05440	1.7
117.07005	1.6
119.07787	2.2
119.08592	20.9
121.10160	7.7
121.10912	1.2
122.54404	1.1
123.08074	4.0
125.09632	2.1
129.07027	11.6
131.08580	13.3
133.06512	4.3
133.10158	11.0
137.09676	1.3
142.07813	2.9
145.10176	2.1
146.79369	1.1
147.08078	3.4
147.11690	12.1
149.09615	7.2
157.10152	18.3
163.99660	1.1
165.12753	3.5
167.10678	1.5
175.11189	17.3
193.12256	48.6
211.13321	25.8
211.16696	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	(plusmn)7-epi Jasmonic Acid
Peak:m/z	Relative Intensity
53.03926	0.8
55.01878	1.5
55.05510	7.2
57.03436	2.4
57.07080	3.2
59.05008	1.2
65.03958	0.7
67.05173	1.3
67.05508	17.6
69.03420	1.6
69.07069	19.0
70.37940	0.8
70.38287	2.4
71.05000	11.9
72.08173	1.9
79.05498	10.2
81.03424	3.0
81.07059	21.3
83.04986	7.3
83.08627	2.9
85.06541	7.9
91.05480	25.2
93.06477	1.5
93.07047	22.3
95.04973	38.0
95.08610	8.8
97.06511	1.9
97.10185	0.7
98.09879	0.7
99.04460	3.0
99.08097	13.9
103.79060	0.7
105.07034	26.1
107.04970	1.6
107.08601	11.7
109.06523	22.9
109.10153	16.0
109.25131	0.7
111.08103	1.7
113.06001	2.9
119.08590	10.4
121.10150	3.5
123.04439	0.7
123.08075	2.2
123.11720	5.2
125.06012	1.5
127.07567	3.3
129.06998	1.1
131.08580	8.9
133.10135	100.0
135.08026	0.7
135.11694	3.1
137.05984	7.8
137.09630	13.0
139.07558	0.7
141.05463	1.2
147.11696	21.6
149.09624	2.8
149.13254	1.2
151.07567	3.3
151.11191	65.4
155.07028	18.6
155.10646	9.1
157.10133	1.8
165.12758	5.6
169.08609	1.3
175.11192	11.9
175.14786	1.5
193.12256	33.6
193.15868	6.0
211.13295	25.3
211.16924	9.1
218.80957	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03944	1.3
55.01877	9.6
55.05518	13.4
56.96566	3.9
57.03442	6.1
57.07071	1.4
59.05002	1.7
63.47277	0.6
64.49676	0.5
65.03940	2.0
67.05508	80.3
69.03436	6.4
69.07076	11.8
71.05000	3.9
71.53767	0.9
73.06557	1.8
79.05500	20.9
79.05965	1.0
81.03432	4.9
81.07063	63.0
83.04491	0.9
83.04988	19.2
83.08607	3.2
84.96028	0.7
85.06550	11.6
91.05486	57.0
93.07050	24.7
95.04974	7.6
95.08611	7.8
97.02907	1.2
97.06543	4.7
97.99176	2.3
98.98486	1.0
98.99118	0.6
99.08098	3.8
101.06039	0.8
105.07041	55.4
107.04958	1.3
107.08603	43.2
109.06512	8.0
109.10163	72.1
111.08080	1.1
115.07623	1.1
117.07016	4.0
119.08587	13.9
119.09375	1.2
121.10146	1.6
123.08111	1.5
123.11712	16.0
127.07566	2.1
128.06204	1.2
131.08582	4.1
133.10139	100.0
135.08009	0.7
135.11699	1.9
137.06026	0.6
137.09605	1.7
139.01840	0.6
141.06966	0.7
141.09096	1.3
143.08583	2.2
149.09741	0.6
151.11195	41.3
155.10605	0.7
157.10098	0.8
161.09630	8.1
162.09940	0.6
169.10072	1.4
175.11256	0.9
179.10686	20.7
183.13800	1.2
193.12230	0.9
202.12503	0.6
211.11240	0.9
211.13077	1.4
211.14796	2.5
211.16695	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03946	4.0
55.01874	6.2
55.05511	41.3
56.96570	25.5
57.03444	10.1
57.07059	3.3
59.05003	2.0
62.01841	1.0
63.65716	1.1
65.03950	1.2
67.05508	37.0
69.03437	10.8
69.07075	15.0
69.80612	2.3
69.81001	3.5
69.84339	1.1
71.04993	6.8
79.05064	2.1
79.05495	32.5
81.03419	100.0
81.06586	2.0
81.07059	43.7
83.04984	49.9
83.08147	2.3
83.08621	36.9
84.96008	4.4
85.02903	2.0
85.06533	4.1
87.04471	1.4
91.05485	38.1
93.07049	20.7
95.04976	41.3
95.08609	20.4
97.02880	5.2
97.06536	6.5
97.10184	8.1
97.99191	11.9
98.21481	2.1
99.04490	1.3
99.08119	6.5
105.07028	26.0
107.04939	7.5
107.08588	12.1
108.38492	1.2
109.02832	1.3
109.06516	9.8
109.10162	12.3
110.28959	1.1
111.04428	4.1
111.08073	13.6
113.05996	1.2
116.00223	5.2
117.07027	4.0
119.04910	1.4
119.08588	22.0
121.06506	1.8
121.10113	10.4
123.04479	1.4
123.08082	5.6
123.11700	3.6
125.05981	1.9
125.09594	1.5
127.07574	1.2
128.06218	1.1
129.07007	13.3
131.08571	14.0
133.06503	2.8
133.10117	17.5
135.08064	2.5
135.11674	6.3
137.09636	5.5
137.13200	1.3
142.07761	4.6
147.08054	4.6
147.11697	18.6
149.09616	8.7
151.07536	1.6
151.11177	4.1
155.10707	2.0
157.10135	17.8
163.11053	1.2
165.12744	3.7
169.10074	1.9
175.11188	20.8
175.14897	1.8
177.78226	1.3
193.10461	2.6
193.12244	53.8
196.12282	1.4
207.32867	1.1
211.07582	1.9
211.11285	1.4
211.13229	31.2
229.72809	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03947	4.6
55.01875	11.3
55.05516	39.6
56.96333	2.6
56.96572	30.1
57.03446	12.4
57.07068	5.2
59.86081	2.2
65.03933	5.9
67.05508	81.5
69.03423	9.4
69.07072	23.7
70.37270	5.5
70.37627	3.8
71.04998	16.6
73.02898	2.1
77.88135	2.1
79.05497	81.4
81.03427	37.7
81.06590	4.7
81.07064	88.1
83.04990	44.9
83.08620	25.7
84.96033	5.2
85.02903	5.4
85.06555	8.4
87.04487	10.4
91.05487	94.7
93.07053	55.9
95.04978	100.0
95.08054	3.8
95.08615	45.5
97.02885	5.5
97.06532	17.8
97.10145	6.1
97.99181	16.3
99.04475	7.2
99.08090	12.0
100.52697	2.1
101.02396	6.0
105.07037	65.4
107.04967	20.3
107.08603	51.2
109.06519	31.8
109.10168	19.5
111.04437	16.5
111.08138	10.3
113.05991	8.2
115.05559	2.7
117.06998	9.8
119.08593	44.7
121.06527	4.6
121.10133	21.0
123.08087	7.3
123.11752	14.4
125.06029	2.8
125.09645	10.4
129.07005	24.9
131.08592	21.5
133.06496	9.4
133.07458	2.4
133.10147	44.7
135.08055	34.5
135.11699	15.4
137.05986	3.2
137.09613	10.4
142.07776	6.6
145.10138	3.3
146.07228	2.6
146.20206	2.2
147.08012	6.8
147.11690	39.0
149.09618	20.7
151.07617	3.4
151.11214	31.7
153.09113	2.3
155.10742	4.3
157.10150	24.6
165.12796	21.3
167.07268	2.4
167.10565	2.4
169.10040	3.0
175.11205	37.6
175.14873	4.5
193.12257	49.8
193.15903	3.6
199.76543	2.3
211.11258	3.9
211.13213	26.8
211.14926	4.7
211.16974	5.6
217.29521	2.2
225.84424	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	209.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	49.2
57.07084	29.6
59.04969	3.8
59.51537	3.3
67.05490	3.8
67.09013	3.7
69.07076	100.0
71.08634	17.4
81.07066	6.9
81.34822	2.9
83.08628	43.5
85.10203	5.9
93.07034	4.5
95.08607	7.8
97.10172	39.7
109.10225	3.2
111.04421	3.7
111.11739	16.6
125.13271	3.2
149.13197	3.5
173.94737	3.1
209.11682	6.0
209.15417	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	211.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99752	2.1
59.50370	2.6
64.31064	2.2
70.79608	5.1
70.79953	2.5
73.60882	1.9
78.10485	2.2
84.04543	2.0
111.03246	13.4
138.97922	9.5
193.03777	100.0
211.04828	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	211.133
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03936	7.0
55.01881	19.8
55.05515	46.1
56.96552	8.6
56.99105	1.8
57.03440	12.1
57.07065	4.5
65.03922	5.6
67.05511	77.5
69.03435	23.8
69.07075	24.8
70.58521	5.3
71.01347	7.1
71.05001	15.2
72.08141	4.8
73.02914	2.0
77.67181	1.8
79.05497	59.7
81.03422	64.3
81.07063	74.2
83.01336	5.7
83.04990	44.7
83.08621	27.3
85.02894	4.6
85.06557	9.8
87.04475	4.1
91.05489	70.2
93.03413	4.2
93.07048	44.5
95.04976	100.0
95.08610	48.5
97.02862	3.9
97.06548	17.6
97.10150	7.4
97.99190	4.4
99.04446	5.3
99.08118	12.1
101.02400	4.7
105.07036	54.7
107.04948	16.4
107.08604	35.9
109.02884	6.5
109.06512	23.2
109.10161	22.5
111.04449	9.9
111.08067	11.6
113.02392	3.0
113.05999	6.4
115.05383	2.4
117.01865	3.0
117.07014	5.8
119.04899	2.9
119.08582	41.8
121.06509	6.4
121.10176	15.0
123.04451	25.2
123.08085	15.1
123.11697	13.0
125.02324	7.0
125.09655	10.4
127.03913	2.1
128.31952	1.9
129.07014	20.2
131.08559	22.2
133.02856	2.7
133.06477	6.9
133.10143	38.9
133.78984	2.0
135.08055	19.7
135.11694	13.6
137.05946	6.7
137.09633	12.4
137.13251	2.5
139.03871	3.9
139.11139	2.5
142.07742	6.8
143.03387	2.8
145.10133	3.1
147.08060	9.9
147.11707	34.5
149.05998	2.1
149.09596	15.5
149.13239	2.3
151.03917	48.3
151.07521	5.4
151.11171	18.8
153.07019	2.1
155.03438	3.4
155.08466	2.4
155.10608	2.4
157.10153	19.4
165.09085	6.4
165.12764	16.6
167.07069	11.5
167.08348	2.1
167.10683	3.3
169.04971	22.2
169.10092	2.6
175.11182	33.1
175.14827	8.1
179.07091	2.3
193.08612	20.6
193.12248	56.4
193.15924	5.6
211.07632	5.2
211.09644	72.7
211.13109	28.1
211.14905	4.9
211.16965	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	209.1538
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03939	3.0
55.01865	5.8
55.05516	81.7
57.03439	3.5
57.07068	3.3
59.05004	4.9
67.05506	12.6
69.03434	10.0
69.07056	8.4
69.16533	21.6
69.16875	2.7
71.05006	5.0
79.05489	11.3
81.07063	20.7
83.04986	87.2
83.08625	48.3
85.06540	6.8
89.06011	1.7
91.05492	10.1
93.03388	2.7
93.07058	17.6
95.04973	16.3
95.08612	12.3
97.06538	11.4
97.10179	11.1
103.05476	3.1
105.07031	8.4
106.04155	7.9
107.04968	4.1
107.08610	27.3
109.06538	17.6
109.09461	3.0
109.10172	33.6
111.04480	2.9
111.08097	13.1
113.09595	2.2
119.08544	4.0
121.06540	9.1
121.10159	17.1
123.08118	2.8
123.11700	19.4
124.60123	2.1
125.06023	4.4
125.09622	18.8
131.04907	3.3
131.08553	2.6
133.09238	1.8
133.10114	12.5
135.08047	5.7
135.11678	4.0
138.42346	1.9
139.11118	2.1
143.42749	2.1
145.10123	3.8
147.11699	2.7
149.06012	5.7
149.09637	3.2
149.13254	11.2
151.11201	70.1
153.09111	8.3
163.07536	2.9
163.11154	4.2
163.14816	5.3
165.12715	2.6
167.14331	100.0
173.13293	8.8
177.05473	7.1
181.08513	3.5
191.14365	15.7
194.09328	2.4
209.08107	8.5
209.11897	3.4
209.15378	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03937	1.7
55.01854	3.2
55.05508	8.9
57.03427	4.4
57.07067	2.8
59.04987	4.0
62.50102	1.0
63.89292	1.0
65.03925	1.6
67.05163	1.3
67.05508	9.8
68.91387	0.9
69.03444	5.9
69.06796	0.8
69.07072	9.6
71.05025	5.6
79.05491	13.1
81.03412	2.2
81.07063	33.6
83.01308	1.5
83.04978	8.5
83.08653	5.3
85.02905	1.8
85.06553	6.9
91.05476	11.1
93.03421	2.4
93.07054	21.4
95.04980	32.0
95.08611	15.9
95.71723	1.1
97.05923	2.0
97.06533	33.7
99.04443	6.5
99.08091	3.5
103.05515	1.4
105.07033	17.0
106.04149	3.1
107.04945	3.0
107.08602	31.6
109.06524	100.0
109.09464	1.7
109.10163	25.6
111.08092	7.0
113.05997	1.5
113.09643	2.0
115.07623	1.2
117.06975	2.1
119.08549	4.3
121.06509	10.1
121.09322	2.2
121.10147	27.2
123.08057	11.1
123.11729	6.3
125.06065	2.3
125.09617	4.5
131.04915	1.8
131.08588	14.9
133.10138	42.1
135.08075	16.9
135.11676	4.0
139.07558	1.5
139.11180	2.6
143.08543	2.0
145.10123	6.1
147.11665	5.6
149.05989	8.7
149.09627	9.5
149.13258	9.0
151.11188	22.2
153.09117	28.0
158.10899	3.9
163.11192	2.7
163.14827	8.7
165.12730	1.6
167.14288	1.9
173.13289	22.9
177.05464	4.1
182.53436	1.0
191.07053	2.4
191.14316	28.4
209.07983	2.0
209.15363	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03951	0.8
53.66113	0.4
55.01875	1.6
55.05513	3.1
57.03438	1.1
57.07073	1.0
58.47945	0.4
59.05001	0.4
65.03950	0.8
67.05510	4.1
69.03436	2.2
69.07059	4.9
69.07362	0.5
69.44237	3.1
71.04995	11.1
71.05370	0.8
77.03966	0.4
79.05495	11.7
81.07063	5.1
83.04984	3.8
83.08620	1.6
85.02901	0.4
85.06544	2.4
91.05485	6.4
93.06470	0.9
93.07047	13.8
95.04973	100.0
95.08605	2.1
97.06527	3.7
99.04462	20.3
99.08095	1.7
103.05453	0.8
105.07040	9.0
106.04217	0.7
106.07391	0.4
107.04966	4.2
107.08598	18.6
109.06525	5.4
109.10176	3.3
111.04417	1.1
111.08083	1.6
115.07568	0.5
117.07013	1.5
119.06153	0.4
119.08588	3.8
121.06506	10.8
121.10148	10.5
121.11027	0.5
123.08054	1.2
123.11725	1.2
125.06005	2.1
125.09609	1.9
129.07021	0.9
130.07771	0.9
131.08575	27.8
133.10135	11.7
135.04416	0.6
135.08067	3.0
135.11697	2.7
139.07584	0.8
139.11159	1.5
141.05470	1.0
143.08653	0.6
145.10133	11.6
147.08057	1.4
147.11711	1.6
149.05981	1.4
149.09624	21.8
149.13277	2.6
151.07547	0.6
151.11186	4.8
153.05479	3.3
153.09108	28.3
158.10942	0.7
163.11177	7.3
163.14836	0.8
165.09055	0.7
167.07036	1.6
167.10722	0.9
167.14319	1.3
173.09634	1.5
173.13252	5.6
177.05475	0.4
189.78830	0.4
191.10680	9.0
191.14308	7.9
203.47861	0.4
209.08046	0.9
209.11765	16.0
209.15353	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.51149	0.4
53.03937	0.6
54.33840	0.4
55.01869	2.0
55.05507	1.9
57.03427	0.4
57.06876	0.4
57.07080	4.1
59.04979	0.6
62.22427	0.5
65.03931	0.8
67.05513	4.0
69.03423	1.4
69.07079	2.3
69.40619	3.4
71.05008	3.0
75.04462	0.5
79.05499	4.4
81.03434	0.5
81.07065	5.1
83.04980	1.3
83.08624	1.5
85.02915	0.8
85.06543	1.0
89.03876	0.4
91.05487	4.8
93.03395	1.5
93.07055	5.7
95.04967	4.7
95.08617	5.5
96.35833	0.5
97.06528	1.9
99.04475	0.8
99.08117	0.5
103.05474	1.7
105.07030	4.0
106.04169	3.2
107.04961	0.8
107.08609	6.8
109.06522	100.0
109.10164	12.8
111.08086	1.9
117.07033	1.4
119.06186	0.4
119.08601	1.4
121.06512	5.3
121.10152	4.0
123.08076	9.2
125.05989	1.2
125.09618	1.1
131.04965	0.8
131.08582	5.7
133.10144	3.0
134.03630	0.8
135.08063	24.7
135.11707	1.1
137.06013	0.9
139.07637	0.6
139.11195	0.7
143.08556	0.7
145.02863	0.6
145.10124	2.4
147.08057	1.0
147.11719	1.1
148.05267	0.5
149.05986	5.2
149.09616	3.3
149.13268	1.8
150.10432	1.3
151.11192	1.6
153.05496	0.6
153.09129	5.2
157.05937	0.4
157.10219	0.5
158.10876	1.2
163.11179	1.0
163.14890	1.2
165.12781	1.1
173.13280	7.1
176.12001	0.6
177.05519	2.9
181.08635	1.0
191.07098	0.4
191.14317	24.9
209.08009	2.1
209.11510	0.5
209.15366	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.29860	2.5
53.03951	3.0
55.01875	5.0
55.05510	29.1
55.77302	2.7
57.03421	7.6
57.07063	6.0
59.04998	3.5
60.30146	2.6
67.05509	21.4
69.03436	17.7
69.07078	22.9
70.57899	6.6
71.04977	12.6
78.99051	2.8
79.05499	22.5
81.03405	2.9
81.07059	30.2
83.04984	57.2
83.08601	12.7
85.02888	2.8
85.06517	6.9
87.04468	4.4
87.40891	2.8
90.77176	2.7
91.05480	16.9
93.06574	3.0
93.07049	38.0
95.04371	5.1
95.04967	88.7
95.08608	31.2
95.09895	2.7
97.06539	17.7
97.10151	12.5
99.04461	19.8
99.08107	15.2
105.07015	18.9
106.04140	5.7
107.04947	3.0
107.08591	50.3
109.06519	65.3
109.09566	3.4
109.10162	32.7
111.08073	11.6
119.08568	10.8
120.08099	6.8
121.06478	9.8
121.10148	54.0
123.08053	23.6
123.11736	14.4
125.05976	6.3
125.09645	61.8
127.07543	7.1
131.08563	19.2
133.10124	31.9
135.08044	20.7
135.11676	12.2
137.09601	11.0
139.07556	3.6
139.11171	3.2
145.10123	10.9
147.11668	9.3
149.06000	5.9
149.08408	4.5
149.09616	84.8
149.13258	23.1
151.11191	48.3
153.05469	6.8
153.09109	49.6
154.09904	3.4
158.10884	9.0
163.14815	21.0
165.12746	6.5
167.07043	6.4
167.10733	4.3
167.14339	16.9
173.13280	27.0
177.05447	4.4
191.10693	4.1
191.14296	49.7
209.07993	7.2
209.11736	5.6
209.15364	100.0
213.43166	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
54.35844	1.5
55.01866	3.8
55.05513	52.4
57.03417	2.1
57.07067	6.0
59.04987	4.5
67.05511	14.7
68.99774	2.4
69.03427	15.3
69.07068	17.5
69.67944	6.7
69.68356	3.4
71.04988	8.7
78.05029	1.5
79.05497	15.3
81.07050	21.4
83.04983	48.7
83.08624	28.4
85.02892	2.8
85.06538	6.7
91.05487	10.7
92.76917	1.6
93.07051	36.3
95.04971	42.4
95.08612	24.7
97.06525	15.6
97.10169	13.3
99.04474	9.0
99.08102	24.2
99.28925	1.5
103.05480	2.2
105.07026	16.0
105.65952	1.6
106.04205	1.6
107.04947	4.7
107.08598	52.7
109.06527	18.5
109.10161	23.9
111.04462	3.6
111.08101	12.6
113.06009	4.6
113.09630	2.7
117.07018	2.2
119.08553	7.8
120.08064	2.1
121.06520	10.4
121.10146	39.6
123.08073	8.7
123.11709	6.7
125.06002	8.4
125.09634	50.1
128.48373	1.5
131.08578	20.1
133.04388	1.6
133.10135	24.8
135.08072	13.6
135.11691	6.7
137.09612	6.0
139.07561	5.8
139.11189	6.2
145.10143	7.2
147.11662	6.3
149.05957	3.8
149.09625	100.0
149.13254	21.8
151.11180	49.2
153.09102	28.9
154.09906	2.2
163.11197	4.7
163.14816	16.6
165.12814	2.7
167.14322	41.6
168.15161	2.0
173.13292	15.7
176.42097	1.5
191.10602	2.7
191.14299	33.0
209.08151	2.9
209.11858	4.8
209.15372	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	209.1173
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
53.03944	0.7
55.01868	1.7
55.05516	2.7
55.14291	0.6
57.03440	1.3
57.07064	0.7
59.04993	0.6
59.90252	0.7
60.91713	0.5
65.03938	0.8
67.05513	5.0
69.03427	1.4
69.07076	4.8
70.85158	0.9
71.04999	13.1
77.03917	0.7
78.30959	0.7
79.05066	1.0
79.05500	13.9
81.03453	0.5
81.07065	4.7
83.04988	2.9
85.06556	2.1
91.05487	8.5
93.07047	16.1
95.04975	100.0
95.08627	1.8
97.06547	4.9
99.04458	21.3
99.08103	1.6
100.10555	0.6
103.05467	1.2
105.07036	9.9
105.07682	0.8
106.56454	0.5
107.04960	4.4
107.08602	21.1
109.06540	4.9
109.10151	3.3
111.04439	1.1
111.08105	1.3
116.06186	0.6
117.07043	2.0
119.08570	3.2
121.06521	10.8
121.10149	12.4
123.04453	0.5
123.08093	1.2
125.06004	1.5
125.09651	1.2
129.07027	1.2
130.07806	0.8
131.08577	34.9
133.10143	12.3
135.04422	0.7
135.08022	3.1
135.11717	2.1
139.07498	0.7
139.11189	2.2
141.05487	0.7
143.08614	0.9
145.10130	12.0
147.08063	1.1
147.11711	1.6
149.05988	2.1
149.09631	26.2
149.13281	2.8
151.07518	0.7
151.11191	3.4
153.05505	4.1
153.09116	26.8
163.11200	9.3
163.14844	1.2
165.09193	0.8
167.06934	0.8
167.10744	0.9
173.09778	1.5
173.13258	5.0
191.10683	11.7
191.12444	0.9
191.12775	0.9
191.14278	6.2
209.08386	0.9
209.11772	22.2
209.15363	18.6
221.11432	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
51.02375	2.3
53.03714	1.3
53.03948	22.5
55.01873	26.4
55.05515	13.5
56.96562	1.3
57.03445	8.9
57.07079	6.5
59.04991	2.3
65.03943	12.0
67.05508	56.7
69.03432	8.0
69.07069	14.6
70.07286	4.8
70.11413	1.0
71.01336	2.2
71.04999	19.8
71.35448	1.0
75.04463	5.1
75.51828	1.2
77.03921	2.9
78.04725	6.9
78.29216	1.0
79.05492	45.0
81.03423	51.1
81.07062	49.5
82.63451	1.2
82.94839	1.8
83.04503	1.3
83.04987	27.8
83.08628	7.1
85.02899	6.1
85.06538	7.1
89.03898	3.4
89.06036	3.1
91.05484	54.4
93.03408	19.4
93.07047	56.3
93.07636	2.7
95.04974	100.0
95.08061	2.1
95.08614	27.5
97.02880	5.2
97.06532	17.6
97.10160	2.0
98.97568	1.2
99.04449	18.5
99.08070	4.0
103.05470	18.8
105.03363	3.0
105.04504	3.2
105.07041	17.3
106.04182	52.4
107.04314	2.0
107.04971	27.1
107.08600	37.8
109.05795	2.2
109.06520	38.7
109.10162	20.8
111.04455	13.6
111.08088	39.4
113.05978	1.8
115.05458	2.3
117.03393	2.8
117.06335	1.4
117.07032	15.4
119.04927	4.1
119.08588	15.4
121.02878	1.3
121.06514	60.0
121.10143	36.7
122.07330	1.7
123.04430	4.0
123.07205	1.3
123.08080	18.0
123.11692	3.6
123.97430	2.5
125.05995	16.1
125.09634	13.8
127.07539	1.5
128.06248	1.4
129.07008	5.2
130.07782	2.8
131.04929	10.0
131.08583	18.1
133.10149	17.4
134.03604	9.0
135.04462	4.0
135.08066	19.6
135.11696	21.2
137.05989	9.4
137.09644	6.2
138.06750	1.7
139.07533	5.5
139.11148	2.7
143.08543	1.6
145.02844	5.1
145.06470	8.2
145.10136	30.8
147.04366	1.8
147.08070	2.4
147.11737	10.3
148.05205	6.3
149.05989	68.3
149.09621	20.7
149.13278	11.0
151.03909	1.5
151.07478	1.8
151.11197	11.0
153.05446	4.3
153.07129	2.1
153.09114	37.6
153.12711	4.7
155.08554	11.3
158.10912	2.8
161.09651	1.2
163.07570	5.4
163.11185	25.5
163.14804	4.8
165.09081	3.0
165.12720	3.6
166.06203	2.6
167.07074	2.2
167.96410	1.9
173.09625	17.1
173.13290	14.7
177.05481	34.6
179.08397	1.3
181.08594	15.0
181.12242	3.2
191.06993	4.0
191.10672	12.4
191.14319	43.4
194.05759	1.6
209.04454	2.8
209.06282	2.3
209.08086	21.7
209.11696	17.3
209.15359	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	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03937	2.8
53.65476	0.9
55.01881	6.1
55.05511	10.7
57.03440	2.3
65.03938	1.6
65.30793	1.0
67.05173	1.4
67.05507	19.5
69.03423	4.7
69.06780	0.9
69.07076	10.6
69.93555	4.5
71.04995	19.4
79.05496	37.3
81.03429	1.1
81.07059	10.6
83.04980	15.2
83.08612	3.9
85.06529	3.8
87.04485	1.2
91.05486	23.0
93.06477	2.0
93.07050	33.9
95.04976	33.9
95.08615	2.5
97.06542	7.6
98.21413	1.7
99.04473	5.1
103.05469	2.9
105.07043	23.5
106.04156	1.8
107.04963	24.6
107.08601	47.6
109.06520	7.9
109.10178	4.7
111.04442	7.8
111.08098	1.7
116.06250	1.6
117.07031	7.6
119.08585	15.6
121.06519	24.3
121.10148	32.6
123.04419	3.6
123.08075	2.1
123.11708	2.3
125.05993	10.2
125.09643	3.8
129.07014	6.1
130.07822	2.3
131.08577	85.4
133.06488	1.8
133.10117	4.9
135.04440	1.7
135.08086	5.9
135.11662	7.5
137.06003	1.4
137.09604	1.9
139.07501	2.9
141.05504	1.2
145.06467	2.9
145.10132	40.7
147.08043	6.5
147.11665	2.1
149.06020	6.2
149.09627	100.0
149.13243	2.2
151.11203	5.7
153.05473	7.3
153.09106	8.1
155.07011	2.6
155.08441	1.4
163.07584	4.6
163.11194	33.4
163.14804	1.7
165.09125	19.1
167.07068	3.5
167.10672	14.9
167.14325	5.6
173.09628	8.9
173.13245	4.1
177.05463	1.8
191.10683	61.3
191.14322	6.2
209.11748	87.1
209.15187	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	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.35831	1.1
52.47641	1.0
52.51251	1.0
53.03942	2.4
55.01856	4.9
55.05513	5.6
57.03437	2.8
57.07068	1.9
60.04467	0.9
67.05501	7.9
69.03423	2.7
69.07082	17.9
70.61893	2.5
70.62248	1.3
71.04997	22.6
77.03912	2.0
79.05499	37.4
81.07060	10.4
82.15295	1.1
83.04971	8.6
83.08611	1.4
91.05486	22.1
91.35367	1.2
93.03395	1.4
93.07050	37.5
95.04976	31.6
95.08601	2.6
97.06537	7.1
99.04454	5.8
103.05476	2.7
105.04525	1.5
105.07034	24.9
107.04971	16.1
107.08603	54.1
109.06519	6.1
109.10155	2.3
111.04433	2.6
111.08093	1.4
113.28062	1.1
113.42658	1.2
115.05408	1.5
116.06261	2.0
117.07016	6.8
119.08583	7.8
119.23437	1.0
121.05658	2.1
121.06516	36.1
121.10149	31.6
121.11027	1.3
123.04431	1.3
123.08096	5.6
125.06010	6.9
125.09648	2.5
129.06999	3.9
130.07776	2.4
131.08580	100.0
133.06476	1.4
133.10121	4.7
135.04381	2.5
135.08064	3.5
135.11661	4.2
137.05942	2.1
139.07513	2.4
139.11171	1.2
141.05511	3.1
145.10139	35.4
147.08055	3.5
147.11693	4.0
149.06013	6.7
149.09628	77.7
151.07527	2.3
151.11182	2.3
152.04729	1.4
153.05472	11.6
153.09096	10.4
155.07028	1.4
163.11198	27.5
163.14761	1.0
165.09122	3.2
167.07047	11.1
167.10681	2.5
173.09616	3.0
173.13319	2.5
177.05476	2.5
191.10689	36.1
191.14311	3.8
192.45174	1.1
209.08424	2.3
209.11748	65.7
209.15111	10.1
222.76129	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.41313	1.0
53.03948	4.1
54.51620	0.9
55.01873	8.0
55.05513	11.8
57.03433	3.3
57.07063	2.1
59.05007	1.5
65.03947	3.4
67.05171	1.9
67.05506	20.2
67.22064	1.1
67.43668	1.1
69.03438	8.2
69.07077	13.8
69.74960	3.5
69.75372	2.6
71.05000	21.7
78.04726	1.2
79.05501	41.1
81.03419	2.3
81.07061	16.9
83.04992	20.1
83.08612	4.1
85.02918	2.0
85.06531	5.6
87.03275	1.1
91.05482	30.4
93.03382	3.0
93.06479	2.1
93.07050	39.5
95.04979	24.4
95.08607	6.6
97.06543	17.2
97.10157	2.0
98.20795	1.6
99.04454	4.6
99.08096	2.4
102.69635	1.2
103.05476	5.5
105.04519	1.2
105.07047	26.2
106.04189	8.2
107.04960	24.8
107.08601	48.6
109.02888	1.9
109.05808	1.8
109.06530	29.9
109.10172	8.7
111.04463	6.7
111.05083	1.4
111.08084	3.2
115.05451	1.6
115.32393	1.4
116.06236	2.2
117.07014	8.6
119.04909	1.6
119.08590	15.2
121.05663	2.4
121.06517	39.6
121.10150	34.2
123.04413	5.0
123.08107	5.4
123.11716	1.9
125.06019	10.6
125.09643	14.3
129.07014	5.9
129.36176	1.3
130.07771	3.1
131.04935	3.6
131.08578	83.1
133.06523	1.5
133.10149	12.6
134.03607	2.2
135.04433	1.8
135.08072	8.2
135.11674	8.2
137.05981	3.1
137.09634	2.4
139.07503	2.0
141.05466	1.9
143.08556	1.7
145.02892	1.2
145.06480	2.9
145.10136	40.1
147.08069	8.8
147.11673	3.7
148.05199	1.8
149.06000	16.3
149.09630	100.0
151.07565	2.5
151.11198	6.2
153.05470	7.3
153.09106	15.0
155.08537	1.9
159.04344	1.2
163.07555	5.2
163.11191	35.6
163.14876	2.6
165.09129	16.7
167.07074	3.6
167.10677	16.6
167.14297	6.1
173.09651	8.5
173.13287	6.4
177.05490	7.1
181.08658	2.7
191.10681	58.7
191.14319	7.8
194.00313	3.2
209.02684	4.0
209.08101	5.6
209.11745	78.4
209.15289	16.4
215.64935	1.1
226.51469	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03937	2.3
55.01869	4.8
55.05512	9.2
57.03423	4.5
64.56912	1.0
66.27132	1.0
67.05518	7.5
69.03421	3.5
69.07069	18.0
69.57817	5.9
70.68819	1.0
71.04996	22.8
77.03928	1.4
79.05497	44.8
81.03400	1.0
81.07059	10.4
83.04984	11.8
83.08625	2.6
85.06484	1.4
91.05482	19.0
93.07045	37.7
95.04977	30.0
95.08609	2.3
97.06526	7.6
99.04454	5.4
103.05460	2.8
105.07037	28.9
107.04952	18.6
107.08595	58.3
109.06519	8.2
109.10165	2.8
111.04413	2.4
111.06007	1.0
111.08080	1.2
116.06284	1.6
116.82450	1.0
117.07047	7.1
119.08589	8.1
121.06508	42.8
121.10149	37.0
121.11035	1.4
123.04447	1.4
123.08086	4.7
125.05994	7.3
125.09641	1.7
129.07014	4.3
130.07762	2.3
131.04886	1.9
131.08572	100.0
133.06506	1.4
133.10117	3.6
135.04437	2.4
135.08046	5.1
135.11693	5.0
139.07530	2.6
141.05470	3.9
143.08582	2.1
145.06563	1.1
145.10130	40.9
147.08034	4.4
147.11703	4.3
149.06000	6.9
149.09625	81.3
151.07547	1.8
151.11191	3.3
153.05479	15.3
153.09099	7.6
155.07016	1.2
157.30602	1.1
163.07507	1.7
163.11180	27.8
163.14789	1.5
165.09123	4.4
167.06996	3.2
167.10669	5.2
167.14236	5.4
168.79732	1.0
173.09622	3.5
173.13205	1.7
177.05420	2.5
191.08931	1.8
191.10684	37.0
191.14211	5.3
209.02559	1.1
209.11742	71.8
209.15096	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	209.0811
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02389	1.9
53.03947	20.4
55.01879	24.1
55.05511	14.2
55.69022	1.4
57.03444	10.4
57.07080	4.3
59.05001	2.3
65.03950	12.3
67.05509	40.0
69.03425	4.1
69.06731	1.7
69.07075	20.3
71.04996	18.9
75.04488	8.0
77.03925	1.8
78.04719	8.3
78.38670	1.3
79.05496	34.3
81.03419	31.3
81.07063	36.3
82.04194	1.4
82.94847	1.5
83.04981	17.7
83.08617	5.4
85.02926	8.5
85.06542	5.9
89.03931	5.2
89.06039	3.0
91.05486	57.5
93.03412	27.4
93.07050	51.8
95.04976	72.0
95.08620	23.0
96.05775	1.5
97.02898	4.4
97.06546	19.0
97.10167	2.5
99.04465	18.6
99.08102	4.4
103.05480	23.5
105.03398	2.6
105.04513	4.1
105.07032	16.8
106.04180	72.9
107.04960	22.1
107.07872	2.2
107.08596	33.6
108.05743	1.8
109.06529	33.3
109.10162	18.9
111.04451	9.9
111.08092	27.8
113.06023	1.6
113.09623	2.2
115.05457	2.0
117.03396	4.5
117.07043	9.8
119.04942	5.1
119.08578	15.2
121.06512	87.2
121.10148	35.4
122.03613	1.4
122.07289	2.1
123.04448	4.7
123.08083	13.2
123.11722	4.7
123.97459	2.3
124.05209	2.6
125.06008	18.3
125.09604	7.5
129.06984	3.2
130.07811	2.3
131.04959	12.6
131.08591	14.5
133.06479	2.0
133.10136	22.0
134.03645	11.9
135.04459	2.2
135.08084	19.6
135.11690	19.5
137.05981	11.5
137.09613	5.7
137.13245	1.4
138.06757	3.6
139.07570	7.8
139.11194	5.9
143.08582	2.5
145.02846	7.4
145.06485	3.8
145.10139	19.5
147.04395	3.2
147.08029	1.9
147.11700	21.7
148.05190	7.8
149.05995	100.0
149.09631	21.2
149.13278	13.6
151.03918	1.8
151.07568	3.9
151.11212	11.5
153.05554	6.4
153.07086	2.1
153.09111	36.7
153.12741	4.3
155.08583	5.1
158.10907	3.6
161.09642	3.1
161.13152	1.4
163.03859	1.9
163.07549	7.5
163.11182	18.6
163.14847	6.1
165.05495	2.7
165.09111	1.5
165.12773	4.5
166.06357	2.4
167.06985	2.4
167.10706	2.0
167.14328	1.6
173.09633	12.1
173.13280	15.8
176.04662	1.8
177.05481	44.2
181.08621	20.4
181.10039	2.2
185.97560	2.0
191.07001	7.1
191.10634	9.9
191.14313	49.3
194.01820	1.4
194.05721	2.7
209.08049	25.9
209.09579	2.9
209.11768	12.0
209.15350	34.2
223.78897	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03935	2.8
55.01876	4.8
55.05517	24.3
57.03426	6.7
57.07056	2.7
61.02937	3.6
65.03916	2.8
67.05504	12.0
69.03431	7.8
69.07051	10.3
69.33253	2.3
69.67747	5.8
69.68156	13.2
71.04978	10.2
72.90675	2.3
73.96348	2.2
79.05502	16.0
81.03414	2.5
81.07055	26.0
83.04984	23.5
83.08616	3.2
85.02914	22.2
85.06547	5.6
89.35090	3.4
91.05485	33.4
93.07059	29.8
95.04972	17.3
95.08607	19.7
97.06543	14.9
98.97565	12.6
99.04448	5.0
101.00948	2.9
103.05440	4.4
105.03404	3.1
105.07033	37.0
107.08604	38.6
109.05807	3.8
109.06522	73.5
109.10141	8.4
111.08123	20.2
119.04955	16.6
119.07799	4.2
119.08595	55.0
121.06565	5.8
121.10143	36.8
123.04435	4.8
123.08066	21.4
123.11691	20.7
131.08572	11.4
132.02126	2.5
133.06514	7.0
133.10143	19.3
135.08037	10.9
135.11656	3.9
136.05153	5.8
137.05968	4.7
137.09645	19.1
137.13249	4.4
139.07494	3.1
140.11923	2.6
143.08551	4.4
145.10153	12.8
146.03619	3.4
147.04417	19.1
147.08055	15.9
147.11697	66.3
149.02368	12.0
149.09633	33.7
151.07539	23.8
151.11128	2.7
156.09363	12.1
158.99667	9.4
159.08095	5.1
159.11728	3.5
161.05952	5.8
161.09595	9.5
161.13269	39.6
163.11082	5.3
164.04730	13.0
165.09123	4.0
165.12756	68.6
171.11720	17.9
174.03189	3.1
174.10406	26.5
175.03975	9.8
176.08313	11.5
177.00682	5.5
179.07013	11.2
179.14357	5.7
186.07283	3.4
189.09091	5.6
189.12752	62.5
192.04131	7.4
207.06554	42.5
207.10233	8.9
207.13805	100.0
216.85846	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03958	0.6
55.01878	0.3
55.05517	0.5
57.07079	0.2
65.03936	0.3
67.05512	1.3
69.03436	100.0
69.07061	0.9
69.28648	1.6
70.03768	0.3
71.05003	0.3
79.05537	1.0
79.05922	0.2
80.94991	0.3
81.03419	0.7
81.07060	1.3
83.04988	2.8
83.08615	0.2
85.02901	0.3
85.06582	0.2
91.05499	2.9
93.07046	1.5
95.04963	0.9
95.08631	1.6
97.02887	0.4
97.06548	0.5
97.10208	0.4
103.05479	0.4
105.04523	0.2
105.07033	1.2
107.04971	0.7
107.08611	0.9
108.05782	0.2
109.02891	2.4
109.06544	0.7
109.10182	0.3
111.04456	0.6
111.08109	0.3
115.96444	0.4
116.02681	0.2
118.04150	0.4
119.04964	2.4
119.08597	0.7
119.18259	0.2
121.06535	0.8
121.10171	0.5
121.97566	0.4
123.04426	0.4
123.08097	1.6
123.11727	0.3
125.71968	0.2
128.06264	0.2
129.07010	0.4
131.08559	0.3
133.06505	0.7
133.10155	1.1
133.97452	0.2
134.03667	0.2
135.08119	0.2
136.05186	1.0
137.05986	0.3
137.09618	0.4
139.11191	11.6
143.08626	0.3
145.10133	0.4
146.03658	0.6
147.04431	2.1
147.08022	0.3
147.11699	1.6
149.02351	2.2
149.05986	0.3
149.09595	0.5
151.07562	8.0
160.96097	0.3
161.06085	0.3
161.09601	0.8
161.13287	0.5
162.09042	0.2
163.03900	0.7
164.04713	2.5
165.12740	0.4
165.96581	0.6
166.39233	0.2
169.15611	0.2
170.18895	0.2
171.08073	0.3
171.11752	0.3
174.03139	0.6
179.07042	2.3
179.10646	0.4
183.97646	0.5
189.05394	0.2
189.09195	0.5
189.12704	1.0
189.16412	0.3
192.04128	1.0
207.04552	0.4
207.06532	7.3
207.09787	0.4
207.11887	0.4
207.13797	3.0
207.17557	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03948	1.1
55.05512	4.3
57.04374	0.6
57.07072	1.1
59.05005	3.1
67.05504	6.0
69.03432	8.6
69.07080	3.2
69.68728	3.8
71.04976	1.1
79.05508	4.4
81.07065	9.5
83.04989	8.9
85.02904	3.4
85.06564	3.1
91.05467	6.2
93.07054	10.0
95.04974	1.2
95.08615	25.5
97.06537	2.9
98.97579	4.3
101.05975	1.0
103.05463	0.7
105.07037	21.2
107.08607	12.3
109.06519	6.5
109.10139	2.9
111.08045	1.0
113.06042	1.2
116.98675	0.7
119.04945	2.4
119.08588	17.9
121.06481	2.1
121.10127	9.1
123.08074	53.5
123.11716	10.9
128.02313	0.9
128.06268	1.0
129.07008	1.7
131.07700	0.6
131.08537	3.7
133.06500	9.4
133.10136	6.7
135.08060	2.9
135.11699	1.9
136.04083	0.6
137.05899	0.8
137.09616	1.9
141.06895	0.7
143.08557	4.7
144.70132	0.8
145.06554	1.0
145.10156	4.8
147.08035	5.3
147.11694	11.2
149.09631	21.9
151.07547	28.5
156.09349	4.5
156.96947	0.7
158.99707	1.6
159.08049	2.5
159.11653	1.1
160.08855	2.8
161.05969	0.7
161.09625	5.2
161.13269	16.5
163.11157	1.3
165.09073	1.0
165.12758	12.9
171.11690	11.7
174.10411	7.7
177.00639	1.2
179.06998	1.0
179.14313	3.6
189.09128	1.8
189.12752	66.9
207.06473	2.0
207.13809	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02398	1.0
53.03954	6.6
55.01870	2.0
55.05305	0.8
55.05514	8.8
56.79562	0.8
57.07075	1.1
57.33936	0.8
59.04976	1.6
65.03935	1.7
67.05508	29.2
69.03410	0.9
69.07078	6.3
69.60681	1.0
71.04977	2.1
71.24059	1.5
73.06551	1.4
79.05496	46.7
81.03401	2.6
81.06589	1.5
81.07060	24.3
81.89090	0.8
83.04990	4.8
83.08640	4.1
85.06557	4.1
91.05486	45.8
92.30257	1.1
93.07051	100.0
93.62862	0.9
95.04975	13.3
95.08614	12.4
97.06533	3.3
97.10182	1.9
98.11555	1.1
101.06006	1.0
105.04506	3.6
105.07038	25.3
107.04965	2.2
107.08601	14.0
109.06529	5.4
109.10129	1.8
115.96423	2.0
117.07002	4.2
119.07795	1.3
119.08599	16.8
120.08124	0.9
121.06484	3.1
121.10110	3.1
123.08062	6.5
127.07565	1.7
128.06226	1.3
129.06993	10.5
131.08548	1.9
133.06442	1.2
133.10124	8.2
135.11711	1.3
135.45711	0.9
137.09557	0.8
140.36766	0.8
143.08539	5.1
145.10117	9.3
147.08052	2.6
147.11697	49.7
149.09587	1.6
161.09607	4.7
161.13257	10.8
163.11099	1.5
164.96922	0.9
165.12766	1.0
169.10138	0.9
171.11696	21.5
174.46423	0.8
179.14305	1.2
189.09204	1.1
189.12766	13.1
190.16826	0.9
207.09804	1.1
207.13800	29.2
207.17194	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
54.53717	0.6
55.01868	1.2
55.05521	2.7
57.07077	1.8
59.05001	1.3
67.05512	4.1
69.03423	2.3
69.07073	1.8
69.27998	6.0
71.05001	2.0
74.31335	0.6
77.03954	0.8
79.05501	4.7
81.07063	13.7
83.04995	1.2
85.02911	100.0
85.06537	1.4
91.04957	0.6
91.05490	12.8
93.07056	4.7
95.04986	1.5
95.08617	4.5
104.94709	0.7
105.04523	0.7
105.07040	21.5
107.05000	1.5
107.08595	5.9
108.62177	0.6
109.06520	5.5
109.10168	12.9
111.04453	0.9
114.88548	0.7
115.05501	1.3
115.59714	0.7
115.70168	0.7
117.07052	3.1
119.04970	6.6
119.08588	23.4
121.06516	1.1
121.08468	1.4
121.10156	9.3
123.04424	2.8
123.08084	4.0
123.11718	57.2
125.06006	8.9
128.06232	1.6
129.07002	2.4
130.07785	2.2
131.08583	5.1
133.06485	2.5
133.10205	3.2
135.08119	0.7
137.09641	1.7
139.07518	0.8
141.07053	0.7
143.08577	2.6
145.10129	10.0
146.03580	1.0
146.10861	0.7
147.04428	7.8
147.08051	11.1
147.11700	20.6
149.02396	1.8
149.09651	12.2
151.07555	6.2
156.09293	3.2
159.08118	0.7
161.05975	2.0
161.09657	4.0
161.13266	2.3
163.11189	2.3
164.04645	1.0
165.09105	1.9
165.12802	3.3
165.96666	1.0
167.71941	0.6
171.11687	2.2
174.10431	1.3
175.03906	6.3
179.07051	2.0
189.09108	3.2
189.12756	11.8
192.04160	1.9
207.06525	6.2
207.08366	1.1
207.10532	4.6
207.13809	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03949	7.2
54.08179	0.9
54.81475	0.9
55.01867	2.7
55.05516	10.0
65.03930	1.5
67.05509	25.2
69.07068	6.9
71.05000	1.1
73.06557	1.6
77.03924	2.9
79.05499	48.9
81.03428	1.3
81.07060	21.4
83.04990	2.9
83.08616	4.0
85.06533	1.9
91.04900	1.6
91.05488	51.8
93.07050	100.0
95.04980	11.2
95.08619	8.2
97.06535	2.8
97.10200	1.9
98.20767	1.9
101.06026	0.9
105.04510	3.3
105.07043	24.5
107.08598	10.5
109.06538	5.4
117.07033	5.1
119.08598	13.0
121.06506	2.1
121.10141	3.3
123.08070	3.8
124.35959	1.1
124.90061	0.8
127.07578	1.8
128.06215	1.3
129.07016	10.3
131.08578	1.3
133.10176	5.9
134.65694	1.0
143.08530	5.6
145.10139	6.9
147.08095	1.8
147.11696	50.2
161.09621	4.0
161.13255	11.0
171.11696	24.0
179.14342	1.5
189.12773	13.6
207.13818	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.90788	0.4
51.02390	0.9
53.03948	7.0
55.01880	1.3
55.05516	5.2
65.03945	1.2
67.05509	20.9
69.03425	1.1
69.07076	5.1
70.81407	1.0
71.05006	1.8
73.06570	0.8
77.03932	1.6
79.05499	39.8
81.03421	1.1
81.06580	0.9
81.07064	17.2
83.04984	1.5
83.08636	2.9
85.02917	0.7
85.06548	2.1
91.05487	41.3
93.07050	100.0
95.04968	9.1
95.08616	6.4
97.06544	1.5
97.10183	0.7
99.04481	0.4
99.08128	0.4
101.06053	0.4
105.04510	3.9
105.07039	20.3
106.09979	0.4
107.05009	0.4
107.08604	7.3
109.06555	3.6
111.08074	0.6
115.96432	0.5
117.07043	3.8
119.08585	10.8
121.06510	1.5
121.10166	1.9
123.08064	3.2
127.07571	1.6
128.06161	0.7
129.07019	8.3
130.07887	0.5
131.08557	1.2
132.50034	0.5
133.06509	0.5
133.10153	3.7
143.08540	3.6
145.10127	7.4
147.08052	1.6
147.11696	45.4
149.09680	0.7
151.07596	0.7
159.11693	0.6
161.09659	3.2
161.13248	6.9
162.42538	0.4
163.11311	0.4
165.96584	0.4
171.11700	19.5
189.12778	10.4
207.06592	0.7
207.13811	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.64038	0.8
53.03951	9.1
55.01878	2.1
55.05515	8.2
65.03944	1.6
67.05507	27.6
67.38660	0.8
69.07073	7.5
71.04989	2.1
73.06593	1.0
77.03936	2.0
79.05499	52.8
81.03413	2.0
81.07060	21.6
83.04976	3.6
83.08611	3.5
85.06580	2.1
91.04898	1.6
91.05487	45.1
93.07050	100.0
95.04980	13.9
95.08617	10.6
97.06542	1.5
97.10152	1.6
98.21513	2.5
105.04527	2.8
105.07038	24.5
107.08604	12.6
109.06525	3.8
109.10148	1.6
117.07014	4.2
119.08579	15.1
121.06541	1.2
121.10148	2.3
123.08062	3.6
127.07578	1.2
128.06203	1.4
129.07018	10.9
133.10156	6.0
141.09181	1.3
143.08582	5.2
145.10107	6.9
147.08054	2.1
147.11697	49.7
153.75148	1.0
161.09621	4.4
161.13289	10.2
171.11693	24.5
189.12724	13.0
207.13817	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	206.1026
Annotation	Casuarine
Peak:m/z	Relative Intensity
55.01873	3.3
55.05501	3.2
56.08130	0.9
59.04997	4.4
67.05505	1.0
69.03428	3.8
69.63801	4.2
69.64218	2.3
69.78917	0.9
70.02954	6.9
71.04999	18.1
72.04526	27.6
73.02929	16.4
73.06549	3.1
74.02432	1.3
81.03416	1.1
82.06599	1.4
84.08140	1.1
85.02934	1.0
85.06529	1.4
89.06042	14.7
90.05563	92.5
98.02421	18.2
98.06053	1.2
98.09685	3.0
99.04465	12.2
100.03471	1.1
100.03996	13.3
110.06049	6.4
116.02686	1.1
116.03465	14.6
116.07103	2.8
117.05515	1.1
118.08666	2.0
126.09268	1.2
127.54401	0.9
128.03459	1.7
128.07085	44.6
140.07036	1.4
144.10205	10.9
146.08130	13.7
159.06512	1.0
160.09737	11.3
166.62483	0.8
170.08147	29.5
188.09198	100.0
201.00775	1.2
206.10254	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	206.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01873	4.7
55.05510	3.4
56.96563	2.8
57.03432	1.4
58.06604	2.3
59.05001	3.8
65.52868	1.0
69.03423	3.2
70.02953	9.6
71.04996	18.1
71.44144	2.1
72.04517	35.0
72.08163	1.5
73.02921	20.5
73.06559	2.9
74.02435	1.7
81.03420	1.9
82.06600	2.1
84.08163	2.2
85.02919	1.8
85.06528	1.5
89.06026	15.5
90.05558	100.0
90.53120	1.1
97.02895	1.4
98.02422	20.9
98.09698	6.4
98.38152	1.1
98.97597	2.5
99.04462	12.0
100.03984	16.6
100.07639	1.2
101.00802	1.2
110.06048	8.3
116.03459	15.0
116.07091	3.1
117.05484	2.3
121.97584	1.2
123.04436	1.2
123.60563	1.2
126.09135	1.8
128.02342	2.4
128.03381	1.7
128.07077	49.9
140.07025	1.6
142.03412	1.2
144.10210	16.0
144.59135	1.1
145.51736	1.1
146.08139	13.7
152.06990	1.3
155.04683	1.3
158.08229	1.6
159.06560	1.1
160.04311	1.2
160.09709	12.5
170.08133	28.7
188.09186	96.7
196.68417	1.1
201.00648	1.4
206.08282	2.0
206.10246	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	207.1015
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
50.32821	0.4
55.01879	1.0
55.05524	1.2
56.96562	0.5
57.03443	0.7
57.07060	0.4
59.04989	0.5
61.62901	0.4
67.05518	2.3
68.99809	0.5
69.03439	2.6
69.07094	0.9
71.05010	0.7
71.53522	0.4
73.53967	0.4
79.05493	2.8
79.13058	0.3
81.03434	0.6
81.07063	3.0
83.04993	1.1
83.08627	0.6
85.02915	1.9
85.06542	0.5
87.53603	0.4
91.05486	11.2
93.03384	0.4
93.07053	5.3
95.04969	2.3
95.08607	4.3
97.02912	0.6
97.06511	0.9
98.97595	2.6
99.08094	0.7
101.00882	0.8
103.05473	2.2
104.06258	0.4
105.03387	0.7
105.07035	7.4
106.04172	0.6
107.04963	1.7
107.08591	4.5
108.05770	0.8
109.06524	3.4
109.10155	3.0
111.08102	0.8
115.05477	2.6
115.96403	0.5
116.06247	0.6
116.98619	0.8
117.07030	2.1
118.04196	1.3
119.01973	0.7
119.04946	6.6
119.08585	5.3
121.02927	0.8
121.06519	5.2
121.09377	0.4
121.10146	2.1
121.97553	0.6
123.04443	1.5
123.08072	3.5
123.11725	1.4
125.09664	0.3
128.06212	0.4
129.03389	1.1
129.07028	0.6
131.04930	3.2
131.08562	1.5
132.05713	2.7
133.06505	12.5
133.10149	3.6
135.04475	0.5
135.08069	1.5
135.11691	0.9
136.05193	2.2
137.05983	1.0
137.09627	1.5
138.06769	0.6
139.07549	0.7
143.01897	1.8
143.06087	0.7
143.08578	0.5
144.05646	0.6
145.06526	3.2
145.10196	0.5
146.03664	1.7
146.07323	2.0
147.04425	5.7
147.08049	5.2
147.11702	4.2
149.02330	4.6
149.06001	4.6
149.09592	3.4
151.07564	9.6
156.09296	0.9
158.99677	2.5
159.08124	0.4
160.05199	1.6
161.03172	2.0
161.05986	38.2
161.09633	1.3
161.13272	1.8
162.03111	0.6
162.06776	1.3
163.03886	1.3
163.07578	3.1
163.11162	0.6
164.04695	6.9
164.08345	1.5
165.05421	0.6
165.12770	2.0
165.96587	0.6
171.11646	1.8
174.03136	1.8
174.06766	1.0
174.10463	0.8
175.03918	2.2
175.07562	7.6
176.08333	100.0
177.00735	1.1
177.05470	7.3
177.09088	5.8
179.07060	6.4
179.10651	1.9
186.07289	0.8
189.05402	0.4
189.09193	1.3
189.12758	4.2
191.07021	0.6
192.04240	2.7
192.07814	11.8
195.07761	0.8
195.57953	0.5
207.06589	18.9
207.10170	55.8
207.13602	7.0
219.01790	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
55.05518	13.0
57.07077	11.1
59.11405	1.6
60.88786	1.5
65.03924	4.1
67.05505	15.0
69.07077	25.3
69.19438	17.2
69.71607	1.5
71.06126	1.7
79.05492	7.0
81.07067	13.6
83.08630	13.0
88.51389	1.6
91.05468	3.6
92.17062	1.7
93.07044	26.5
95.08614	43.5
97.10196	11.4
98.21516	3.7
99.63143	1.7
99.63998	1.8
105.07017	3.6
107.08594	38.4
109.10163	100.0
111.11698	8.2
119.00548	1.6
119.08577	3.9
121.02861	8.3
121.03947	2.2
121.10152	49.6
123.11723	14.4
135.11702	50.3
145.10161	1.6
149.02361	78.5
149.13283	27.6
163.14824	7.8
166.53128	1.7
170.23291	1.8
187.11340	1.8
205.08768	2.7
205.12288	3.6
205.19540	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23016	4.5
56.96564	33.5
69.03424	6.9
69.53508	31.9
85.02885	4.8
87.04433	4.1
98.97581	37.0
101.00880	33.8
102.73233	4.6
116.98656	14.4
119.01917	66.5
119.02707	8.3
120.08094	4.7
124.02480	13.0
130.08812	4.2
131.01074	8.3
131.01968	5.9
137.02911	9.4
140.01575	6.6
142.03503	100.0
153.18289	4.1
154.01340	9.9
156.01056	7.2
160.04572	31.2
160.05795	5.4
161.02971	7.3
170.98912	6.5
174.02043	7.4
177.00847	4.4
179.99480	6.9
182.99582	6.0
188.00136	12.8
200.50070	5.0
201.00694	13.0
201.02397	6.0
212.05482	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	206.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	4.3
70.79416	3.4
70.79748	2.9
82.01454	1.8
82.99841	7.7
83.01517	1.8
98.97585	6.0
100.02468	2.3
101.00891	41.0
101.02557	3.3
102.00957	4.2
103.00629	10.2
103.01249	2.0
116.98666	3.0
119.01931	57.2
120.01990	4.2
121.01667	14.6
121.02391	2.1
124.02455	15.0
126.02270	2.5
137.02962	8.8
139.02701	2.9
142.03505	100.0
143.03653	5.6
144.03214	12.8
160.04565	20.5
165.05080	2.6
177.00879	2.0
179.00739	6.8
179.98616	3.2
182.48878	3.3
182.99666	5.3
188.99123	9.3
189.49168	2.9
191.49452	16.2
191.99583	5.8
200.50003	28.9
201.00366	7.2
201.02422	3.5
201.49921	2.8
222.94205	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	204.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02267	1.0
53.03936	1.8
55.01877	7.2
55.05518	25.7
56.05031	2.3
57.07066	4.2
57.98802	0.9
58.06597	2.5
58.99591	56.1
60.04530	40.6
61.01155	8.0
62.00656	1.3
66.02452	0.9
67.05491	1.2
68.05021	4.5
69.03423	3.4
69.07072	5.5
69.62175	6.1
70.06583	2.1
72.04514	1.2
72.08153	1.7
73.01149	17.2
73.02924	1.8
74.00668	5.4
76.01830	1.8
76.02232	19.5
78.22903	1.0
79.05508	8.4
79.88355	0.9
81.03407	2.3
81.07063	54.9
82.06574	1.1
83.08625	12.6
84.04513	10.3
84.08137	1.9
85.01132	4.4
85.02909	5.5
86.99060	34.8
87.02673	1.8
88.02213	3.7
88.03986	5.3
88.07633	4.5
91.05434	1.3
95.08609	1.7
96.04494	9.3
97.02911	10.8
98.06055	2.0
99.02670	3.1
99.04475	2.4
100.11264	100.0
102.05540	2.1
105.00104	16.0
105.07068	1.0
106.08657	1.1
107.08594	2.4
109.02938	1.2
110.06062	1.8
112.11230	2.2
113.04217	1.1
114.05521	6.5
115.05806	20.4
116.05325	8.7
117.23871	0.9
124.11228	2.2
126.05534	11.6
127.03909	2.0
132.10280	1.1
136.06160	1.2
138.05521	5.2
141.07315	8.0
144.06535	3.6
145.05008	1.7
145.06462	1.2
149.02377	2.4
158.09999	35.0
168.06563	2.8
186.05498	1.7
186.07620	1.6
187.07890	95.4
189.11443	1.6
194.18420	1.0
204.08649	17.4
204.10542	68.2
204.12332	34.2
204.13898	11.2
204.19676	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	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
50.38053	0.3
50.59187	0.3
51.46126	0.3
53.03945	0.5
55.05517	2.6
57.07080	8.7
60.04521	0.7
65.03943	4.6
67.05505	3.1
68.15801	0.3
69.03420	0.7
69.07077	4.8
69.46583	0.3
70.97487	0.4
70.97833	0.7
71.08624	0.3
73.02908	0.3
79.05494	3.6
81.03421	0.8
81.07062	15.4
83.08615	2.3
85.02906	1.1
85.04884	0.3
91.05468	2.3
93.03421	1.7
93.07047	14.3
95.04964	0.4
95.08612	8.0
97.02895	3.0
97.10174	1.1
99.04498	0.7
105.07014	1.6
107.08598	10.5
109.02908	2.0
109.10159	7.6
111.04436	0.7
111.11720	0.7
113.96371	0.5
119.08592	0.5
121.02872	12.0
121.03961	2.2
121.06570	0.5
121.10151	34.5
123.11724	4.3
127.03915	0.6
127.05885	0.6
129.05768	0.3
131.08614	0.6
133.79568	0.3
135.08051	0.4
135.11702	6.3
137.13243	0.5
139.03986	0.3
145.10184	0.4
149.02351	100.0
149.13263	12.0
150.02722	0.9
155.59665	0.3
163.11278	0.4
163.14813	1.3
167.03444	0.9
190.05049	1.0
205.08647	0.6
205.12216	0.8
205.14207	0.7
205.15988	0.7
205.19542	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	202.1439
Annotation	2-octanamidoacetic acid
Peak:m/z	Relative Intensity
51.59748	0.2
55.05499	0.2
56.91970	0.2
58.06604	7.9
59.87796	0.2
66.72304	0.2
67.05489	0.3
70.04122	0.6
70.06605	0.3
72.08155	0.4
72.80576	0.2
79.06065	0.2
82.06597	0.4
83.08622	0.2
84.08147	0.5
88.07093	0.4
88.07637	8.4
96.08128	0.8
100.07650	0.3
110.09688	1.9
111.08084	0.5
111.10448	0.4
119.01922	0.4
139.07530	0.3
161.02951	0.2
166.12050	0.2
166.24353	0.2
171.80896	0.2
184.13373	1.8
202.14391	100.0
203.14798	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39712	0.4
56.96559	1.1
64.15051	0.6
67.81942	0.4
70.51408	0.6
70.51768	1.3
82.01501	0.5
82.99840	3.5
83.99929	1.6
90.46335	0.4
92.17046	0.4
94.17453	0.4
96.94398	0.5
98.97586	3.3
100.02490	0.7
100.97226	0.7
101.00889	44.2
101.97198	2.5
102.00951	15.3
102.96884	4.4
103.00654	0.9
111.00449	0.5
113.00862	0.5
116.98615	1.1
119.01928	100.0
119.98280	1.0
120.02015	38.1
120.96540	0.9
120.97914	2.1
121.01659	2.2
124.02444	0.9
125.02559	1.7
131.01930	1.2
134.99615	0.5
137.02969	22.2
138.03056	7.0
138.98982	0.7
142.03514	5.0
143.02003	2.6
143.03633	20.0
144.02122	0.8
144.03262	1.5
156.97481	0.9
157.03508	1.6
157.49548	0.5
160.04590	1.1
161.02983	24.4
161.04655	5.4
162.03091	16.1
163.02684	0.6
173.02988	1.2
179.04024	26.5
179.97833	0.7
179.99214	0.7
180.04134	21.2
181.03775	0.6
185.03020	0.9
185.04779	1.8
189.03357	0.6
189.07620	0.5
203.04118	1.0
203.05830	1.2
203.07655	0.6
221.01796	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	202.1075
Annotation	L-dihydroanticapsin
Peak:m/z	Relative Intensity
50.56463	0.6
53.20674	0.6
55.01875	5.2
55.05521	4.7
56.01406	0.6
56.05054	0.9
56.96582	1.7
57.07080	11.5
59.05009	0.6
67.05506	9.2
68.05037	0.8
69.03419	3.0
69.07070	9.9
70.02958	16.1
70.06590	5.7
71.05016	0.9
71.43850	1.4
72.04522	17.3
72.08161	17.0
73.02925	16.1
74.02447	3.0
79.05516	1.7
81.07051	4.6
83.04990	2.6
84.04504	3.0
84.08160	1.7
85.02911	0.7
85.06548	11.3
86.06068	8.6
86.09721	5.7
87.04474	24.9
87.08113	4.3
90.05566	3.4
95.04981	14.3
96.04536	1.0
96.08154	5.4
98.02424	40.1
98.06065	26.8
98.09716	1.0
98.97595	1.9
99.08108	1.4
100.03983	9.4
103.07587	3.5
105.16911	0.6
110.09703	1.3
112.07625	2.1
113.06003	8.0
114.05543	1.7
115.08790	0.7
116.03463	26.0
119.01920	1.6
122.26170	0.6
124.07600	34.1
128.03439	0.6
130.04971	1.3
130.08678	1.9
131.07059	1.5
132.10199	2.9
138.09172	1.4
139.03848	0.9
140.10712	33.3
142.03731	0.6
142.04999	2.1
142.08646	33.7
142.12283	1.3
143.08160	0.9
148.09735	1.0
156.10211	5.0
158.11780	100.0
158.99730	0.8
159.12006	0.7
160.09702	11.3
160.10858	2.1
161.02975	0.6
166.08688	3.8
172.09798	0.7
174.11264	4.4
184.09712	32.9
184.13293	7.8
191.05780	1.5
193.21808	0.6
202.10750	89.5
202.14368	19.6
202.45065	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01868	0.5
51.54479	0.5
53.03953	1.8
53.74763	0.5
55.01900	0.7
55.05515	7.8
56.05041	15.4
58.99593	23.0
61.01164	0.7
65.03965	0.7
68.05046	1.5
69.07062	0.8
70.06592	1.7
70.69093	1.2
72.08160	1.2
73.02906	0.8
74.00670	1.9
76.02238	7.0
77.03905	0.6
79.05500	32.0
80.05032	1.2
81.06586	1.1
81.07063	19.5
82.06598	6.8
85.01136	100.0
85.06504	0.7
86.00660	13.7
86.99060	14.6
88.02216	3.9
88.04005	2.3
94.06606	1.1
95.04992	0.9
95.08633	0.7
96.08149	2.4
97.01118	0.8
97.08920	7.6
98.09702	29.5
98.97568	1.0
100.02210	0.9
105.00097	7.3
105.04558	0.6
105.07063	1.4
108.08119	0.7
110.09679	1.4
112.48802	0.6
113.04242	47.7
114.95667	0.6
120.01158	2.8
122.09657	2.7
128.02348	1.3
131.01660	1.7
132.01166	14.6
139.05754	0.7
156.08447	8.1
159.04787	0.8
160.07639	3.1
160.75308	0.6
185.06319	7.8
187.11858	2.3
202.08975	23.4
202.10660	1.2
202.14296	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
55.05262	1.3
55.05511	15.6
56.41731	0.9
56.96552	1.5
57.03430	2.2
57.07077	4.5
59.04989	1.8
67.05508	57.8
67.85387	0.8
69.03426	1.2
69.07065	7.0
69.87166	0.9
70.71843	2.5
71.05000	17.3
73.06567	1.1
79.05499	10.0
81.07061	100.0
83.04971	2.8
83.08621	3.1
85.06548	15.7
87.04453	1.0
91.05480	18.8
93.07043	4.8
95.04980	1.1
95.08610	7.0
97.06516	1.5
97.10173	1.7
100.67706	0.9
105.07034	12.0
107.08601	10.3
109.06503	2.6
109.10173	16.1
117.07021	2.4
118.96769	9.3
119.08586	2.5
121.10141	1.2
122.28436	0.9
123.08102	0.9
123.11715	17.8
127.03924	2.8
127.07507	1.5
128.06239	1.1
131.08574	3.5
133.10144	23.8
133.99063	2.3
137.06015	1.6
137.09627	1.1
143.08569	1.1
145.10117	7.1
149.05440	1.5
150.95773	1.1
151.11188	13.2
154.96457	3.1
159.11723	5.2
159.97052	1.5
169.12234	3.1
173.13248	1.9
177.98093	6.5
183.11794	1.2
183.13698	0.9
186.10382	1.0
187.13316	11.8
200.99721	1.2
201.05550	1.9
201.07414	1.1
201.09109	2.1
201.12755	5.2
201.16357	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	201.1388
Annotation	Tetrahydrozoline
Peak:m/z	Relative Intensity
54.14238	0.2
55.05482	0.2
56.05006	0.4
57.03387	0.7
57.05773	0.6
57.07047	0.3
64.96442	0.1
67.05451	0.5
69.03407	0.3
69.07038	0.2
70.06594	2.7
71.04964	0.3
71.06931	1.5
71.53281	0.2
72.08109	0.3
74.24239	0.1
79.05467	0.3
81.03396	0.2
81.07016	0.6
83.04948	0.3
85.02865	0.5
85.06534	0.3
86.09677	0.4
88.03944	0.6
89.21176	0.2
91.05456	0.4
93.07002	0.3
94.06542	0.3
95.04916	0.6
95.08556	0.5
97.02851	0.2
97.06474	0.5
98.97575	0.3
99.04397	0.3
105.07000	0.4
107.08559	0.2
109.06461	0.2
109.10134	0.4
113.05975	0.4
115.05424	0.5
117.06928	0.3
118.96774	1.2
119.08595	0.3
123.04369	0.2
123.08059	0.3
126.90614	0.2
127.03915	0.4
129.07001	0.2
130.06535	7.8
133.99045	0.3
137.05878	0.2
137.09596	0.5
141.01831	0.4
141.05487	1.1
141.07040	0.2
143.07330	1.6
144.08081	1.6
145.06461	0.4
145.08835	0.9
145.09996	0.4
150.51234	0.2
154.06561	0.2
156.08072	0.7
157.08849	0.6
158.06041	0.2
165.09093	0.3
171.09190	4.5
173.05954	0.4
176.07660	0.2
177.98106	0.9
183.11856	0.2
185.10753	2.0
186.11530	100.0
187.11906	0.6
201.05495	0.9
201.09044	1.0
201.13889	37.8
202.14293	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09522	0.2
55.01868	0.6
55.05505	1.0
56.05038	1.7
57.05795	0.2
57.07074	0.3
58.06589	0.5
58.70001	0.2
65.99760	0.2
67.05505	3.0
68.05026	0.3
69.03417	0.6
69.07069	1.0
70.06595	1.5
70.07401	0.3
71.04996	0.5
71.53100	0.4
72.08150	0.4
72.96689	0.2
79.05499	0.7
80.04997	0.3
81.03438	0.2
81.07051	2.3
82.06573	0.7
83.04986	0.5
83.08625	0.4
84.08167	0.3
85.02895	0.6
85.06540	0.7
91.05485	4.0
93.07045	2.4
95.04984	0.3
95.08611	5.1
96.08146	1.1
97.02880	0.3
97.06551	0.5
97.07667	1.8
98.06044	1.1
98.97602	0.4
99.04432	0.3
99.06865	0.3
100.07618	6.4
101.02357	1.0
101.42938	0.2
102.04868	0.4
102.05547	7.2
105.07017	1.1
105.70367	0.2
107.08599	1.2
109.10165	2.7
113.06060	0.3
113.10761	0.9
114.07906	0.3
115.05472	0.5
117.07021	0.9
118.96783	1.1
119.08587	7.9
121.10151	0.5
123.08096	0.5
123.09171	0.3
123.11726	0.4
124.07609	0.4
125.09660	0.3
127.03919	0.5
127.07076	0.3
129.07014	0.5
130.06537	2.9
131.08594	1.5
133.99118	0.3
137.09622	6.7
139.07561	0.4
141.10229	100.0
142.06544	0.2
142.10614	0.5
143.07336	0.6
143.08490	0.2
144.08105	0.5
144.09273	0.2
145.06502	0.6
145.09027	0.4
145.10143	2.6
147.08058	0.8
147.11777	0.4
155.08537	0.2
155.10680	0.6
156.08107	0.3
158.03612	0.5
158.05965	0.3
158.07198	0.3
159.11714	1.8
164.24225	0.2
165.09120	1.1
169.06827	0.5
169.09749	0.7
171.09229	1.5
173.05974	0.9
173.09673	0.3
173.13297	0.5
177.98004	1.1
183.10175	0.5
185.10741	0.6
186.11528	28.5
201.05452	1.6
201.07468	0.3
201.09087	1.0
201.11041	0.9
201.12357	3.7
201.13914	11.4
201.16341	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83013	0.2
55.05502	0.5
56.96560	0.8
57.07090	0.2
67.05507	0.2
68.05032	0.5
69.07072	0.4
69.85844	0.5
69.86244	0.4
70.06592	100.0
71.05021	0.3
71.06930	0.4
71.92987	0.2
71.95265	0.2
72.08154	0.3
74.09706	0.2
80.04984	0.2
81.07046	0.2
82.06588	0.2
84.08146	0.8
85.06536	0.2
86.09683	0.2
95.04999	0.2
95.08617	0.2
96.04509	0.2
96.08153	0.3
98.06091	0.2
98.20802	0.2
98.97586	7.9
100.07634	0.2
103.02229	0.2
108.04486	0.2
109.06528	0.2
115.08685	0.2
116.97300	0.3
116.98611	4.5
118.96777	0.4
126.78391	0.2
128.02324	0.2
130.96707	0.3
134.99658	1.8
136.03963	0.2
136.06192	0.4
136.07542	0.2
140.07103	0.4
140.10687	0.4
141.05066	0.2
148.97787	0.5
153.00795	0.2
153.96716	0.2
154.08598	0.4
168.06639	0.2
172.07565	0.2
176.95950	0.2
176.98273	0.3
177.00760	0.4
177.98096	0.3
182.07979	0.2
182.11803	0.5
186.11536	0.8
195.01842	0.2
200.04147	0.3
200.07259	0.5
200.09158	0.5
200.12764	1.3
200.14531	0.2
200.16545	0.4
200.19276	0.8
201.13835	0.2
206.69507	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04438	0.2
54.98635	0.4
56.96570	5.7
57.03436	0.7
58.06597	0.3
69.03428	0.7
70.06606	0.4
71.32863	0.4
71.95274	1.3
73.02924	0.9
81.03411	0.3
82.01418	0.4
84.04521	0.3
84.96049	0.3
85.02910	1.1
86.06082	0.8
87.04475	0.7
97.02896	1.0
97.06548	0.6
98.97594	100.0
99.04476	0.3
100.02484	0.5
101.00878	0.4
110.01318	0.4
110.97572	0.9
113.00867	0.6
114.09159	0.3
116.98633	41.4
119.01840	1.1
126.00783	0.6
127.03947	0.4
128.02307	0.4
128.07094	1.0
128.98598	0.6
131.01912	2.0
133.03500	0.4
134.99673	10.0
136.06206	0.3
140.00209	2.7
147.01183	0.3
149.02940	0.4
153.00764	0.6
154.03473	1.5
156.03140	0.3
156.04910	0.3
156.10236	0.2
158.01274	1.8
158.09242	0.6
158.99664	2.0
159.01352	0.6
160.14207	0.3
168.03703	0.7
170.99704	0.5
172.04587	0.4
176.02271	0.3
177.00719	4.5
177.02444	1.3
177.03943	0.3
177.59525	0.2
182.03036	1.6
191.03909	0.3
195.01859	1.2
195.03406	0.3
199.18872	0.3
200.04050	2.6
200.10474	0.3
200.12822	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	199.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01876	2.5
55.05504	2.7
56.02655	1.7
57.03443	0.9
57.07084	1.3
59.04991	0.7
65.03960	0.8
67.05511	16.2
69.03462	0.7
69.07079	2.9
70.02338	2.1
70.06614	0.6
71.05000	100.0
71.08641	0.9
73.67002	0.5
74.09728	6.0
79.05500	26.4
81.07058	5.8
83.04998	2.4
83.08627	2.0
85.02915	1.8
85.06541	2.1
91.05479	5.9
91.79832	0.5
93.07053	19.7
95.04967	0.7
95.08617	3.3
97.06549	1.4
99.04486	0.8
99.08085	1.0
100.07626	1.7
105.07043	6.1
107.04995	0.7
107.08607	46.6
109.10218	0.9
111.04477	0.7
116.97225	2.4
119.08600	1.3
121.06522	0.6
121.10154	30.4
123.08096	1.6
125.09679	0.6
128.16669	0.5
129.06998	0.9
131.08578	15.8
131.09534	1.0
133.10120	0.7
135.11736	0.5
139.11215	1.3
140.04720	1.0
143.08617	0.7
149.09630	16.2
152.96953	0.7
153.12700	0.6
157.10127	1.2
163.11269	0.6
167.10703	2.9
175.98553	1.6
181.12207	1.1
185.11784	0.6
199.07538	1.4
199.11166	0.7
199.13312	1.2
199.14975	1.4
199.18921	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	197.1538
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
53.03951	1.2
55.01876	2.1
55.05512	24.2
57.03444	3.7
57.07075	2.6
65.03936	1.1
67.05508	29.5
69.03425	0.8
69.07073	26.3
70.95876	6.0
71.01337	2.0
71.04995	16.2
71.30196	0.9
71.30526	0.9
72.93806	3.3
73.06557	0.9
79.05502	16.8
81.03449	0.7
81.07060	81.6
83.04971	6.4
83.08621	24.2
85.06548	22.5
87.04459	1.1
88.96854	0.8
90.35226	0.6
91.05488	20.5
93.07048	22.4
93.63588	0.6
95.04980	2.1
95.08611	100.0
96.08984	0.7
97.06532	28.5
97.10178	8.3
99.08102	5.7
101.06025	1.9
105.07038	23.6
107.08603	11.7
109.06506	3.5
109.10170	7.2
111.08089	6.0
111.98484	6.8
113.09634	1.9
115.07530	1.5
117.07040	1.7
119.08588	35.4
121.10157	10.5
123.08065	7.9
123.11716	2.0
125.09700	1.0
127.07554	1.6
129.99525	2.3
131.08588	0.8
132.15883	0.7
132.95854	15.5
133.10130	27.4
135.11688	20.1
137.05989	1.3
137.09645	4.3
137.13258	18.2
141.09093	1.3
150.96883	9.1
151.11194	0.8
151.14825	0.8
155.10657	1.5
155.97437	11.5
161.13261	65.3
162.13667	0.8
173.98505	9.0
179.10704	2.1
179.14316	36.7
197.11702	2.3
197.15385	22.5
197.16792	0.4
198.18570	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	197.1538
Annotation	Dihydrocarveyl acetate
Peak:m/z	Relative Intensity
55.01875	1.5
55.05518	27.0
57.03431	3.5
57.07074	2.6
57.41430	1.0
61.69442	0.9
67.05510	26.8
69.07076	25.4
70.17006	2.5
70.17413	2.4
70.95867	7.3
71.05005	8.7
72.93795	3.2
73.06583	1.1
74.27750	1.2
79.05499	15.7
81.07065	76.0
83.04991	6.3
83.08628	22.0
85.06550	11.5
91.05491	20.0
93.07049	23.8
95.04972	2.0
95.08614	100.0
97.06543	21.4
97.10189	13.1
97.38614	1.0
99.08101	6.4
105.07042	25.5
107.08607	12.0
109.06534	6.7
109.10152	7.9
111.08083	4.6
111.98489	6.4
113.09625	2.1
115.07573	2.6
117.07024	2.1
119.08591	42.2
121.10152	14.6
123.08083	9.7
127.07570	2.6
129.99496	1.3
132.95863	14.2
133.10144	26.0
135.11708	27.0
137.09666	2.2
137.13268	32.1
141.09090	1.7
150.96896	11.5
155.97447	12.8
161.13274	76.2
173.98511	13.2
179.10742	2.1
179.14325	49.7
197.00189	1.6
197.11798	2.1
197.15338	12.5
198.18541	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	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
51.72253	0.8
53.03955	1.2
55.01875	2.2
55.05506	3.7
57.03450	1.7
57.07062	2.7
59.05000	2.6
67.05505	3.4
69.03416	2.0
69.07066	2.8
69.40244	6.0
70.95566	0.9
70.95875	9.3
71.04980	1.4
72.93777	3.5
74.07640	0.9
79.05497	5.2
81.07071	7.9
83.04966	1.2
83.08629	1.0
85.06535	1.2
86.14348	0.9
91.05493	14.2
93.07058	22.7
94.61253	0.9
95.04980	5.9
95.08607	4.8
98.20708	2.0
103.61966	1.0
105.07044	25.6
107.08607	60.6
109.06517	5.9
109.10155	8.1
111.08115	1.7
111.98492	10.5
113.96391	1.3
117.07033	1.1
119.04964	1.7
119.08596	6.2
121.06497	5.0
121.10168	2.1
123.04433	3.0
123.08094	1.6
123.11710	3.4
125.05960	1.0
129.99503	2.6
131.08585	1.7
132.95860	19.9
133.10150	63.3
135.08084	1.2
135.11707	58.4
137.05988	3.5
137.09616	3.5
146.07349	2.2
150.96906	13.6
151.07668	1.2
151.11136	6.1
155.97438	15.0
161.09637	27.5
173.98521	14.3
179.10692	96.2
197.00079	1.2
197.06027	1.9
197.11755	100.0
198.18527	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	197.1173
Annotation	Phenol A
Peak:m/z	Relative Intensity
53.03934	1.1
55.01861	4.3
55.05516	22.4
55.93517	1.1
67.05508	1.3
67.43358	0.8
69.03425	2.8
70.57981	0.9
70.58320	1.5
70.95869	6.8
71.04999	1.0
72.93787	3.3
79.05510	3.0
81.03411	1.0
81.07063	14.9
83.04989	0.9
85.06540	1.3
88.96885	0.8
91.05482	2.9
93.07046	2.4
95.04984	1.3
95.08624	1.4
97.06540	7.2
97.35540	0.8
99.04459	10.5
105.03403	1.9
105.07050	4.5
107.08600	5.3
108.65469	0.6
109.06527	7.5
109.10181	2.0
111.04452	1.5
111.98483	9.9
114.94878	0.6
119.08592	1.3
121.06422	0.7
121.10128	0.8
123.08099	0.7
123.11665	1.7
125.06000	100.0
127.03922	37.4
128.06213	0.8
129.99518	2.1
132.95848	17.7
133.10133	5.8
135.11693	2.6
137.05986	79.3
137.09583	1.4
143.08560	2.3
145.04947	1.1
150.96899	11.1
151.03935	0.7
151.07423	0.7
151.11185	2.1
155.97418	12.5
161.09619	10.0
173.98495	11.9
173.99905	0.9
179.10670	17.4
179.12210	1.1
197.08066	1.1
197.11748	15.6
211.91174	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03941	2.7
53.68505	1.0
55.01876	5.7
55.05269	1.2
55.05515	16.6
55.93520	1.3
57.03437	2.2
63.61108	0.9
65.03938	1.1
67.05515	8.2
69.03414	3.9
69.07063	4.5
70.06570	0.9
70.95869	26.6
71.04985	3.0
71.53280	1.0
72.08158	1.2
72.93793	12.1
79.05489	7.0
81.07061	30.5
83.04974	3.3
83.08613	1.6
85.06548	2.6
86.17328	1.0
88.96898	3.2
90.94807	2.6
91.05495	12.5
93.07050	16.9
95.04976	3.2
95.08608	19.1
97.06522	8.1
99.04465	7.5
105.03386	5.8
105.07037	23.9
107.04993	1.8
107.08601	69.7
109.06514	15.2
109.10165	14.0
111.04404	2.2
111.97723	2.0
111.98480	32.5
113.96380	2.0
114.94786	1.9
117.07019	1.3
119.04970	1.4
119.06093	1.1
119.07805	1.9
119.08592	23.9
121.06503	5.3
121.10147	10.6
123.04482	2.0
123.08075	15.3
123.11715	3.1
125.05999	69.6
125.09637	2.7
127.03928	24.0
128.06255	2.1
129.99529	8.2
131.08554	2.2
131.97423	1.1
132.95854	68.0
133.02905	1.2
133.10141	44.6
135.08043	1.8
135.11699	21.0
137.05986	100.0
137.09608	17.7
137.13254	2.5
143.08542	5.4
150.96896	44.1
151.03934	5.5
151.07536	2.8
151.11192	5.6
155.97432	51.7
161.09645	19.6
161.13266	17.5
165.05461	1.7
173.98503	54.7
179.05823	1.4
179.09085	2.2
179.10678	39.6
179.14278	10.2
182.43694	1.0
197.00102	3.4
197.06018	2.6
197.11731	51.7
197.15417	3.7
198.18507	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	197.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01861	4.3
55.05516	22.4
55.93517	1.1
67.05508	1.3
67.43358	0.8
69.03425	2.8
70.57981	0.9
70.58320	1.5
70.95869	6.8
71.04999	1.0
72.93787	3.3
79.05510	3.0
81.03411	1.0
81.07063	14.9
83.04989	0.9
85.06540	1.3
88.96885	0.8
91.05482	2.9
93.07046	2.4
95.04984	1.3
95.08624	1.4
97.06540	7.2
97.35540	0.8
99.04459	10.5
105.03403	1.9
105.07050	4.5
107.08600	5.3
108.65469	0.6
109.06527	7.5
109.10181	2.0
111.04452	1.5
111.98483	9.9
114.94878	0.6
119.08592	1.3
121.06422	0.7
121.10128	0.8
123.08099	0.7
123.11665	1.7
125.06000	100.0
127.03922	37.4
128.06213	0.8
129.99518	2.1
132.95848	17.7
133.10133	5.8
135.11693	2.6
137.05986	79.3
137.09583	1.4
143.08560	2.3
145.04947	1.1
150.96899	11.1
151.03935	0.7
151.07423	0.7
151.11185	2.1
155.97418	12.5
161.09619	10.0
173.98495	11.9
173.99905	0.9
179.10670	17.4
179.12210	1.1
197.08066	1.1
197.11748	15.6
211.91174	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03935	0.6
55.01870	2.7
55.58321	0.3
56.24583	0.3
59.96313	0.3
62.92761	0.3
65.03951	1.4
67.05499	1.4
69.72726	1.5
70.95874	4.8
71.05025	0.4
72.93802	1.8
73.02927	22.6
78.66492	0.4
81.07069	0.5
85.30074	0.3
88.96890	0.6
90.94832	0.4
91.05479	2.2
93.03420	1.5
95.04964	1.2
95.08616	0.4
98.20724	0.4
108.02117	1.6
109.06547	0.5
109.11066	0.3
110.03667	2.3
111.04472	0.6
111.56795	0.3
111.98491	5.5
113.96425	0.6
114.94769	0.6
119.04926	1.6
123.04442	0.3
125.06007	19.1
129.99559	1.3
132.95848	12.6
133.10118	0.4
137.05989	1.5
137.75526	0.3
141.04562	0.3
141.05487	2.1
145.65593	0.3
149.06004	2.6
150.96901	7.4
151.03925	100.0
151.05029	8.8
151.07402	3.2
155.97437	8.1
158.00391	0.3
173.98506	8.6
173.99931	0.6
179.07053	22.4
197.06274	0.5
197.08107	9.8
197.11763	0.3
200.22906	0.3
207.41597	0.3
215.11467	0.4
219.66943	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50595	1.8
55.05515	50.3
57.04163	1.7
57.07082	22.4
66.92311	1.8
67.05499	4.6
69.07074	100.0
69.94541	4.8
69.94933	3.8
71.08630	8.4
73.69153	1.8
81.07050	4.1
83.08627	52.2
85.10213	4.5
89.06029	18.9
93.06990	3.1
95.08606	4.3
97.10176	33.8
98.20789	2.5
99.27432	2.4
111.11731	15.3
118.64871	2.0
121.10137	2.2
125.13271	4.1
133.08690	2.8
139.21561	2.1
147.95784	2.1
163.03931	17.7
177.05507	2.8
181.33136	2.1
187.76457	2.2
195.11963	2.3
195.15817	9.7
195.17375	2.2
208.58153	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	196.0606
Annotation	6-Hydroxy-3-succinoylpyridine
Peak:m/z	Relative Intensity
50.05535	0.8
65.03922	1.0
70.81011	0.9
70.81326	1.8
70.95856	1.3
80.05018	13.0
83.11857	0.7
87.00833	6.9
87.95084	0.8
89.59343	0.7
92.05023	4.3
93.03406	1.0
104.04989	2.0
108.04483	56.0
110.06049	68.2
111.98468	1.0
118.03726	1.3
129.90280	0.9
131.96123	0.9
132.04469	8.9
132.95836	2.3
136.03943	100.0
146.03157	1.2
150.96912	1.1
155.97360	1.7
160.03943	11.3
169.38087	0.8
173.98535	1.8
178.04984	93.0
196.06053	11.1
196.09735	1.0
196.13268	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	195.1746
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.27771	0.8
53.28035	0.8
55.01872	2.5
55.05517	15.3
57.07072	3.6
67.05514	7.4
69.03438	6.8
69.07075	32.0
69.43295	7.1
71.04997	5.6
72.22569	1.1
75.46146	0.9
79.05496	8.1
81.07066	30.0
83.08632	15.8
85.06541	3.7
91.05468	3.6
93.07053	19.2
95.08617	54.1
97.06544	1.6
97.10181	9.4
99.07491	2.0
99.08105	34.7
105.07040	3.6
107.08604	38.7
107.39207	0.9
109.10151	11.7
111.08099	13.0
111.11728	2.5
113.09644	6.3
119.08601	1.4
121.10159	65.3
123.11736	2.7
125.09644	30.0
125.85881	0.9
133.10226	1.2
135.11707	16.7
137.13268	16.1
137.21294	0.8
139.11203	2.8
145.02879	1.6
149.13263	4.5
162.24879	1.0
177.05414	2.1
177.16402	100.0
195.13690	0.9
195.17451	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	195.1747
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
52.37658	0.9
53.03944	3.4
55.01870	2.4
55.05519	11.0
55.93908	1.1
57.03431	3.9
57.07065	2.9
60.63081	1.1
60.96992	1.0
67.05515	16.0
68.96326	1.6
69.03422	1.4
69.06731	1.3
69.07079	20.6
69.60715	2.4
69.61134	5.1
71.05009	8.2
72.72167	1.0
76.30993	0.9
79.05502	17.0
81.03423	15.1
81.07069	41.7
83.04977	3.1
83.08627	13.7
85.02885	1.3
85.06540	3.2
89.03933	5.6
89.06038	7.2
89.07886	1.0
91.05477	8.6
93.07054	26.9
95.04958	2.5
95.08617	53.4
97.06526	3.5
97.10192	5.1
98.04473	1.1
98.20779	1.2
99.04408	1.1
99.08108	12.6
105.07027	6.9
107.04963	9.1
107.08607	39.5
109.02900	9.0
109.06514	4.0
109.10170	10.8
109.98952	3.4
111.08086	4.4
111.11771	1.2
113.06000	1.2
113.09663	5.9
117.03403	17.1
117.07034	2.2
117.14005	1.0
119.08623	1.9
121.06520	3.0
121.10155	55.3
123.08092	2.0
123.11743	1.2
125.09639	5.0
127.03954	1.7
127.99936	1.6
130.96320	4.1
131.08563	3.1
133.02869	1.1
133.08612	1.9
133.10152	2.4
134.03613	2.6
135.04434	6.9
135.08096	1.5
135.10716	1.4
135.11703	16.4
137.09685	1.3
137.13264	13.7
139.07530	1.4
139.11160	3.1
145.02859	36.2
145.03975	1.6
148.97368	4.3
149.05978	9.2
149.09607	2.7
149.13255	10.1
152.25580	1.1
153.09102	1.5
153.97926	4.0
159.11699	5.5
162.03204	1.2
163.03928	15.0
163.07574	1.5
167.07104	1.4
171.98940	4.9
177.05495	44.9
177.07048	2.3
177.12973	5.1
177.16405	100.0
180.09259	1.0
186.05386	1.2
195.00923	1.0
195.02934	5.3
195.06471	2.5
195.08000	2.3
195.12077	1.8
195.13809	5.7
195.15749	1.7
195.17422	10.4
196.13345	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	195.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
53.83329	1.3
55.05276	2.1
55.05513	26.4
57.03437	7.8
57.07082	12.4
57.85252	1.2
59.04987	4.7
67.05513	25.7
68.96328	1.5
69.03422	3.8
69.07071	41.8
69.56830	8.1
71.04984	11.2
71.08626	3.1
77.03918	1.7
79.05498	23.3
81.03408	5.5
81.07059	75.4
83.05009	6.3
83.08158	1.5
83.08622	19.2
83.65807	1.3
85.06540	12.4
89.03911	2.6
91.05473	10.4
93.07047	55.7
95.04958	3.2
95.08610	100.0
97.06535	5.7
97.10178	17.8
98.20778	3.1
99.08106	12.4
103.05479	1.8
105.07021	7.9
107.04958	9.5
107.08597	75.3
109.02872	2.9
109.06544	3.3
109.10165	42.6
109.98924	1.5
111.08083	7.9
111.11718	6.0
113.09657	2.8
117.03385	6.7
119.08614	6.3
121.02872	1.8
121.06486	2.4
121.10146	81.0
123.11716	22.3
125.05961	1.8
125.09628	7.3
131.08531	1.7
133.10101	4.9
134.03651	1.3
135.04430	2.3
135.08083	8.8
135.10699	2.4
135.11694	35.3
137.09615	32.9
137.13251	18.3
139.07684	1.4
139.11211	8.1
145.02823	15.1
148.97318	1.4
149.05966	4.3
149.09561	1.4
149.13278	12.2
151.14847	6.4
153.12729	2.3
159.11703	4.8
163.03906	6.8
163.07495	1.6
165.16432	1.4
167.07045	2.3
171.98949	1.4
173.12779	1.3
177.05482	19.3
177.12817	13.7
177.16388	95.5
195.02939	1.4
195.06493	3.0
195.10188	3.5
195.13812	9.3
195.17465	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	195.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.2
55.05265	1.5
55.05514	18.0
57.03431	1.1
57.07068	4.4
62.16832	0.9
63.01343	1.1
67.05526	5.4
69.03437	9.9
69.07073	32.0
71.04998	6.4
79.05501	8.3
81.03411	3.1
81.07064	33.8
83.04980	2.3
83.08626	14.4
85.06541	4.8
89.06003	1.1
91.05479	4.0
93.07056	15.9
95.08616	49.9
97.10174	7.5
99.08100	55.4
99.83830	1.0
105.07032	3.2
107.04947	2.9
107.08601	37.7
109.06525	1.4
109.10156	13.1
111.08084	15.7
111.11722	3.0
113.09636	4.4
117.03376	2.2
119.08598	1.4
121.10152	64.7
123.11684	3.9
125.09638	31.0
126.16536	1.2
135.04420	1.4
135.11707	14.1
137.13274	19.1
139.11195	3.9
142.94452	1.2
145.02858	5.5
149.13286	5.9
151.14883	1.4
163.03857	1.7
177.05432	5.4
177.16399	100.0
195.15620	1.4
195.17451	25.9
202.88339	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1746
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03936	2.5
54.11046	1.2
55.01871	2.2
55.05515	33.5
57.03422	4.5
57.07084	18.1
59.04988	1.9
65.03915	1.4
67.05511	22.0
67.18112	1.1
69.03417	1.6
69.07075	46.1
71.04991	10.2
71.08631	3.2
77.38737	1.1
79.05067	1.8
79.05497	25.3
81.03403	5.3
81.07062	85.2
83.04951	2.9
83.08624	26.1
85.06550	15.8
85.10184	2.1
89.03925	6.7
89.05977	1.5
91.05466	11.1
93.07053	53.6
95.04963	1.9
95.08615	100.0
97.06530	3.9
97.10175	19.8
98.20726	2.6
99.08103	14.4
105.07033	7.1
107.04961	4.3
107.08603	77.3
109.02860	3.3
109.06528	1.5
109.10165	31.2
111.08080	4.6
111.11706	5.3
113.09673	2.5
117.03379	14.8
119.08604	2.3
121.06544	1.1
121.10155	84.7
123.11726	13.3
125.09641	4.0
130.96254	2.0
133.10100	1.6
134.03625	1.5
135.04427	1.6
135.11708	28.6
137.13258	21.0
139.11183	4.3
145.02867	25.8
149.05972	5.8
149.13264	9.1
151.14825	4.7
152.14378	1.3
153.12791	2.9
153.97887	1.7
161.69508	1.3
163.03897	3.6
167.07004	1.2
171.98909	1.2
177.05492	33.4
177.16406	94.0
183.67075	1.2
195.06531	2.7
195.17458	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	195.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01867	1.8
55.05267	1.0
55.05513	14.9
57.07061	2.8
67.05517	6.6
69.03141	0.6
69.03433	6.9
69.07069	29.1
69.57531	1.8
69.57926	2.8
71.04999	5.9
71.08604	0.9
79.05496	6.8
81.03404	1.9
81.07063	32.4
83.04966	1.4
83.08620	15.5
85.06564	4.2
91.05502	3.6
93.06477	1.2
93.07047	18.2
94.76627	0.7
95.04995	0.8
95.08612	54.2
97.06522	1.0
97.10181	8.2
99.08099	39.7
103.05486	1.5
105.07048	4.8
107.04961	9.7
107.08603	40.0
109.02859	1.1
109.06535	0.7
109.10162	10.7
111.08097	9.1
111.11705	2.5
113.09657	7.0
117.03357	1.4
119.08583	1.4
121.10149	64.1
123.11690	3.1
125.08759	1.4
125.09634	22.2
125.13297	0.9
135.08043	2.8
135.10695	1.0
135.11697	15.1
137.09605	1.9
137.12210	1.0
137.13260	16.0
139.11157	3.3
145.02844	3.1
149.05980	0.9
149.13284	4.8
153.01881	0.9
163.03883	1.1
163.07533	3.9
167.07083	3.6
177.05484	5.6
177.16396	100.0
188.47592	0.7
195.02866	0.9
195.04947	0.8
195.06496	3.8
195.10191	6.2
195.15639	1.0
195.17436	20.0
205.17422	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03942	6.5
55.01867	5.0
55.05521	18.8
57.03437	6.3
57.07081	2.3
58.50831	2.0
65.03933	3.8
67.05511	67.9
68.96320	2.8
69.03429	6.1
69.07069	15.5
71.04983	9.4
71.53697	3.3
73.01904	1.8
79.05497	48.0
81.03425	29.5
81.07066	100.0
83.04993	17.5
83.08620	15.8
85.02901	3.2
85.06551	6.0
89.03933	8.5
89.06039	29.2
91.05494	27.6
93.07050	73.8
95.04964	9.9
95.08609	40.6
97.06523	16.8
99.08126	5.1
105.07024	10.1
107.04964	4.4
107.08598	31.7
109.02882	9.6
109.06503	3.4
109.10126	5.3
109.98979	2.4
111.08101	8.5
113.09676	3.6
117.03387	18.8
117.07043	16.8
119.08624	2.9
121.06507	9.0
121.10153	17.5
123.08035	4.0
123.11684	2.8
130.96300	5.4
131.08597	17.1
131.96074	2.1
133.02872	3.3
133.08594	4.8
133.10121	17.6
134.03658	3.5
135.04446	5.9
135.08076	6.0
135.11732	26.3
139.11160	2.4
142.70547	2.0
145.02864	33.4
148.97366	4.9
149.05969	9.9
149.09654	3.1
149.13271	24.0
153.97922	6.9
159.11696	19.8
163.03925	65.4
164.04324	2.4
171.98909	3.3
177.05484	49.0
177.12752	14.3
177.16429	4.4
180.09299	2.9
195.02908	10.3
195.06586	2.8
195.11754	6.8
195.13824	34.9
195.15710	8.6
195.17278	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	195.1381
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03942	6.3
55.01857	4.5
55.05508	18.4
56.96569	8.2
57.03438	9.6
57.07074	3.6
58.20424	1.2
65.03943	3.1
67.05507	72.9
67.11481	1.3
68.96325	3.0
69.03421	4.6
69.07073	20.3
70.98108	3.8
71.01356	2.2
71.04978	7.7
71.54647	1.2
71.95245	1.8
73.02909	1.9
79.05498	43.0
81.03419	29.3
81.07059	100.0
83.04987	15.7
83.08620	13.8
85.02874	1.7
85.06521	5.4
86.83215	1.4
88.99145	1.8
89.03917	5.8
89.06030	20.5
91.05483	28.0
93.07043	68.0
94.90636	1.4
95.04969	9.1
95.08610	34.6
97.06531	15.3
97.10226	1.5
99.04371	1.4
99.08093	3.5
100.02511	1.3
103.05473	1.4
105.03379	1.4
105.04504	2.1
105.07046	14.8
107.04964	4.1
107.08594	31.1
109.02866	5.2
109.06522	5.9
109.10149	5.9
109.98936	3.7
111.04391	1.6
111.08087	7.7
112.99091	1.3
117.03394	15.6
117.07028	11.9
119.08558	3.9
121.06487	12.2
121.10152	14.3
123.08045	1.5
125.09644	2.3
130.96289	4.9
131.08566	15.0
133.02847	4.8
133.08574	3.6
133.10144	21.1
134.03645	2.9
135.04416	6.3
135.08040	6.0
135.11696	26.7
137.09645	1.6
139.11150	1.5
142.06386	1.7
145.02853	35.5
145.04002	2.1
148.97346	6.2
149.05981	8.6
149.09650	3.9
149.13264	23.1
151.06995	2.3
151.11165	2.1
153.09067	1.7
153.97908	5.7
159.11697	21.0
160.07492	2.1
163.03908	52.4
165.07014	1.8
167.08755	1.7
171.98935	4.8
172.98846	1.5
177.05479	48.1
177.08812	1.7
177.12720	15.1
177.16393	2.8
190.93628	1.3
195.01219	1.7
195.02913	11.5
195.06453	3.7
195.08385	1.4
195.10078	1.8
195.12010	3.2
195.13797	31.5
195.15697	6.1
195.17390	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03936	3.4
55.01878	3.8
55.05514	20.0
56.96555	2.5
57.03442	7.9
57.07061	1.9
64.92017	0.8
65.03932	2.2
67.05509	72.9
69.03416	2.3
69.06725	1.3
69.07073	18.3
70.14453	2.5
70.14838	1.4
71.01340	2.3
71.04994	7.2
73.02903	1.2
77.03902	1.0
77.99886	0.7
79.05498	41.2
81.03421	22.7
81.07062	100.0
81.68508	0.9
83.04987	19.4
83.08218	1.0
83.08622	13.3
85.06532	4.9
89.03938	1.2
89.06035	5.4
91.05486	31.9
93.07047	67.1
95.04990	5.9
95.08612	30.3
97.06538	13.0
97.10166	1.4
99.08091	3.3
105.04494	1.5
105.07032	12.2
107.04947	2.7
107.08600	28.0
109.02875	1.2
109.06521	3.1
109.10172	4.5
111.08084	5.4
113.06052	0.9
113.09566	0.9
117.03400	2.4
117.07027	13.1
119.08591	2.9
121.06509	9.8
121.10153	13.7
123.08078	0.8
123.11715	2.1
129.06956	0.8
130.07681	0.9
131.08577	14.7
133.08626	0.9
133.10139	18.5
135.04398	0.7
135.08054	4.0
135.11699	25.6
141.34277	0.8
144.09329	1.4
145.02853	4.9
147.11621	0.9
149.05986	1.3
149.09642	1.5
149.13264	22.2
151.11176	3.2
153.97876	1.0
159.11699	20.2
163.03889	8.5
177.05493	9.6
177.12738	11.9
195.02911	2.2
195.13821	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.56075	0.8
53.03930	4.2
55.01873	4.4
55.05275	1.3
55.05517	18.6
56.96547	1.8
57.03440	7.7
57.07062	3.6
59.04966	1.0
65.03925	2.3
67.05509	68.1
68.96320	1.0
69.03408	2.8
69.06728	1.6
69.07075	21.7
70.06626	0.9
71.01361	1.3
71.04981	8.7
71.53663	1.3
72.08150	1.0
77.03922	1.3
79.05498	42.7
81.03429	23.6
81.07061	100.0
83.04986	16.1
83.08622	12.5
84.08130	1.3
85.02883	2.4
85.06557	5.0
89.03900	3.5
89.06030	11.2
91.05485	31.1
93.07047	65.5
95.04967	7.4
95.08612	31.8
97.06539	12.6
97.10179	2.3
99.04464	1.4
99.08065	3.3
103.05440	1.0
105.04507	1.5
105.07037	10.8
107.04940	3.8
107.07873	1.7
107.08598	30.0
109.02876	3.7
109.06510	3.1
109.10146	4.8
109.98912	1.2
111.08088	7.6
113.05968	1.5
113.09679	1.4
117.03400	7.6
117.07013	12.4
119.08585	4.3
121.06529	8.3
121.10144	18.2
122.83395	0.9
123.08046	1.9
123.11696	1.7
125.09694	0.9
130.96313	2.4
131.08580	13.1
131.96109	0.9
132.37581	0.9
133.02847	1.2
133.08582	1.4
133.10144	17.6
134.03610	1.2
135.04388	3.5
135.08073	4.6
135.10695	1.6
135.11699	28.8
138.90347	0.8
139.11195	1.5
145.02849	15.2
145.10100	1.1
148.97339	2.7
149.05960	3.5
149.09630	1.9
149.13274	23.8
151.11183	3.2
153.97858	2.4
159.11716	19.5
162.03091	0.9
163.03915	26.3
163.11157	1.9
165.07033	1.4
171.98955	2.1
177.05496	22.3
177.06941	1.1
177.12715	14.2
177.16299	1.4
180.09355	1.3
186.05505	1.8
195.02893	4.5
195.06508	1.3
195.08266	1.9
195.11742	4.7
195.13799	23.3
195.15678	3.0
195.17218	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	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.38042	1.1
53.03953	6.1
55.01885	5.4
55.05517	20.0
57.03437	5.7
57.07068	3.2
65.03934	4.1
67.05510	74.4
69.03433	4.0
69.07069	14.6
69.71591	4.7
69.71999	2.3
71.01352	2.7
71.04997	14.1
73.02893	1.4
76.69779	1.4
77.03925	1.9
79.05015	1.7
79.05495	51.7
81.03425	24.9
81.07062	100.0
83.04987	31.2
83.08634	9.6
85.02906	1.8
85.06559	4.1
85.92233	1.2
89.03918	4.3
89.06048	10.9
91.05485	34.9
93.07050	71.9
95.04978	11.6
95.08615	44.0
95.09539	1.4
97.06538	15.3
99.04496	1.4
99.08094	2.7
101.05995	1.5
105.04498	1.3
105.07043	13.5
107.04951	3.5
107.08602	31.2
109.02877	6.2
109.06522	13.1
109.10162	6.8
109.98955	2.2
111.08086	7.8
115.05446	1.8
117.03404	10.1
117.07020	16.6
119.08588	3.3
121.02882	1.3
121.06540	7.3
121.10141	12.5
123.08081	2.9
123.11713	1.1
125.09696	1.7
130.96306	3.3
131.08580	18.8
133.02856	1.5
133.08594	2.1
133.10139	19.2
135.04477	5.2
135.08070	7.0
135.10690	2.2
135.11699	31.0
139.11137	1.6
145.02840	19.4
148.97296	2.5
149.06006	5.4
149.09669	2.0
149.13260	21.3
151.11143	2.7
153.09108	2.2
153.97923	2.3
159.11703	23.1
163.03908	31.5
165.06950	1.2
171.98985	2.6
177.05482	24.9
177.12761	17.1
177.16368	2.3
178.70975	1.2
180.09369	1.6
195.02904	5.5
195.08443	1.2
195.10104	2.3
195.11787	4.6
195.13829	34.0
195.15691	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	195.1381
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03950	7.1
55.01865	3.8
55.05516	25.3
55.71403	1.6
57.03443	13.6
57.07068	6.7
61.24943	1.4
64.62485	1.6
65.03934	1.4
65.17027	1.7
67.05510	32.3
69.03433	8.0
69.07075	50.1
69.92911	1.4
71.04999	18.8
71.33672	2.5
79.05499	65.3
81.03429	13.4
81.07064	64.5
82.07383	1.8
83.04971	6.4
83.08614	12.2
85.02941	2.5
85.06532	2.9
89.03908	4.8
89.06037	3.9
91.05488	41.3
93.07052	100.0
95.04977	14.4
95.08617	28.8
97.06544	8.4
103.05447	2.8
105.04520	2.5
105.07043	26.7
107.04964	13.3
107.08603	60.7
109.02893	7.4
109.06528	18.1
109.10172	4.1
109.98949	1.7
111.08079	3.1
115.05448	3.7
115.31126	1.5
116.58219	1.5
117.03390	11.8
117.07037	19.4
119.06068	2.5
119.08609	14.4
121.06520	17.0
121.10143	19.3
122.07288	2.2
123.08087	13.3
123.17676	1.7
125.05965	2.2
125.09653	1.9
127.03922	1.6
128.81676	1.6
129.07007	5.8
130.07794	3.8
130.96268	3.5
131.08575	27.7
133.02834	5.3
133.06511	61.0
133.07567	5.4
133.10115	10.6
135.04469	7.4
135.08067	11.0
135.11697	21.2
137.09538	1.8
144.09343	4.7
145.02858	18.8
148.08768	1.5
148.97368	3.8
149.05959	6.3
149.09555	3.2
149.13257	20.1
151.11136	1.8
153.97937	3.3
159.11690	20.0
163.03926	60.1
171.64876	1.7
171.98973	4.2
177.05486	30.6
177.09151	2.5
177.12781	14.5
177.16408	4.2
184.75369	1.6
194.79967	1.7
195.02893	4.2
195.06557	3.6
195.13814	7.3
195.15562	2.5
195.17361	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	195.1382
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03936	4.9
53.16512	1.0
55.01865	2.6
55.05516	14.9
57.03435	3.1
57.07079	1.6
65.03931	3.5
67.05506	98.0
69.03429	2.7
69.07072	19.0
69.79049	2.1
69.79446	3.7
71.04994	9.6
73.02906	2.0
79.05498	39.1
81.03426	9.6
81.07058	100.0
83.04978	7.7
83.08624	12.4
85.06532	6.6
87.94810	1.0
89.03907	2.6
91.04969	2.0
91.05489	23.7
93.07047	65.6
95.04980	6.9
95.08611	43.4
97.06528	19.1
97.10177	2.9
98.20837	2.4
99.04456	1.5
99.08087	3.7
105.07028	10.5
107.04967	5.9
107.08604	27.1
109.02877	4.0
109.06518	4.3
109.10140	4.8
109.81472	1.1
111.08080	7.2
113.05993	1.3
113.09669	2.0
117.03426	6.0
117.07014	16.2
117.48820	1.1
119.08588	1.8
121.02910	1.6
121.06499	4.4
121.10148	13.6
123.07985	1.3
123.11703	1.1
125.09621	1.2
130.96327	2.8
131.08578	15.7
133.10152	23.6
135.04439	3.4
135.08058	5.1
135.11703	42.7
135.12727	2.6
145.02869	12.3
149.05969	2.6
149.09567	3.2
149.13264	42.1
151.11220	5.5
153.97935	1.8
159.11693	38.7
162.39078	1.1
163.03882	6.4
167.08517	1.4
177.05466	17.7
177.12752	24.6
177.16322	5.9
195.02859	1.9
195.06575	1.4
195.11987	1.7
195.13826	32.3
195.15591	1.4
195.17386	2.6
196.13356	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.04746	0.9
53.03954	5.1
53.39758	1.2
54.47389	0.9
54.80280	1.1
55.01886	5.3
55.05516	19.3
57.03439	8.9
57.07063	2.9
59.04990	1.3
61.30676	0.9
61.31580	1.2
65.03926	2.9
65.65350	1.0
65.78497	1.0
66.43565	0.9
67.05509	78.6
68.96328	1.7
69.03415	4.2
69.06728	1.6
69.07072	23.6
70.06570	1.1
71.01342	2.4
71.05003	8.2
71.48895	1.2
72.40684	1.0
73.02915	1.6
79.05499	51.6
81.03421	30.4
81.07061	100.0
83.04993	19.3
83.08624	14.0
85.02903	2.2
85.06545	5.6
89.03918	3.1
89.06044	11.2
91.05486	34.3
93.07050	75.4
95.04979	9.3
95.08613	34.7
97.06536	16.5
97.10177	2.3
99.04436	1.4
99.08073	2.0
99.10728	1.0
100.02504	1.2
105.07033	14.7
107.04942	4.3
107.08598	35.0
108.04473	1.2
109.02874	4.7
109.06519	4.1
109.10165	6.1
109.98995	1.2
111.04433	1.5
111.08086	8.0
113.06039	1.5
113.09618	1.1
117.03389	9.6
117.07034	14.8
119.08567	4.4
121.06522	9.7
121.10148	20.3
123.08038	2.1
123.11691	2.3
125.06030	1.1
125.09624	1.3
127.07558	1.4
127.99858	1.2
129.07005	1.0
130.24536	1.0
130.96291	2.2
131.08583	16.4
133.02856	1.6
133.08575	3.5
133.10141	20.5
134.03627	1.1
135.04417	4.9
135.08095	5.7
135.10703	1.6
135.11696	32.8
139.07513	1.6
139.11177	1.2
145.02849	16.7
145.10095	3.2
148.97371	2.3
149.05989	4.5
149.09605	2.0
149.13271	29.1
151.11183	2.7
153.09102	1.2
153.97871	2.2
159.11697	19.1
163.03915	32.8
163.11150	2.8
177.05481	30.3
177.12740	13.3
177.16354	1.8
180.73132	1.0
186.05440	1.7
195.02943	5.4
195.08191	1.5
195.10065	2.1
195.12003	2.4
195.13799	27.9
195.15698	4.5
195.17358	6.2
196.13548	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03935	5.4
55.01860	4.3
55.05272	1.5
55.05516	20.0
57.03442	7.2
57.07063	3.5
58.90258	1.2
65.03948	2.0
65.58204	1.5
67.05509	70.7
69.03427	2.5
69.07069	19.0
69.21986	1.2
70.78898	2.2
70.79236	2.6
71.01347	1.8
71.05006	7.3
71.05309	1.3
73.02888	1.5
79.05497	44.2
81.03422	30.4
81.07063	100.0
81.70132	1.2
83.04990	17.3
83.08630	11.8
85.02912	1.8
85.06535	5.4
88.76376	1.3
89.03930	2.0
89.06028	6.1
91.05485	32.0
93.07051	64.5
95.04966	7.9
95.08616	32.9
97.06544	13.8
99.04438	1.6
99.08073	3.9
101.06046	1.5
105.04508	2.1
105.07036	12.4
107.04947	3.9
107.08601	27.6
109.02879	3.5
109.06541	3.5
109.10146	5.0
111.08123	7.1
113.06017	1.3
113.09633	1.3
117.03384	5.5
117.07026	14.9
119.08590	3.9
121.06498	8.7
121.10155	10.1
123.08051	2.5
123.11685	1.6
130.96326	2.6
131.08578	17.8
133.08612	1.5
133.10143	19.3
135.04424	2.3
135.08054	6.1
135.11699	25.8
137.09669	1.3
143.05380	1.5
145.02838	9.2
148.97411	1.6
149.05983	2.8
149.09634	1.7
149.13260	24.5
151.11188	3.1
153.97893	1.4
159.11716	20.8
163.03912	15.8
171.98944	2.0
177.05472	13.9
177.12730	12.6
195.00285	1.2
195.02859	2.5
195.13831	26.9
195.15619	1.7
206.71754	1.2
210.74062	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03934	5.7
53.58259	1.6
55.01855	4.8
55.05514	19.4
57.03440	6.7
57.07063	2.9
65.03922	2.2
66.60606	1.2
67.05511	80.0
69.03419	3.1
69.06734	1.3
69.07078	17.9
71.01315	1.8
71.05006	7.3
77.03931	1.9
77.62128	1.2
79.05499	48.0
81.02989	2.0
81.03426	28.3
81.07063	100.0
83.04988	26.5
83.08630	13.2
85.06530	5.2
89.03894	2.1
89.06018	4.1
91.05489	35.5
93.07050	62.0
95.04977	9.5
95.08607	35.6
97.06536	15.0
97.10133	1.7
99.08106	2.8
101.06029	1.4
105.07035	14.0
107.04955	3.5
107.08603	30.3
109.02855	2.4
109.06506	5.1
109.10143	4.7
111.08102	8.8
113.09650	1.4
117.03379	3.5
117.07014	14.7
119.08579	4.3
121.06525	11.0
121.10144	12.7
123.08096	1.8
123.11727	1.3
131.08577	16.7
133.10136	19.9
135.04356	1.8
135.08055	5.7
135.11714	28.1
138.88470	1.2
142.61040	1.2
144.09352	1.9
145.02869	8.6
149.05978	3.4
149.09621	2.2
149.12170	2.3
149.13266	22.8
151.11182	3.9
159.11700	22.7
161.69824	1.4
163.03918	13.3
177.05463	9.0
177.12788	12.5
195.02899	2.7
195.12047	1.7
195.13840	29.7
195.15598	1.9
197.44073	1.4
202.46182	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Clavularin A
Peak:m/z	Relative Intensity
52.37134	0.9
53.03942	1.6
55.01869	2.0
55.05511	4.9
57.03440	42.7
57.07072	1.8
67.05170	1.2
67.05507	13.7
68.96339	1.1
69.03421	1.2
69.07065	4.6
71.04975	1.9
71.26575	1.5
72.08165	1.1
74.10088	0.9
75.04475	2.4
79.05492	13.3
81.03426	10.4
81.07062	14.6
83.04977	3.1
83.08618	2.9
85.06553	7.5
89.03944	3.7
89.06030	4.4
91.05473	6.8
93.07050	19.1
95.04967	6.4
95.08607	20.5
97.06528	4.9
99.08089	4.3
101.70397	0.7
105.07052	4.5
107.04934	2.5
107.08594	9.8
109.02884	3.4
109.06504	3.1
109.10166	2.7
109.98957	1.9
111.08076	4.5
117.03375	8.1
117.07033	2.8
119.08592	3.0
121.06503	1.7
121.10149	8.8
123.08075	100.0
125.06001	1.5
130.96313	3.4
131.08606	3.7
131.96184	1.1
133.02870	1.7
133.06488	2.0
133.10149	2.0
134.03651	1.2
135.04437	5.1
135.08060	3.2
135.11714	5.7
137.09666	1.5
137.13269	0.9
139.11159	3.6
145.02861	12.7
148.97362	2.2
149.05978	3.2
149.09596	0.9
149.13289	5.1
150.51808	1.2
153.97890	3.3
159.11626	4.1
159.52504	1.7
163.03914	29.4
163.07655	0.7
165.06993	1.5
167.07092	1.0
171.98952	2.6
172.02831	6.6
177.05476	18.3
177.12753	7.1
177.16409	4.6
180.09377	0.9
181.03362	10.2
181.53619	1.2
183.10155	0.8
183.53653	1.1
192.54176	1.7
195.02921	1.6
195.06487	2.3
195.08105	1.4
195.11790	2.9
195.13821	8.9
195.15695	1.8
195.17349	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.26062	0.4
53.03940	1.1
55.54859	0.4
63.02378	0.6
67.05534	0.4
68.96337	1.3
69.03452	1.0
69.88284	2.0
70.94270	0.6
71.05024	0.9
78.04726	1.0
79.05479	0.9
79.42650	0.4
81.03419	13.8
84.08148	0.5
85.02908	1.3
89.03920	16.9
89.06047	0.8
91.05476	2.0
93.03423	0.5
93.07034	0.8
95.04985	0.9
99.04447	0.6
102.39996	0.4
103.05447	0.9
104.32311	0.4
106.04179	1.7
107.04955	1.6
107.08611	0.6
109.02879	8.3
109.98933	0.9
117.03382	40.4
121.06499	1.6
127.03864	0.6
130.96300	2.8
133.05251	0.4
134.03642	5.4
135.04440	4.4
145.02849	74.8
147.04419	0.5
148.97372	1.6
149.05984	18.8
149.09592	0.5
153.05515	0.9
153.97888	2.0
162.03108	1.6
163.03912	7.7
171.98982	2.1
174.92404	0.4
177.05472	100.0
177.54532	0.4
186.05542	0.6
195.02873	1.0
195.06516	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	195.0655
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03950	1.2
55.01877	0.8
55.05516	3.3
57.03442	0.9
57.07083	2.1
59.05006	0.7
61.04433	0.4
63.02364	0.6
65.03504	0.4
65.03941	0.5
67.05508	5.4
68.96325	0.7
69.03439	1.3
69.07072	5.6
69.58454	2.6
70.29473	0.4
71.05005	2.2
71.49997	0.4
72.10820	0.4
77.03970	0.5
78.04689	0.7
79.05493	5.8
81.03426	5.0
81.07062	11.5
83.04985	1.6
83.08624	2.1
85.02899	1.1
85.06548	1.7
89.03920	17.5
89.06045	0.9
91.05486	4.6
93.07045	9.8
95.04977	1.2
95.08610	14.0
97.06541	1.8
97.10179	1.7
99.08102	2.0
103.05499	2.1
105.07051	2.8
106.04186	1.6
106.07343	0.5
107.04968	3.9
107.08599	10.7
109.02886	3.8
109.06530	1.0
109.10150	5.4
109.99007	0.9
111.08130	1.0
111.11721	0.7
117.03386	39.5
117.07018	0.9
119.05997	0.4
119.08607	1.2
121.02930	0.5
121.06520	2.1
121.10144	10.6
123.08060	0.7
123.11734	3.4
124.05200	0.6
125.05997	1.1
125.09633	0.9
130.96318	1.6
131.08597	1.7
133.10092	1.5
134.03635	6.2
135.04442	4.9
135.08093	1.9
135.11697	9.1
137.05930	0.4
137.09613	4.8
137.13254	2.5
139.11151	1.0
145.02855	75.1
148.97357	1.6
149.05986	18.2
149.09637	0.7
149.13295	2.8
151.14888	1.1
153.05441	1.0
153.97868	1.1
159.11653	2.3
162.03125	1.7
163.03922	11.1
165.16469	0.6
167.07071	1.1
171.98994	1.3
177.05479	100.0
177.12781	4.2
177.16403	10.8
177.17984	0.3
178.05865	0.4
186.05533	1.8
195.02919	1.7
195.06575	2.2
195.08147	0.6
195.13756	2.5
195.15770	0.5
195.17450	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	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03939	1.0
55.05510	0.5
59.79440	0.4
63.02401	0.4
65.03957	0.5
66.07244	0.4
67.05494	0.7
68.96346	0.5
69.03436	0.6
69.07061	0.4
70.44516	0.4
70.67651	1.1
70.90907	0.5
71.04994	0.9
79.05490	1.7
81.03427	6.6
81.07047	1.3
85.02922	0.7
89.03922	17.2
89.06001	0.7
89.30507	0.5
91.05482	2.9
93.07060	1.4
95.04936	0.9
95.08619	0.8
97.06520	0.6
97.07667	0.7
103.05486	1.0
105.06999	0.6
106.04174	0.9
107.04967	2.9
107.08596	0.6
109.02888	4.2
109.98980	1.3
117.03385	38.0
121.06496	1.9
121.10145	1.0
125.05982	0.5
130.96312	3.3
131.08562	0.5
133.08649	0.5
134.03618	5.3
135.04393	4.0
135.08034	1.0
135.11717	1.7
137.05986	1.5
137.09610	0.6
145.02852	71.8
148.97374	1.2
149.05992	18.2
149.09625	0.7
153.05505	0.6
153.97871	1.7
156.08051	0.4
162.03131	1.8
163.03899	10.3
167.06973	0.7
171.98961	2.1
177.05478	100.0
180.07709	0.5
186.05550	1.2
195.02864	1.4
195.05260	0.8
195.06561	1.4
195.08151	0.5
195.10193	1.3
195.13747	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03933	0.4
55.05524	0.8
60.22605	0.4
62.01590	0.6
63.02389	0.6
68.96331	0.6
69.03413	0.6
69.07068	1.1
70.48299	0.5
70.48639	0.9
71.04999	0.5
78.04707	0.8
79.05502	1.7
81.03421	4.2
81.07063	1.8
83.08611	0.4
89.03924	16.8
89.06017	0.6
89.52540	0.4
91.05483	2.7
93.07038	1.9
95.04977	0.5
95.08606	1.4
96.47416	0.4
99.08135	0.4
103.05463	1.2
105.07009	0.7
106.04177	1.5
107.04964	2.1
107.08612	1.7
109.02866	2.8
109.10184	0.4
111.08088	0.7
117.03387	38.0
121.02850	0.4
121.06493	1.0
121.10148	1.6
124.05193	0.5
125.06027	0.7
125.09619	0.5
127.03904	0.7
130.96309	1.5
134.03650	5.9
135.04440	3.8
135.08041	0.6
135.11728	1.1
139.05080	0.4
145.02855	71.8
147.04483	0.5
148.97311	0.4
149.05986	17.4
149.09567	0.6
149.13293	0.6
151.07516	0.4
153.01862	0.9
153.05487	1.1
162.03136	1.4
163.03918	8.0
163.07594	0.5
177.05481	100.0
177.16437	2.6
186.05562	0.8
195.02930	0.6
195.06548	2.8
195.10133	1.0
195.13712	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0532
Annotation	Unknow
Peak:m/z	Relative Intensity
70.56187	2.0
73.07693	1.1
81.03439	1.5
84.64101	1.0
95.05850	1.2
103.07648	1.1
104.52852	1.1
122.06808	1.0
177.06332	5.1
178.80852	1.1
195.05341	100.0
195.07179	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	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.74718	0.4
53.03950	0.7
60.70087	0.3
63.02369	0.7
65.01766	0.3
65.03952	0.6
66.22381	0.4
67.05476	0.4
68.96323	0.7
69.07085	0.4
70.92324	0.8
70.92663	0.5
71.04996	0.8
77.03954	0.4
77.14233	0.3
78.04716	1.1
79.05495	1.1
81.03428	5.6
81.07079	0.7
85.02901	0.9
89.03928	18.7
91.05486	1.9
93.07059	1.0
93.58251	0.4
95.05001	1.0
103.05481	0.7
106.04191	1.0
107.04968	1.0
107.08608	0.7
109.02898	3.0
109.98945	0.9
111.04462	0.4
117.03394	38.1
119.04952	0.4
121.02831	0.5
121.06496	1.0
125.06037	0.9
130.96309	1.2
131.08551	0.4
134.03654	6.9
135.04420	2.7
135.08057	0.5
145.02861	73.3
147.04482	0.5
148.60262	0.4
148.97342	0.8
149.05998	19.5
151.09361	0.4
153.05533	0.6
153.97931	1.4
162.03152	1.7
163.03940	8.1
171.98985	0.9
172.20961	0.4
177.05486	100.0
186.80212	0.5
195.02911	1.6
195.06607	1.8
195.10208	0.5
209.68356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.02360	0.8
52.54518	0.7
53.03952	4.9
55.01878	5.3
55.05514	19.0
57.03438	4.7
57.07086	2.7
57.40202	0.7
59.05008	2.0
61.23753	0.7
65.03949	3.8
65.29377	0.6
67.05509	39.4
69.03434	4.9
69.07072	11.1
71.04996	5.5
71.53663	1.2
77.03945	1.1
79.05498	27.6
81.03422	100.0
81.07060	33.3
83.04990	13.2
83.08625	16.2
85.02934	1.0
85.06546	9.1
87.04453	0.8
91.05487	33.4
93.07053	30.2
95.04974	45.2
95.08608	27.5
96.09163	0.7
97.02916	2.3
97.06551	3.8
97.10176	2.3
98.97607	1.1
99.08100	44.4
103.05453	5.6
105.03400	2.0
105.07035	60.4
107.04964	8.3
107.08601	26.2
109.06525	9.8
109.10160	29.9
111.04448	1.9
111.08089	5.9
113.09633	0.7
115.05455	7.3
117.07024	1.9
118.04164	3.4
119.04947	1.6
119.08587	39.0
121.06496	3.0
121.10155	11.3
122.04666	0.8
123.04431	1.7
123.08051	7.7
123.11694	5.7
125.09644	1.5
129.07025	7.8
131.08575	13.4
133.02888	6.1
133.06502	30.8
133.10135	62.7
135.04445	1.2
135.08083	1.6
135.11702	31.2
137.05984	2.6
137.09622	15.2
142.07770	2.9
143.05991	2.2
145.10118	1.3
146.97404	0.9
147.04416	0.8
147.08046	4.8
147.11697	16.9
149.02313	5.0
149.03343	0.8
149.09653	6.2
149.13271	6.5
151.07559	1.6
151.11192	5.3
151.14796	1.2
157.10123	7.5
158.02725	0.8
158.99631	1.0
161.02235	0.8
161.05989	30.9
165.05452	2.2
165.09169	1.3
165.12776	1.0
165.16437	1.4
175.07544	3.2
175.11214	11.2
175.14836	31.0
177.00591	0.9
178.02661	4.4
193.03607	0.6
193.04968	25.7
193.08620	9.7
193.12251	20.3
193.15894	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03934	1.7
55.01860	2.9
55.05272	1.0
55.05511	12.6
57.03424	1.8
57.07065	3.1
59.04982	3.2
65.03937	2.1
67.05505	25.1
69.03416	2.4
69.07069	8.6
69.54780	6.3
71.04991	2.4
79.05490	16.3
81.03419	39.6
81.07060	19.4
83.04991	4.5
83.08621	7.5
85.06541	17.0
91.05486	12.7
93.06469	1.5
93.07040	21.6
95.04974	18.1
95.08611	18.8
96.13493	0.9
97.06515	1.4
97.10183	1.7
99.08097	100.0
102.78240	0.8
103.05445	1.0
105.07038	23.9
107.04956	3.2
107.08601	21.0
108.05273	0.9
109.06538	7.3
109.10159	38.6
111.08075	1.9
115.05424	2.5
117.07065	1.0
119.05997	1.2
119.08581	17.8
121.06526	1.6
121.10146	7.6
122.31941	0.9
123.08076	7.6
123.11711	5.9
125.09623	1.4
129.06985	3.1
131.08607	4.3
133.02838	2.6
133.06512	11.8
133.10132	26.3
135.11691	24.9
137.09621	14.8
138.10426	1.3
143.06134	1.0
146.78169	1.0
147.08038	2.7
147.11694	5.9
149.02383	1.1
149.09612	2.1
149.13269	3.7
151.11215	6.1
151.14827	2.1
157.10124	2.7
161.05966	11.0
165.16388	2.6
174.96983	0.8
175.11191	3.8
175.14824	14.6
178.02705	1.0
183.05937	0.9
193.04965	9.2
193.08588	4.3
193.12271	8.3
193.15889	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	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
55.01885	1.6
55.05270	1.9
55.05514	25.2
57.03433	3.4
57.07067	4.9
57.41236	1.3
59.04996	6.3
65.03924	2.0
67.05508	39.0
69.03421	3.7
69.07079	10.4
69.95486	6.6
71.04999	2.6
79.05496	9.8
81.03404	2.0
81.07062	25.8
81.12434	1.4
83.04985	35.1
83.08599	3.7
85.06546	13.4
85.15070	1.4
91.05496	11.6
93.07053	31.3
95.04960	8.7
95.08608	29.3
97.06516	2.8
99.08102	26.6
105.07030	20.1
107.08606	34.8
109.06528	12.6
109.10162	81.8
111.08065	4.7
115.05478	2.3
117.07069	1.5
119.08580	22.1
121.10143	18.9
123.08081	10.0
123.11745	9.1
125.09607	1.7
133.02888	4.1
133.06480	5.9
133.10136	39.3
135.11699	51.3
137.05984	2.7
137.09624	100.0
147.11705	3.9
149.13194	3.6
150.03169	2.2
151.11176	5.5
151.14799	2.6
161.06007	5.5
161.88039	1.4
164.81050	1.7
165.05495	2.8
165.09140	2.1
165.16403	5.9
175.14850	26.9
175.76308	1.5
178.02628	3.7
193.04970	17.8
193.08653	3.0
193.15894	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	193.1589
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
52.85142	1.6
55.05513	13.7
55.58702	1.6
57.07058	2.5
67.05493	7.8
69.06730	2.3
69.07074	33.8
70.70436	4.9
71.05000	16.1
79.05487	7.7
81.07066	17.8
83.08610	2.6
85.06570	14.2
91.05472	7.2
93.07050	27.5
95.04977	31.9
95.08612	20.7
97.06524	5.7
97.10173	14.8
99.08087	4.8
105.07021	11.6
107.08611	37.1
109.06528	100.0
109.10168	19.4
111.08073	7.7
119.08588	29.5
121.10146	7.9
123.08056	7.4
123.11721	26.4
133.09264	2.2
133.10159	25.3
135.11703	43.2
137.09628	15.0
147.11668	3.6
149.13284	11.9
151.11195	6.9
151.14859	1.9
164.88892	1.8
175.14850	52.4
193.15892	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	193.1589
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
55.05265	1.8
55.05516	22.2
57.07063	5.1
59.05001	5.1
60.80457	1.2
67.05185	1.9
67.05511	28.3
69.03410	1.4
69.07066	8.6
71.04996	3.4
71.44138	1.9
77.74323	1.4
79.05135	1.4
79.05503	15.5
81.03403	5.1
81.07069	18.8
83.04993	8.1
83.08603	4.8
85.06081	1.9
85.06553	22.8
91.05485	8.9
93.06480	2.6
93.07053	39.3
95.04973	4.5
95.08619	26.0
97.06526	3.2
99.08106	100.0
105.07046	13.7
107.08608	35.7
109.06512	7.7
109.10167	64.4
111.08086	4.4
115.05379	1.8
119.08592	16.9
121.10159	16.7
123.08103	7.4
123.11725	8.9
133.06488	2.9
133.10143	41.4
135.10695	2.9
135.11703	49.5
135.12724	2.7
137.09628	27.5
138.10397	2.3
147.11717	3.2
149.13283	3.7
151.11166	7.9
151.14827	5.1
161.05957	3.3
165.16409	2.2
175.14864	21.7
193.05063	1.8
193.08601	1.5
193.15900	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	193.159
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03927	1.7
53.26738	1.5
55.05518	16.3
57.07078	3.8
59.05004	3.6
67.05506	19.5
69.03424	5.0
69.06494	1.3
69.07080	21.0
70.16090	1.2
71.05004	7.4
71.10640	3.5
77.20138	1.3
79.05498	12.1
81.03405	4.0
81.06587	2.6
81.07062	43.6
83.04980	7.8
83.08619	9.0
85.06539	5.9
91.05479	13.2
93.06483	2.2
93.07054	40.1
95.04971	7.9
95.08617	63.4
97.06544	8.8
97.10162	5.1
99.08121	6.8
103.05479	1.4
105.07039	43.8
107.08604	43.6
109.06538	24.0
109.10171	37.0
111.08101	7.7
115.05442	3.3
117.07041	1.5
119.08593	68.9
121.10137	14.5
123.08064	17.1
123.11718	25.2
125.09632	1.6
131.08611	2.1
133.06519	8.7
133.09125	2.3
133.10136	42.8
133.11102	2.9
134.88826	1.3
135.10695	2.9
135.11700	45.4
137.09624	18.4
147.11674	11.2
149.13274	28.7
151.11243	8.0
151.14822	6.3
161.05981	11.2
175.14844	68.8
193.08589	2.3
193.15895	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03947	2.0
55.01862	2.6
55.05514	21.8
55.59367	0.8
57.03434	2.3
57.07068	2.6
58.99588	1.0
59.04994	2.7
65.03953	1.2
67.05509	31.7
69.03413	3.5
69.07076	11.5
69.75256	4.3
71.05000	5.7
72.01600	0.8
76.02219	1.8
79.05499	20.1
81.03425	34.2
81.07062	21.3
83.01343	0.9
83.04990	20.1
83.08622	6.8
85.02894	1.0
85.06551	8.7
87.04461	2.0
91.05488	43.8
93.06480	1.4
93.07049	28.2
95.04977	18.9
95.08614	20.4
97.02886	0.8
97.06528	2.3
98.20647	1.0
99.08098	19.1
103.05458	1.8
105.04486	0.9
105.07038	38.8
107.04935	4.7
107.08607	29.5
109.06544	9.3
109.10163	42.3
111.04439	1.6
111.08078	3.2
113.09669	0.8
115.05470	3.4
117.07011	2.0
119.08589	32.3
121.10153	14.1
123.08075	8.6
123.11703	6.9
125.06020	1.6
125.09692	1.0
128.06284	0.9
129.07002	3.7
131.08586	11.8
133.02802	1.6
133.06508	14.6
133.10139	100.0
135.11703	36.7
137.05984	1.8
137.09625	37.5
142.07774	1.5
143.06015	0.9
145.10114	1.9
147.04436	1.2
147.08037	3.6
147.11696	18.2
149.09644	8.7
149.13268	2.7
151.07536	1.4
151.11208	4.5
151.14828	3.6
157.10118	3.3
158.02675	1.2
161.05997	10.0
165.12738	1.6
165.16399	1.9
175.07489	1.6
175.11221	15.3
175.14836	23.5
178.02603	1.9
180.85301	0.8
193.04976	15.0
193.08638	6.3
193.10371	1.3
193.12244	21.5
193.15894	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	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.20528	1.8
53.03941	4.6
55.01874	8.7
55.05512	13.2
57.03439	8.6
57.07064	6.8
59.05010	2.8
65.03951	3.8
67.05507	77.0
69.03426	9.7
69.07072	22.4
70.66060	4.7
71.04985	7.4
71.98897	1.8
79.05498	61.9
81.03420	11.7
81.07061	77.3
83.01320	3.0
83.04985	18.1
83.08620	5.2
85.02895	2.1
85.06537	5.3
85.61423	2.0
91.05489	100.0
93.06469	3.4
93.07043	49.3
95.04979	20.5
95.08617	38.5
97.02889	25.7
97.06538	19.6
99.08089	4.4
103.05455	2.2
105.07037	89.2
107.04957	8.4
107.08589	23.7
109.05880	2.4
109.06529	20.2
109.10152	9.7
111.04452	5.4
111.08081	3.8
113.06013	5.4
115.05441	6.9
117.07032	2.8
119.08588	62.7
121.06519	4.8
121.10145	17.7
123.04440	3.5
123.08104	9.6
123.11680	3.0
125.06012	5.5
125.28632	1.7
127.07574	2.3
128.98647	1.7
129.07011	19.4
131.08574	22.5
133.02840	3.8
133.06511	17.7
133.10135	91.8
135.11649	12.8
137.05991	5.2
137.09601	4.7
137.91853	1.9
142.07715	4.4
145.10120	3.6
146.97398	2.7
147.04401	2.2
147.08044	9.1
147.11697	97.3
149.02335	4.5
149.09645	10.3
149.13217	1.9
151.07568	4.2
151.11230	4.9
157.10129	39.6
161.06044	12.1
161.09674	2.5
165.05559	1.9
165.12741	20.1
175.03970	2.0
175.11195	59.9
175.14769	11.3
178.02565	2.6
193.04967	20.7
193.08582	4.5
193.10410	2.8
193.12254	86.9
193.15836	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	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
52.34139	1.4
53.03946	8.7
55.01868	5.7
55.05516	11.1
57.03430	4.7
65.03931	2.3
66.52259	1.6
67.05178	3.0
67.05511	44.9
69.03432	4.3
69.07068	7.0
71.04957	10.8
73.82278	1.6
73.88219	1.4
77.03889	1.8
79.05063	3.0
79.05498	43.5
81.03423	100.0
81.07059	30.0
83.05008	9.0
83.08623	14.0
85.02905	3.0
85.06538	4.6
91.05487	74.6
93.07047	49.6
95.04372	2.7
95.04974	49.2
95.08604	6.3
97.02893	2.4
97.06535	8.2
97.10136	2.1
99.08089	2.5
105.04498	1.6
105.06390	3.0
105.07037	37.4
107.04961	10.4
107.08584	6.3
109.06517	7.2
109.10207	3.2
111.04453	3.4
111.08079	4.3
113.06025	1.8
115.05474	4.8
117.07040	3.8
119.04927	2.6
119.08591	29.3
121.06484	2.8
121.10140	7.4
128.06238	1.8
129.07011	23.0
131.08577	27.8
133.06520	8.8
133.10143	94.0
135.11690	6.6
142.07793	6.1
147.08037	9.0
147.11693	37.8
149.09625	30.4
151.11179	1.5
157.10132	33.5
161.05968	2.4
175.11194	44.5
175.14825	5.3
193.12260	52.6
193.15935	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	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
50.01602	0.4
51.02394	0.4
53.03948	3.2
55.01875	3.3
55.05512	7.9
57.03443	3.2
57.07070	0.5
65.03941	1.7
67.05509	25.8
69.03436	2.6
69.07069	3.9
69.41803	1.6
69.42220	1.0
71.01349	0.9
71.04995	1.5
73.02953	0.4
76.66458	0.3
77.03928	0.6
79.05497	19.3
80.19319	0.3
81.03422	100.0
81.07057	14.8
83.01330	0.4
83.04985	4.7
83.08147	0.8
83.08625	12.2
85.02960	0.4
85.06544	1.3
91.05486	24.5
93.07047	10.8
95.04974	38.7
95.08604	4.2
97.02892	1.6
97.06522	2.4
97.10174	0.5
99.08102	1.9
103.05463	1.4
105.04518	0.8
105.07037	23.4
107.04962	8.9
107.08604	5.9
109.06528	4.4
109.10143	2.7
109.74374	0.3
111.04454	1.7
111.08076	3.6
113.06031	0.5
115.05489	3.6
117.07031	2.0
118.04138	0.5
119.04926	0.9
119.08583	13.9
121.06518	1.5
121.10152	6.6
123.04465	0.4
123.08057	1.7
123.11710	0.9
128.06197	0.9
129.06042	0.5
129.07011	9.8
131.07607	0.5
131.08575	9.8
132.05795	0.5
133.06506	9.6
133.10138	17.9
135.08099	0.4
135.11740	2.5
137.09633	2.7
142.07788	2.9
143.05928	0.5
145.10123	0.9
147.08070	4.5
147.11696	16.2
149.02368	0.4
149.09625	7.9
149.13260	0.5
151.11189	0.6
152.30403	0.4
157.10135	10.9
161.06010	5.7
165.12767	2.7
175.07689	0.5
175.11200	14.6
175.14742	2.7
183.29315	0.4
193.04976	7.2
193.08632	2.8
193.12257	21.5
193.15877	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	193.1225
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.60952	0.3
53.03953	3.5
55.01873	3.2
55.05514	7.7
57.03442	2.4
57.07086	0.3
64.64363	0.3
65.03944	2.0
65.04225	0.3
66.27345	0.3
67.05509	22.6
67.25450	0.3
69.03435	2.2
69.07072	2.8
69.27773	2.2
70.08353	0.2
71.04992	1.8
77.03919	0.5
79.05498	16.0
81.03422	100.0
81.07059	13.0
83.04984	4.0
83.05773	0.3
83.08624	12.8
85.02898	0.4
85.06545	1.4
91.05483	17.9
92.26339	0.3
93.07048	8.4
95.04973	37.8
95.08620	2.7
97.02885	2.0
97.06547	1.2
97.10168	0.7
99.08104	4.3
103.05464	1.1
105.04562	0.4
105.07039	14.4
107.04957	7.4
107.08596	4.4
109.06528	2.7
109.10167	2.7
111.04430	1.5
111.08072	2.8
115.05486	2.3
117.07010	1.2
118.04173	0.6
119.04964	0.7
119.08586	9.9
121.06495	2.0
121.10145	3.6
123.04430	0.6
123.08083	1.8
125.09619	0.4
128.06235	0.8
129.07013	8.6
131.08585	7.1
133.06503	6.8
133.09216	0.6
133.10135	4.9
133.13228	0.3
135.11693	1.9
137.09616	2.0
141.06978	0.5
142.07774	2.4
143.06044	0.5
145.10109	0.8
147.08070	3.9
147.11700	5.3
149.09621	3.7
151.11186	0.6
157.10132	5.8
161.05989	5.0
165.12802	1.0
175.09766	0.5
175.11209	6.2
175.14798	1.1
193.05019	0.9
193.08591	1.6
193.12253	12.2
193.15915	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	193.1226
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03944	8.0
55.01866	4.9
55.05508	9.0
57.03443	76.9
67.05511	24.3
69.03413	3.0
69.07064	2.7
70.00459	10.9
75.04475	3.0
79.05498	27.4
81.03425	89.8
81.07071	18.5
83.05019	5.8
83.08621	9.9
85.06561	5.0
91.05492	63.9
93.07063	58.7
95.04980	38.3
95.08607	7.0
97.06567	5.6
98.21407	3.7
103.05485	9.0
105.04502	3.0
105.07040	100.0
107.04977	9.1
107.08612	7.4
109.06531	9.3
109.10143	11.7
115.05458	17.4
117.07027	9.5
118.04186	3.4
119.04966	4.0
119.08599	83.5
120.05273	5.9
121.06523	44.4
121.10172	5.6
123.08025	4.0
129.06999	7.2
131.04932	5.1
131.08586	9.4
132.05675	3.3
133.06503	62.5
133.10139	25.9
135.08063	6.7
135.11702	2.6
137.05881	2.5
137.09642	23.1
140.76886	2.7
142.07791	8.0
143.06067	7.4
144.57460	2.4
145.06511	2.8
146.07256	10.1
147.08061	28.5
147.11700	37.1
149.09616	4.6
157.10153	12.4
160.08838	4.1
161.06000	77.5
164.11401	2.6
175.11215	48.7
175.14803	4.5
184.65260	2.5
186.59872	2.6
193.04958	7.4
193.08673	12.2
193.12277	23.3
193.14050	4.4
193.15855	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	193.1226
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03953	1.2
55.01882	1.4
55.05257	0.5
55.05514	4.5
57.03436	0.7
57.07077	0.6
59.05012	0.4
64.91319	0.3
65.03953	1.0
66.26163	0.3
67.01869	2.6
67.05508	10.5
68.29694	0.4
68.99802	1.1
69.03430	1.3
69.07072	3.0
71.04996	3.0
71.19770	0.6
76.02236	0.7
79.05496	11.0
81.03422	12.6
81.07059	8.5
83.04983	4.0
83.08626	2.5
85.02913	1.3
85.06551	3.0
87.04471	1.8
91.05486	31.9
93.07051	9.4
95.04973	6.5
95.08610	5.1
97.02926	0.4
97.06538	1.3
99.08099	4.6
103.05489	0.9
105.07039	25.7
107.04966	2.6
107.08599	7.8
108.96384	0.3
109.02898	0.4
109.06506	2.9
109.10160	6.1
111.04465	0.5
111.08085	0.9
115.05476	1.8
117.07030	1.0
117.98659	0.3
118.04175	0.6
119.04918	0.5
119.08591	11.8
121.06528	1.2
121.10149	3.2
123.04377	0.4
123.08100	1.9
123.11703	1.1
125.05999	2.5
127.03944	0.5
128.06250	0.5
129.07059	2.7
131.08574	7.6
133.02940	0.5
133.06506	11.2
133.10136	56.6
134.10434	0.5
135.08119	0.5
135.11716	4.9
137.05984	0.8
137.09624	4.6
142.07794	1.0
145.10143	1.6
147.04427	1.8
147.08052	2.9
147.11696	12.6
149.09630	8.8
149.13301	0.9
151.03922	1.2
151.07607	0.7
151.11183	2.9
153.01840	1.8
157.10126	2.9
158.02773	0.6
161.05995	5.2
165.05505	0.6
165.12764	1.5
169.04979	1.1
175.03908	0.8
175.07640	0.5
175.11189	15.1
175.14807	5.3
178.02695	0.8
193.04974	100.0
193.12250	13.7
193.15900	7.3
194.05305	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.61053	0.9
53.03949	0.9
55.01881	1.1
55.05511	4.9
57.03434	1.9
57.07070	2.4
57.94563	0.9
59.05003	1.6
60.30159	0.9
65.80880	0.8
67.05523	5.9
69.03424	6.1
69.07076	7.7
71.05001	4.1
71.43108	2.0
79.05494	6.5
81.07061	11.1
83.04974	3.7
83.08614	3.1
85.06546	6.0
86.03549	2.5
89.03887	0.9
91.05486	18.5
93.07051	13.2
95.04960	3.9
95.08617	12.0
97.06531	6.3
98.97581	1.2
99.08104	1.4
103.03949	4.7
103.05456	3.4
105.07039	33.6
107.04945	3.0
107.08595	28.1
107.79452	0.8
109.06540	5.4
109.10155	6.8
111.08060	2.4
115.05444	2.4
116.06213	0.9
117.07021	6.5
119.08595	13.8
121.06510	8.1
121.10149	17.0
123.08084	2.9
129.07005	3.3
130.07800	2.1
131.04933	2.6
131.08583	42.5
131.73943	0.9
133.10139	100.0
135.08052	12.2
135.11697	5.3
143.08594	4.9
144.09332	2.2
145.10121	19.5
147.11705	15.2
148.06047	2.1
149.09636	22.8
149.13254	12.3
158.10941	8.4
159.08093	1.0
161.09657	1.0
163.07581	3.8
163.11203	3.3
163.14813	3.8
171.11780	1.0
173.06027	1.1
173.09679	1.7
173.13271	46.1
191.06891	5.3
191.10699	8.3
191.14316	52.5
194.08701	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0498
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
53.03945	0.3
55.01870	0.4
55.05513	1.3
57.03436	0.3
57.07079	0.3
59.05009	0.2
62.83688	0.1
65.03952	0.4
67.01865	2.0
67.05171	0.3
67.05507	3.3
68.99792	1.0
69.03419	0.5
69.07065	0.7
70.69086	0.4
71.04977	0.7
76.02234	0.3
79.05133	0.2
79.05505	2.3
81.02989	0.3
81.03431	3.4
81.07059	2.6
83.04989	1.1
83.08617	0.9
85.02917	1.3
85.06564	0.8
85.29092	0.1
87.62920	0.2
90.05563	0.2
91.05489	8.0
93.07048	2.6
95.04968	1.8
95.08620	1.4
97.06586	0.2
99.08102	2.9
102.71751	0.2
103.05470	0.5
105.03383	0.2
105.07040	6.5
107.04956	0.7
107.08609	2.1
109.02890	0.4
109.06523	0.8
109.10164	2.3
111.08091	0.3
115.05437	0.5
116.58201	0.1
117.07017	0.4
118.84906	0.2
119.04957	0.5
119.08589	2.7
121.10141	0.7
123.08079	0.5
123.11737	0.3
125.06010	1.5
127.03928	0.8
129.07013	0.4
131.08578	2.1
133.06516	2.2
133.10139	16.6
135.11691	2.1
137.05988	0.5
137.09624	1.6
145.10216	0.2
147.04443	1.8
147.08041	0.5
147.11699	3.2
149.09653	1.6
149.13300	0.2
151.03891	1.2
151.11200	0.6
151.14880	0.3
153.01836	2.3
157.10101	0.6
158.02733	0.4
161.05984	1.7
161.10646	0.1
165.05568	0.3
165.12708	0.2
169.04988	0.9
172.67690	0.2
175.03912	0.4
175.11191	3.3
175.14865	1.0
178.02580	0.3
193.04977	100.0
193.12193	3.2
193.15913	3.2
194.05331	0.4
214.46300	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	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03945	1.1
55.01854	1.8
55.05502	4.2
57.03421	2.3
57.07076	1.6
59.04999	1.7
62.17886	0.9
65.03956	2.0
67.05510	22.3
69.03412	3.0
69.07079	5.9
69.34040	3.4
69.34466	5.1
71.04998	34.1
73.02919	1.8
79.05499	12.9
81.07057	10.6
83.04980	2.9
83.08647	1.6
85.02899	2.0
85.06554	13.4
85.99940	1.0
89.06016	1.0
91.05488	17.6
93.07047	12.8
95.04982	11.1
95.08620	11.5
97.06535	9.8
97.13451	1.0
99.08075	1.6
103.03957	8.8
103.05461	3.2
105.07039	36.7
107.04957	2.1
107.08604	48.4
108.08901	1.1
109.06526	57.4
109.10166	81.0
111.08080	3.7
114.75318	1.1
115.05471	1.2
116.06280	1.2
117.07020	6.3
119.08580	14.5
121.06513	5.2
121.10150	49.5
123.08080	31.3
129.07022	1.4
130.80025	1.1
131.04944	1.6
131.08577	42.1
133.06531	1.6
133.10138	26.0
135.08066	67.9
135.11655	2.4
143.08562	3.7
144.09348	2.4
145.10158	12.2
147.11710	19.2
148.06081	3.7
148.08861	1.2
149.09650	11.0
149.13274	10.1
150.10384	2.4
158.10931	6.9
161.09657	1.1
163.07594	2.9
163.11177	1.6
163.14827	3.2
173.06023	1.5
173.13277	52.3
176.11963	1.8
191.06892	3.5
191.10797	2.1
191.14322	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03945	3.4
55.05517	7.8
57.07063	3.4
57.55687	1.6
67.05503	11.5
69.03432	8.4
69.07058	9.0
69.16127	17.0
71.04973	2.8
79.05145	1.7
79.05500	19.2
81.07047	13.1
83.04969	2.3
83.08602	1.9
85.06524	5.1
86.03538	3.9
91.05485	39.7
93.07048	22.2
95.04954	4.9
95.08608	9.4
97.06523	6.2
98.20768	3.0
103.03941	5.1
103.05463	8.1
105.07033	64.0
105.48809	1.5
107.04956	4.4
107.08600	40.4
109.06501	5.3
109.10165	6.1
109.42371	1.5
111.08060	2.5
115.05455	4.6
116.06243	4.4
117.07019	15.5
119.06050	1.5
119.08584	43.3
120.10484	1.4
121.06497	6.9
121.09336	2.3
121.10158	31.9
123.08051	4.0
123.11691	2.1
128.06181	4.2
129.07011	15.8
130.07768	6.3
131.04924	5.6
131.08575	63.5
131.09534	3.4
132.05678	2.0
132.09358	2.3
133.06400	2.0
133.10135	100.0
135.08066	15.5
135.11673	4.4
143.08563	27.1
144.09380	7.5
145.10127	36.1
147.11694	28.4
148.05139	2.6
149.09636	7.8
149.13263	16.4
156.09409	1.9
158.10916	24.5
159.08058	7.9
161.09607	1.6
163.07538	4.6
163.11234	2.7
163.14798	4.2
163.21768	1.9
173.09619	2.7
173.13266	48.7
191.06995	9.9
191.10704	13.9
191.14311	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.28297	0.4
53.03951	0.7
55.01878	3.4
55.05506	2.8
57.03426	0.9
57.07075	0.9
61.04060	0.9
67.05501	3.0
67.56802	0.4
69.03428	3.1
69.07069	12.3
70.70465	1.6
71.04974	0.8
72.93741	0.5
79.05491	5.0
80.73373	0.5
81.03432	0.7
81.07058	4.6
83.04978	2.1
83.08608	1.0
85.02897	1.4
85.06554	0.8
86.03552	1.7
88.88442	0.5
91.05483	6.7
93.07047	15.4
95.04949	2.3
95.08613	4.5
97.06522	2.9
103.03955	4.3
103.05457	3.2
105.07037	8.4
107.04940	2.2
107.08599	13.2
109.06506	2.3
109.10164	4.0
115.05437	1.2
116.06232	1.0
117.07027	3.4
118.04163	0.7
119.08583	4.7
121.06513	13.7
121.10146	9.9
123.08093	3.0
123.11715	0.7
129.07005	1.1
131.04948	3.1
131.08566	10.9
133.06514	0.8
133.10136	14.5
135.08051	9.4
135.11688	4.7
137.09595	1.5
142.60863	0.5
143.08551	1.5
145.06477	1.4
145.10130	7.9
147.07973	0.8
147.11699	22.7
148.05093	1.3
148.06065	1.7
149.05959	0.9
149.09607	4.9
149.13263	8.6
158.07314	0.6
158.10942	2.5
161.09634	4.5
163.07617	2.5
163.11174	2.3
163.14789	1.9
173.05885	0.9
173.09665	2.6
173.13271	13.4
176.04671	0.7
176.11966	1.4
191.07033	5.2
191.10684	5.2
191.14316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
54.44324	1.0
55.01862	1.1
55.05518	8.0
56.05036	1.4
56.96563	1.2
57.03427	3.1
58.06589	3.1
67.05510	30.6
69.03426	2.4
69.07075	45.1
69.84171	4.0
70.06602	14.8
71.04988	4.1
72.04527	1.4
74.06090	1.3
79.05483	3.4
81.03432	1.3
81.07059	4.9
83.08598	1.9
84.08148	3.2
85.02888	1.6
86.06090	1.4
86.72809	1.0
91.05490	3.2
93.07061	5.0
94.06564	2.7
95.04979	1.4
95.08619	32.8
97.02911	1.4
97.06531	2.6
98.09711	2.3
98.97605	2.5
99.04491	1.1
107.08588	1.1
109.10168	100.0
111.08121	1.2
111.11721	15.1
113.06018	1.4
119.08571	6.0
121.02863	1.2
121.06492	1.1
126.12787	2.5
136.11256	5.3
137.09644	24.9
146.06058	1.1
154.12279	45.8
155.10661	8.7
162.05510	10.6
172.13344	70.6
173.11649	1.7
190.05028	4.1
190.14401	46.8
198.88013	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	190.1262
Annotation	EPTC
Peak:m/z	Relative Intensity
50.56403	0.4
53.03954	0.3
53.60978	0.3
54.31472	0.3
55.00274	0.3
55.05499	0.4
57.07079	17.3
59.99117	2.8
67.05509	0.4
67.05908	0.4
70.09064	1.2
72.08157	0.4
78.00157	25.0
84.08145	0.6
85.02879	0.4
86.09714	7.0
87.04491	0.5
91.05510	0.5
92.01678	0.7
93.07022	0.6
98.21400	0.5
105.07042	0.6
116.05273	0.7
120.08928	0.6
126.42705	0.4
127.74486	0.4
130.06528	0.7
130.08652	0.5
131.04953	0.4
131.08533	0.3
134.06358	33.0
137.09410	0.4
147.04347	0.4
148.07890	3.0
149.02313	2.0
149.29808	0.4
169.03505	0.4
190.12614	100.0
191.07101	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01878	5.6
55.05520	2.3
65.03955	1.3
66.54005	0.5
66.75072	0.5
67.05507	13.1
69.07070	4.7
71.13197	1.1
79.05503	13.4
79.05962	0.7
81.07059	8.4
83.04992	1.7
83.08631	0.9
85.06542	2.5
91.05486	81.8
92.05822	0.6
93.07055	6.8
95.04980	2.1
95.08617	3.8
97.06531	4.0
103.05501	1.4
105.07037	27.5
106.90503	0.6
107.04975	3.4
107.08602	2.7
109.06541	1.7
111.08057	0.7
113.96359	0.9
115.05466	2.9
117.07040	11.1
119.08585	14.5
121.06501	2.9
123.08076	1.0
127.80950	0.5
128.06200	3.5
129.07011	31.9
130.07800	2.9
131.08539	3.2
133.06500	2.4
133.10146	13.2
135.08049	0.9
135.96930	0.7
141.07021	0.9
142.07796	0.8
143.08556	16.0
145.10135	20.8
147.08060	5.5
147.11700	11.9
156.09358	2.5
159.11722	1.8
161.09586	3.0
161.13252	12.8
169.10098	0.7
171.11697	49.7
189.12750	100.0
190.13194	1.1
203.34081	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.05
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
50.81123	0.2
55.05503	0.2
56.96561	0.6
61.68266	0.2
65.03942	0.3
69.03445	0.6
70.70970	0.5
70.71326	0.2
71.04978	0.2
73.02904	0.2
81.07053	0.3
85.02897	1.0
87.04462	0.3
89.03921	0.9
90.94814	0.2
95.04978	0.2
97.02898	0.4
97.55759	0.2
98.97577	0.3
102.09189	0.3
103.03926	0.6
106.11088	0.2
112.07565	0.3
116.04976	2.4
118.06568	0.5
121.02876	0.8
121.06477	0.3
130.06534	2.8
130.12270	0.4
134.06038	0.3
144.04430	1.3
144.08064	1.7
144.10239	0.3
146.06029	0.3
148.06033	0.3
149.02336	0.5
160.05692	0.2
162.05504	100.0
163.05833	0.9
167.01192	0.4
172.07552	2.7
173.08038	0.3
187.02866	0.2
190.04991	46.9
191.05305	0.5
194.99686	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.01861	3.7
55.05503	3.3
56.96561	1.4
57.03440	1.2
65.03942	1.4
67.05508	13.1
69.03442	0.9
69.07066	5.3
69.78168	2.7
69.78573	1.5
69.96296	0.8
79.05494	15.8
80.92735	0.8
81.03398	0.8
81.07066	8.3
83.04967	1.0
83.08610	0.9
91.05488	61.5
93.03373	0.9
93.07059	11.7
95.04939	3.4
95.08600	3.7
97.06532	4.4
98.20808	1.5
99.83332	1.0
100.74509	0.7
103.05453	1.7
105.07039	33.6
107.04967	4.0
107.08587	5.1
109.06536	2.4
115.05454	2.3
117.07020	10.6
119.08595	15.6
121.06488	2.9
121.10150	1.3
123.08082	0.9
128.06235	5.6
129.07011	32.5
130.07787	2.8
131.08546	2.7
133.06450	1.6
133.09238	1.2
133.10147	13.2
135.08121	1.2
136.79163	0.7
142.07788	1.0
143.08575	18.0
145.09050	1.8
145.10138	23.4
147.08052	7.1
147.11699	10.9
156.09377	3.6
159.11670	1.0
161.09595	2.7
161.13278	13.3
169.10040	1.4
171.11707	52.3
189.05453	1.7
189.09282	2.1
189.12750	100.0
190.13039	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20896	0.8
55.05515	1.2
60.48827	0.7
64.97036	0.7
67.65237	0.7
69.03426	3.3
70.44988	0.6
74.23654	0.8
79.05487	1.1
81.07059	0.8
91.05473	3.2
93.07066	0.8
98.21603	1.6
105.07027	7.2
109.06557	0.9
117.07022	2.6
119.08596	11.1
119.80457	0.7
128.06215	1.5
129.06999	2.3
130.07762	3.3
131.08556	4.2
133.06493	2.3
133.10117	2.9
141.06990	5.7
143.08620	6.6
144.09331	1.8
145.10133	17.8
146.10802	0.7
147.08046	4.6
147.11694	10.8
147.27242	0.7
155.08511	2.5
156.09361	41.7
159.08076	3.3
159.11700	12.7
161.09602	1.1
161.13293	1.2
162.09016	0.8
171.11702	59.3
174.10431	6.4
189.12758	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11956	1.4
55.05508	1.3
68.98728	1.2
69.03426	2.1
69.38403	1.1
69.68071	1.9
69.68472	4.5
71.04967	2.1
81.07053	4.7
85.02886	4.5
86.40258	1.3
91.05469	7.2
93.07025	2.2
93.11178	1.2
95.05008	1.8
95.08559	1.3
99.08084	2.5
102.16585	1.2
105.07038	13.1
107.08598	4.2
115.05465	2.4
117.07000	4.4
119.08596	20.3
121.10155	1.7
122.39268	1.4
128.06250	3.6
129.07005	5.7
130.07770	4.3
131.08626	9.9
133.06480	1.8
133.10156	10.9
141.07007	7.0
142.07753	1.6
143.08592	9.4
144.09317	1.4
145.10124	18.4
146.10884	1.6
147.08049	14.0
147.11700	29.5
155.08569	2.3
156.09358	41.8
159.08055	5.1
159.11693	9.9
160.08817	2.2
161.09602	4.4
161.13226	9.2
171.11707	51.1
173.51907	1.4
174.10422	7.4
189.09126	5.7
189.12749	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0912
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
55.41302	0.3
59.76457	0.3
60.36588	0.3
65.18649	0.3
70.03663	1.2
78.52869	0.3
81.07094	0.5
85.02927	1.5
91.05502	1.7
93.07071	0.6
95.08626	0.6
103.05487	0.7
105.07043	2.9
107.08614	0.7
109.10186	0.4
115.05490	1.5
117.07063	0.8
119.08595	2.6
121.51755	0.3
128.06236	10.0
129.07014	35.0
130.07780	0.9
131.04945	2.6
131.08583	5.3
133.06502	0.5
133.10132	2.0
141.07036	0.7
143.08620	1.8
145.06511	1.8
145.10161	0.7
146.07269	4.2
147.04477	0.6
147.08095	0.7
147.11682	0.8
155.06087	1.5
156.09369	0.9
157.06503	18.3
158.07297	7.7
159.04417	3.2
159.08081	0.8
159.11748	0.5
161.05997	1.1
161.09671	4.4
161.13274	1.0
171.08073	0.6
171.09425	0.4
171.11682	1.6
173.06041	0.4
174.06783	52.2
189.09119	100.0
189.12596	5.0
189.16388	1.7
190.09406	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78526	0.9
55.01877	35.9
55.05505	2.4
56.05027	1.6
56.96555	2.1
57.03442	45.7
58.02950	1.4
58.06601	5.8
59.04995	5.1
59.06930	2.3
60.04515	1.2
60.08170	9.6
61.02926	5.4
67.05484	1.4
68.99779	2.8
69.03436	1.8
70.06599	14.2
71.01355	19.6
71.04999	5.2
71.52016	1.1
72.04508	4.3
72.08157	11.7
73.02921	16.6
74.06023	0.9
74.07204	3.3
75.04486	1.7
82.99911	1.1
83.01343	9.4
84.04501	4.0
84.08149	100.0
84.99279	1.3
85.02908	14.4
85.06528	1.6
86.06060	1.8
86.09714	1.6
87.00838	1.6
87.01894	1.4
87.04472	25.8
88.03992	1.8
89.02416	5.9
95.01328	2.7
97.08463	1.2
98.09681	1.7
98.97578	2.2
99.00768	1.1
99.73627	1.1
100.07614	12.4
101.00954	2.2
101.01726	21.9
101.02381	58.1
102.05540	2.1
103.03343	1.4
103.03931	7.2
111.00815	10.5
112.07633	2.4
113.02366	4.0
115.03938	61.7
116.07070	5.8
118.05037	1.4
118.08655	2.3
119.01879	1.7
121.01672	1.3
126.09147	3.8
127.00246	3.2
127.03926	1.7
128.03433	4.5
129.01852	19.9
129.02850	1.2
129.07469	1.5
129.10234	2.6
130.04997	1.7
130.08640	20.6
131.03496	1.4
138.82007	1.1
139.00281	4.4
143.01979	0.9
143.03406	4.8
143.09064	5.0
143.11801	9.2
144.06567	28.8
144.10223	2.0
144.11253	1.1
147.01053	1.5
147.02223	29.1
147.03325	1.9
148.06038	1.1
157.01338	55.3
158.08153	3.3
159.02892	3.8
161.02980	1.2
171.11324	2.2
175.02411	3.1
189.03806	3.4
189.05829	1.2
189.08875	1.8
189.12141	14.3
189.15956	11.5
192.55098	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.9
54.03473	2.0
54.41100	0.5
55.01875	10.9
55.05510	2.9
56.05041	2.4
56.96566	4.9
57.03440	6.6
58.02961	2.2
58.06602	100.0
58.99858	0.7
60.04528	2.1
60.08169	1.1
61.02922	1.7
62.37980	0.5
67.05502	1.6
68.99815	0.7
69.03426	3.0
69.07050	1.3
70.02959	3.0
70.06610	4.3
70.94039	1.3
70.95878	0.8
70.98161	0.6
71.01377	1.6
71.04986	3.1
72.04520	8.6
72.08160	23.8
73.02924	9.9
74.02444	3.0
74.06058	0.8
78.06416	0.5
81.03413	4.4
81.07036	0.8
82.02957	1.7
82.06586	3.5
83.01357	1.7
83.04996	1.5
83.37179	0.5
84.04513	5.3
84.08148	13.7
85.02896	4.5
85.06567	0.8
86.03605	0.7
86.06046	0.7
86.09689	0.7
87.04484	3.1
88.04006	1.5
90.05566	1.3
95.05009	0.8
96.08130	4.3
97.02904	4.6
97.06546	0.6
97.96770	0.6
97.99162	0.6
98.02430	2.4
98.03168	0.5
98.06068	1.0
98.09705	1.0
98.97585	6.2
99.04446	2.8
100.02615	0.7
100.03984	11.2
100.07619	18.3
101.00877	3.1
101.02381	2.1
101.04764	0.6
102.00971	1.2
102.02325	0.6
102.05551	10.1
102.06184	0.9
103.00626	0.7
108.01666	0.5
109.02921	1.7
110.02408	15.3
110.03165	1.2
110.06039	1.7
110.07245	0.6
110.97562	1.2
111.00824	1.0
111.02934	0.7
111.04418	1.0
112.03989	0.9
112.07592	0.5
112.11245	4.6
113.00842	0.9
113.02356	3.4
113.53219	0.7
114.05510	1.7
114.09173	16.5
115.02395	0.7
115.03942	1.3
116.03442	3.9
116.07080	2.8
116.98666	2.1
117.02069	1.0
117.10273	1.4
118.03583	0.8
118.05006	6.9
119.01906	4.2
120.02048	1.7
121.01672	0.7
124.07613	1.1
124.11229	1.1
125.06030	0.8
126.01826	2.9
127.03976	1.1
128.03442	28.6
128.07079	18.1
128.08067	0.6
128.10721	1.4
128.98560	0.7
129.01881	0.9
129.03914	0.6
129.05507	0.8
129.06581	1.3
129.10269	0.8
130.03549	1.9
130.08632	2.0
131.01901	1.4
131.11790	1.7
132.95856	1.4
133.03447	1.6
134.03636	0.7
137.04514	0.6
137.51530	0.6
142.03490	1.1
142.05003	3.0
142.08652	11.8
142.10570	1.6
142.12263	3.3
143.07047	1.0
143.11823	1.1
144.06534	2.0
144.10165	0.8
145.03441	1.8
145.04985	0.9
146.04472	3.1
146.08136	2.4
146.53876	1.0
147.05034	1.2
150.96843	1.0
153.05733	0.7
154.03822	0.6
154.05615	0.8
155.01918	0.9
155.54828	0.7
155.97382	1.2
156.02899	13.5
157.01411	1.2
157.03392	0.7
158.02994	2.5
158.04305	0.6
159.03030	0.7
159.05038	1.3
160.06099	1.1
167.01709	0.6
167.05533	1.5
170.04472	1.7
170.08139	4.1
170.11800	3.0
171.05064	0.9
171.14937	17.6
173.02925	0.8
173.98389	0.7
174.04022	7.1
174.05501	0.8
174.06129	1.3
176.04097	2.9
176.06120	0.6
177.04082	0.8
185.02884	0.8
188.05467	4.8
188.09258	9.6
188.11244	3.5
188.12816	83.5
188.17558	22.3
189.04437	0.7
189.06111	1.3
189.12297	1.1
207.05299	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1283
Annotation	Hyacinthacine A4
Peak:m/z	Relative Intensity
53.03957	0.2
54.03480	1.0
55.01880	7.9
55.05513	1.5
56.05039	1.5
56.69101	0.2
56.96574	4.9
57.03445	4.4
58.02976	1.8
58.06606	79.8
58.46400	0.2
59.05004	0.6
60.04538	2.0
60.05679	0.4
60.08173	1.1
61.02933	1.9
61.04047	0.6
67.05508	0.9
68.99789	0.6
69.03449	2.3
69.07082	1.2
70.02973	1.8
70.06600	4.3
70.98140	0.6
71.01366	0.9
71.05006	2.1
71.53082	0.4
71.95290	0.4
72.04525	5.9
72.08166	18.8
73.02928	5.6
73.03304	0.4
73.06556	0.5
74.02457	2.2
74.06086	0.5
79.05518	0.3
81.03429	2.5
81.07047	0.3
82.02963	1.7
82.06593	3.5
83.00911	0.4
83.01337	2.0
83.04990	1.1
83.06905	0.3
83.38728	0.3
84.04519	4.3
84.08154	14.9
84.96036	0.8
85.02915	3.2
85.06547	0.4
85.08488	0.3
86.03603	1.4
86.06087	1.2
86.09691	0.6
87.04463	1.9
88.04000	2.1
88.07639	0.9
90.05060	0.3
90.05562	0.4
93.07060	0.4
94.02888	0.3
95.01306	0.4
95.04971	0.3
95.08593	0.4
96.08134	2.3
97.02901	2.9
97.06561	0.7
97.07693	0.4
97.96814	0.9
97.99175	0.5
98.02439	0.6
98.06065	0.7
98.09697	0.8
98.97599	6.1
99.04476	1.1
99.08102	0.3
100.03992	7.6
100.05190	0.8
100.07631	15.1
100.99149	0.4
101.00845	1.4
101.02396	1.2
101.04765	0.3
102.02394	0.4
102.04155	0.3
102.05554	8.9
103.00623	0.4
103.02419	0.5
103.03986	0.4
107.15616	0.3
108.01567	0.4
108.02336	0.3
109.02899	1.1
110.01288	1.0
110.02415	8.8
110.06078	0.8
110.09694	0.5
110.97597	1.3
111.00840	0.4
111.04504	0.8
112.03992	0.6
112.07644	0.6
112.11254	3.7
112.99146	0.5
113.00911	0.6
113.01824	0.2
113.02399	2.7
114.05540	1.2
114.09182	14.2
115.02419	0.5
115.03966	0.5
115.97809	0.4
116.00208	0.6
116.03452	2.6
116.07111	2.9
116.10748	0.5
116.98642	2.7
117.02039	0.7
117.10301	1.7
118.01075	0.3
118.05032	13.4
119.01888	3.2
120.02055	0.6
121.01697	0.7
121.52071	0.3
124.03884	0.3
124.09573	0.4
124.11235	2.1
125.05999	1.1
126.01840	1.3
126.02626	0.8
126.05561	0.3
126.09216	0.7
127.03946	0.9
127.04935	0.3
128.03464	21.7
128.04535	1.9
128.07094	16.4
128.10719	2.7
128.52850	0.7
128.98598	1.4
129.01880	0.8
129.02936	0.5
129.03864	0.7
129.06613	1.5
129.07457	0.5
129.10277	0.8
129.80826	0.2
130.03477	1.4
130.08653	1.4
130.52618	0.3
131.00200	0.8
131.01884	1.0
131.11810	1.0
132.01971	0.4
132.95834	0.5
133.01662	0.5
133.03482	0.8
134.99663	0.9
135.00658	0.3
135.03085	0.6
137.02866	0.5
137.53354	0.9
138.03369	0.4
139.00320	0.4
139.75479	0.3
140.02251	0.3
141.10167	0.4
142.03539	0.6
142.04988	1.1
142.08662	6.8
142.10483	1.5
142.12279	4.3
143.00175	0.4
143.01932	0.6
143.07065	0.5
143.11818	1.2
144.06596	2.4
144.10229	0.7
145.03470	0.8
145.05069	0.3
146.04503	2.2
146.08160	0.7
146.53918	0.5
146.99678	0.7
147.03160	0.8
147.05013	0.4
149.01289	0.5
149.02728	0.3
150.96896	0.5
151.04359	0.3
152.07098	0.3
152.10728	0.7
154.03947	0.6
155.01863	0.3
155.04655	0.7
155.54826	0.5
156.02914	9.6
156.04875	0.5
157.01433	0.7
157.03459	0.6
158.03027	1.9
158.08159	0.6
158.99634	0.6
159.05075	0.5
160.06067	0.6
160.07213	0.5
160.09656	0.3
161.01239	0.4
161.02968	1.1
163.02789	0.5
163.04425	0.6
164.02333	0.3
164.55363	0.3
164.98492	0.4
165.00743	1.0
167.05598	0.3
170.04491	1.0
170.08125	0.9
170.11771	5.0
171.05061	0.5
171.14949	13.1
173.01257	0.6
173.98462	0.4
174.03998	7.4
176.03981	1.9
177.00789	0.5
177.04199	0.4
183.01773	0.3
185.02957	0.5
188.05490	2.0
188.06697	2.6
188.09221	4.3
188.11179	7.8
188.12828	100.0
188.17563	15.8
189.04361	0.3
189.05992	0.5
189.12125	1.5
189.15997	0.8
203.04012	0.4
207.05188	0.4
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
53.91359	0.3
55.05178	0.4
56.57228	0.4
63.13191	0.4
69.40596	0.4
70.57135	0.8
84.04517	1.2
91.05488	3.6
100.08570	0.4
100.97387	0.4
103.05470	0.7
112.89004	0.4
115.05463	3.8
117.05759	1.4
117.07017	3.5
117.07772	0.5
118.06551	57.6
119.06921	0.6
134.47708	0.4
142.06546	4.8
143.07314	9.7
144.04448	0.8
144.08093	23.3
146.06018	100.0
147.06323	0.9
155.06024	0.5
160.07602	0.9
170.06012	8.0
188.07076	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	Indoleacrylic acid
Peak:m/z	Relative Intensity
54.21412	0.2
69.95510	1.2
72.90245	0.3
91.05491	3.0
115.05463	4.6
116.87125	0.2
117.05759	1.2
117.07030	3.6
118.06547	58.8
126.30335	0.2
132.08080	0.7
132.89319	0.3
136.39133	0.3
137.34732	0.3
142.06529	5.3
143.07307	10.1
144.04428	1.0
144.08093	23.1
145.06506	0.5
146.06015	100.0
147.06348	0.6
155.06052	1.2
160.07581	1.0
170.06018	7.9
188.07072	28.3
202.57007	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.133
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
55.01868	4.0
55.05516	11.3
56.05043	2.5
56.96570	1.4
57.03435	4.9
57.07069	5.9
58.06628	1.2
59.05000	1.5
65.21877	1.4
67.05511	59.0
68.05045	1.4
69.03432	8.1
69.04562	2.6
69.07078	12.1
69.36494	1.3
70.06599	20.1
71.05001	73.6
71.06925	6.7
71.52367	1.6
72.08159	4.0
79.05502	15.4
80.05048	1.3
80.14970	1.3
81.03423	9.2
81.07063	53.7
83.05013	7.8
83.08615	5.1
84.04520	2.2
84.08147	1.9
85.02912	7.4
85.06551	100.0
87.04457	1.6
88.02225	12.7
88.07631	3.7
88.34085	1.2
91.05492	34.8
91.88220	1.5
93.07044	13.7
95.04946	3.6
95.08626	8.8
97.06535	4.6
99.04469	2.8
100.07626	1.6
103.05500	8.5
105.07039	41.6
107.08607	36.0
109.02893	4.2
109.06528	8.1
109.10170	58.7
113.02382	10.6
113.06035	2.6
114.05583	1.4
115.05444	7.9
115.08704	2.1
117.07052	1.6
118.06544	3.6
123.04386	1.9
123.08078	4.3
123.11708	9.2
124.07574	2.7
125.09651	2.1
127.03920	3.5
127.07574	2.3
128.06229	1.9
129.07024	1.9
131.04941	15.7
131.08580	4.6
133.10147	90.8
139.11209	2.2
141.09225	2.3
141.10204	9.1
142.08670	3.1
143.04930	4.5
144.05724	5.5
145.10141	2.5
146.03174	3.1
146.06009	3.7
146.07109	1.4
151.11195	47.7
152.06960	1.7
156.11304	9.8
159.04440	18.4
159.08057	4.7
169.12262	17.8
170.08208	1.5
172.05212	2.3
173.00827	3.2
187.02272	1.6
187.03926	28.0
187.05919	3.5
187.07497	19.5
187.11121	4.0
187.13272	2.9
187.14801	2.8
188.13947	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	187.133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.0
55.05516	11.3
56.05043	2.5
56.96570	1.4
57.03435	4.9
57.07069	5.9
58.06628	1.2
59.05000	1.5
65.21877	1.4
67.05511	59.0
68.05045	1.4
69.03432	8.1
69.04562	2.6
69.07078	12.1
69.36494	1.3
70.06599	20.1
71.05001	73.6
71.06925	6.7
71.52367	1.6
72.08159	4.0
79.05502	15.4
80.05048	1.3
80.14970	1.3
81.03423	9.2
81.07063	53.7
83.05013	7.8
83.08615	5.1
84.04520	2.2
84.08147	1.9
85.02912	7.4
85.06551	100.0
87.04457	1.6
88.02225	12.7
88.07631	3.7
88.34085	1.2
91.05492	34.8
91.88220	1.5
93.07044	13.7
95.04946	3.6
95.08626	8.8
97.06535	4.6
99.04469	2.8
100.07626	1.6
103.05500	8.5
105.07039	41.6
107.08607	36.0
109.02893	4.2
109.06528	8.1
109.10170	58.7
113.02382	10.6
113.06035	2.6
114.05583	1.4
115.05444	7.9
115.08704	2.1
117.07052	1.6
118.06544	3.6
123.04386	1.9
123.08078	4.3
123.11708	9.2
124.07574	2.7
125.09651	2.1
127.03920	3.5
127.07574	2.3
128.06229	1.9
129.07024	1.9
131.04941	15.7
131.08580	4.6
133.10147	90.8
139.11209	2.2
141.09225	2.3
141.10204	9.1
142.08670	3.1
143.04930	4.5
144.05724	5.5
145.10141	2.5
146.03174	3.1
146.06009	3.7
146.07109	1.4
151.11195	47.7
152.06960	1.7
156.11304	9.8
159.04440	18.4
159.08057	4.7
169.12262	17.8
170.08208	1.5
172.05212	2.3
173.00827	3.2
187.02272	1.6
187.03926	28.0
187.05919	3.5
187.07497	19.5
187.11121	4.0
187.13272	2.9
187.14801	2.8
188.13947	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	186.149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90254	0.2
59.10046	0.2
68.05030	0.3
69.94760	0.2
70.06596	100.0
70.57975	0.6
71.06913	0.3
74.86938	0.2
81.07059	0.3
84.04553	0.3
85.02921	0.6
86.09737	0.2
89.03931	0.5
98.06071	0.2
98.97572	0.3
108.08978	0.2
114.05566	0.7
117.03387	1.1
121.00883	0.3
126.05526	0.6
130.06540	0.6
140.14383	0.3
145.02864	1.7
158.06053	0.5
163.01849	0.8
168.13867	4.3
181.02948	0.6
186.05539	0.9
186.07379	0.5
186.11493	0.6
186.14856	2.6
187.04005	0.2
207.19479	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	187.1079
Annotation	L-Alanyl-L-proline
Peak:m/z	Relative Intensity
53.03927	0.6
55.01876	6.3
55.05515	5.2
55.30848	0.5
56.05029	0.9
57.03436	0.6
63.34448	0.6
67.05502	1.7
69.03417	1.3
70.06597	4.5
71.04988	0.7
71.06925	2.6
71.31796	0.9
72.08158	2.8
79.05489	1.7
81.03422	2.5
81.07061	21.8
82.06590	1.2
83.08628	11.8
84.04494	1.9
84.08135	2.1
85.02917	1.1
85.06555	4.4
87.04482	0.6
88.02224	2.5
91.05495	0.9
95.08638	0.7
97.02855	0.5
97.06533	0.7
98.09702	19.0
99.04421	0.6
99.08043	0.9
99.09213	3.6
108.08106	2.9
109.02872	1.0
109.06517	4.0
110.06047	0.5
113.07089	0.6
115.05475	1.9
117.27023	0.5
118.06570	0.5
124.07598	1.0
125.07060	0.8
126.09162	31.6
127.03908	0.9
127.07532	0.9
128.07082	0.6
131.04973	2.2
141.09158	0.9
141.10236	12.6
143.04916	1.1
144.05672	0.5
145.09679	2.2
151.08670	6.8
152.07065	0.5
155.03401	0.9
159.06920	0.7
159.08153	0.6
163.01852	0.6
169.09734	100.0
173.00873	0.7
187.03929	6.5
187.05986	1.1
187.07564	1.4
187.10783	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	185.0809
Annotation	UNII-Z02B4Y02FV
Peak:m/z	Relative Intensity
52.03185	0.5
53.03943	0.5
55.01862	0.9
55.05502	1.4
57.03434	1.3
57.07072	0.4
59.99476	0.4
65.03939	1.1
67.05507	4.9
68.05006	0.4
68.99792	1.9
69.03429	1.2
69.07070	2.7
71.05000	2.9
71.52557	0.6
71.52989	0.6
75.04478	1.3
79.01866	1.7
79.05495	2.4
81.07058	3.6
82.04199	1.8
83.05002	0.9
83.08618	1.3
84.04502	0.5
85.01135	1.1
85.02898	0.8
85.06540	1.4
86.09715	5.0
93.03420	0.9
93.07064	3.7
95.01341	6.2
95.04961	1.8
95.08614	2.6
97.06538	1.6
97.10172	0.6
98.97588	0.8
99.04469	0.7
102.96871	1.0
105.07036	0.7
107.01315	0.7
107.04976	1.1
107.08616	3.3
109.02872	0.8
109.10162	3.7
110.03667	23.2
111.04459	6.4
111.08060	0.6
114.05476	0.5
120.97899	0.5
121.06556	0.5
121.10159	3.1
123.04452	2.1
123.08056	0.5
123.11718	1.2
125.06003	71.7
127.03915	4.5
129.06990	0.9
134.03625	0.5
135.04440	0.6
138.03120	1.7
139.03914	16.4
139.11205	1.0
140.04645	0.4
141.05466	0.4
142.02643	0.5
142.06316	0.5
144.08118	1.2
149.02403	0.9
149.09682	0.9
149.13260	2.3
153.05479	100.0
154.06265	37.0
155.03413	2.1
155.06998	1.1
156.04196	1.1
157.06577	0.6
157.08665	0.6
157.10051	1.0
167.03419	1.7
167.07098	0.5
167.10713	1.5
167.14325	0.5
170.05788	6.0
170.11055	0.5
185.04652	2.9
185.08124	37.4
185.09369	1.6
185.10640	3.5
185.15448	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.081
Annotation	UNII-Z02B4Y02FV
Peak:m/z	Relative Intensity
52.84732	0.5
53.03920	0.6
55.01859	0.9
55.05502	1.8
56.66632	0.5
57.07069	0.7
58.06584	0.5
59.57330	0.5
61.14405	0.5
63.35156	0.5
65.03941	1.1
67.05497	2.5
68.99789	1.9
69.03419	1.2
69.07062	1.2
70.06591	5.6
71.04983	0.9
71.11291	1.0
72.04505	0.7
72.08162	4.3
73.02862	0.7
75.04484	1.4
79.01843	1.3
79.05496	3.3
81.03414	0.6
81.07059	2.7
82.04190	2.3
83.04962	2.1
84.05332	0.6
84.08177	0.5
85.02911	0.9
86.09708	2.5
91.05456	1.8
92.97105	0.5
93.03394	1.1
93.07050	6.3
95.01331	5.8
95.04972	2.4
95.08611	1.7
97.02895	1.3
97.06527	3.2
99.04449	1.1
102.96928	1.2
105.06998	1.3
107.01317	1.0
107.04961	1.7
107.08582	2.3
109.02881	1.6
109.06519	0.8
110.03664	22.8
111.04448	5.6
111.08095	1.1
112.11275	1.3
120.02013	0.6
120.97942	1.1
121.06534	6.7
121.10152	2.2
123.04425	1.8
123.08077	1.5
125.02383	0.9
125.06000	65.2
126.05528	1.2
127.03955	3.3
129.06955	0.8
129.13872	1.0
135.04430	0.9
136.06128	0.6
137.90483	0.6
138.03122	1.1
139.03909	15.9
139.06448	0.5
139.07536	1.5
139.11145	1.3
140.04495	0.6
142.06166	0.7
143.08165	0.6
146.16573	1.1
149.05981	1.0
149.09621	0.7
149.13446	0.7
153.05475	100.0
154.06258	36.1
155.03369	2.0
155.07027	1.1
156.04156	0.9
167.03384	0.7
167.07068	7.6
167.10764	0.7
168.08055	0.9
170.05713	6.7
177.06717	0.7
185.08116	36.7
185.10678	1.0
185.14862	1.0
200.88319	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
70.72029	0.3
70.72366	0.2
82.01464	0.3
82.99844	7.1
83.99933	0.2
100.02485	0.2
101.00886	54.5
101.95035	3.4
102.00961	0.9
102.01592	0.1
103.01328	0.1
111.00449	0.6
119.01925	100.0
119.96064	0.8
120.02010	1.3
121.02357	0.3
124.02451	5.2
137.02963	16.2
138.03021	0.2
142.03503	27.6
143.01891	1.2
143.03627	1.1
148.88687	0.1
160.03217	0.2
160.04564	3.7
161.02963	15.7
161.04556	0.7
162.03006	0.2
165.05135	0.4
179.04019	14.8
180.04289	0.2
184.04567	0.3
202.05521	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37963	0.3
54.59351	0.4
55.05516	0.4
56.96566	2.2
57.03431	0.9
61.02910	0.4
69.03426	1.3
70.01980	1.4
73.02917	1.2
75.69102	0.4
78.28429	0.4
81.03432	0.6
82.99839	6.6
85.02905	1.7
86.09702	1.2
92.82081	0.4
97.02921	0.9
98.97601	1.5
100.02541	0.5
100.35514	0.3
101.00891	53.9
101.95042	2.6
102.00975	0.8
102.96882	0.6
109.02903	0.5
111.00411	0.6
113.00867	0.6
119.01929	100.0
119.96046	0.6
120.02034	1.8
121.02340	0.5
124.02463	4.5
124.07632	0.7
125.00049	0.9
127.03920	0.6
131.03596	0.4
133.01685	0.5
133.03456	0.8
137.01866	0.4
137.02965	15.9
142.03510	24.3
143.01881	2.2
143.03673	0.9
144.01976	0.7
147.55933	0.5
160.04573	4.0
161.02963	16.0
165.05191	0.5
165.96613	0.4
174.03189	0.6
177.32684	0.5
179.04018	13.6
183.36108	0.4
184.04576	0.8
184.07332	1.0
184.09731	1.3
184.13400	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1381
Annotation	Chrysanthemyl acetate
Peak:m/z	Relative Intensity
53.03944	1.6
53.21319	0.6
55.01863	2.4
55.05516	18.3
57.03437	4.3
57.07063	2.0
62.71144	0.5
65.20520	0.6
67.05510	29.4
69.03423	2.6
69.07073	25.2
71.04317	1.0
71.05000	14.3
71.08635	0.6
79.05503	15.7
81.07063	100.0
83.04983	6.7
83.08628	10.7
85.02917	1.7
85.06550	12.6
87.04482	0.9
91.05488	15.8
91.06001	0.6
93.07050	12.4
95.04978	4.2
95.08613	21.3
97.06534	5.6
97.10160	0.6
98.98486	2.3
99.04472	1.6
99.08082	4.5
100.09827	0.5
101.06006	0.8
103.27944	0.6
105.03407	1.6
105.07039	30.2
107.08593	12.3
109.06526	8.0
109.10170	1.7
111.08109	2.6
113.06064	2.8
115.07680	0.7
117.07040	1.3
119.07936	0.4
119.08591	23.5
121.10149	29.5
123.04471	1.6
123.08088	5.5
123.11714	46.8
125.09611	1.0
127.07565	3.8
129.07071	1.7
131.02463	0.6
135.01576	0.7
137.09657	2.0
137.13297	2.6
141.07016	6.0
142.07751	0.7
145.10269	1.1
147.11694	53.4
155.08603	1.8
161.74998	0.6
165.05450	0.7
165.12764	25.2
167.56908	0.6
167.77695	0.5
168.09360	0.9
168.83716	0.5
183.11736	3.5
183.13791	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	183.0654
Annotation	3,4-Dihydroxyphenylpropanoate
Peak:m/z	Relative Intensity
53.03952	2.4
55.01870	2.1
55.05510	1.7
57.03446	2.3
57.07067	0.9
58.96669	0.5
65.03932	0.9
67.05511	6.2
68.99795	10.2
69.03443	3.1
69.07086	2.5
69.07378	0.5
69.36353	4.0
71.04985	1.4
79.05499	5.9
81.03419	8.3
81.07066	13.8
83.04984	1.1
83.08611	1.6
85.02907	0.9
85.06548	2.2
86.31678	0.4
87.32380	0.5
91.05489	9.6
93.07047	1.2
95.04977	12.4
95.08611	5.3
97.06547	2.6
98.98473	1.5
99.04451	1.9
99.08100	0.9
105.03391	2.0
105.07023	1.9
107.04964	2.5
107.08614	1.5
109.02897	0.8
109.06523	13.2
109.10169	3.0
111.04401	0.8
111.08089	1.0
113.05980	1.3
119.04959	10.0
119.08604	2.1
121.10162	1.2
123.04436	10.7
123.08057	1.7
123.11708	3.8
125.09662	1.1
127.07511	0.7
133.02879	1.1
135.04431	0.8
137.05989	62.1
137.09578	1.2
137.13266	0.9
137.83238	0.5
139.11133	0.6
140.04698	1.6
141.05481	17.8
147.04413	1.6
147.11723	1.8
150.03091	2.6
153.01897	1.4
153.05489	0.6
155.07045	1.8
155.08319	0.6
155.10648	0.5
163.03947	0.7
165.05487	99.1
165.09174	2.1
165.12767	2.2
166.05789	0.5
168.09418	0.8
183.06544	100.0
183.09221	2.5
183.11751	1.4
183.13887	1.4
183.19514	2.7
184.06886	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0654
Annotation	3-Hydroxy-4-methoxyphenylacetic acid
Peak:m/z	Relative Intensity
53.03947	3.6
55.01867	2.4
55.05512	3.4
56.23362	0.6
56.31939	0.5
57.03440	12.9
57.07080	0.8
57.47553	0.5
65.03926	1.4
67.05515	8.9
68.99793	6.0
69.03442	5.5
69.07072	3.7
71.05000	8.4
71.52947	0.7
72.08154	1.6
77.03927	1.1
79.05487	5.3
81.03418	3.1
81.07063	15.8
83.04983	2.2
83.08617	3.0
85.02904	1.9
85.06542	2.3
87.77303	0.6
91.05474	10.3
93.07053	4.6
95.04980	24.1
95.08611	17.3
97.02887	1.5
97.06544	6.0
98.98469	5.3
99.04463	26.0
101.95004	0.7
105.03408	5.7
105.04527	2.0
105.07041	5.6
107.04928	0.9
107.08579	3.9
108.02003	0.6
109.02878	1.9
109.06525	12.9
109.10164	14.9
111.04425	0.8
111.08091	1.8
113.06029	1.5
113.09637	0.7
115.05348	0.7
115.07497	0.6
119.01942	0.8
119.04943	11.2
119.08582	5.7
121.10165	4.8
123.04433	21.7
123.08056	5.9
123.11712	6.4
125.02357	0.8
125.05995	1.7
125.09657	1.8
127.01565	1.0
127.03896	1.5
127.07541	1.8
133.02831	1.1
137.05986	75.1
137.09605	5.9
137.13277	0.7
140.04681	7.2
141.05478	2.6
145.33701	0.7
147.04405	2.2
147.08022	1.1
147.11720	2.9
151.03828	0.7
155.07042	5.8
155.08350	1.0
160.04547	0.8
165.05486	61.7
165.09148	4.4
165.12798	3.3
165.16380	1.8
183.06551	100.0
183.08928	19.2
183.13756	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	183.0655
Annotation	Methyl vanillate
Peak:m/z	Relative Intensity
51.02392	0.7
53.03952	17.7
55.01880	4.4
55.02107	0.8
55.05515	1.7
57.03444	1.5
59.51802	0.6
60.05656	0.7
65.03954	4.6
67.05513	12.7
67.05875	0.7
69.03441	3.5
69.07074	1.5
69.51080	3.1
69.51490	1.6
71.05001	2.6
72.08173	1.8
72.57852	0.5
77.03946	2.8
79.05502	2.9
81.03422	3.2
81.07065	4.1
83.04990	2.0
85.02898	1.8
85.06555	1.7
86.08580	0.7
91.05483	3.2
93.03434	0.7
93.07047	5.4
95.04979	97.5
95.08624	8.5
96.08143	1.3
97.02874	1.0
97.06544	2.4
98.97549	1.0
98.98486	5.1
99.04470	2.8
105.03429	5.8
105.04521	8.5
105.07043	2.0
107.04999	0.6
107.08612	1.0
109.06516	2.3
109.10183	3.4
111.04431	1.5
111.08062	0.8
113.06023	0.9
119.04942	0.9
119.08600	5.0
121.06573	0.8
121.10126	1.7
123.04441	100.0
123.08046	4.8
123.11679	0.9
124.07608	15.5
125.02363	4.5
125.05977	2.2
125.09626	1.6
127.01572	1.1
133.02887	3.0
137.02287	0.8
137.06027	3.3
137.09621	4.1
138.09160	1.3
139.07526	1.0
140.04701	33.3
141.05449	0.7
141.09113	0.8
141.11052	1.6
147.04428	0.8
147.08061	2.4
147.11728	0.8
151.03865	1.5
155.07050	32.1
165.05481	2.1
165.09106	4.2
165.12668	0.9
166.08643	4.5
170.49878	0.7
183.06557	10.9
183.08041	1.5
183.10039	1.5
183.11482	1.4
183.13741	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0648
Annotation	2,6-Dimethoxy-benzoic acid
Peak:m/z	Relative Intensity
53.03948	4.2
55.01850	2.5
55.05516	4.5
56.67368	0.7
56.96567	0.6
57.03421	2.5
57.07057	2.2
59.04979	1.1
60.83835	0.6
65.03914	1.2
67.01839	1.4
67.05508	7.4
68.45927	0.6
68.99789	8.3
69.03423	4.0
69.07065	3.6
71.01333	1.2
71.04993	5.8
71.53587	1.1
72.08147	1.5
77.03941	1.0
77.47757	0.6
78.98421	0.7
79.05495	8.2
81.03422	6.9
81.07056	18.6
83.04985	1.7
83.08215	0.8
83.08621	7.8
85.02884	2.1
85.06535	2.2
86.07377	0.7
91.04993	0.7
91.05499	7.0
93.07029	2.2
94.07054	0.6
95.04980	13.0
95.08611	11.7
97.02874	1.0
97.06535	11.1
98.98476	4.2
99.04467	14.4
100.97168	0.7
101.06013	3.6
101.95056	0.6
105.03395	4.9
105.04498	1.2
105.07009	2.9
107.04990	3.5
107.08607	5.0
109.02882	2.2
109.06526	12.9
109.10168	4.6
109.14178	0.7
111.04485	0.9
111.08080	3.1
111.11741	0.8
113.05987	3.8
113.09641	1.0
119.04945	5.1
119.08592	2.9
121.10148	3.5
122.03650	0.8
123.04426	12.0
123.08056	3.1
123.11720	9.3
125.06001	1.4
125.09635	1.6
127.01603	0.9
127.03938	1.4
133.02759	1.0
137.02399	1.0
137.05984	36.4
137.09625	3.2
137.13243	2.4
139.11215	0.8
140.04695	2.7
141.05470	56.7
141.12782	0.7
145.23291	0.8
147.11678	3.3
150.03122	1.8
155.04773	0.6
155.07033	2.2
155.08519	1.1
165.05484	85.7
165.09145	2.0
165.12775	5.5
183.06546	100.0
183.09239	6.3
183.11749	2.5
183.13786	6.6
203.41284	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1541
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
55.01870	0.6
55.05516	4.8
57.03435	0.7
57.07067	2.0
58.02962	23.0
67.05177	0.7
67.05508	12.3
69.07071	48.3
70.06586	1.3
74.06076	0.9
79.05496	3.4
81.06588	0.8
81.07059	12.7
82.06576	0.7
83.04990	1.2
83.08626	5.1
84.04482	0.5
84.08153	7.8
85.06560	0.5
86.06062	1.1
91.05491	3.6
93.07043	7.5
95.04973	1.2
95.08622	3.6
97.06548	2.8
98.06055	2.3
98.09692	1.3
98.21542	0.9
98.97589	2.9
99.97896	1.4
100.07620	4.9
105.07027	9.6
107.08601	12.9
109.06493	1.4
109.10163	36.7
112.07592	1.5
114.09170	12.5
116.98613	1.3
117.98934	0.8
118.65718	0.5
119.08582	1.0
121.10118	1.6
123.11722	6.5
126.09153	12.6
126.12787	0.9
128.10707	0.6
133.10138	26.8
135.11696	11.9
136.07628	0.8
137.13257	0.6
138.12781	13.5
140.14290	0.9
147.11687	3.7
151.11182	9.3
153.12759	11.0
154.15939	0.6
164.14362	1.8
165.12825	2.2
182.15413	100.0
183.15729	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0814
Annotation	Tyrosine
Peak:m/z	Relative Intensity
53.03926	0.9
54.39929	0.4
55.01875	0.5
55.05524	0.8
56.96562	3.6
57.03434	1.2
61.02912	1.2
62.55825	0.4
63.93818	0.5
67.15838	0.4
69.03432	1.4
71.04993	0.9
71.52660	0.5
73.02918	1.0
76.36839	0.4
77.03914	0.4
78.95296	0.7
81.03429	0.7
82.01443	0.9
85.02914	1.9
87.04474	0.5
91.05489	28.2
95.04977	11.4
97.02888	2.7
98.97590	5.8
99.04417	0.6
99.97933	1.6
100.02498	0.8
101.00871	0.9
103.05491	1.0
107.04956	1.2
108.08146	1.1
109.02836	0.5
109.06542	1.1
111.51838	0.9
113.00854	1.1
115.02433	1.0
115.56152	0.5
116.98641	2.2
118.06567	1.3
119.04952	36.0
119.97897	0.9
120.52337	0.9
121.06540	0.7
123.04437	45.8
124.07619	1.0
126.98746	0.6
129.02261	0.6
131.01880	3.2
131.03661	0.7
133.03452	1.3
136.07588	100.0
137.05998	0.6
137.07860	0.6
140.95256	1.0
140.98615	0.9
141.03935	0.6
142.03474	0.6
142.08226	0.4
143.01872	0.5
144.98108	0.4
144.99869	0.7
147.03229	0.8
147.04405	16.3
149.02972	0.9
154.03497	1.7
154.08644	0.5
154.92741	0.5
158.99695	1.6
159.01439	1.0
159.03386	0.5
159.05028	0.5
161.04468	0.8
161.05632	0.9
163.96828	1.1
164.05710	3.5
164.06989	0.8
165.05489	32.1
167.67961	0.4
170.05150	0.7
177.00867	1.0
177.02475	1.2
177.04388	1.1
177.06163	1.2
181.97913	0.6
182.02916	0.7
182.06747	0.6
182.08139	6.8
182.11769	2.3
195.07150	0.7
200.04031	0.6
201.84311	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03945	1.5
55.01866	2.2
55.05305	0.7
55.05517	7.4
56.96575	5.8
57.03427	2.0
57.07064	2.5
65.03932	1.6
67.05506	7.6
69.03426	1.2
69.07079	4.4
70.35519	1.7
71.05003	0.9
71.95254	1.8
73.02917	1.0
79.05498	12.7
81.03426	1.3
81.07053	7.5
83.04991	6.8
83.08614	3.5
85.06557	0.9
87.05444	0.6
91.05486	6.3
93.07050	19.2
95.04970	7.2
95.08611	15.3
97.02879	0.9
97.06541	4.8
97.10181	1.2
98.97590	100.0
105.07077	3.2
107.04961	3.8
107.08603	12.9
109.06497	1.7
109.10193	1.1
111.04427	1.8
111.08089	2.0
116.98627	48.6
117.07004	3.1
119.04961	2.5
119.08588	3.6
121.06532	4.7
121.10151	9.3
123.08105	1.1
125.06013	11.2
130.07805	1.0
134.99667	13.7
135.08083	1.8
135.11700	14.7
137.06087	0.7
139.07516	1.0
140.00209	6.6
145.10132	8.8
153.12708	1.5
158.01260	4.8
163.03944	1.3
163.11189	22.6
181.05022	1.4
181.08591	2.9
181.10011	0.8
181.10414	0.9
181.12239	15.7
181.15909	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50666	1.6
53.03927	2.7
55.01866	2.6
55.05273	3.3
55.05517	44.5
57.04570	3.3
57.07078	19.9
60.59972	2.1
69.07075	100.0
70.78530	1.7
71.08633	3.3
71.53154	2.3
81.07053	2.2
83.04967	5.8
83.08150	2.6
83.08620	31.5
85.10183	4.3
85.22592	1.7
93.07018	2.2
93.87936	1.8
97.06533	3.4
97.10182	34.1
99.05582	10.7
107.08578	1.9
109.06532	2.5
109.10182	1.9
111.11733	14.1
111.13902	1.7
121.10185	3.5
123.08064	4.2
125.06020	9.6
125.13305	3.1
139.11185	3.2
145.10048	3.0
163.11206	10.4
181.08522	2.5
181.12241	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	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
52.31515	1.1
53.03934	2.8
55.01862	4.2
55.05523	6.0
56.96551	3.2
57.06827	1.5
57.07078	18.1
57.26365	1.1
59.05003	2.5
64.60142	1.0
67.05495	3.2
69.03427	1.9
69.07056	3.8
70.86180	2.3
71.04983	3.5
79.05067	1.5
79.05494	14.3
81.03405	5.7
81.07060	16.0
83.04988	34.1
83.08634	7.4
91.05476	10.7
93.03389	1.2
93.07047	21.1
95.04971	16.7
95.08601	2.1
97.06532	21.1
98.97590	44.6
104.95663	1.0
105.07049	7.0
106.04196	1.6
107.04945	6.6
107.08601	14.5
109.06526	8.3
116.97817	1.5
116.98631	21.0
117.07024	3.8
119.08569	7.5
121.06501	7.9
121.09334	0.9
121.10144	29.4
123.04412	4.1
123.08067	3.2
125.05998	58.6
127.07537	2.7
130.07790	3.4
134.99660	4.5
135.04430	4.4
135.08073	5.1
135.11684	12.7
136.05165	1.9
137.05983	13.1
137.09593	1.7
138.06744	4.8
139.11115	1.1
140.00192	1.8
145.10139	29.1
148.03998	1.7
148.05199	36.0
149.02309	3.0
149.05933	3.3
151.03920	4.5
151.11188	4.7
163.03925	3.6
163.11192	94.7
164.07025	1.2
164.11555	1.4
166.06255	1.4
181.08606	100.0
181.12210	39.3
181.15836	1.5
182.08974	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.76850	1.0
52.73770	0.9
55.01862	2.1
55.05521	4.8
56.96558	2.6
57.03431	4.0
57.07081	27.4
59.04990	3.5
62.49260	0.8
65.03917	1.6
67.05502	3.2
69.03416	2.2
69.07071	5.4
69.53084	2.9
69.53518	3.1
71.04996	2.6
73.02907	0.9
79.05496	16.0
81.03414	6.5
81.07069	11.5
83.04986	51.9
83.08617	2.9
85.06566	1.6
89.98055	0.9
91.05483	5.9
93.07049	17.2
95.04366	1.3
95.04973	17.5
95.08597	3.7
97.06537	30.6
98.97591	42.7
105.04505	1.1
105.07050	7.0
107.04964	3.7
107.08600	11.0
107.85625	0.9
109.06506	3.4
109.10122	2.6
110.03748	0.8
111.04493	1.2
111.08013	1.0
116.98624	21.5
117.06983	2.5
119.08577	5.2
121.02873	1.1
121.06527	6.0
121.10148	21.4
122.61254	1.0
123.04399	1.4
123.08009	2.3
125.05997	82.4
130.07793	2.3
134.99693	5.0
135.04427	5.1
135.08043	3.2
135.11696	8.3
137.05995	4.6
138.06776	2.2
140.00208	2.4
145.09042	1.4
145.10138	14.5
148.05196	11.0
149.02332	3.5
149.05962	2.2
151.03889	1.6
151.11188	1.0
163.03964	5.2
163.07512	2.6
163.11189	100.0
181.04973	3.2
181.06371	0.8
181.06775	1.1
181.08620	37.1
181.12227	42.2
181.15807	3.0
184.43674	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03932	0.7
54.20000	0.5
55.05504	0.5
55.20268	0.6
56.42447	0.5
56.96554	1.1
57.03433	0.6
57.07060	1.9
59.04997	2.2
67.05499	1.8
69.03423	1.5
69.07062	2.2
69.80161	3.5
76.38506	0.5
79.05491	4.3
81.07063	5.1
83.04948	1.1
83.08656	0.8
91.05475	2.0
93.07048	11.0
95.08616	11.1
97.06522	1.5
98.09461	0.5
98.97591	22.5
105.07036	1.6
107.04945	0.7
107.08601	24.3
108.10082	0.6
109.10135	1.7
111.04447	1.2
116.98631	8.0
119.08581	2.7
120.09299	0.6
121.06504	2.9
121.10147	11.4
123.08115	2.8
125.06007	2.6
134.99655	1.6
135.11700	29.7
137.13223	1.1
139.07559	5.4
140.00179	0.9
145.10117	8.0
153.12766	1.7
163.11191	23.2
164.74605	0.6
181.12244	100.0
182.12646	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	181.0859
Annotation	80638-48-8
Peak:m/z	Relative Intensity
53.03943	0.9
55.01878	1.9
55.05510	1.2
56.96573	1.3
57.03421	0.5
57.07069	0.3
59.04996	0.3
65.03932	0.5
67.05503	1.6
69.03439	0.8
69.07072	1.1
70.69833	0.5
71.04990	1.0
71.95289	0.5
77.03925	0.4
78.04707	1.1
79.05497	3.6
80.06290	0.3
81.03426	0.7
81.07048	2.0
82.04214	0.3
83.04980	1.3
85.02911	0.3
89.03928	1.1
90.04708	0.8
91.05489	6.3
92.06264	0.6
93.03416	0.6
93.07050	5.0
95.04967	3.3
95.08614	1.8
97.06543	1.4
98.97590	18.0
103.05444	0.4
105.03383	0.7
105.04518	0.5
105.07037	0.9
106.04177	0.8
107.04966	3.3
107.08594	2.4
108.02078	0.2
108.05757	1.5
109.06521	2.2
109.10168	0.5
111.04463	0.3
111.08088	0.6
116.98627	8.5
116.99463	0.5
117.07000	0.5
118.04157	0.7
119.04918	0.7
119.08558	0.8
120.02033	0.3
120.05733	1.0
121.02862	0.6
121.06506	2.4
121.10151	5.3
122.03646	0.7
123.04433	3.6
123.08068	1.8
125.05994	1.2
134.99651	3.0
135.04411	1.6
135.08061	1.1
135.11708	1.5
136.05191	1.9
136.07567	0.3
137.05981	11.7
138.03078	0.4
138.06775	4.8
139.07568	0.3
139.11192	3.0
140.00186	0.7
145.02878	0.3
145.10141	1.6
148.05194	35.5
149.06023	1.5
151.03915	4.0
151.07503	0.3
153.00769	0.3
153.09166	0.5
158.01283	0.5
163.03888	1.1
163.07587	0.5
163.11201	3.2
163.14809	0.8
164.07062	0.3
165.05502	1.2
166.06233	1.3
181.08600	100.0
182.08940	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03930	2.8
55.01872	4.5
55.05512	7.0
56.96566	1.8
57.03435	7.3
57.07059	2.4
59.05009	0.8
65.03931	2.1
67.05508	31.4
69.03421	2.4
69.07065	8.4
70.97496	1.0
70.97815	1.2
71.04987	3.5
73.02896	1.0
79.05493	22.1
81.03387	1.3
81.07059	77.2
83.04966	5.4
83.08636	3.6
85.06526	4.9
91.05484	26.0
93.07045	32.5
93.07636	1.5
95.04972	5.3
95.08610	69.7
96.81384	0.7
97.05924	1.1
97.06535	19.7
98.97574	1.9
99.08096	6.7
105.03400	1.5
105.04497	0.8
105.07035	31.2
107.07880	1.1
107.08600	18.2
108.01530	0.8
109.06538	5.7
109.10155	16.6
109.55753	0.8
110.01212	1.5
110.29962	0.9
111.08093	4.5
117.02079	1.4
117.07017	2.9
119.04960	6.6
119.08585	49.7
121.10152	17.2
121.78754	0.9
123.04450	4.0
123.08072	9.0
123.11726	5.9
126.02578	1.5
130.52628	1.3
131.08575	0.7
133.02869	1.1
133.06488	2.0
133.10136	30.1
135.11696	29.9
136.05162	1.1
137.06021	1.3
137.09644	4.4
137.13255	5.0
146.53922	1.1
147.03378	1.1
147.04428	10.6
147.95915	0.8
151.03888	1.6
151.07526	2.2
151.11153	2.3
151.14772	1.8
161.05931	3.7
161.13263	76.4
162.09131	1.2
179.03407	6.7
179.06981	6.8
179.08444	1.4
179.10745	3.2
179.14314	100.0
179.17780	2.3
180.14664	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03941	2.2
55.01865	2.2
55.05267	1.2
55.05515	15.8
56.96557	2.5
57.03422	4.9
57.07060	4.1
59.04992	1.6
65.03932	2.3
67.05508	91.3
69.03429	6.3
69.06737	1.2
69.07074	13.8
71.05003	6.3
79.05496	18.5
81.03406	4.0
81.07062	62.9
83.04977	3.8
83.08604	3.5
85.10163	1.1
91.05499	13.8
93.07050	25.0
95.04978	16.8
95.08614	100.0
97.06509	1.7
98.20733	2.8
98.97605	1.5
105.07031	16.8
107.08594	11.6
109.06520	9.0
109.10161	56.4
117.07012	1.4
119.04880	1.2
119.07812	1.5
119.08596	19.5
121.10162	5.5
123.08083	13.8
123.11689	1.8
124.52679	1.0
133.10152	6.9
135.03107	1.8
135.11731	7.9
137.09650	15.9
137.10640	2.1
137.13225	1.4
137.53377	1.8
139.53117	1.2
147.04362	2.1
151.14832	13.8
161.09615	1.3
161.13342	6.7
179.03432	1.7
179.06500	2.3
179.10715	1.8
179.14323	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	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03941	3.1
53.25786	0.9
55.01875	4.4
55.05515	18.7
56.96565	2.3
57.03441	6.5
57.07070	5.6
57.65060	1.0
59.04993	2.6
65.03937	1.2
67.05508	50.1
68.31506	1.0
69.03431	4.1
69.07072	17.3
70.03176	2.4
70.03566	3.4
71.05000	6.0
79.05497	24.8
81.03410	2.3
81.07061	100.0
83.04984	3.5
83.08625	6.1
85.06544	2.0
91.05493	13.0
93.07048	22.7
95.04974	14.2
95.08609	84.7
96.89128	1.2
97.06519	4.0
97.10150	1.4
98.97584	2.1
105.07038	16.1
107.04986	1.3
107.08591	11.6
109.06528	15.2
109.10165	26.1
109.10928	1.6
111.08086	3.6
117.07014	1.4
119.04972	1.4
119.08591	17.4
121.10126	6.9
123.08079	16.8
123.11675	2.5
126.02557	1.7
128.52798	1.5
133.10110	8.4
135.11674	7.2
137.09618	7.0
147.04395	2.0
151.11139	1.3
151.14827	6.4
154.62842	1.0
161.13242	11.7
179.03426	2.1
179.06451	4.9
179.10614	1.5
179.14319	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	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
52.92001	1.1
53.03949	3.2
54.23037	1.3
55.01877	8.3
55.05508	6.9
56.96560	5.8
57.03445	6.7
57.07056	1.7
59.04988	1.8
65.03924	1.7
67.05508	34.7
69.03423	2.9
69.07068	9.9
70.02272	3.9
70.02686	2.2
71.04977	3.7
71.93825	1.2
73.02936	1.8
79.05501	21.0
81.03421	2.0
81.07059	77.1
82.33409	1.4
83.04985	6.3
83.08620	3.9
85.02909	1.6
85.06532	6.4
91.05486	30.3
93.07045	33.3
95.04956	5.8
95.08611	72.3
96.01545	1.3
97.06539	12.1
97.96808	2.1
98.97591	3.1
99.08088	6.9
101.00768	2.2
105.03352	1.6
105.07033	32.9
107.08610	14.5
109.02856	1.8
109.06508	6.8
109.10133	8.3
110.01303	2.1
111.08077	4.1
113.09630	1.6
115.05386	1.5
116.52967	1.7
117.02029	2.0
117.07034	2.6
119.01805	2.1
119.04948	13.5
119.08582	43.0
121.06545	2.2
121.10164	14.3
121.52045	2.1
123.04455	7.6
123.08068	8.4
123.11726	1.9
126.02540	3.3
126.83713	1.4
133.02850	1.6
133.06499	5.4
133.10138	33.3
135.10692	2.0
135.11705	30.9
136.05180	2.0
137.05968	2.1
137.09627	2.6
137.13333	1.3
137.53372	2.6
146.03612	1.3
147.04445	18.4
151.03922	6.8
151.11247	2.1
161.05977	6.7
161.09680	2.2
161.13258	82.4
177.98726	1.4
179.03421	13.4
179.07175	10.6
179.10725	4.6
179.14320	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03956	1.3
55.01865	3.0
55.05514	6.7
56.96559	2.5
57.03450	7.9
57.07071	1.6
58.94205	1.0
61.52209	0.9
67.05511	32.8
69.03425	2.1
69.07082	7.4
69.94613	3.3
69.95030	1.8
71.04977	3.5
79.05504	22.2
81.03449	1.0
81.07065	82.5
83.04988	6.5
83.08607	2.7
85.06548	7.6
91.05492	24.6
91.57518	0.9
93.06479	1.8
93.07053	35.0
95.04980	3.5
95.08620	71.0
97.06542	14.2
97.10139	1.1
98.20883	1.1
98.97590	1.5
99.08111	8.2
105.07043	33.4
107.08611	14.0
109.06516	4.2
109.10199	5.2
111.08113	4.5
117.02024	1.2
117.06998	1.6
119.04916	0.9
119.08593	51.0
121.10160	16.8
123.04454	2.7
123.08057	5.6
131.08516	1.0
133.06540	1.0
133.10147	31.6
135.11711	32.4
137.09615	2.2
137.13257	1.9
146.53946	1.1
147.04414	2.3
151.03969	1.8
151.11229	1.7
161.13274	88.6
162.13699	1.0
163.03867	1.0
179.03386	3.6
179.06535	1.4
179.10909	2.5
179.14333	100.0
192.87502	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.27969	0.7
53.03953	6.2
54.66235	0.8
55.01868	6.9
55.05512	24.7
56.96561	0.9
57.03446	3.9
57.07069	2.5
57.65354	0.7
59.04994	1.1
65.03937	3.6
65.53323	0.7
67.05507	90.5
69.03412	1.9
69.06732	1.3
69.07070	16.6
70.55959	0.8
70.92439	2.0
71.04984	3.4
75.47932	0.8
79.05497	63.9
81.03419	19.5
81.07059	100.0
82.07398	1.3
83.04985	30.1
83.08625	14.6
85.06535	3.7
85.37868	0.9
91.05482	53.2
92.32835	0.8
93.07044	39.2
95.04971	10.1
95.08610	76.2
97.06532	31.0
97.10160	3.2
99.08070	2.8
100.39145	0.8
105.07031	30.1
107.08591	12.7
109.06512	7.0
109.10159	15.4
111.08082	8.3
113.09650	10.5
117.02058	1.8
117.07000	1.9
119.04913	1.5
119.08585	36.2
121.10151	6.9
123.08067	5.2
131.08531	1.2
133.10135	25.4
135.11681	8.7
137.09618	3.3
137.13194	0.9
137.53401	1.3
147.04399	1.0
159.11691	1.2
161.06018	1.5
161.13263	20.2
164.04042	0.9
179.03412	3.2
179.06360	6.2
179.10864	1.9
179.14314	78.8
180.14632	1.2
186.21971	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	1.7
57.03418	0.7
61.22707	0.4
71.16925	0.6
82.01437	0.8
82.99846	4.1
85.02933	0.4
87.50105	0.4
87.50816	0.6
95.08657	0.5
98.97595	2.2
100.02473	1.7
100.97227	0.8
101.00887	47.0
102.00990	0.8
105.14032	0.5
109.02872	0.7
110.01276	0.8
110.15236	0.4
115.01215	0.7
115.02412	3.4
116.98628	0.5
117.02100	0.5
119.01927	100.0
120.02055	1.6
121.52101	0.7
122.18486	0.6
126.02593	1.2
132.49753	1.6
133.01665	1.0
133.03482	8.4
137.02963	17.6
137.53317	0.7
141.50290	0.6
142.03519	1.7
143.01910	2.3
147.04294	0.6
151.04568	1.9
156.05081	6.3
161.02966	33.4
173.59119	0.4
174.06183	1.6
175.87950	0.6
179.04024	37.1
180.04221	0.9
184.04533	0.8
189.27098	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.034
Annotation	Esculetin
Peak:m/z	Relative Intensity
50.10236	0.2
50.40984	0.2
55.01870	0.5
55.05515	0.4
56.96558	0.3
65.03938	0.3
67.01858	1.0
67.05505	0.4
68.99798	2.5
69.03429	0.3
69.87592	1.1
71.01369	0.4
73.02914	0.3
77.03942	0.2
79.05492	0.5
81.03402	0.7
81.07052	0.7
89.03883	0.2
91.01862	0.4
91.04597	0.3
91.05492	1.7
93.07043	0.8
95.04975	0.8
95.08592	0.5
97.02888	0.3
98.97586	0.6
103.05479	0.2
105.03401	0.6
105.07055	1.3
107.08592	0.3
109.02863	0.6
109.06523	0.3
109.10146	0.4
110.01267	0.3
111.04427	1.7
115.05470	0.3
117.02077	0.4
117.03329	0.4
117.07017	0.3
119.04932	1.3
119.08588	1.1
120.08129	1.7
121.06518	0.5
121.10193	0.4
121.52023	0.4
123.04459	1.2
123.08056	0.4
127.03950	0.5
133.02840	1.3
133.06505	0.7
133.10129	1.2
135.08031	0.3
137.02324	1.2
137.05957	0.8
137.09618	0.5
147.03471	0.3
147.04445	1.9
151.03932	2.3
151.05023	0.4
151.07619	0.5
151.11104	0.3
155.03363	1.0
161.02364	0.6
161.05968	1.1
161.09618	0.7
161.13234	0.3
166.35181	0.2
168.06241	0.3
179.03404	100.0
179.06706	2.5
179.10550	1.0
179.14311	0.8
179.49669	0.3
180.03711	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03946	3.2
55.05264	1.4
55.05513	15.6
56.45734	1.0
57.07064	2.2
60.49355	1.0
67.05511	9.1
69.03410	1.2
69.07073	26.7
69.57154	6.6
79.05497	20.9
81.03461	1.0
81.07066	27.4
83.08624	16.1
84.97422	0.9
89.03941	5.1
91.05483	10.8
93.07051	59.2
95.04964	1.9
95.08615	53.6
97.10177	5.4
105.07047	8.1
106.04180	1.4
106.40515	1.0
107.08601	75.8
109.06518	1.7
109.10161	14.3
117.03397	8.2
117.07047	1.6
119.08577	2.5
121.06554	1.9
121.10153	100.0
126.39014	1.0
131.08554	1.5
133.10115	1.9
134.03618	1.4
135.11697	25.1
140.82965	1.0
145.02849	17.0
149.06010	4.0
149.13263	8.5
154.54593	0.9
159.11574	0.9
177.05487	5.7
177.09103	1.5
177.12785	3.3
177.16409	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	178.1228
Annotation	N-Pivaloylaniline
Peak:m/z	Relative Intensity
62.18723	0.3
64.16263	0.3
69.79346	1.9
80.05011	0.4
92.04991	0.4
105.07009	0.6
107.08601	0.3
117.06992	0.4
118.03742	0.5
118.06547	5.1
119.07335	7.0
123.82362	0.4
132.08083	0.6
134.09660	46.4
146.03130	0.4
160.11209	0.4
162.09186	1.6
163.09862	0.8
178.12279	100.0
179.12645	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
50.15627	2.4
51.02385	2.0
53.03947	3.2
54.49798	2.0
55.05513	11.5
58.18549	2.1
67.05505	10.2
69.07069	24.3
70.64704	3.8
70.65044	2.8
79.05490	27.8
81.07061	73.9
83.08620	14.3
86.23247	1.9
91.05482	7.8
93.07047	42.5
95.08614	49.0
95.67552	2.3
97.10158	5.3
98.98476	7.0
102.74683	2.2
105.07016	7.4
107.04939	2.8
107.08601	100.0
109.10167	16.1
117.03349	4.0
121.10155	90.5
133.10170	2.9
135.11682	11.5
145.02861	8.2
149.02362	3.1
149.13278	4.4
159.11696	3.4
177.05478	7.7
177.12805	5.0
177.14839	4.3
177.16405	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	177.0985
Annotation	Canavanine
Peak:m/z	Relative Intensity
56.05041	9.6
56.31864	1.6
58.04087	5.7
69.42517	4.2
69.42928	9.0
70.93623	1.9
72.04525	25.6
74.02445	5.3
74.06075	10.1
76.05135	100.0
97.10318	1.7
98.97631	3.9
102.05544	9.8
118.05029	27.9
120.06618	2.8
131.09305	2.0
148.85411	1.8
159.08821	2.3
160.07207	25.7
177.09872	14.3
186.04424	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	177.1277
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03946	2.7
53.43790	1.0
55.01866	5.2
55.05514	8.3
56.96556	1.8
57.03422	2.5
65.03927	2.4
67.05509	27.4
69.03421	1.0
69.07076	13.1
69.98964	3.5
71.05001	1.7
72.04517	2.2
72.08188	1.1
76.05138	8.5
77.25029	1.0
78.04704	2.2
79.05500	35.7
81.03429	4.4
81.07063	40.7
83.04982	7.2
83.08634	8.9
88.02197	1.1
89.03924	15.5
91.05489	45.7
93.07050	63.8
95.04983	8.3
95.08616	25.1
97.06544	9.5
97.10172	1.9
98.20775	1.0
98.98457	7.8
99.08107	1.2
103.05477	4.1
105.04557	1.4
105.07040	23.2
106.04200	6.2
107.04965	2.3
107.08602	41.6
109.06580	4.5
109.10164	6.2
110.07963	1.5
110.72569	0.8
111.08084	1.9
115.05420	1.8
116.06214	1.2
117.03393	32.0
117.07029	31.0
118.05031	3.1
119.08591	10.4
121.06493	7.5
121.10152	54.8
123.11600	0.9
129.06990	1.0
131.01843	1.0
131.04930	1.9
131.06950	1.8
131.08580	40.5
133.10138	52.6
134.03607	4.5
135.04427	3.4
135.08075	7.7
135.11696	18.6
137.09647	2.7
137.47595	1.1
144.09300	1.1
145.02853	44.6
149.02344	4.9
149.05994	17.3
149.07907	2.6
149.09633	4.0
149.13263	15.1
157.10197	1.0
159.08118	2.2
159.11708	74.5
160.07201	2.2
161.09653	1.6
162.03130	2.2
163.03946	1.0
177.04288	0.6
177.05478	28.6
177.09096	5.2
177.12767	100.0
177.16374	34.8
178.13091	1.1
186.05481	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	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
52.57424	0.4
53.00575	0.5
53.03947	1.6
55.01868	0.8
55.05523	1.5
63.02385	1.1
65.03950	0.5
67.05502	1.1
69.07061	2.2
70.67853	1.0
70.68190	0.7
72.04528	0.7
76.05125	1.8
76.70222	0.5
77.03920	0.6
78.04716	1.8
79.05497	2.7
81.03414	1.2
81.07048	1.9
83.08617	1.4
89.03919	36.4
91.05479	6.4
93.07046	6.9
95.04981	0.9
95.08609	3.6
98.98473	1.9
103.05466	2.1
105.07026	2.1
106.04194	4.0
106.07382	0.9
107.04952	0.7
107.08593	9.2
107.91633	0.6
109.06513	0.8
109.10178	2.0
113.02595	0.6
115.05475	2.1
117.03384	69.3
117.07032	3.4
118.05032	0.6
119.04974	0.8
119.08611	1.0
121.06504	6.9
121.10143	9.8
131.04941	2.7
131.08565	1.2
133.06520	0.8
133.10069	0.9
133.38109	0.5
134.03647	8.8
135.04399	4.2
135.08122	0.7
135.11676	2.6
137.05899	0.6
143.02951	0.6
145.02849	100.0
145.06491	2.5
146.03166	1.1
146.07268	14.4
146.08427	0.9
147.04428	1.3
147.08047	1.7
149.02254	0.8
149.05986	22.9
149.09587	0.9
149.13257	0.9
158.05928	0.6
158.47226	0.4
159.04390	0.5
159.08057	0.8
159.11720	1.0
162.03117	1.5
162.06679	2.5
163.03896	3.1
177.05476	39.3
177.09099	20.2
177.12668	3.1
177.14948	0.9
177.16385	7.4
186.05522	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	177.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88332	0.3
63.02394	1.4
65.78944	0.4
70.85300	1.1
73.85024	0.3
76.05126	0.9
78.04716	1.5
79.05486	0.6
83.97444	0.4
84.60104	0.4
89.03923	32.7
91.05471	2.9
93.07040	0.6
98.98447	0.4
102.33340	0.5
103.05457	1.1
105.03407	0.4
106.04184	2.6
107.04932	0.4
116.95508	0.4
117.03387	64.5
119.04933	0.8
121.06490	1.0
121.10165	0.7
131.04877	0.5
134.03644	6.7
135.04437	2.5
145.02852	100.0
146.03241	1.1
149.04784	1.0
149.05986	20.5
158.06056	0.6
162.03105	1.0
163.02603	0.5
163.03922	1.9
177.05475	33.5
186.05508	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
52.87797	0.4
57.07071	0.8
63.02381	0.9
71.32307	0.7
78.04725	2.2
79.05503	0.5
81.07063	1.1
83.08593	0.6
89.03921	30.9
91.05501	3.0
93.07058	1.3
95.08611	1.1
103.05461	1.6
105.07021	0.6
106.04218	2.4
107.08580	2.2
117.03385	65.4
119.04955	0.8
121.06486	0.8
121.10144	2.4
128.79865	0.5
129.04472	0.4
130.17525	0.4
131.04890	0.6
134.03633	6.9
135.04411	3.0
135.11691	0.8
145.02852	100.0
146.03223	1.1
149.05988	22.9
162.03116	1.5
163.03920	2.0
177.05482	36.5
177.12769	0.9
177.16382	1.8
178.05823	0.9
186.05602	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03943	1.6
55.01877	0.7
55.05511	5.4
57.07083	1.2
62.65644	0.5
63.02373	0.9
67.05511	5.0
69.03432	1.4
69.07074	9.5
70.32182	0.5
70.87500	0.6
70.87827	1.3
71.04981	0.6
72.08205	0.5
73.06529	0.6
77.03926	0.7
78.04710	2.1
79.05494	8.0
81.03423	1.0
81.07060	10.8
83.08620	6.7
89.03922	35.0
91.05485	9.0
93.07049	26.6
95.04962	1.7
95.08610	19.6
97.10168	2.0
98.98479	1.6
103.05482	2.5
103.61041	0.6
105.07043	4.2
106.04151	4.4
107.08598	35.5
109.10145	7.1
111.08661	0.6
117.03384	64.7
117.07013	1.9
119.04971	0.6
119.08589	1.7
121.06509	2.2
121.10149	46.0
129.04427	0.6
131.04965	1.0
131.08548	1.9
133.10146	2.4
134.03641	7.8
135.04424	2.4
135.08083	1.8
135.11693	13.2
145.02852	100.0
145.06508	1.7
149.04782	1.1
149.05986	22.2
149.13266	5.4
159.04411	0.7
159.08031	0.7
159.11713	2.3
162.03139	2.4
163.03908	2.5
171.06587	0.5
177.05481	39.9
177.08907	2.8
177.12811	5.8
177.16400	35.0
186.05507	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03952	0.5
55.05516	5.1
57.07071	0.6
65.03936	0.6
66.21558	0.4
67.05507	3.0
69.07081	8.4
70.06571	0.5
71.25410	0.9
73.15221	0.5
77.03912	0.5
79.05499	3.7
81.06584	1.1
81.07065	21.6
83.08630	1.4
91.05492	11.9
91.05971	0.3
93.07053	7.8
95.08620	12.9
98.75089	0.5
98.98492	2.7
103.05452	0.6
105.07044	32.9
107.07880	0.7
107.08607	10.7
109.10165	1.1
115.05499	0.7
117.07024	2.9
119.08595	100.0
121.10155	2.0
129.07002	0.9
129.11829	0.6
131.08604	4.0
132.09396	0.8
132.95831	0.8
133.10146	49.0
145.06583	0.5
145.10139	3.4
146.10887	2.1
147.11708	14.4
160.12454	2.0
173.13260	1.6
175.07510	1.9
175.14847	66.6
176.15224	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98324	0.7
70.02874	1.9
70.03279	1.7
80.56409	0.7
98.21486	1.3
98.97576	0.7
124.78277	0.7
132.02124	100.0
176.01117	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	176.1436
Annotation	Nigrifactin
Peak:m/z	Relative Intensity
51.25555	0.2
54.31265	0.2
60.04509	0.4
60.99214	0.2
62.01600	0.2
64.64691	0.2
67.47601	0.2
69.07079	0.3
70.06579	0.5
70.72357	0.4
70.72689	0.4
71.04968	0.2
72.08125	0.3
77.86636	0.2
79.05500	0.3
81.07042	0.5
83.08640	0.3
84.08945	0.2
88.07608	0.2
89.03906	0.6
91.05463	0.6
92.05812	0.2
93.07042	0.6
94.96284	0.2
95.08609	0.5
98.98462	0.6
105.07037	0.6
106.07349	0.4
107.08597	0.6
111.65554	0.2
116.07085	0.5
117.03384	1.2
118.06547	18.9
119.07330	0.4
119.08583	0.4
120.08080	0.8
120.08928	0.8
121.10118	0.8
130.06534	0.6
130.08632	0.5
131.08585	0.4
132.08096	6.1
133.08853	2.3
133.10001	0.4
134.09616	1.1
134.10489	0.9
145.02815	1.4
146.09644	6.4
147.10426	0.6
148.12057	0.4
149.05966	0.7
158.06075	0.3
159.11784	0.2
160.11223	0.7
161.05936	0.2
161.11934	0.3
176.07056	0.8
176.14346	100.0
177.05457	1.0
177.08942	0.3
177.12923	0.3
177.14684	1.2
177.16251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03929	1.1
53.79215	0.7
55.01853	0.7
55.05523	7.4
57.07080	1.4
63.81366	0.7
67.05488	3.2
69.07076	12.7
69.89383	3.9
69.89727	1.0
75.21964	0.8
79.05492	4.3
81.07063	33.9
83.08607	2.8
91.05489	17.8
93.07057	11.3
95.08617	21.2
97.02891	1.3
98.98461	4.4
103.05500	1.1
105.07042	45.0
107.08611	13.4
109.10157	1.4
115.05476	1.5
117.07040	4.5
119.08591	84.6
121.10134	1.8
129.07011	2.5
131.08557	8.1
133.10144	99.5
134.10425	0.9
145.10138	3.4
146.10915	2.4
147.08066	2.5
147.11696	14.2
157.10147	1.8
160.05266	1.1
160.12500	2.7
169.11836	0.9
173.13298	2.1
175.07608	4.8
175.11417	5.2
175.14841	100.0
176.15166	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03938	0.6
54.05754	0.6
55.05512	4.8
56.96562	0.7
57.07077	1.0
57.84965	0.6
58.07387	0.7
62.06090	0.8
66.45183	0.6
67.05514	2.7
68.32198	0.6
69.07069	10.1
69.46760	3.5
70.06596	1.6
72.08170	0.9
73.02390	0.7
74.97768	0.6
79.05500	3.8
81.03426	0.8
81.07056	13.0
83.04994	0.6
83.08624	2.1
85.02888	0.6
87.04468	1.0
91.05486	11.1
93.07049	6.0
95.04979	1.4
95.08611	10.7
97.02886	2.0
98.21555	1.1
98.98462	10.2
103.05491	1.1
105.03453	0.8
105.07036	32.7
107.05024	0.6
107.08614	4.6
111.04461	0.8
115.05441	3.0
117.07005	2.7
119.04914	0.7
119.08586	61.2
121.10162	1.8
127.03904	1.1
129.06996	1.9
131.08577	4.3
132.05730	0.6
132.09357	1.2
133.10133	100.0
134.10498	0.9
142.07712	0.7
145.10133	4.1
146.10912	0.9
147.04431	0.8
147.08057	1.7
147.11676	8.8
157.10129	2.6
157.17801	1.0
160.05193	3.7
160.12497	2.2
173.13368	1.2
175.06076	1.4
175.07515	6.8
175.11258	8.7
175.14830	74.3
175.18884	8.5
176.10715	2.0
176.15295	0.7
191.30740	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.112
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
51.02397	0.7
53.03952	1.2
55.01871	6.4
55.05520	3.6
56.96560	0.7
57.03437	1.0
65.03942	1.2
67.05513	8.6
69.03424	0.7
69.07076	5.3
70.06602	0.8
71.05011	0.7
71.53986	0.8
72.52389	0.5
76.63326	0.6
77.03973	0.7
79.05497	12.2
81.03423	2.5
81.07064	12.6
83.04972	3.5
83.08596	0.8
85.93929	0.5
87.04482	1.4
91.05486	74.9
92.05809	0.7
93.07041	6.2
95.05000	4.1
95.08620	3.7
97.02900	1.6
97.06567	3.0
98.03715	0.7
98.98466	9.5
103.05437	0.9
105.03375	1.4
105.07039	29.4
107.04960	8.3
107.08595	2.1
109.06515	2.4
109.07201	0.7
111.04456	1.2
115.03907	1.0
115.05452	4.4
116.06252	1.3
117.07008	3.7
119.04932	1.5
119.08588	35.9
121.06518	1.8
121.10155	0.6
127.03854	1.0
128.06245	1.4
129.06030	0.8
129.07013	25.6
131.08580	24.2
133.06493	5.7
133.10139	70.2
141.06976	0.9
142.07771	6.6
145.06506	0.6
145.10110	2.2
147.08049	5.3
147.11702	16.1
157.10136	36.2
160.05209	1.7
175.07603	3.3
175.11195	100.0
175.14789	25.4
176.11507	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1119
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
55.01870	0.9
55.05503	1.4
57.03442	100.0
67.05496	1.9
69.07073	1.0
70.06588	2.4
70.26759	3.3
75.87809	0.8
79.05489	1.7
81.07061	2.9
87.04460	1.1
89.97851	0.8
91.05492	11.8
92.90070	0.8
93.07037	1.6
95.08610	1.3
95.53295	0.7
97.02890	2.7
98.98463	13.6
100.21072	0.8
105.03410	1.0
105.07033	7.5
107.08591	1.0
111.04425	1.4
117.07007	4.9
119.08591	69.2
120.08908	1.0
127.03876	0.7
129.06995	2.4
131.04890	1.3
131.08585	2.1
133.06488	1.8
133.10130	8.2
139.03909	0.9
142.07828	1.5
143.23843	0.8
145.06429	1.0
145.10152	1.2
146.07285	2.6
147.04372	1.1
147.08063	7.8
147.11716	4.5
151.93993	0.9
157.06506	0.8
157.10129	2.0
160.05267	1.3
160.08870	1.0
175.07559	2.9
175.11191	39.4
175.13086	1.9
175.14748	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	175.112
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.61392	0.9
55.05510	1.9
55.63877	0.9
56.96582	5.0
57.03442	100.0
58.43240	0.9
61.37511	0.9
67.05507	2.0
69.07054	0.9
70.06583	1.4
70.25507	2.7
72.47121	0.9
79.05486	3.6
81.07046	3.4
85.24094	0.9
87.04463	1.0
91.05487	13.6
93.07039	2.9
95.04980	1.3
97.02894	2.6
97.10147	1.0
98.03687	1.1
98.98479	23.4
105.07045	8.8
107.08593	1.5
113.02612	1.1
117.07018	3.2
119.08592	47.9
119.38258	0.9
127.03903	1.0
129.06984	2.8
131.08536	2.9
133.04166	0.9
133.06505	2.6
133.10143	7.0
134.04880	1.6
142.07776	2.8
143.05453	2.6
146.07256	1.5
147.08075	4.8
147.11736	4.5
152.05931	3.9
157.10106	4.2
175.07684	1.4
175.11191	38.6
175.14801	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	173.0923
Annotation	Glycyl-L-proline
Peak:m/z	Relative Intensity
56.05041	29.5
56.96552	0.6
58.06614	2.2
58.06833	0.4
60.04519	0.4
67.11464	0.4
68.05028	2.4
69.70805	2.0
70.06591	0.5
73.07687	11.9
83.00890	0.4
83.01337	1.8
86.06076	5.5
88.04002	25.5
94.06575	1.0
96.04522	0.5
96.06886	3.9
98.20752	0.7
98.97584	0.5
101.02396	0.9
102.05498	0.4
109.07658	3.7
111.09236	0.4
114.05534	1.7
115.53500	0.4
116.04074	0.4
119.01949	0.5
132.06567	2.2
155.08165	37.9
173.09235	100.0
174.09572	0.8
174.11232	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.7
55.93512	1.7
56.05840	1.3
56.96574	5.8
58.06607	1.7
60.05651	5.4
67.05516	1.4
69.03407	2.8
69.06731	2.0
69.07072	29.5
70.06572	2.7
70.95866	39.7
72.04507	2.0
72.93790	28.0
73.02899	1.9
73.06545	1.6
82.02914	2.0
82.06590	2.3
84.04501	1.6
84.08131	2.9
85.02909	2.6
86.06068	4.6
86.09708	97.0
88.96909	5.6
90.94843	5.5
96.04484	1.3
97.02876	4.9
97.06532	3.5
98.97586	18.5
98.98360	1.8
99.04434	1.4
103.47524	1.7
111.04473	1.3
111.09184	3.4
111.98481	43.3
111.99255	2.7
112.04778	1.0
112.07611	14.2
113.96394	5.4
114.05521	8.0
114.09162	2.0
114.94780	3.9
115.07578	4.8
116.98606	3.7
118.06562	1.6
119.01797	1.4
128.07080	2.7
128.10890	1.5
128.11841	42.0
129.10280	6.4
129.99515	11.2
130.06577	1.7
131.97446	2.2
132.08066	3.1
132.10208	14.1
132.95837	100.0
142.04990	3.3
145.01709	2.2
146.06023	2.4
150.96893	77.4
153.04910	1.8
155.97424	44.1
156.10143	1.9
156.11325	3.9
157.09731	7.7
158.99632	9.2
162.05435	10.7
162.55659	2.7
171.06007	3.2
173.98491	34.5
174.05582	2.0
174.07526	3.0
174.10939	3.1
174.12418	60.0
177.00719	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	171.1381
Annotation	Sobrerol
Peak:m/z	Relative Intensity
55.01870	13.1
55.05514	51.8
57.03440	26.2
57.07077	24.1
59.04732	3.3
59.05001	14.7
65.03954	4.9
65.96313	3.3
67.05506	39.5
68.99796	3.0
69.03426	10.6
69.07071	72.2
70.06579	2.9
70.81726	8.2
70.90994	3.3
71.05003	17.5
71.08556	2.9
72.04517	51.2
72.08172	4.8
73.06173	5.9
73.06559	82.6
79.05499	20.2
79.11873	2.6
81.03418	3.6
81.07068	45.0
83.04978	16.0
83.08629	36.2
84.08132	3.2
85.02908	9.2
85.06543	27.0
85.10159	3.2
86.09727	6.1
87.04458	3.1
88.51118	2.8
88.71275	3.1
89.07157	41.4
91.05470	7.2
93.07047	32.2
95.04945	23.0
95.08611	100.0
97.02892	6.1
97.06541	30.6
98.97555	3.9
99.08092	19.4
100.02446	3.5
101.06012	5.6
107.08598	42.5
108.08977	3.9
109.02883	2.7
109.06490	6.8
109.10158	48.1
111.00777	5.1
111.04466	25.1
111.08091	34.8
111.11655	2.8
113.09653	39.2
113.53192	3.6
115.05499	3.9
120.53994	3.5
123.11686	7.4
125.05994	5.6
125.09635	10.0
126.09211	2.8
127.11195	66.8
128.02301	4.2
128.06247	13.4
129.07004	4.4
135.08017	3.8
135.11682	35.4
139.00240	7.9
139.03922	17.1
141.06995	5.3
141.12813	3.1
142.07727	2.8
143.08534	18.9
153.09129	7.2
153.12743	58.8
156.09355	44.0
171.02908	6.5
171.05440	5.0
171.08023	12.1
171.10178	5.7
171.11644	42.5
171.13782	31.0
171.14955	40.6
185.06577	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	171.1381
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
55.01377	2.2
55.01857	7.0
55.05515	26.6
57.03441	23.3
57.07063	3.7
59.04989	6.3
65.03936	3.9
67.05509	32.9
69.03413	6.6
69.07069	36.2
70.06578	3.8
71.04999	66.4
72.04522	21.0
72.08157	3.5
73.02913	2.3
73.06557	10.7
78.00449	2.4
79.05497	25.4
81.06583	4.6
81.07061	93.0
83.04984	19.4
83.08634	15.6
85.02886	3.9
85.06554	11.4
89.07176	17.5
91.05470	9.4
93.03461	2.2
93.06475	4.0
93.07047	56.0
95.04980	10.6
95.08614	79.1
97.02881	3.7
97.06532	27.1
97.10178	2.8
99.04413	2.7
99.08089	7.5
105.07018	3.0
107.08601	61.7
109.06512	6.1
109.10172	30.6
111.04452	22.9
111.08095	15.5
112.07594	4.8
123.11721	22.5
125.09641	12.5
128.06218	7.0
128.07140	2.0
129.07001	4.5
130.07825	2.2
131.04816	2.6
131.57486	2.1
135.08086	2.7
135.11696	61.6
139.00200	4.1
139.03900	16.4
141.06996	15.7
141.12729	34.9
142.07744	2.9
143.08589	13.2
153.05499	2.4
153.09151	16.0
153.11517	3.6
153.12753	67.5
155.08560	4.7
156.09351	100.0
171.02911	5.3
171.05522	2.6
171.07928	3.3
171.10263	5.3
171.11682	88.9
171.13736	7.2
171.14964	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	171.1381
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
53.03937	1.9
55.01867	2.0
55.05515	15.7
57.03442	10.4
57.07073	0.7
59.05006	2.5
61.02593	0.6
65.03955	1.4
66.77299	0.7
66.91635	0.8
67.05511	9.2
68.99786	1.7
69.03424	2.3
69.07074	11.5
70.06599	1.6
70.78378	1.0
70.78712	1.6
71.04997	13.8
72.04522	7.5
72.08141	1.0
73.06559	8.5
79.05497	12.3
81.07061	100.0
83.04971	4.2
83.08612	7.2
85.02921	2.7
85.06555	2.9
89.07164	7.0
91.05507	2.3
93.07050	11.8
95.04969	1.8
95.08609	10.7
97.06539	9.0
97.10145	1.4
99.04462	1.0
99.08098	32.2
101.06025	1.3
107.08598	13.9
109.06553	1.2
109.10161	13.7
109.10841	1.2
111.04470	6.7
111.08096	4.6
113.09656	1.3
123.11680	4.5
125.09586	3.5
127.11221	1.9
128.06255	1.2
129.07005	0.8
129.10284	0.8
135.08058	1.0
135.11707	11.8
139.00278	1.3
139.03900	3.7
141.06949	1.2
141.12770	6.6
143.08621	2.8
153.09177	4.2
153.12769	15.6
156.09375	5.0
171.02953	1.4
171.04366	1.1
171.06509	1.3
171.07970	1.9
171.10216	2.0
171.11699	6.2
171.13760	2.4
171.14973	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	171.1381
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
55.01863	5.0
55.05520	38.2
57.03439	4.6
57.07066	10.1
63.67460	3.9
67.05493	10.8
69.03421	7.2
69.07071	100.0
71.05003	9.2
71.53755	7.7
72.04517	61.4
72.08148	5.1
73.02965	3.7
73.06587	3.8
79.05499	14.9
81.07048	38.7
83.01347	5.5
83.04980	12.3
83.08620	36.7
84.04519	6.0
85.02941	10.1
89.07154	53.8
91.05466	6.6
93.07041	43.0
95.08623	19.9
97.06537	24.2
99.04465	4.9
105.06975	4.1
107.08605	44.2
107.11402	4.8
109.06518	6.5
109.10166	36.5
111.04438	12.7
111.08088	17.1
111.11704	5.7
123.11803	4.6
125.06011	4.8
125.09608	7.9
128.06232	13.0
129.06999	6.3
135.11699	32.8
139.00217	6.3
139.03900	8.3
141.06990	10.9
143.08568	17.6
153.05482	5.3
153.09081	7.7
153.12779	16.7
156.09344	44.2
170.63042	4.6
171.11674	37.7
171.13695	6.2
171.14963	52.6
172.11098	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	171.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
54.61485	0.3
55.01860	1.6
55.05510	5.2
56.76055	0.4
56.96557	0.7
57.03157	0.4
57.03439	7.1
58.06602	44.7
65.03935	4.1
67.05488	0.6
68.99786	1.3
69.03416	1.3
69.07064	1.2
70.06583	1.1
70.94270	0.5
71.05003	0.6
71.06914	0.3
71.16762	0.6
72.04523	2.6
79.05491	2.4
81.03408	1.1
81.07045	1.4
83.04981	2.8
83.08620	1.4
84.08144	1.3
85.02901	1.0
87.09235	16.4
88.95316	0.7
89.07147	2.3
91.05510	0.7
93.03410	1.2
93.07046	1.4
95.04974	0.6
95.08600	0.5
95.59308	0.3
97.02875	0.5
97.06565	0.7
97.07632	0.5
98.06062	12.1
98.97610	0.7
107.04945	1.9
107.08589	1.1
108.88850	0.3
109.06506	0.5
111.04450	11.9
111.08077	1.3
112.07647	0.7
115.08695	100.0
116.02094	0.4
116.09048	0.5
121.03992	1.2
125.06007	0.7
125.09627	0.7
125.11546	0.4
126.05556	0.4
127.03937	0.4
129.10236	4.1
129.54466	0.7
135.04424	1.1
135.08040	0.6
139.00320	2.1
139.03908	14.9
147.54706	0.4
153.05443	0.5
153.09085	0.9
153.10228	9.7
153.11447	0.6
157.01396	0.6
159.83578	0.3
171.02937	2.1
171.06561	1.3
171.07990	0.5
171.11264	5.8
171.14977	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	171.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01873	2.8
55.05512	9.5
56.05041	0.8
56.96563	0.7
57.03444	2.1
57.07079	1.3
58.06596	0.9
59.80115	0.3
61.02909	0.3
65.03949	2.9
67.05506	4.5
68.99788	1.3
69.03426	1.6
69.07069	3.9
70.06593	2.1
70.94267	0.5
71.05013	2.2
71.06934	0.8
71.08634	0.7
71.52673	0.5
72.04520	9.0
72.08160	26.8
73.02921	0.9
79.05493	4.4
81.03410	0.9
81.06584	0.6
81.07063	9.0
83.01344	0.4
83.04999	3.5
83.08625	4.4
84.04510	0.5
84.08156	0.8
85.02916	2.0
85.06561	0.7
87.04482	0.6
88.95293	0.5
89.07164	7.6
91.05469	1.7
93.03404	1.3
93.07048	4.3
94.34607	0.3
95.05003	1.5
95.08591	1.7
96.08129	0.7
97.02885	0.8
97.06541	2.0
97.08456	0.4
97.10169	0.7
98.09697	100.0
98.97559	0.5
99.04420	0.8
99.10053	0.9
100.07645	0.5
105.07063	0.4
107.04942	0.8
107.08598	7.4
109.02874	1.1
109.06531	2.3
109.10150	3.3
110.74657	0.3
111.04450	12.0
111.08096	3.4
113.06046	0.4
115.05456	0.9
115.08693	0.9
117.07021	0.6
119.01900	0.9
120.53991	0.6
121.02802	0.4
121.03991	0.8
125.02354	0.6
125.06026	1.8
125.06952	0.3
125.09647	2.8
125.11600	0.6
126.09140	0.6
127.03915	1.1
127.11208	0.5
128.06206	0.8
129.07008	1.0
129.10289	0.9
129.54521	0.4
135.08017	1.6
135.11699	1.4
139.00291	2.3
139.03909	11.5
143.01907	1.4
143.03526	0.4
143.08687	2.0
143.11803	56.0
144.08047	0.5
144.12120	0.5
148.97470	0.3
153.01849	0.6
153.05472	0.9
153.07103	0.7
153.09128	4.0
153.12747	0.8
154.08646	0.6
155.02023	0.5
156.09360	1.2
157.01326	1.3
161.02960	1.1
171.02913	2.3
171.04358	0.8
171.06488	1.7
171.08044	1.4
171.10071	1.8
171.11389	7.6
171.14934	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	171.0652
Annotation	AC1OCV3S
Peak:m/z	Relative Intensity
53.03947	0.9
55.01872	5.2
55.05512	3.3
56.96574	4.4
58.06604	6.9
65.03944	19.8
67.05506	2.7
68.99796	6.4
69.03435	1.5
70.42070	0.5
70.97054	1.3
72.04518	1.0
73.51058	0.7
79.05495	1.4
81.03419	2.5
82.51582	2.6
83.04988	9.4
83.08627	0.6
83.97628	1.0
87.09227	0.6
89.07165	1.1
91.52122	1.2
93.03408	11.0
95.04971	2.7
96.02130	0.9
97.02885	0.6
107.04955	1.0
109.02847	0.5
109.53879	1.0
110.51027	0.8
111.04446	69.8
112.07579	2.5
115.08698	5.2
115.53924	0.7
118.54412	1.1
119.51494	0.7
119.86913	0.4
120.53087	1.4
121.02928	1.1
121.03992	7.7
124.54422	1.0
128.00172	1.2
129.10248	18.1
129.53625	5.5
129.54486	0.6
138.54147	11.0
139.03906	100.0
140.04276	0.8
143.03558	0.6
146.01279	2.1
147.54674	10.3
148.04869	0.7
150.05016	0.6
156.03317	0.7
156.55257	0.7
164.02371	1.6
171.06544	8.2
171.11238	1.1
186.04384	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	1,2-Campholide
Peak:m/z	Relative Intensity
53.03947	3.2
55.01877	1.9
55.05513	5.5
57.03423	1.6
57.07080	9.3
57.35595	0.9
59.05013	1.8
60.92883	1.0
64.84788	0.8
65.03941	2.0
67.05512	20.3
69.03457	2.6
69.07074	7.3
71.05005	5.2
71.08641	1.4
71.53726	1.1
72.08158	1.8
75.86190	1.0
79.05491	5.4
81.03429	3.0
81.07064	20.4
83.04975	2.6
83.08620	5.1
84.08105	1.3
85.02898	1.4
85.06554	1.9
85.10223	1.0
91.05482	3.8
93.07054	7.8
95.04961	8.6
95.08604	7.1
97.02861	1.6
97.06551	1.8
99.04444	2.1
99.08114	1.2
105.07044	4.1
107.04945	1.2
107.08611	7.6
109.02886	7.5
109.06554	7.5
109.10165	79.6
111.00797	2.1
111.04447	2.8
111.08091	100.0
113.77941	0.9
115.05468	1.5
121.10177	1.0
123.04440	6.2
123.08083	6.4
123.11720	9.2
124.04670	1.8
125.06002	1.8
125.09648	1.5
126.03133	3.8
127.03929	2.2
127.11203	96.6
133.02852	7.7
133.10135	4.3
139.11217	1.3
139.97580	1.0
141.05482	12.8
141.07011	6.6
141.12732	2.1
151.03918	3.8
151.07544	2.3
151.11195	8.1
154.07750	1.1
169.04987	11.3
169.06494	7.0
169.07632	1.3
169.08688	2.2
169.10048	3.5
169.12245	20.6
170.08150	1.5
170.09642	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	170.154
Annotation	Nitramine
Peak:m/z	Relative Intensity
53.03970	1.1
55.01884	4.8
55.05513	17.3
55.93521	1.1
56.96561	1.8
57.03437	2.3
57.06791	1.0
57.07079	19.6
58.06608	2.2
59.05013	1.1
61.19312	0.8
67.05503	8.4
69.03426	2.3
69.07072	100.0
69.93844	1.6
69.94240	1.3
70.06601	2.8
71.05002	3.7
71.08639	12.7
72.04529	5.5
72.08161	11.6
79.05501	9.0
81.07065	21.9
82.06586	1.5
83.04988	8.0
83.08625	21.1
83.09122	1.2
84.08150	1.0
85.10207	0.9
86.06072	14.8
86.09715	2.3
89.07149	1.3
91.05504	1.3
92.05013	1.6
93.05796	1.8
93.07052	20.1
95.08611	20.3
96.08154	1.7
97.06543	33.3
97.10182	2.9
98.09706	1.2
100.07625	28.5
106.06599	1.0
107.08604	29.5
109.10166	13.4
110.06068	1.7
111.08089	14.3
111.11727	23.9
112.11296	1.0
114.09175	38.7
124.07590	4.7
125.13297	1.9
128.07018	1.1
128.10753	3.9
128.14374	5.4
128.95113	3.6
133.15630	0.7
135.11703	55.8
142.08652	2.6
146.96141	2.2
152.07043	3.8
152.14319	1.6
153.12755	50.1
170.08133	6.5
170.09668	10.8
170.11803	1.8
170.15414	62.0
171.11682	1.3
171.14905	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	169.1225
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
50.22022	1.6
53.03954	3.9
55.01875	2.4
55.05518	21.0
57.03427	5.3
57.07064	6.0
59.10935	1.8
63.90713	1.8
65.03941	3.6
67.05509	69.7
67.47972	1.6
69.03434	8.3
69.07071	32.3
70.01262	6.7
71.04999	27.2
71.08633	3.8
72.08155	2.6
76.00070	2.0
77.03906	1.8
79.05502	17.2
81.03413	6.4
81.07063	84.7
83.04985	9.4
83.08624	6.1
85.02896	4.2
85.06541	22.9
91.05485	19.9
93.05800	2.5
93.07056	21.1
94.62971	2.1
95.04964	12.5
95.08624	25.0
97.06548	9.3
98.20827	3.1
99.04453	8.6
99.08081	3.0
100.23797	2.0
102.03369	2.2
105.07027	28.6
107.08609	41.4
109.02905	11.8
109.06530	14.9
109.10164	100.0
111.00824	2.6
111.04428	5.3
111.08083	9.8
113.06001	5.8
123.04442	14.1
123.08112	8.9
123.11723	23.8
124.04646	5.6
124.07591	3.9
125.09602	3.9
126.03138	9.7
127.03923	3.6
127.07565	4.1
128.95073	3.4
133.02847	14.5
133.10136	40.3
141.05484	27.0
141.07074	3.0
151.03896	8.0
151.07530	2.1
151.11183	25.5
151.14856	2.4
152.07118	2.1
169.04982	14.6
169.07605	6.5
169.08803	2.8
169.10010	4.1
169.12260	6.3
169.15941	3.4
170.08125	4.5
170.09567	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	169.1225
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
53.03945	2.0
55.01877	1.4
55.05518	19.9
56.96566	1.6
57.03441	3.1
57.07079	4.0
58.86456	0.5
59.05000	1.4
65.03942	2.4
66.33408	0.6
67.05510	62.2
69.03429	2.8
69.07072	8.8
69.87449	2.7
71.04997	13.2
71.08629	0.7
72.08180	0.7
72.93764	0.8
79.05501	15.2
79.05965	1.0
81.03419	1.8
81.07063	100.0
82.07403	0.8
83.04986	3.9
83.08611	4.1
85.02900	1.6
85.06550	14.2
91.04915	0.6
91.05485	11.8
93.07045	5.0
95.04989	2.3
95.08616	5.6
97.06551	2.3
97.10171	1.1
97.26348	0.5
98.20863	0.5
99.03921	0.5
99.04455	3.1
102.03358	0.7
105.07038	10.4
107.08606	11.6
109.02879	3.2
109.06531	4.6
109.10162	26.5
111.00819	2.0
111.04471	1.5
111.08105	1.7
113.06017	2.2
113.96420	0.6
114.04247	0.7
121.10139	0.7
123.04440	1.8
123.08097	2.5
123.11708	7.7
124.04680	1.5
125.05940	0.8
125.09610	1.2
126.03135	2.0
127.03899	0.7
127.07594	1.6
128.95132	0.8
133.02861	1.6
133.10141	12.3
139.01071	0.6
141.05501	7.5
141.07007	1.2
151.03931	2.3
151.07603	0.7
151.11209	8.0
154.07843	0.7
169.04979	4.5
169.06248	0.7
169.07635	1.3
169.10123	1.9
169.12163	2.5
170.08220	1.2
170.09656	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
53.03924	0.3
55.01859	0.4
55.05511	0.4
55.26606	0.4
56.28087	0.3
65.03934	0.7
67.01878	2.9
67.05518	2.6
68.99777	1.8
69.03432	0.7
69.07048	0.6
70.06591	2.3
71.04987	0.6
71.06919	0.9
71.22240	0.8
81.03417	1.3
81.07047	2.0
83.04964	0.7
85.02894	0.8
91.05514	0.5
93.07056	0.9
95.04371	0.5
95.04974	6.4
95.08591	1.1
99.04435	0.9
105.07014	0.4
107.08569	0.9
109.02878	2.7
109.06523	0.7
109.10180	1.0
109.93121	0.3
111.00809	1.4
111.08079	1.5
123.04439	26.6
123.08110	0.6
123.11737	0.6
124.04682	0.4
126.03139	2.0
127.03918	8.1
133.02844	1.1
133.10139	0.6
141.05498	6.2
151.03917	42.3
151.11203	1.0
154.02640	0.4
169.04974	100.0
170.05330	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	Orsellinate
Peak:m/z	Relative Intensity
53.03928	0.5
55.01854	0.8
55.05504	0.9
55.92339	0.4
57.03431	0.7
57.07069	0.6
59.04976	0.5
65.03939	1.1
67.01867	3.0
67.05510	4.5
68.99781	2.4
69.03403	0.5
69.07058	1.6
70.06252	0.8
70.06598	8.5
71.05001	2.4
71.06928	5.4
71.31882	0.8
79.05499	1.6
81.03426	2.8
81.07062	4.9
83.04973	1.9
85.02903	2.0
89.37032	0.4
91.05463	1.0
93.07049	2.0
95.04979	6.8
95.08627	2.6
97.02917	0.6
97.06553	0.6
99.04442	0.9
99.08100	0.5
104.99725	0.5
105.04491	0.5
105.07001	1.1
107.08604	1.9
109.02895	4.6
109.06496	1.8
109.10161	2.8
111.00798	1.6
111.04485	1.0
111.08077	1.8
123.04438	26.8
123.08069	2.0
123.11727	2.1
124.04714	0.4
125.05941	0.7
126.03149	3.8
127.03922	8.0
127.07521	0.8
127.11121	0.5
133.02840	2.7
133.10133	0.7
134.05977	0.5
141.05484	8.9
141.09087	0.5
146.12460	0.9
151.03914	43.4
151.07523	1.2
151.11177	1.2
169.04973	100.0
169.12282	1.3
169.14310	0.8
170.05344	1.3
170.42784	0.5
189.96910	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1795
Annotation	2,6-Dimethyl-decahydronaphthalene
Peak:m/z	Relative Intensity
55.05515	70.2
57.07083	11.6
64.47477	1.3
64.98765	1.4
69.07073	100.0
71.08636	9.2
71.14768	1.3
81.22140	1.8
83.08624	30.9
85.10176	4.9
97.10174	40.6
111.11733	16.1
125.08248	9.5
125.13265	1.5
126.38004	1.3
149.02362	2.6
150.05537	1.9
163.67032	1.4
173.96500	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	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02392	0.7
53.03943	2.2
55.01874	5.5
55.05511	2.7
56.30384	0.5
57.03440	1.3
63.84748	0.4
65.03961	2.5
66.04706	0.4
67.05509	32.3
68.84250	0.4
69.03432	1.3
69.07081	2.1
70.06606	2.1
71.04991	1.4
71.53460	0.7
77.03940	0.9
78.04704	3.3
79.05499	64.1
81.03414	1.1
81.07049	4.9
83.04978	3.8
83.08628	0.7
85.02911	0.6
87.04476	1.1
91.05484	12.9
93.03400	0.5
93.07050	29.7
94.07384	0.5
95.04984	3.2
95.08614	1.9
97.06520	2.7
97.10155	0.7
102.98421	0.4
103.00671	0.7
103.05486	0.7
104.05777	0.4
105.03378	2.1
105.04541	1.3
105.07036	16.5
106.04184	1.7
107.04964	3.1
107.08601	100.0
108.08941	1.0
109.02872	0.7
109.06522	3.9
109.10172	1.2
111.04449	2.7
111.08086	0.8
119.04926	1.0
119.08581	2.2
121.01664	1.1
121.02867	0.9
121.05544	1.2
121.06519	4.6
121.08452	2.6
121.10150	25.6
123.04434	8.2
123.08080	1.6
123.11671	1.0
124.05205	1.5
125.06001	1.4
125.09647	1.3
128.20618	0.4
129.07007	0.6
131.07585	0.9
131.08577	18.0
135.04349	0.6
137.09616	1.9
139.07547	1.2
139.11197	0.9
144.03290	1.1
147.04422	0.8
149.02361	4.6
149.03535	0.8
149.04948	3.2
149.05992	0.7
149.09630	27.3
151.03906	1.2
152.04666	1.5
167.03409	4.3
167.07045	34.5
167.10684	9.6
167.14259	1.0
180.48869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1069
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
52.44971	0.4
53.03947	2.6
55.01876	5.1
55.05517	3.7
57.03435	0.7
65.03949	2.3
66.04715	0.9
67.05508	33.8
68.05036	0.5
68.25513	0.5
69.03437	1.0
69.07069	3.2
69.50330	2.6
69.50739	1.0
70.06592	1.7
71.04987	1.7
72.08160	22.5
78.04716	11.1
79.05497	57.8
81.03422	1.0
81.07055	6.5
83.04980	3.5
83.08643	1.1
85.02901	1.0
85.06537	0.5
87.04475	1.3
91.04901	0.7
91.05480	12.7
93.03430	0.8
93.07047	29.9
95.04964	4.2
95.08626	3.0
96.05789	0.5
96.08133	5.9
97.06530	3.3
99.04498	0.5
103.00620	1.2
103.05462	0.7
105.03394	2.4
105.04534	1.0
105.07035	12.1
105.07685	0.9
106.04184	5.3
107.04972	4.4
107.08598	100.0
108.04549	0.5
108.08121	0.8
108.08928	1.0
109.02888	1.3
109.06525	3.7
109.10172	1.8
111.04453	1.0
111.08084	0.7
116.06242	0.6
118.06554	0.7
119.06045	1.3
119.08613	1.8
121.01665	2.3
121.02906	0.8
121.06522	2.7
121.08434	1.8
121.10148	26.1
122.03681	1.4
122.09686	1.6
123.04437	20.5
123.05327	1.2
123.08067	1.0
123.11701	0.8
124.05220	5.5
125.06035	1.3
125.09631	1.4
126.05534	0.6
131.08572	16.9
134.03606	0.7
135.04428	0.8
137.06015	1.0
138.06418	0.4
138.07944	0.6
139.07549	1.7
139.11211	1.1
144.03282	1.9
149.02348	4.2
149.04977	0.8
149.06056	0.9
149.09628	21.0
149.13269	0.8
150.12802	6.6
151.03905	4.2
152.04684	4.5
167.03404	3.8
167.07047	99.6
167.10686	4.4
167.11858	4.6
167.14227	1.0
167.15485	1.3
167.62065	0.6
176.14299	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0857
Annotation	Phenalene
Peak:m/z	Relative Intensity
53.03943	1.9
55.01874	1.1
55.05510	2.0
57.03438	1.4
63.15849	0.6
67.05499	2.5
69.03463	0.8
69.07062	2.2
70.06604	1.1
71.04996	1.2
71.53748	0.8
78.04709	4.7
79.05495	15.9
81.03410	1.1
81.07063	3.5
82.06515	0.7
83.04960	2.6
84.96023	1.0
85.02859	0.8
85.06536	1.0
91.05480	3.2
93.07056	6.3
95.04961	2.8
95.08607	1.8
97.06525	2.3
103.00629	1.3
105.03379	2.0
105.04517	1.1
105.07059	1.4
106.04173	2.6
107.04948	2.8
107.08599	7.7
109.02885	1.1
109.06503	1.8
109.10167	1.4
111.04426	1.5
111.08085	1.1
119.96240	0.6
121.01682	3.1
121.02888	1.3
121.06499	2.4
121.08424	2.6
121.10151	3.6
123.04430	10.1
123.08044	1.5
123.11750	1.0
124.05260	3.6
125.06010	1.9
125.09619	1.0
131.08586	0.9
134.03642	0.9
135.04431	1.2
137.06000	1.1
139.02679	1.3
139.07532	1.1
143.96811	0.8
144.03247	2.4
149.02367	7.2
149.05963	1.0
149.09612	2.1
149.13248	1.6
151.03894	1.7
152.04733	2.4
152.06219	28.4
165.05580	1.2
165.07011	29.5
166.07784	10.6
167.03445	4.0
167.07059	45.6
167.08568	100.0
167.10556	3.8
167.14334	1.8
168.08926	1.0
169.06514	1.5
182.00264	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
52.04871	0.6
53.03946	2.0
55.01876	3.6
55.05518	3.7
57.03447	3.1
59.05000	0.8
61.56271	0.5
65.03947	1.4
65.20895	0.6
67.05511	25.7
69.03426	1.5
69.07075	4.9
69.54268	1.8
69.54681	2.3
71.01350	1.6
71.04990	2.4
77.03928	0.7
78.04732	1.2
79.05502	58.5
79.68134	0.5
81.03413	1.9
81.07063	7.4
83.04988	4.6
83.08616	2.1
85.02913	1.0
85.06541	1.0
91.05485	10.3
93.07051	34.6
95.04967	2.6
95.08611	5.0
95.72438	0.5
97.02921	0.6
97.06543	3.3
97.10175	0.6
98.21523	0.6
99.04467	0.8
103.05428	1.0
105.03402	1.8
105.04480	1.3
105.07037	12.9
106.04191	1.3
107.04955	2.3
107.08604	100.0
108.08931	1.3
109.02837	0.6
109.06546	2.8
109.10172	1.8
109.92261	0.6
111.04441	1.3
111.08115	1.3
119.06094	0.8
119.08606	1.7
121.01732	1.2
121.02964	0.6
121.06544	1.5
121.10155	41.1
123.04440	4.3
123.08071	3.5
123.11737	1.1
124.05225	1.0
125.06007	1.2
125.09653	1.9
129.06992	0.7
131.08583	13.8
134.03609	0.6
139.03899	0.8
139.07538	1.4
139.11185	2.5
149.02350	4.2
149.05986	0.9
149.09630	21.0
149.13278	1.7
167.03413	2.6
167.07051	15.1
167.08456	0.7
167.09113	0.9
167.10681	9.4
167.14279	3.0
185.78241	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02367	0.3
51.10968	0.2
52.36697	0.2
53.03929	1.3
54.09771	0.2
55.01867	0.5
55.05502	0.3
56.96567	0.3
65.03925	0.6
66.04699	0.6
66.44350	0.3
67.05492	0.8
69.03425	0.5
69.07058	0.7
70.06573	0.9
70.91293	0.5
71.04973	0.5
77.03912	0.4
78.04709	12.9
79.05492	10.9
81.03415	1.0
81.07039	0.9
83.04961	0.7
85.02885	0.4
91.05460	0.9
93.03406	0.6
93.07043	1.0
94.04212	0.5
95.04971	1.9
96.05751	0.8
103.00616	0.9
105.03397	2.1
105.04497	1.0
105.07032	0.4
106.04173	5.9
107.04980	2.4
107.08562	0.7
109.02894	1.6
109.06499	0.7
110.03634	0.3
111.04427	0.4
111.08070	0.4
114.56503	0.3
114.66741	0.3
120.02043	0.5
121.01692	1.4
121.02843	1.0
121.06502	1.0
121.08402	0.6
121.10121	0.6
122.03656	1.4
123.04427	22.2
123.08094	0.3
124.05218	5.3
126.02275	0.3
134.03619	1.6
135.04410	1.0
137.02357	0.4
137.05962	1.0
139.07549	0.5
143.06801	0.3
144.03249	1.5
149.02361	2.0
149.04945	0.6
149.06003	0.4
149.09663	0.5
150.03070	0.4
151.03905	4.3
152.04684	5.3
158.41934	0.3
165.05495	0.3
167.03433	1.7
167.07030	100.0
168.04201	0.4
168.07352	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
51.81653	0.7
53.03944	1.7
55.01872	2.9
55.05512	7.0
57.03439	6.1
57.07069	0.7
60.08428	0.7
65.03952	1.3
67.05508	29.7
69.03445	3.4
69.07067	7.2
70.47139	1.8
71.05003	1.2
77.03934	1.0
79.05145	0.4
79.05495	28.4
81.07061	73.1
83.04979	7.2
83.08606	1.1
85.06553	4.5
91.05487	37.1
93.07049	39.4
95.04963	4.6
95.08614	19.1
97.06528	7.3
99.08105	1.3
101.00851	0.8
105.07037	61.2
107.07878	1.0
107.08597	19.7
109.06523	9.1
109.10166	2.8
114.71238	0.7
115.59654	0.8
119.01956	1.0
119.04961	3.3
119.08588	49.1
120.08931	0.7
121.10149	59.5
123.08077	5.5
123.11705	8.3
132.51512	0.7
136.96906	0.7
137.09618	2.0
137.13287	1.3
142.03510	1.4
145.10136	1.7
147.04451	6.7
147.11694	100.0
148.12019	0.8
161.90227	0.7
164.43629	0.7
165.12766	81.8
166.13091	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55566	0.4
53.03937	1.0
53.42555	0.4
55.05516	4.6
56.05040	1.9
56.96566	0.9
65.03941	0.5
67.05515	3.1
68.05021	2.9
69.03429	27.6
69.07064	1.4
69.16395	0.6
69.16795	4.6
70.06592	18.4
71.55901	0.5
79.05496	10.7
80.05022	1.7
81.07058	41.9
82.06590	0.8
83.08598	0.6
83.93044	1.4
84.04499	2.2
84.08142	2.3
86.06070	32.0
92.05821	0.5
93.07042	0.9
94.06579	2.0
95.04959	0.5
96.08133	21.2
97.08504	0.4
98.06057	100.0
98.09675	1.4
99.06429	0.5
102.02219	0.6
103.05475	1.1
104.39182	0.5
105.15542	0.6
107.04956	0.9
107.08558	0.5
110.06093	0.6
110.09721	0.5
112.07605	20.1
116.01324	0.5
116.97324	0.4
119.01912	0.7
120.02024	1.3
120.05234	0.7
120.08114	12.0
120.08885	0.4
121.06477	2.4
124.07591	69.4
125.07889	0.5
128.97803	0.5
136.07561	1.8
138.05466	0.9
138.12820	0.9
142.96715	4.7
143.03609	2.3
148.04741	1.9
148.11171	0.8
148.23981	0.5
161.04729	0.5
166.05011	2.1
166.08609	6.9
166.12271	21.1
167.07053	0.9
167.10713	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
55.01871	0.5
55.05514	3.7
57.03433	0.5
67.05527	2.3
69.03432	1.2
69.07072	2.5
69.38287	0.4
71.05003	0.5
79.05492	2.3
81.03424	1.6
81.07063	5.5
82.99882	0.5
83.08624	2.9
91.05487	5.4
93.07026	2.5
95.04977	100.0
95.08603	3.8
96.05329	0.7
96.34927	0.4
97.06555	0.8
101.00874	3.0
101.02610	0.5
105.07047	4.0
107.08603	9.7
107.09303	0.6
109.06525	21.1
109.10153	1.1
115.87710	0.4
119.01933	5.1
119.04954	7.7
119.08600	3.5
120.08113	0.9
121.10137	2.7
123.08089	1.4
123.11707	1.5
124.02520	0.7
137.02939	1.2
137.05975	0.7
137.09602	1.5
137.13246	1.2
142.03500	5.2
142.96703	0.6
147.04420	16.5
147.11708	8.9
150.61255	0.4
160.04562	0.8
165.04379	1.0
165.09135	1.7
165.12767	66.9
166.08693	0.7
166.13104	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03943	0.6
55.01878	1.1
55.05500	2.4
57.03437	1.5
57.07080	1.5
65.03944	0.6
67.05505	6.7
69.03434	1.9
69.07069	2.3
71.04996	0.7
71.08630	0.6
71.53772	0.5
79.05501	4.7
81.03416	1.5
81.07062	10.7
82.53260	0.4
83.04993	1.8
83.08620	1.5
85.06596	0.5
91.05482	10.6
93.07047	7.5
95.04971	5.0
95.08011	0.4
95.08608	10.3
97.06532	1.1
101.00891	1.8
103.05455	0.5
105.07033	7.1
107.04961	1.5
107.08600	9.2
108.77422	0.4
109.06518	13.7
109.10162	8.6
117.06998	0.8
119.01923	3.7
119.04942	7.4
119.08582	13.9
120.08104	1.0
121.06510	1.1
121.10149	17.2
122.07295	7.3
123.04430	0.9
123.08076	8.9
123.11713	3.5
133.02864	0.6
135.08067	1.5
137.02972	0.5
137.05998	1.3
137.09621	100.0
137.13251	1.7
138.09950	1.2
142.03503	4.1
147.04422	21.5
147.08087	1.5
147.11684	6.1
150.10364	2.8
160.04539	0.9
165.05472	1.4
165.09122	2.1
165.12758	38.8
166.13268	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
53.03938	2.5
55.01867	2.7
55.05520	7.7
57.03442	8.8
57.07087	1.1
64.15672	0.8
65.03938	2.9
65.32053	1.1
67.05511	36.4
69.03432	6.3
69.06788	0.8
69.07072	9.8
69.71178	5.4
69.71532	1.7
71.04987	3.6
73.07240	0.9
77.03913	1.0
77.95569	0.8
79.05500	36.4
81.03427	1.4
81.07063	100.0
82.99834	1.4
83.04990	8.9
83.08602	2.1
85.06545	4.1
91.05490	40.9
93.06480	2.1
93.07050	38.5
95.04979	13.8
95.08613	25.0
97.06529	12.1
99.08126	1.0
101.00896	9.7
103.05458	1.4
105.04557	1.5
105.07039	58.1
107.08605	21.1
109.06525	14.9
109.10152	4.8
111.08094	1.0
111.27341	1.0
117.07007	1.4
119.01934	25.4
119.04959	19.6
119.08591	47.4
120.08084	2.8
120.08860	1.1
121.06554	1.0
121.10150	51.2
123.04420	2.8
123.08094	9.4
123.11709	7.0
124.02474	2.6
137.02983	3.0
137.05962	1.4
137.09599	2.5
137.13240	2.3
142.03514	25.2
142.96689	1.8
145.10150	1.2
147.04420	47.6
147.11700	91.9
148.11975	1.1
160.04587	5.2
165.05313	3.7
165.09108	2.7
165.12766	100.0
166.08595	1.0
183.57555	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
53.03935	1.9
53.31678	1.3
55.01870	2.9
55.05521	6.9
57.03444	5.5
58.43487	1.2
61.93734	1.0
65.03932	2.7
66.04690	1.0
67.05510	33.8
68.24306	1.1
69.03436	4.5
69.07065	8.0
71.05005	2.0
71.53045	1.3
75.93597	1.2
77.03928	1.4
77.37166	1.1
79.05501	32.9
81.03441	3.1
81.07065	75.6
82.93355	1.0
83.04977	7.2
83.08611	1.6
85.06530	4.9
91.05490	43.5
93.07053	36.4
95.04953	8.0
95.08617	20.9
97.06516	8.8
101.00896	4.1
103.78887	1.4
105.07039	60.9
107.07892	1.2
107.08609	21.2
109.06532	10.4
109.10133	4.9
119.01951	5.8
119.04955	17.4
119.08590	53.0
120.08113	1.8
121.10153	64.7
123.04433	1.6
123.08056	7.4
123.11725	10.6
137.05974	2.2
137.09648	6.4
137.13277	3.4
142.03508	4.2
145.10107	1.5
147.04434	36.8
147.11702	100.0
159.73465	1.1
165.01881	1.9
165.05492	4.9
165.06946	1.4
165.09077	2.1
165.12764	90.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03932	2.5
55.01864	4.1
55.05518	9.1
57.03436	8.7
62.08183	1.4
64.86710	1.4
65.03949	1.5
67.05180	2.2
67.05511	32.7
69.03417	5.9
69.07068	8.3
70.83753	2.6
70.84094	2.3
71.04989	3.5
75.50663	1.4
79.05495	32.9
81.03429	3.1
81.07061	100.0
82.17192	1.4
83.04980	9.4
83.08613	2.8
85.06549	4.1
91.05486	42.2
93.06480	2.0
93.07044	30.9
95.04974	17.3
95.08613	23.7
97.06525	12.3
98.20896	1.5
99.08044	1.4
99.16277	1.5
100.02435	1.6
101.00881	20.0
101.02563	2.5
105.07038	49.7
107.08601	20.7
109.06538	13.9
109.10143	5.0
111.08115	1.4
115.34409	1.5
119.01929	40.1
119.04936	16.5
119.08585	42.6
120.08042	1.9
121.10148	43.5
123.04405	2.1
123.08099	7.7
123.11702	8.0
124.02454	5.7
137.03006	8.1
137.05971	2.0
137.09598	3.3
137.13281	2.9
142.02432	2.5
142.03514	38.4
142.96680	4.0
147.03264	2.3
147.04422	37.6
147.11694	84.1
148.12030	1.6
152.29675	1.5
160.04544	7.6
165.01912	1.7
165.05313	6.0
165.09097	3.9
165.12758	95.0
166.08618	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03939	2.6
55.01878	2.9
55.05267	2.4
55.05516	29.5
57.03441	7.5
59.04995	3.1
65.03931	3.3
67.05514	24.7
69.03423	9.4
69.07085	10.9
70.65108	4.6
71.05006	9.6
79.05499	22.1
81.03403	3.4
81.07061	68.7
82.99847	2.8
83.04987	31.7
83.08601	2.5
91.05486	32.4
93.06469	2.3
93.07050	17.0
95.04372	2.6
95.04977	44.8
95.08618	57.2
97.06533	2.5
100.02484	2.4
101.00892	27.9
101.02615	2.8
105.07040	22.0
107.04988	2.2
107.08597	11.3
109.06526	24.8
109.10146	6.5
110.07259	1.7
111.04443	1.7
117.07041	1.6
118.03533	1.9
119.01932	91.9
119.04951	37.8
119.08591	18.0
120.01999	1.6
120.08122	4.9
121.06478	3.1
121.10142	7.2
123.04440	3.5
123.08078	24.9
123.11715	5.2
124.02445	8.0
137.03006	22.0
137.05986	4.5
137.09596	4.1
137.10593	1.5
137.13248	5.4
142.03506	86.5
142.96735	6.4
147.04420	100.0
147.08101	2.2
147.11699	14.2
160.04573	23.0
165.01823	2.7
165.05284	15.3
165.07695	1.3
165.09146	4.9
165.12773	63.0
166.08585	5.0
183.06181	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	165.1276
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03939	3.4
55.05506	3.2
57.03429	3.0
65.03936	2.7
67.05173	1.5
67.05507	15.2
69.03420	3.0
69.07076	1.3
71.17429	1.1
71.17767	1.8
79.05499	33.1
81.03439	1.6
81.07064	100.0
82.99886	1.2
83.04985	1.8
85.02900	1.4
91.05489	20.9
93.07053	9.6
95.04971	14.1
95.08610	19.6
97.06533	1.7
100.02498	1.4
101.00894	15.1
101.02557	1.7
105.07028	16.0
107.08602	52.8
109.06524	39.8
109.10161	3.5
119.01936	34.0
119.02557	0.8
119.03634	1.9
119.04948	28.0
119.08582	13.2
120.08115	4.0
121.06533	1.4
121.10138	5.2
123.04456	2.9
123.08074	74.7
123.11668	6.5
124.02465	3.5
127.07562	37.0
137.03023	8.5
137.09615	3.5
142.03516	39.9
142.04620	2.4
142.96759	2.7
143.03676	1.3
145.10033	1.2
147.04428	67.8
147.11694	45.8
156.21368	1.3
160.04556	8.2
165.01839	2.2
165.05415	6.1
165.09117	7.0
165.12764	95.3
166.08626	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	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03942	0.6
55.01865	0.6
55.05512	0.7
57.03418	0.4
62.02206	0.2
65.03938	1.3
67.05515	2.4
69.03430	1.2
69.07046	0.3
70.94821	0.3
71.05000	0.3
71.53210	0.6
79.05508	2.6
81.03414	0.9
81.07061	3.5
82.99832	0.4
83.04967	0.7
89.61102	0.3
91.05486	20.5
93.07051	1.3
94.04229	0.3
95.04986	2.5
95.08066	0.3
95.08619	3.5
101.00887	4.1
103.05483	0.9
105.04534	0.3
105.07039	7.1
107.04987	0.5
107.08591	2.3
109.06526	1.6
109.10159	3.0
119.01933	9.2
119.04947	39.0
119.08597	3.3
120.08131	0.7
120.17876	0.3
121.06519	0.5
121.10165	1.4
122.03682	0.5
123.04443	2.6
123.08070	1.3
123.11693	0.8
124.02443	0.8
133.02859	2.7
133.05588	0.4
133.06491	3.0
135.04253	0.3
137.03023	1.6
137.05171	0.3
137.05986	6.6
137.07047	0.3
137.09607	1.7
137.13303	0.4
142.03513	7.9
147.04416	100.0
147.11615	1.3
148.04733	0.9
160.04614	1.6
165.01822	0.4
165.04213	0.3
165.05508	3.9
165.09120	4.0
165.12755	3.2
165.16374	0.5
166.04959	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03932	0.3
62.20815	0.2
65.03947	0.9
65.90353	0.2
70.96136	0.6
81.07056	0.3
82.99844	0.4
83.39768	0.2
87.32169	0.2
91.05491	18.8
95.04976	0.8
101.00878	1.7
119.01967	2.1
119.04955	40.6
123.04462	1.2
124.02483	0.5
133.02794	0.2
135.71025	0.2
137.03011	0.3
137.06024	0.3
142.03520	2.9
147.04424	100.0
148.04726	1.0
149.28920	0.2
160.04591	0.4
160.88861	0.2
165.05493	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
57.97382	0.2
65.03922	1.2
69.74029	1.4
77.03907	0.2
79.56151	0.2
88.23800	0.2
91.05490	18.0
95.04988	1.0
101.00898	1.1
105.07050	0.7
119.01952	1.1
119.04958	44.0
120.05198	0.3
123.04444	1.7
123.08096	0.4
137.06012	0.5
142.03548	1.4
147.04425	100.0
148.04817	1.2
160.04601	0.3
165.05495	2.6
165.09125	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03959	0.3
65.03941	0.9
67.05512	0.6
68.84825	0.2
69.03455	0.4
69.61069	0.2
70.02287	0.5
70.02683	0.5
79.05506	0.5
81.07056	0.5
84.56006	0.2
86.71681	0.2
90.15242	0.2
91.05485	19.7
93.07039	0.3
95.04973	1.8
95.08611	0.6
101.00881	1.1
103.05486	0.5
105.07039	2.0
107.04949	0.6
107.08619	0.4
109.06496	0.5
109.10146	0.3
119.01986	1.7
119.04950	45.1
119.08579	1.7
120.05231	0.3
120.08105	0.5
121.06467	0.4
122.15775	0.2
123.04443	1.6
123.08067	0.4
123.11663	0.3
133.02879	0.3
133.05574	0.3
133.06502	0.5
137.06000	0.9
137.09607	0.5
142.03485	2.1
147.04416	100.0
148.04752	0.9
160.04491	0.3
165.05505	2.4
165.09137	1.4
165.12807	0.5
175.26633	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
65.65762	0.6
65.98691	0.6
69.43520	2.7
69.43926	1.9
70.52797	0.6
77.61499	0.6
82.01450	1.6
82.27580	0.6
82.99848	12.9
87.19650	0.6
94.23778	0.5
100.02489	1.3
101.00893	78.3
102.00977	1.2
103.58204	0.6
106.96509	0.5
111.00401	1.2
119.01933	97.8
120.02065	0.8
124.02470	18.6
134.11349	0.6
137.02969	12.7
142.03513	100.0
143.03662	1.4
160.04584	16.1
165.05087	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72440	0.3
65.03948	0.9
67.05520	0.5
70.29122	0.3
70.29465	0.7
77.09177	0.3
79.05499	0.6
81.03403	0.2
81.07063	0.5
89.67532	0.2
90.66425	0.2
91.05486	19.9
93.07072	0.3
95.04975	1.0
101.00873	1.6
103.05489	0.6
104.03614	0.2
105.07036	2.6
107.08574	0.3
109.06577	0.3
119.01959	1.8
119.04947	41.2
119.08591	1.6
120.08116	0.6
121.06511	0.3
121.10168	0.4
123.04472	1.6
123.08055	0.4
124.07478	0.3
133.06503	0.9
137.05930	1.5
137.09605	0.4
142.03510	2.0
147.04414	100.0
148.04758	1.1
160.04544	0.3
165.05473	1.7
165.09171	1.3
165.12700	0.3
180.96899	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42450	0.6
57.19190	0.6
58.96605	0.7
62.49126	0.6
65.29197	0.7
70.51070	1.7
82.01466	1.3
82.99850	11.0
95.67038	0.6
100.02484	1.8
100.37215	0.6
101.00889	70.6
102.00970	0.8
111.00443	0.8
114.18431	0.6
119.01929	93.9
120.02019	1.3
120.08168	1.1
124.02464	20.0
137.02971	10.2
137.80260	0.7
142.03510	100.0
143.03656	1.4
147.04420	2.7
160.04567	14.2
161.48145	0.8
165.05145	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
55.01886	2.0
55.05521	34.8
57.03424	3.0
57.07082	66.3
67.05502	3.9
69.03436	5.5
69.07064	5.1
70.91238	4.1
72.08150	2.5
75.74426	1.7
77.03956	1.7
79.05514	14.7
81.03426	3.7
81.07059	19.6
83.08622	6.7
84.51785	1.5
85.02919	15.3
85.29185	1.5
89.05486	2.6
89.06039	54.7
91.05480	16.3
93.07053	22.0
95.04979	5.3
95.08625	8.1
97.02894	2.2
98.28562	1.7
101.00905	2.4
101.09676	15.5
103.05481	44.2
105.04502	2.0
105.07052	6.8
107.04974	24.8
107.07094	13.2
107.07696	1.8
107.07938	2.7
107.08608	27.4
108.15208	1.9
109.06536	4.2
117.07023	8.0
119.04946	11.8
119.08601	10.6
121.06487	3.1
121.10159	23.8
127.07514	2.2
130.06540	1.6
130.07811	1.8
131.04939	56.4
132.08121	5.1
132.12823	1.7
133.02856	6.0
135.04419	9.3
135.08060	4.9
135.11700	6.4
136.07558	3.8
143.01918	4.5
145.06505	1.6
145.10138	21.7
161.02998	3.2
163.03932	100.0
163.07541	19.8
163.11177	49.8
163.12300	3.9
163.14825	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	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02366	2.0
53.03944	8.8
55.01877	15.5
55.05515	8.3
57.03435	6.0
57.07066	4.3
65.03956	1.2
67.05513	18.8
69.03427	7.3
69.07068	8.7
69.45148	3.2
69.45545	8.3
70.81642	1.3
71.04991	1.9
72.08139	1.7
73.80086	1.2
74.89593	1.3
77.03921	2.1
78.24767	1.3
79.05499	46.2
81.03429	5.7
81.07064	25.1
83.04970	5.1
85.02899	3.7
89.03931	1.8
89.06046	2.3
90.08125	1.3
91.05485	32.9
92.02592	1.6
93.07053	66.2
95.04987	14.7
95.08621	20.8
97.06509	1.7
98.97614	3.1
100.02473	1.6
103.05474	77.3
105.07047	28.5
106.06612	2.5
107.04973	29.5
107.08602	53.9
109.06531	4.6
111.10471	1.2
115.05433	3.4
116.06227	1.3
116.98647	1.2
117.05789	1.7
117.07019	37.7
119.01842	1.5
119.04931	3.7
119.08594	19.2
121.06520	17.4
121.10152	17.2
122.06032	1.3
128.02344	1.6
129.07059	2.4
130.06601	5.8
130.07753	7.5
131.04939	92.7
132.08096	7.6
132.12802	3.8
133.02870	6.5
133.10133	3.6
134.07265	1.7
135.04414	10.6
135.08067	10.9
135.11713	33.3
143.08571	2.4
145.02798	1.8
145.03931	1.4
145.06497	5.7
145.10136	59.4
145.99440	1.2
163.03922	55.7
163.07559	29.2
163.11188	100.0
163.12314	5.2
163.14806	9.9
164.11525	1.9
166.15883	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03941	1.3
55.05505	2.9
57.08122	0.6
60.08163	1.0
67.05507	19.0
69.03424	2.5
69.07059	4.4
69.96011	3.1
71.39754	0.5
72.08182	0.8
79.05495	23.9
81.07061	20.5
83.08617	1.4
88.02211	0.6
91.05488	64.3
92.05818	0.6
93.07050	16.9
95.04949	1.5
95.08615	10.6
97.02921	0.6
98.20837	1.0
100.07557	0.7
103.03940	1.7
103.05478	1.6
105.03374	1.6
105.07036	55.8
106.07353	0.9
107.08604	4.4
113.02361	0.8
115.05434	3.1
115.89739	0.6
116.05801	0.8
117.07027	25.3
118.07834	0.7
119.08585	48.1
120.06586	0.8
120.09405	0.8
121.06522	2.0
121.10144	0.7
128.06216	3.8
131.08568	3.6
132.08095	0.7
132.09283	0.9
133.06543	4.4
133.10138	37.5
134.10469	0.7
143.08546	6.6
146.07265	5.6
155.06017	0.7
159.11726	2.8
161.06009	3.5
161.09633	57.6
161.13261	100.0
162.10089	0.8
162.11273	2.4
162.13557	0.9
162.88922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03931	1.7
54.54402	1.1
55.05517	8.1
60.08167	2.0
65.03941	1.3
67.05513	6.0
69.07079	10.0
71.54414	1.0
72.08148	1.8
74.06057	1.7
79.05496	7.4
81.07065	13.5
85.02898	1.6
88.02198	2.6
91.05489	41.7
93.07059	12.7
95.08619	1.6
97.06522	1.6
102.05539	1.7
102.09212	1.7
103.03946	4.0
103.05488	2.1
105.03422	2.9
105.07040	87.1
107.08600	4.5
113.02287	1.3
115.05439	2.6
115.09515	1.3
117.07037	12.4
119.08590	100.0
120.06554	1.6
131.08560	6.2
132.09360	4.3
133.06512	4.8
133.10144	50.8
143.08568	1.6
159.11661	2.7
161.05977	5.6
161.07170	2.1
161.09624	11.7
161.13268	97.4
162.11288	8.9
162.13591	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03939	1.3
55.01877	6.0
55.05507	3.9
56.70850	1.1
59.76169	1.2
60.87055	1.2
62.70850	1.1
65.03925	1.4
67.05524	8.9
69.03417	3.0
69.07061	2.9
69.24879	9.9
73.58297	1.2
77.03929	2.1
79.05495	25.2
79.07116	1.1
81.07062	47.7
91.05484	12.9
93.07048	49.4
95.04982	7.5
95.08601	2.4
103.05477	20.2
105.07034	21.2
107.04980	3.6
107.08593	26.8
109.06522	17.9
109.07181	2.0
115.05367	1.4
117.07008	10.5
119.07801	1.7
119.08589	23.0
121.06567	6.4
121.10146	57.5
127.07554	11.9
130.07796	10.9
131.04927	22.3
133.06516	2.2
135.08072	9.9
135.11697	6.7
143.08530	2.8
145.10130	73.7
147.08127	2.1
148.08771	1.4
151.45596	1.1
163.03973	6.4
163.07533	6.5
163.11194	100.0
163.14822	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	161.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
53.93459	0.5
55.01872	0.8
55.05511	0.9
60.08147	0.9
65.03920	0.6
67.05503	1.9
69.03436	5.0
69.07069	1.0
69.30822	3.1
69.31249	1.6
72.59299	0.5
73.02934	0.5
78.93128	0.6
79.05503	4.2
81.07049	3.1
88.02237	0.9
89.06358	0.5
91.05489	13.1
93.07047	4.5
94.15278	0.5
95.08614	1.3
98.21612	0.6
102.05527	0.6
103.03926	1.4
103.05460	1.3
105.03404	1.7
105.07041	37.0
107.04966	1.7
107.08575	0.8
107.71485	0.5
111.49927	0.6
115.05476	1.6
115.09481	0.5
117.07021	2.3
117.75561	0.5
118.04131	0.6
119.08591	15.9
120.06662	0.6
121.06518	10.7
127.76796	0.5
128.06241	5.3
131.04942	1.4
131.08597	1.9
132.05746	0.9
133.06477	4.3
133.10141	25.8
134.10458	0.6
140.12367	0.5
141.07037	0.5
143.08560	6.7
145.06496	2.4
146.03732	0.6
146.07269	18.2
147.07408	0.5
159.08075	0.9
161.06053	3.7
161.09631	100.0
161.13257	16.2
162.05457	0.6
162.09967	1.6
162.11279	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	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03947	1.7
54.38248	0.6
55.01867	0.8
55.05502	2.6
67.05180	1.1
67.05511	14.3
69.03420	1.2
69.07065	4.7
70.11798	2.2
70.12207	1.6
74.06055	1.2
78.93111	1.3
79.05495	23.6
80.05785	0.8
81.07062	20.8
82.05769	0.7
85.02914	1.1
88.02206	0.7
91.05487	55.0
92.05798	1.0
93.07045	14.1
95.04943	2.0
95.08060	0.8
95.08620	9.0
96.80833	0.7
97.02866	0.9
98.29661	0.7
103.05473	1.7
105.03397	2.4
105.07038	58.5
107.05292	0.8
107.08582	3.1
113.02341	1.5
115.05434	3.0
117.07023	24.6
118.04156	1.5
119.08591	48.9
119.95742	1.3
128.06221	3.9
131.08568	3.0
132.09335	1.2
133.06531	4.1
133.10136	34.2
143.08578	5.9
146.03603	1.8
159.11716	2.2
161.05978	11.7
161.07312	1.1
161.09637	34.3
161.13261	100.0
162.11298	1.6
162.13695	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51675	0.2
56.57751	0.2
56.96564	0.6
69.89993	1.2
75.37550	0.2
82.99842	4.8
83.99926	0.3
85.01395	0.3
88.31024	0.2
93.07080	0.2
97.96021	0.5
98.97588	3.7
100.02639	0.2
100.97180	0.6
101.00883	46.7
101.95039	1.3
101.97198	0.7
102.00928	2.3
102.96866	1.1
103.00591	0.3
103.02420	0.5
106.96564	1.2
107.05234	1.7
111.00450	0.3
111.04469	1.1
115.97039	2.3
116.05762	2.5
116.55868	0.3
116.98625	1.3
118.47298	0.4
119.01920	100.0
119.98190	0.3
120.01999	3.7
120.97868	0.4
121.01630	0.3
121.02370	0.4
124.02444	0.4
124.48085	0.2
124.97598	2.1
125.02602	0.4
125.97419	0.4
127.47852	2.5
128.47720	0.7
128.49452	0.5
129.04767	0.3
133.03419	0.2
133.98097	1.4
134.97977	0.8
134.99687	0.3
136.47379	0.5
136.48360	6.1
137.02957	18.5
137.48236	1.6
137.50061	0.3
138.03127	0.5
140.00246	0.8
141.46048	0.2
142.03511	2.1
143.01865	0.8
143.03648	3.0
144.03197	0.3
145.48886	5.9
146.48726	1.9
147.05017	0.5
147.99146	0.4
153.10918	0.2
154.49367	0.5
156.99677	0.4
160.04633	0.4
161.01636	0.3
161.02959	6.7
161.04620	0.7
179.04002	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	160.0969
Annotation	2alpha,3beta,4alpha-Trihydroxynortropane
Peak:m/z	Relative Intensity
53.59005	0.2
58.06595	2.7
70.06588	0.6
70.21586	0.9
71.04989	0.2
72.04500	0.5
73.02924	1.0
81.11227	0.2
81.90912	0.2
83.07355	0.3
88.07637	11.4
98.09702	2.5
100.07586	0.3
103.81824	0.2
114.09161	1.0
116.04745	2.1
116.10749	0.4
118.05002	0.4
127.06302	0.2
142.08643	1.6
160.09700	100.0
161.10028	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
51.73743	0.5
53.03954	0.6
54.44197	0.4
56.96571	0.8
65.06329	0.4
67.05512	2.2
76.73483	0.3
76.93391	1.7
79.05510	1.7
81.07072	1.3
91.05492	11.8
93.07056	0.8
99.04488	0.4
103.05495	0.7
105.07043	15.0
113.02399	1.8
113.07943	0.4
115.05456	4.0
116.06258	1.7
117.07027	29.6
117.95985	2.1
119.08595	7.3
126.55355	0.5
128.06226	1.1
129.07014	12.9
130.07800	14.7
131.08582	73.0
132.08922	0.8
135.97076	0.5
141.01843	6.9
142.07787	1.6
143.08548	1.1
144.09354	16.7
157.10146	3.4
159.11703	100.0
160.12018	2.3
170.33678	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1171
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.01863	1.8
55.05509	2.2
57.03426	3.4
67.05514	8.4
69.07047	1.2
70.06581	3.6
71.04234	1.6
71.04979	3.8
71.06935	1.4
72.04507	1.3
76.93375	12.7
78.52969	2.7
79.05497	7.9
81.03435	1.2
81.06662	1.1
81.07079	8.0
82.01491	1.2
84.04488	1.2
85.02919	1.4
86.02940	1.9
91.05488	23.2
91.53735	1.6
93.07024	3.1
94.94406	3.2
95.04991	1.8
95.08633	2.0
97.53712	3.3
98.97585	2.4
99.04406	1.9
100.02485	3.2
102.09181	1.5
103.09518	2.9
105.07040	14.9
109.10126	1.2
113.02386	15.7
113.06016	1.7
113.07187	1.6
113.07944	1.7
114.05533	2.9
114.09162	2.3
115.02479	1.2
115.05475	3.2
116.06268	1.3
116.07052	1.2
116.98649	1.0
117.07028	43.9
117.95250	1.4
117.95998	16.4
118.03528	1.6
118.06462	1.9
119.08632	2.3
127.06685	1.2
129.07028	4.9
130.07800	3.4
131.04938	1.4
131.08575	62.8
135.97064	6.0
138.57620	1.0
141.01837	58.8
142.08681	1.3
144.09335	4.8
157.10121	3.2
158.98566	1.3
159.02824	1.6
159.06944	1.5
159.08054	4.2
159.09160	7.3
159.10258	4.1
159.11703	100.0
159.15753	10.3
160.09695	2.4
160.12019	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	159.0442
Annotation	1,2-Naphthoquinone
Peak:m/z	Relative Intensity
53.03952	3.4
55.01877	0.4
55.05507	0.8
57.03444	0.5
60.27563	0.4
62.82472	0.4
67.05509	0.7
69.03385	0.5
70.06593	0.8
70.81600	0.8
71.04992	1.0
72.08159	2.3
74.28845	0.4
74.99123	0.3
76.92996	0.3
76.93367	1.7
77.03954	0.9
81.03420	1.2
81.07067	0.8
83.08642	0.4
85.02921	0.8
87.00839	1.3
91.05482	1.2
94.94434	0.7
95.01624	0.5
95.04964	2.4
95.08611	1.0
98.97598	3.2
99.04464	0.9
99.08099	0.7
102.04675	0.8
103.05475	100.0
104.05817	1.1
105.03428	2.3
105.04505	1.0
109.02927	0.5
113.02378	2.7
113.06065	0.5
115.05476	0.4
116.98618	1.0
117.01857	0.8
117.07021	0.7
117.96014	2.8
123.08016	0.5
129.06995	0.6
130.06516	0.5
131.04938	94.3
131.08578	2.3
132.05280	1.3
132.08081	0.7
135.97020	0.6
141.01839	9.9
144.05762	0.6
150.77310	0.4
152.04041	0.4
159.04425	45.0
159.08018	1.6
159.09102	0.8
159.10193	0.7
159.11674	2.4
160.04756	0.6
160.09714	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0814
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
50.94608	0.5
55.01871	4.0
55.05518	0.7
56.96576	6.0
57.03451	1.3
58.06600	0.6
63.87702	0.5
68.05018	1.4
69.03438	2.5
69.07064	0.7
70.06600	17.1
70.83335	1.5
71.01432	0.5
71.05003	1.0
71.95288	1.1
72.04509	1.5
72.08160	1.8
73.77074	0.5
75.04488	0.6
80.61152	0.5
81.03419	2.8
81.05819	1.1
84.04514	4.9
84.08150	0.9
86.06070	1.7
87.04482	6.0
94.06573	17.2
95.07349	4.3
96.04498	18.8
96.08144	7.8
97.96812	1.2
98.01296	0.7
98.06065	18.7
98.09710	1.0
98.97596	51.6
102.05585	0.9
109.02908	0.8
110.01302	1.1
110.97559	0.6
112.07616	11.4
112.55766	3.1
114.05541	19.3
116.07135	2.7
116.97313	0.8
116.98636	19.2
117.02058	1.0
122.06048	4.6
124.60493	0.5
126.00798	0.7
126.02537	0.5
126.55541	0.6
128.98688	0.6
134.99701	4.5
135.06804	0.6
138.05525	1.7
140.07079	100.0
140.10703	3.1
141.07481	1.0
149.30963	0.5
158.08145	39.0
158.11714	3.4
159.20128	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	14.5
56.05045	10.3
56.96577	10.4
57.03437	20.7
58.06579	1.8
60.04529	75.4
60.69184	1.3
61.79882	1.9
69.07080	17.6
70.06593	43.4
70.07391	1.7
70.80445	2.3
70.80759	1.6
71.05001	2.5
71.95251	1.9
72.04514	2.3
72.08135	3.7
74.06085	17.1
75.94586	1.5
76.93379	2.1
78.33781	1.4
79.05507	11.0
81.03436	1.6
81.07061	100.0
84.04491	2.5
84.08136	4.5
86.06017	1.8
86.09708	26.4
87.04449	1.4
88.86433	1.4
95.08607	2.2
96.04467	2.0
97.06516	1.5
98.06065	32.2
98.09699	91.0
98.97592	74.9
99.08099	66.8
99.10007	1.5
100.07608	1.6
103.05461	1.4
112.07618	18.8
113.02388	1.9
114.05579	1.6
116.07096	10.6
116.10744	22.1
116.97353	8.0
116.98631	41.1
117.02043	2.1
117.03374	2.6
117.95992	3.2
126.05472	1.8
128.10727	27.5
130.06546	28.8
131.06837	4.3
134.99655	13.1
140.07097	9.1
140.10692	6.5
140.11772	3.7
141.01823	4.8
150.62840	1.3
152.96982	2.6
158.06039	33.1
158.08127	13.0
158.09683	19.9
158.11769	87.2
158.12859	4.2
158.15425	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	157.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05393	0.1
51.30420	0.1
56.05039	6.1
58.06601	0.1
70.06599	3.9
71.53112	0.1
82.06590	0.2
88.03489	0.1
88.03999	2.5
88.07636	0.5
97.07664	1.4
98.06044	0.5
98.08441	0.1
111.09213	1.4
112.09997	5.5
116.07103	5.2
133.01619	0.1
144.08774	0.1
157.09737	100.0
158.10193	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04792	0.5
56.05037	7.0
58.06589	0.4
67.79887	0.3
70.06597	5.4
71.09673	0.6
79.81298	0.3
82.06585	0.9
88.04008	1.7
88.07626	0.6
96.37294	0.3
97.07645	1.4
98.06039	0.5
104.39076	0.3
111.09212	3.2
112.09307	0.5
112.10001	5.8
113.57259	0.3
116.07094	6.2
157.09734	100.0
158.09221	0.9
158.10295	0.5
158.11743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53767	0.3
55.01881	0.5
55.05512	1.7
56.05033	2.3
56.96569	7.5
57.03440	0.5
58.06604	54.8
59.05002	0.5
67.05511	0.4
68.00243	0.3
69.03429	0.7
69.07077	0.5
70.06597	2.8
70.55175	0.4
70.55503	0.7
70.95859	0.5
71.95286	0.6
73.02888	0.3
74.03706	0.3
74.93168	0.4
74.93830	0.7
81.03431	1.0
83.00830	0.4
83.04983	0.7
83.32888	0.3
84.08138	0.7
84.96025	0.4
85.02916	0.4
86.51863	0.3
87.09238	20.0
88.03995	0.5
90.01592	0.4
93.50821	0.3
97.02927	0.4
97.06540	0.4
97.07665	0.8
97.96791	0.5
97.99195	0.9
98.06062	6.5
98.97591	22.3
101.00805	0.4
102.53194	0.4
109.02897	0.4
110.01342	0.4
110.97573	0.5
111.00251	0.3
111.04449	1.5
111.09240	0.7
112.07653	1.5
112.10011	2.1
115.08699	100.0
115.96381	0.7
116.00198	0.4
116.07103	1.7
116.09013	0.6
116.97337	0.3
116.98631	8.9
117.02105	0.5
123.54337	0.3
132.95869	0.5
133.96036	0.9
134.99654	1.9
139.03918	0.5
139.08646	3.6
140.07095	0.9
151.97119	0.4
157.09732	39.0
168.03333	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.05516	13.8
55.93530	1.3
56.05041	1.9
56.05850	0.7
57.03455	0.7
57.07097	0.8
59.05027	0.7
60.04535	2.1
60.64400	0.6
61.01469	0.7
66.44707	0.7
67.05535	3.6
68.05043	1.7
68.05843	1.6
69.03436	1.8
69.07076	2.2
69.70457	2.3
69.70876	1.9
70.06599	5.3
70.95872	32.4
71.05001	8.7
72.04516	1.0
72.05351	0.8
72.93797	27.7
73.19328	0.7
73.93853	2.7
74.93837	2.4
75.05817	0.9
79.05501	10.8
79.14320	0.7
80.05032	1.7
81.07088	1.3
82.02961	1.6
82.06590	2.7
83.04980	0.9
84.04517	1.9
84.08165	0.9
85.06552	58.8
86.06079	11.2
86.09727	3.0
87.04489	1.9
87.88755	0.6
88.04057	0.7
88.96906	4.9
90.94845	4.5
93.07074	1.4
94.06595	1.7
95.04996	1.5
95.08622	1.4
96.04484	1.2
96.05304	1.7
96.08134	7.9
96.08979	1.5
97.02878	0.8
97.06548	3.0
106.06563	25.3
106.07254	1.5
107.04914	0.9
110.02380	1.7
110.06087	4.4
110.07202	4.5
110.09709	0.9
110.10478	1.1
111.08083	3.8
111.98485	17.9
113.96419	4.6
114.05529	1.1
114.09196	1.1
114.94817	1.3
114.96654	1.5
115.08693	0.9
115.96452	2.4
118.64621	0.7
124.07606	100.0
125.07907	1.3
126.09153	2.4
128.07100	0.9
128.10791	1.3
129.99522	5.4
130.06471	0.9
131.97461	1.3
132.95850	54.5
138.02570	0.7
138.05481	2.4
138.09085	4.0
139.07544	3.1
150.96909	51.4
155.97461	6.7
156.06601	3.6
156.10210	37.7
156.13776	0.9
157.07619	9.7
157.09747	2.4
168.98019	0.7
173.98534	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	155.1067
Annotation	4-Hydroxy-3,5,5-trimethylcyclohex-2-enone
Peak:m/z	Relative Intensity
52.55751	0.8
53.03940	2.1
53.22890	1.0
55.01855	2.2
55.05512	28.6
55.93519	1.0
56.05024	1.7
56.96550	2.7
57.03426	2.9
57.07057	1.6
58.06622	0.9
59.05007	4.4
65.03928	3.3
67.05508	37.5
69.03444	2.1
69.07058	3.2
70.06577	0.8
70.43237	2.5
70.95858	6.3
71.01345	2.7
71.04994	59.9
72.93790	100.0
79.05487	5.1
81.03416	4.2
81.07052	18.2
83.04967	4.2
83.08617	14.7
83.49986	0.9
85.06560	5.3
86.06061	1.1
88.96877	1.3
90.94828	20.3
91.05463	3.8
91.05961	0.9
93.07042	10.0
95.01320	1.4
95.04971	87.8
95.08609	70.4
96.05288	1.1
97.06537	7.0
98.98468	1.0
99.04458	53.0
100.94373	1.0
101.06013	1.9
106.06522	1.9
107.08579	3.0
109.02900	6.2
109.06524	4.4
109.10160	42.3
111.03772	1.2
111.04429	3.2
111.08073	7.4
111.98484	3.0
112.03983	1.5
113.05990	8.0
113.09634	2.6
113.96405	79.6
119.08561	2.5
123.04443	5.0
124.07584	7.1
127.03915	7.3
127.07513	2.5
129.99460	1.5
131.96364	1.2
131.97438	29.6
132.95831	12.3
134.75854	1.0
137.05983	3.0
137.09619	15.2
140.04692	1.5
149.97221	3.1
150.96899	10.8
154.98991	1.9
155.03360	6.6
155.07004	9.6
155.08189	3.6
155.10683	8.8
155.97295	1.0
156.10181	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	156.102
Annotation	Arecoline
Peak:m/z	Relative Intensity
51.11799	0.7
53.03937	1.0
55.01871	0.9
55.05511	13.5
55.93518	1.6
56.05017	1.8
58.63177	0.7
59.05006	0.6
60.04514	1.6
62.66257	0.6
64.38991	0.7
67.05511	4.0
68.05015	1.6
68.05829	1.1
69.03416	1.9
69.07078	2.1
69.90213	0.7
70.06600	3.4
70.11093	3.3
70.95869	26.8
71.05001	8.4
72.04507	0.8
72.05335	1.0
72.93398	1.4
72.93793	20.7
73.02923	0.7
73.93813	1.0
74.93828	1.6
75.05795	0.9
77.92524	0.8
79.05489	11.4
80.05017	1.5
81.07053	0.9
81.70566	0.7
82.02929	1.9
82.06583	2.6
82.07433	0.7
83.05016	0.8
83.08623	0.8
84.04504	1.5
85.06548	60.2
86.06075	9.2
86.06893	0.8
86.09691	2.2
86.24450	0.6
88.96909	4.7
90.94814	4.8
93.07034	1.1
94.06583	1.4
95.04977	1.3
95.08572	1.1
96.04471	1.7
96.05285	1.0
96.08131	6.4
96.08951	2.0
97.02899	1.1
97.06531	3.0
98.21447	0.7
101.06034	0.7
106.05846	1.6
106.06560	28.3
110.02390	2.3
110.06082	3.8
110.07182	5.2
110.10468	1.0
111.08085	4.3
111.98477	13.5
112.07590	1.2
112.08360	0.9
113.96415	3.3
114.05476	1.2
114.96676	0.9
115.08690	1.0
115.96432	2.3
116.08170	0.7
124.07596	100.0
126.09187	1.1
128.07100	1.7
128.10744	0.9
129.99522	4.2
130.06567	0.7
131.97482	1.0
132.95842	46.9
138.05482	2.2
138.09125	3.3
138.42679	0.7
139.07524	2.7
150.96893	44.4
155.97440	4.6
156.03754	0.9
156.06564	2.7
156.10208	39.3
156.13779	1.1
157.07634	9.2
157.09734	2.3
173.98508	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	155.1067
Annotation	4-Hydroxy-3,5,5-trimethylcyclohex-2-enone
Peak:m/z	Relative Intensity
53.03942	2.0
55.01870	1.6
55.05513	17.1
56.05049	3.6
57.03421	1.9
57.07067	0.7
59.05000	2.1
65.03935	2.9
67.05507	37.6
68.05812	0.8
69.03433	1.3
69.07063	3.1
69.96188	0.8
70.95872	3.5
71.01351	1.8
71.04996	24.3
71.53226	1.1
72.08149	1.3
72.93790	53.3
79.05482	3.1
79.17477	0.7
79.84961	0.6
81.03415	2.3
81.07058	16.3
82.06586	0.8
83.04990	3.2
83.08623	5.7
83.45528	0.6
85.06568	4.3
86.06038	0.9
90.94826	10.6
91.05476	2.6
91.31237	0.7
93.07047	6.6
95.04972	100.0
95.08610	33.6
96.05348	1.1
96.16032	0.6
97.06531	5.4
99.04462	24.2
99.05114	1.3
99.08097	1.2
107.08605	3.3
108.95830	0.7
109.02873	5.5
109.06522	7.3
109.10163	39.4
110.06070	1.0
111.04459	2.0
111.08087	7.0
111.98536	2.1
112.01591	0.9
113.06002	4.1
113.09644	1.6
113.96407	42.7
118.46390	0.8
119.08587	2.6
121.50970	0.8
123.04464	6.1
123.86675	0.7
124.07652	1.3
126.09137	0.9
126.27639	0.7
127.03906	5.3
127.07578	1.4
131.96375	1.5
131.97444	18.1
132.95834	7.9
137.05991	12.3
137.09619	20.2
137.53641	0.7
138.09135	1.1
140.04703	1.9
149.97234	1.3
150.96861	7.7
154.26826	0.8
154.98999	1.3
155.03435	3.6
155.07100	7.3
155.08188	2.4
155.09149	1.4
155.10692	5.3
155.97464	0.9
156.10144	3.7
166.61989	0.7
173.98598	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.05515	100.0
56.05828	1.3
56.58765	1.3
57.06834	1.4
57.07084	17.4
62.85357	1.3
67.05490	1.7
69.07076	57.0
69.17268	2.0
69.17667	11.5
71.08627	10.1
81.07058	1.6
83.08627	56.6
92.22987	1.1
95.08620	3.1
96.08128	1.2
97.10178	62.7
98.21563	1.6
107.08659	1.3
108.05616	1.2
111.11734	5.7
114.04912	1.1
136.03964	1.3
145.99715	1.3
152.78954	1.4
153.06549	2.7
153.10249	1.8
153.11346	2.2
154.04999	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	154.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76138	0.2
55.05513	4.4
56.05028	0.9
57.07080	0.4
67.05499	1.1
68.05025	0.5
69.03436	0.5
69.68874	1.5
70.06593	0.7
71.05000	0.9
71.94109	0.4
72.08181	0.3
72.93791	3.0
74.06498	0.2
74.81098	0.2
79.05503	1.9
80.05072	0.3
81.07060	5.9
82.06578	0.8
82.07380	0.4
83.04986	0.4
83.07368	0.6
83.08630	1.0
84.04464	0.3
84.08144	0.5
85.06570	0.4
87.04478	0.4
90.94812	0.5
91.05490	0.7
93.05788	0.7
93.07067	0.5
94.14117	0.3
95.04982	1.0
95.08591	1.2
96.04470	0.3
96.05324	0.6
97.05280	1.7
97.06541	0.3
98.06057	2.3
98.09695	1.7
99.04427	0.9
107.08629	0.3
108.08117	2.1
108.08884	0.7
109.06513	4.2
109.10156	1.3
110.06030	2.5
111.06261	0.2
111.06856	2.8
113.96422	2.0
124.07618	0.4
125.08376	0.7
126.05579	0.4
126.09165	3.0
130.59915	0.3
130.96297	0.4
131.97424	0.8
136.07568	1.8
137.05949	0.3
139.06290	3.3
139.07530	0.7
148.97354	0.4
152.07063	0.3
154.08635	100.0
155.07018	0.4
155.09021	1.4
162.64682	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	(+)-cis-p-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
50.74383	0.7
51.74966	0.6
53.03954	1.2
55.01875	1.5
55.05506	4.0
57.03431	2.1
57.07088	1.1
59.05004	2.5
65.03947	1.5
67.05509	9.2
68.96347	0.7
69.03440	4.0
69.07076	10.4
69.18448	4.2
69.18863	2.2
70.94261	1.6
70.95861	2.2
71.05006	3.5
73.13441	0.7
75.01620	0.9
77.03898	0.9
79.05497	9.5
81.07056	7.7
83.05000	3.4
83.08611	3.7
89.84162	0.6
91.05492	4.2
93.03408	3.1
93.07055	28.5
95.04973	6.7
95.08614	16.2
97.06538	21.0
105.04562	1.2
105.07042	1.0
107.04966	100.0
107.08607	32.3
108.05307	1.5
109.06513	0.9
109.10168	33.9
111.04468	2.8
111.08092	3.2
111.96892	1.6
124.08930	0.7
125.06032	3.4
130.96323	1.2
135.04431	42.2
135.08105	1.3
135.11710	22.2
141.69379	0.7
146.07944	0.6
148.97383	1.1
153.01842	0.8
153.05470	4.8
153.09093	1.3
153.12761	33.6
174.69611	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03950	3.3
55.01865	1.3
55.05510	8.1
57.03434	3.4
57.07076	2.2
59.04986	1.5
65.03944	13.8
67.01878	1.1
67.05509	14.8
69.03442	5.6
69.07073	14.8
70.94264	4.1
70.95862	3.2
71.04990	4.4
71.53262	1.5
79.05497	19.3
81.03419	2.9
81.07063	19.3
83.04982	11.1
83.08616	3.7
84.04495	1.6
88.95307	1.2
91.05485	14.1
93.03406	16.4
93.07047	72.5
94.07371	1.1
95.04967	24.4
95.08611	57.6
96.08923	1.2
97.02941	1.9
97.06534	16.4
105.07038	3.8
107.04971	6.5
107.08598	100.0
108.08934	1.9
109.02862	1.0
109.06512	6.1
109.09471	1.8
109.10165	22.7
110.03652	2.1
111.04439	19.6
111.05598	1.3
111.08076	6.7
111.96873	5.6
117.06982	1.2
121.02853	14.0
121.06416	1.1
125.05994	15.1
125.09597	1.8
129.97885	1.3
135.04398	2.5
135.08057	8.8
135.11699	47.6
136.07611	1.6
138.03119	1.6
153.01859	12.5
153.05467	12.7
153.06583	1.4
153.09093	9.3
153.12752	27.2
153.13814	1.7
169.55141	0.9
170.89439	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03940	3.3
55.05516	11.8
57.07069	1.7
59.04996	6.6
65.03934	4.2
67.05502	8.5
69.03403	1.7
69.07069	11.1
69.57083	7.3
70.94282	1.6
71.04999	43.6
73.06561	23.5
75.71925	1.6
79.05497	25.5
81.07063	100.0
83.04982	1.9
83.08603	2.1
91.05492	7.5
93.03352	1.9
93.06476	3.2
93.07044	44.9
95.04971	46.5
95.08624	6.4
97.06539	5.7
105.07045	3.2
107.04939	3.0
107.08614	33.2
109.10154	8.8
110.15030	1.8
111.04459	2.1
111.08086	5.9
135.11694	32.8
136.07558	2.0
153.01830	4.9
153.05484	2.1
153.12743	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00302	2.1
53.03941	2.7
55.05516	15.5
57.07062	1.2
59.04998	8.1
64.23862	0.9
65.03938	1.5
67.05509	6.0
69.03418	1.1
69.07062	11.7
70.78219	1.7
70.94259	1.0
71.04996	42.9
73.06173	1.7
73.06561	22.2
79.05495	23.1
81.07059	100.0
83.04993	1.7
83.08628	2.2
85.06538	1.2
86.87595	1.1
91.05474	6.0
93.07047	42.2
95.04980	2.4
95.08622	6.9
97.06526	6.9
101.31432	0.9
105.07021	1.4
107.08601	39.1
109.10157	7.3
111.08092	2.9
111.96889	1.9
119.05949	1.1
125.06001	1.0
135.11693	33.6
153.05499	1.4
153.12746	17.2
166.55138	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	cis-2,8-Menthadien-1-ol
Peak:m/z	Relative Intensity
53.03942	1.2
55.01857	1.2
55.05512	9.1
56.05025	0.9
57.03431	4.0
57.07067	1.6
57.35251	0.8
59.04996	1.3
60.14060	1.0
62.04384	0.8
64.72923	0.8
65.03954	4.4
67.05508	22.7
69.03433	3.7
69.07073	37.2
69.32692	7.2
70.94273	5.3
70.95866	3.9
71.04982	3.5
71.94093	1.0
71.95243	0.9
79.05498	22.7
81.07064	27.0
83.04988	7.9
83.08632	4.0
84.04506	1.9
85.02905	1.1
85.06548	1.1
87.04446	0.9
89.00285	1.0
91.05489	3.7
93.03403	3.5
93.07053	35.4
95.04969	3.1
95.08616	16.4
97.06534	19.0
105.07051	1.5
107.08602	41.9
109.10161	27.7
110.03635	1.3
111.04469	5.1
111.05608	1.5
111.08083	7.2
111.96884	5.5
112.96770	1.1
125.05998	5.5
125.07114	3.1
125.09641	1.0
129.97910	2.4
135.04420	1.3
135.08066	1.7
135.11702	94.1
136.07530	1.1
136.12097	1.0
138.03075	0.8
153.05515	7.7
153.07582	4.0
153.09171	3.0
153.12758	100.0
154.05031	1.5
154.13092	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03951	3.2
55.01854	2.1
55.05512	10.3
55.05740	2.0
57.03440	3.0
57.07059	2.0
59.05009	8.8
65.03946	7.7
67.05507	19.2
69.03434	6.9
69.07067	21.7
69.59718	9.8
70.06577	1.2
70.94251	9.5
70.95858	4.9
71.04998	7.6
71.42154	1.3
73.06536	4.8
79.05492	19.6
81.07058	37.9
83.04987	16.0
83.08609	5.6
86.92321	1.6
88.95290	1.9
89.44723	1.4
91.05492	10.0
93.03394	8.9
93.07050	84.5
95.04980	8.9
95.08613	56.7
95.09084	1.1
97.06531	41.6
98.20844	2.6
105.07014	3.3
107.04948	4.8
107.08601	100.0
109.06507	4.7
109.10168	46.4
110.03639	2.2
111.04435	10.6
111.08108	5.6
111.96877	9.4
125.05997	9.7
125.07114	2.0
125.09613	4.8
126.42879	1.3
129.97882	3.1
135.04422	2.7
135.08052	4.6
135.11699	69.6
136.07594	2.7
137.55147	1.5
143.24158	1.3
143.74379	1.4
153.01860	5.0
153.05504	7.0
153.09119	4.1
153.12752	75.7
154.04984	1.3
155.94128	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.33962	1.8
53.00307	2.0
53.03941	3.0
54.17271	1.9
55.05515	21.5
57.01196	1.7
57.03429	1.9
59.04984	6.5
62.20053	1.7
62.54094	1.9
65.03947	3.5
67.05514	14.9
69.03435	2.7
69.07074	38.6
70.94247	3.5
71.04633	3.8
71.04996	42.8
73.06236	1.7
73.06565	22.6
79.05499	31.8
81.07064	100.0
81.97307	1.6
83.04993	4.0
83.08642	2.2
84.58285	1.5
91.05488	8.8
93.03380	3.2
93.06481	2.8
93.07050	46.4
95.04983	15.9
95.08605	9.2
97.06548	9.3
103.69364	1.5
105.07008	2.2
107.04916	2.1
107.08608	47.2
109.06501	2.1
109.10158	8.9
110.03660	1.8
111.04443	7.1
111.08085	6.9
111.96838	3.1
116.11563	1.6
119.08521	1.7
125.05970	5.0
135.11705	29.9
142.86685	1.7
150.66000	1.5
153.05458	2.7
153.09074	4.1
153.12726	18.7
168.91470	1.7
169.35410	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0548
Annotation	(R)-Mandelate
Peak:m/z	Relative Intensity
53.03948	1.0
55.01871	0.8
55.05520	1.5
56.96565	0.3
57.03444	0.6
59.04996	0.9
63.21601	0.2
65.03940	1.3
67.05508	2.3
67.05813	0.4
69.03424	1.5
69.07077	2.7
69.52006	0.6
69.52414	1.4
70.94267	0.6
70.95869	0.8
71.04991	1.2
77.03956	0.4
79.05495	3.0
81.03419	0.5
81.07063	2.2
82.06597	0.3
83.04993	1.0
83.08616	0.6
84.04492	0.7
91.05479	1.4
93.03409	1.6
93.07047	6.5
95.04980	6.4
95.08608	3.5
97.02886	0.3
97.06533	3.9
98.06068	0.6
98.97614	0.6
105.04564	0.6
105.07006	0.4
107.04961	100.0
107.08599	7.5
108.05294	0.8
109.06538	0.7
109.10161	6.8
110.03667	0.3
111.04433	1.8
111.08095	0.8
111.96883	0.7
111.98446	0.5
117.07074	0.4
125.06005	1.8
125.07050	0.5
130.96283	0.6
135.04425	38.7
135.08009	0.7
135.11688	4.3
136.04784	0.6
138.03130	0.4
148.97304	0.3
153.01942	0.4
153.04288	0.4
153.05470	3.4
153.06578	0.5
153.09114	0.7
153.12759	6.1
154.08649	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0708
Annotation	Paracetamol
Peak:m/z	Relative Intensity
52.99856	0.2
55.01869	0.8
55.05495	0.3
56.05024	0.2
56.96570	3.1
57.03459	0.4
61.02919	0.4
61.12906	0.2
65.03935	0.7
66.06249	0.2
67.05493	0.4
69.03426	0.3
70.06283	0.8
70.98118	0.2
70.99857	0.2
73.02926	0.6
75.01026	0.2
75.01911	0.4
75.51947	0.2
78.03405	0.2
79.05512	0.3
81.03409	0.2
81.07073	0.2
82.01439	0.2
83.00763	0.3
83.97627	0.3
84.02422	0.5
84.08116	0.3
84.96015	0.2
85.02912	0.4
89.00800	0.2
91.02428	0.2
92.05009	4.7
93.05798	1.4
94.06560	0.5
95.00773	0.2
96.04494	0.2
96.08135	0.2
97.02866	0.3
98.01318	0.3
98.03178	0.2
98.21402	0.3
98.97591	2.6
99.97935	0.2
100.02505	0.4
101.00888	0.6
101.01630	0.2
103.01418	0.2
103.02338	0.3
106.06542	0.2
107.04983	0.3
107.07341	0.2
108.08125	1.0
109.05144	0.4
110.01288	0.7
110.03543	2.6
110.06055	4.5
110.51487	0.4
110.97585	1.9
111.53748	0.2
114.04055	0.3
115.01407	0.2
116.98635	0.6
119.01856	0.9
119.51927	0.6
120.02631	0.2
120.04507	0.2
122.06055	1.4
122.52877	0.2
123.06856	0.4
124.01894	0.8
124.03951	0.3
124.07586	0.6
125.04729	0.8
128.02347	0.8
128.04593	0.7
128.52492	0.7
128.98645	1.7
129.03998	0.4
131.01848	0.2
131.03589	0.2
131.53351	0.6
133.03442	0.2
134.06013	0.7
135.03027	5.4
136.01407	0.2
137.03026	0.2
138.05507	0.4
140.03256	0.2
140.53876	0.5
143.07753	0.2
146.99652	0.6
147.05075	0.3
152.05711	25.6
152.07072	100.0
152.10501	2.3
153.02902	0.3
153.04091	4.8
153.07451	1.2
161.02974	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1483
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
51.06785	0.5
53.03955	0.6
55.05518	5.4
57.07079	1.1
59.04979	0.5
63.66418	0.5
65.03949	1.8
65.93343	0.4
67.05508	85.3
69.07067	4.5
70.03435	2.4
71.08644	0.7
79.05500	4.6
81.07063	44.7
83.08627	1.1
87.96729	0.5
89.06046	0.7
91.05473	3.1
93.07058	5.2
95.04971	1.3
95.08613	100.0
95.70555	0.5
96.08949	0.8
98.20859	0.6
98.97594	0.5
105.07042	3.3
107.08614	3.5
109.06516	1.1
109.10165	54.1
110.01301	0.7
110.10510	0.8
123.08065	0.9
123.11722	1.4
133.10133	1.9
135.11681	0.5
135.85098	0.5
151.07571	1.2
151.11212	4.2
151.14832	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	151.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01875	0.6
55.05510	6.2
56.96563	1.0
57.07071	0.9
61.02903	0.7
65.03947	1.3
67.05507	56.4
68.05846	0.5
68.69001	0.5
69.07064	4.6
71.08637	0.6
76.03317	0.4
79.05498	10.0
79.90865	0.4
81.07059	100.0
82.03761	0.7
82.07371	0.7
83.08607	1.0
89.06046	1.3
91.05478	2.4
93.07040	5.8
95.04995	1.0
95.08610	91.8
96.45620	0.5
98.97581	0.9
105.07026	2.6
107.08593	2.2
109.06506	1.5
109.10159	35.1
113.15045	0.5
119.01783	1.0
123.04449	0.5
123.08089	1.2
123.11723	0.7
133.10147	2.0
151.02837	0.5
151.03906	1.5
151.07542	1.7
151.08649	0.9
151.11179	4.3
151.14830	10.5
151.16035	0.6
152.07040	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03938	4.6
55.01866	5.5
55.05513	11.2
56.96545	3.9
57.03431	5.7
57.07078	1.3
60.01190	1.3
65.03938	3.9
67.05509	62.7
68.95278	1.4
69.03439	10.2
69.07072	6.4
70.88020	2.6
71.04979	2.3
73.02895	2.8
77.03943	1.4
79.05070	2.3
79.05499	38.2
81.03416	3.3
81.07063	65.6
82.44007	1.2
83.04990	18.2
85.06541	2.2
89.06032	4.2
91.05489	56.1
92.05791	1.3
93.07047	48.4
95.04983	15.5
95.08614	43.5
98.97588	3.3
105.03396	1.9
105.07040	76.8
107.08601	100.0
109.02851	2.6
109.06532	27.1
109.10165	50.9
110.01294	1.6
119.01803	3.6
119.06066	1.7
123.04460	7.8
123.08064	11.8
123.11718	15.1
124.03896	1.4
128.02307	2.8
128.98584	1.5
131.08598	4.7
133.02856	1.9
133.06570	1.5
133.10138	79.4
151.02901	2.9
151.03947	11.8
151.07574	26.0
151.08650	3.1
151.11189	74.5
151.14798	2.7
152.07129	2.8
164.88625	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03945	4.7
53.48191	0.9
55.01873	4.6
55.02121	0.9
55.05515	11.5
56.96577	2.4
57.03440	6.4
57.07074	1.4
65.03934	3.7
67.05510	69.0
68.95277	1.8
69.03435	9.7
69.07063	4.7
70.88075	2.0
71.04993	4.4
73.02886	1.0
73.89854	1.0
77.03915	1.1
79.05501	43.4
81.03415	3.3
81.07064	66.2
83.04544	1.7
83.04993	16.8
83.08609	2.8
85.06554	3.4
88.85429	0.9
89.06023	1.7
91.05489	58.6
92.05791	1.2
93.07052	43.6
93.07637	2.4
95.04975	15.1
95.08620	27.6
96.08174	1.2
97.06526	1.8
98.54179	1.1
98.97591	3.5
103.05465	1.7
105.03437	1.2
105.07040	73.4
107.08604	100.0
108.05803	1.2
108.08923	1.8
109.06532	22.6
109.10166	46.5
110.01239	1.5
116.48179	1.0
119.01791	2.7
119.06107	1.9
121.06539	1.4
121.52097	1.0
123.04437	5.9
123.08076	11.0
123.11719	13.3
127.07504	1.2
128.02299	3.1
131.08586	3.6
133.10138	82.7
136.64018	1.1
151.02797	2.4
151.03923	7.7
151.05882	1.5
151.06334	1.5
151.07555	13.4
151.11194	84.9
151.82396	1.4
152.07048	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
50.60685	0.8
52.84603	0.8
53.03949	2.0
54.05497	0.8
55.01876	4.9
55.05514	10.0
57.03441	5.7
57.07066	1.5
58.01678	0.9
61.55494	1.0
65.03932	3.0
67.05511	56.2
68.05846	0.9
69.03432	9.0
69.07073	5.2
70.77748	1.6
71.04987	2.5
79.05499	39.1
80.05827	1.0
81.03420	2.8
81.07063	62.9
83.04498	1.4
83.04985	19.2
85.06540	2.1
89.06026	2.0
91.05489	55.4
93.07052	43.4
95.04983	14.4
95.08615	18.5
97.06528	1.9
98.21516	0.9
105.07040	88.6
106.07335	1.2
107.04972	1.0
107.08603	100.0
108.08934	1.6
109.06524	17.7
109.10165	44.1
114.54192	1.0
117.07059	1.0
119.01814	1.5
119.06025	1.6
121.10162	0.9
123.04456	1.4
123.08103	8.0
123.11718	12.0
131.08548	4.4
133.10141	93.5
143.10207	0.9
151.02812	1.3
151.04001	2.1
151.07547	3.9
151.11194	93.5
152.07066	1.6
152.11620	1.2
157.66791	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03941	2.4
55.01865	4.1
55.05518	15.1
57.03439	8.3
57.07071	1.6
65.03941	2.3
67.05511	54.9
69.03437	12.4
69.07063	4.3
71.04987	2.6
77.74759	1.1
79.05499	37.2
80.57112	0.9
81.03394	2.2
81.07066	62.9
83.04985	28.6
85.06564	2.0
89.06037	1.9
91.05492	44.7
93.07051	47.6
93.07642	2.4
94.07382	1.3
95.04989	14.2
95.08615	13.5
97.06534	3.1
97.77393	1.0
98.21503	3.6
103.04314	1.1
105.07044	60.3
107.08604	69.3
109.06523	22.0
109.10168	34.4
119.06109	1.4
123.04422	1.4
123.08080	4.6
123.11721	8.6
131.08577	4.4
133.10141	64.8
134.10440	1.3
151.02870	3.2
151.07574	2.9
151.11194	100.0
152.11600	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03938	2.8
55.01867	4.0
55.05515	9.9
56.82356	1.1
56.96578	2.8
57.03435	5.2
59.05000	1.3
65.03938	3.6
67.05512	63.0
69.03436	7.6
69.07063	4.0
70.08891	4.9
71.04990	2.7
79.05499	45.3
81.03421	3.5
81.07064	67.9
83.04994	17.7
85.02914	1.9
89.06010	3.3
91.05485	60.9
92.61922	1.2
93.07049	44.0
95.04983	14.7
95.08609	22.9
97.06532	2.1
105.07041	86.9
106.07372	2.0
107.08602	99.2
109.06524	21.0
109.10165	40.8
109.10780	1.1
119.01792	1.8
119.06057	1.3
123.04414	3.1
123.08086	11.3
123.11720	11.8
131.08609	3.5
133.06444	1.2
133.10141	81.8
134.10445	1.6
151.02858	1.8
151.03925	5.0
151.04968	1.4
151.07649	7.7
151.11192	100.0
152.07103	2.2
169.47171	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03934	2.6
55.01867	1.8
55.05504	2.1
58.37374	0.8
64.95942	0.8
65.03613	1.8
65.03944	32.4
67.05508	8.9
69.07079	6.4
70.47269	2.3
79.05499	15.1
81.03417	1.0
81.07063	22.3
83.08631	1.5
90.84080	0.8
91.05497	7.6
93.03410	6.7
93.07051	25.8
95.04941	1.0
95.08605	4.3
98.03685	1.8
103.05494	1.8
105.04523	0.9
105.07024	3.7
107.04953	11.5
107.08599	21.2
108.04504	2.8
111.04436	3.7
120.05764	1.5
120.96204	0.7
121.02873	41.5
121.03981	11.1
121.06499	3.9
121.10158	6.6
131.04961	1.4
149.02354	100.0
149.03336	3.5
149.05992	3.6
149.09624	10.0
149.13266	22.6
150.02686	1.3
150.05498	1.5
166.80818	0.8
169.03432	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03929	4.1
53.37268	2.0
55.05514	14.6
65.03951	17.3
67.05507	7.1
69.07072	17.7
70.57854	2.7
70.58202	4.8
71.70296	2.0
73.39476	2.2
79.05499	47.3
81.07062	27.4
83.08643	2.7
91.05489	24.8
93.03444	3.0
93.07054	100.0
95.04971	3.5
95.08614	5.7
98.89745	1.9
105.07057	6.7
107.07872	4.6
107.08604	82.3
121.02877	18.3
121.03965	5.4
121.06503	2.2
121.10150	25.7
148.08694	2.2
149.02357	58.4
149.09679	3.8
149.13271	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	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03950	1.8
53.59436	1.4
55.05505	3.1
55.51997	1.1
65.03944	27.8
67.05508	12.3
69.07069	6.8
70.30611	1.1
79.05496	17.1
81.07067	34.7
83.08643	1.8
84.14949	1.2
91.05481	7.1
93.03412	6.7
93.07053	29.1
95.08619	3.6
105.07037	3.3
107.04972	10.7
107.08601	25.2
108.04487	2.0
111.04440	3.4
120.05713	2.2
121.02878	39.7
121.03986	13.1
121.10143	10.4
146.25760	1.1
149.02359	100.0
149.07101	1.4
149.09645	8.6
149.13261	23.6
150.02650	1.5
161.80614	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Hormodirene
Peak:m/z	Relative Intensity
50.72303	1.2
53.03933	2.9
55.01882	1.2
55.05501	4.2
65.03612	1.8
65.03946	32.2
67.05515	12.4
69.03382	1.4
69.07075	8.0
70.49170	1.9
79.05495	15.1
80.05016	1.5
81.07070	25.7
83.08620	2.1
85.42149	1.1
91.05489	10.6
93.03421	6.0
93.07054	37.7
95.04971	2.0
95.08598	3.1
103.05503	1.3
105.07024	6.2
107.07877	1.7
107.08603	35.3
107.82285	1.0
108.04460	2.7
111.04448	3.7
119.08617	1.6
121.02879	38.8
121.03979	12.8
121.06538	4.7
121.10154	26.3
123.08070	1.0
131.04974	1.6
131.08595	1.4
134.09206	1.7
139.03894	1.1
149.02361	100.0
149.03412	4.6
149.05952	6.9
149.09665	6.4
149.13263	29.3
150.02701	2.2
150.05487	2.1
156.49654	1.3
167.03362	1.2
169.03506	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	149.1327
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03938	1.6
55.05505	4.5
65.03950	28.9
67.05511	16.2
69.07068	8.7
70.28265	4.8
79.05500	22.6
80.05838	1.3
81.07064	41.2
83.08625	2.8
86.23758	1.5
89.57003	1.2
91.05478	6.1
93.03414	7.2
93.06474	2.8
93.07050	43.2
95.04977	1.3
95.08608	5.2
96.64706	1.4
105.07053	4.7
107.04969	3.1
107.08602	34.8
108.04466	2.9
111.04453	5.9
115.63174	1.3
121.02880	41.0
121.03989	11.3
121.06503	2.6
121.10149	13.5
131.04945	1.5
149.02359	100.0
149.03381	3.9
149.06015	2.6
149.09625	7.0
149.13269	33.4
160.40244	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03939	3.0
53.36407	0.8
55.01859	1.4
55.05503	4.2
59.95621	0.8
64.00564	1.0
65.03944	27.8
65.78325	1.0
67.05508	14.5
69.07073	6.3
71.53188	1.8
79.05495	19.9
79.36678	0.8
81.03412	2.5
81.07066	29.2
83.08623	1.4
91.05474	8.9
93.03398	4.5
93.07047	29.6
95.04954	1.4
95.08628	4.6
98.03663	1.9
105.03401	1.3
105.04506	1.4
105.07030	1.6
107.04958	20.2
107.08603	23.7
108.04478	2.2
109.09554	0.9
111.04445	3.2
111.65104	1.3
119.08562	1.2
120.05750	2.7
121.02872	38.1
121.03975	11.5
121.06459	1.2
121.10142	8.9
122.03246	0.9
122.06088	1.5
129.54543	1.0
131.04929	1.2
131.08559	1.1
137.15039	0.9
149.02351	100.0
149.05980	3.6
149.09628	16.1
149.10744	1.7
149.13272	25.0
149.14389	2.0
150.02675	2.0
150.05627	1.0
169.03470	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03941	1.3
55.01873	1.3
55.05500	1.6
65.03943	28.3
67.05502	7.0
68.65589	1.0
69.07074	5.2
79.05497	14.5
81.07063	18.4
91.05496	4.6
93.03411	6.0
93.07050	23.9
95.05006	1.7
95.08620	2.3
97.31503	1.1
104.63306	1.0
105.03403	3.1
105.06998	2.8
107.04958	3.8
107.08602	19.5
108.04466	1.3
111.04448	3.0
121.02001	2.1
121.02878	38.6
121.03984	11.9
121.04769	1.9
121.06436	1.4
121.10119	7.2
122.06003	1.3
131.04965	2.1
149.02357	100.0
149.03387	4.7
149.06004	2.8
149.09644	4.4
149.13260	17.2
150.02687	2.6
152.90939	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03946	2.5
55.01878	2.1
55.05509	9.4
61.22490	1.3
62.09959	1.3
65.03945	32.6
65.37757	1.3
67.05511	36.3
69.07072	13.6
69.47607	1.3
79.05498	45.0
81.07064	85.9
83.08601	4.1
91.05483	16.0
93.03416	7.7
93.07051	74.0
94.52799	1.4
95.04965	3.2
95.08609	13.1
98.03680	1.4
98.21519	3.6
105.04543	2.0
105.07037	6.5
107.04959	2.5
107.08607	60.0
108.04491	2.9
109.06512	2.1
111.04456	4.1
119.06075	2.5
119.08612	1.6
120.05637	1.6
121.02878	38.8
121.03992	11.3
121.06501	3.1
121.10164	20.2
149.02359	100.0
149.03354	3.9
149.06003	3.3
149.09645	5.9
149.13269	60.0
150.02684	1.5
150.13586	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Hormodirene
Peak:m/z	Relative Intensity
52.34608	1.0
53.03934	2.2
55.01894	1.4
55.05509	3.6
57.42270	0.9
65.03946	30.7
67.05514	13.7
69.07077	6.5
69.24025	2.7
69.24451	7.5
79.05501	16.7
81.07063	30.8
89.57024	1.0
91.05476	7.1
91.34781	1.1
93.03414	5.6
93.07050	30.9
95.08602	5.1
103.05492	2.0
104.01147	1.0
105.07047	2.2
107.04966	6.7
107.08600	22.9
108.04494	2.8
111.04450	3.2
121.02880	38.8
121.03977	8.8
121.06524	2.1
121.10155	8.7
131.04901	1.5
131.08650	1.5
149.02361	100.0
149.03395	3.9
149.06001	2.4
149.09633	12.9
149.13274	23.8
149.14507	1.0
150.02682	1.5
150.05522	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0963
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
50.09051	1.1
51.58067	1.0
53.03942	2.3
55.01874	7.9
55.05501	2.0
55.94722	0.9
62.90988	1.2
65.03947	30.4
67.05508	5.9
69.07066	2.9
71.42841	0.9
71.53590	1.6
76.80749	1.1
79.05496	20.1
81.03423	9.3
81.07069	9.5
83.04959	1.3
91.05489	11.8
93.03399	5.8
93.07055	27.0
95.04974	2.9
103.05470	2.9
105.07030	7.7
107.04970	5.1
107.08606	14.0
108.04490	2.1
111.04469	3.0
116.06242	1.3
121.02879	38.2
121.03977	9.8
121.06514	8.0
121.10150	8.6
122.03177	1.4
131.04955	1.8
131.08592	7.0
149.02364	100.0
149.03401	5.4
149.06006	9.4
149.09634	88.8
149.13266	9.0
150.02664	1.3
150.05478	1.8
150.09991	1.5
169.03441	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03934	2.8
55.05494	2.8
65.03611	1.9
65.03944	26.9
67.05511	8.4
69.07073	5.6
79.05499	14.6
81.07063	21.9
91.05485	7.5
93.03400	7.8
93.07052	29.0
95.08592	3.8
98.20714	2.6
101.89381	1.3
104.77336	1.4
105.03392	2.8
105.07056	2.0
107.04313	1.2
107.04977	4.9
107.08607	20.0
108.04477	2.5
111.04465	4.9
119.07291	1.1
120.05726	1.6
121.02008	1.8
121.02879	36.9
121.03982	13.2
121.06569	1.7
121.10135	6.1
124.12590	1.3
149.02357	100.0
149.03380	4.8
149.05997	3.3
149.07100	2.2
149.09621	7.0
149.10722	1.4
149.13278	22.0
150.02692	1.4
162.32668	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0963
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
50.76746	1.3
50.79279	1.1
53.03959	3.0
55.01869	9.4
55.05501	1.7
56.50546	1.3
65.03947	33.5
66.03952	1.2
67.05501	4.2
69.03420	2.8
69.73258	7.4
78.04706	1.4
79.05500	27.3
81.03400	1.4
81.07049	4.8
89.03918	5.5
91.05491	25.3
93.03400	6.2
93.07051	36.2
95.04942	2.5
96.09269	1.3
96.74592	1.3
103.05481	13.6
105.04559	1.6
105.07042	29.1
107.04966	12.3
107.08603	41.4
108.04491	2.4
109.06505	2.1
110.15030	1.3
110.97948	1.2
111.04459	3.5
116.06243	3.5
117.03371	2.5
119.06052	1.3
119.08597	3.6
121.02877	38.2
121.03990	10.5
121.06470	9.6
121.10147	12.9
129.07034	2.4
131.04944	23.4
131.08594	21.3
149.02359	100.0
149.03355	3.7
149.05988	15.4
149.09631	64.3
149.13269	5.9
150.02737	2.0
150.05510	2.3
158.71852	1.3
169.03505	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	149.0599
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
53.03946	3.7
55.01880	7.1
55.05508	3.1
56.96570	49.7
57.03424	2.2
58.06598	2.0
59.05004	1.0
59.07382	1.1
60.08165	0.8
61.02923	1.5
64.03176	0.7
65.03609	1.5
65.03947	29.6
65.10524	0.8
67.05511	10.2
67.51072	0.9
69.03433	2.7
69.07073	3.7
69.43383	2.4
69.43818	3.0
71.01355	1.0
71.04988	3.7
72.04534	0.8
73.02901	1.4
74.97614	2.5
77.03909	1.1
79.05499	38.4
80.05017	3.5
81.03424	4.4
81.07056	2.6
82.51577	2.6
83.04982	1.2
83.08591	1.4
83.97630	2.4
84.04497	0.7
84.96060	0.9
85.02908	2.2
87.00997	0.8
87.50842	0.6
88.99209	0.9
89.02563	0.7
89.03910	1.0
90.05575	0.8
90.78077	0.7
91.00541	1.1
91.05488	17.5
91.52114	2.1
92.05793	1.2
93.03397	5.9
93.07047	32.5
94.01784	0.9
95.04974	17.9
95.08624	0.9
96.51339	0.7
97.96806	1.2
97.99188	3.1
98.03122	1.1
98.03694	1.3
98.97609	2.1
100.99152	1.6
102.03362	4.8
103.02346	7.1
103.05476	91.0
104.03110	0.9
104.05787	1.6
105.03411	0.7
105.04521	1.2
105.07056	2.8
107.04965	25.3
107.08617	1.8
108.01525	2.0
108.04477	6.9
109.53893	1.3
110.97592	1.6
111.03850	2.8
111.04531	5.7
112.02847	9.5
113.03600	1.1
113.05987	1.7
113.53178	0.9
114.39054	0.8
114.53165	1.0
115.04108	2.0
115.53919	1.1
116.00182	0.9
116.98666	0.8
117.02072	5.1
118.54417	1.2
119.00172	1.8
119.04927	0.8
121.02878	34.3
121.03996	12.4
121.06513	36.1
121.10157	1.6
122.06028	2.1
123.07924	4.0
123.53623	1.4
124.04665	2.6
124.69671	0.7
126.02579	11.6
126.59486	2.4
127.00707	1.2
128.00163	0.9
128.98602	2.2
129.53651	5.2
131.04927	9.7
131.08597	1.6
132.17506	0.7
133.05113	1.1
135.03131	7.7
138.54150	5.3
139.03900	1.4
141.05463	1.5
143.00197	1.7
143.03815	1.7
144.98067	1.6
145.01750	1.0
146.01263	1.4
147.54738	1.8
149.02361	100.0
149.03407	5.5
149.05998	17.1
149.07080	2.0
149.09634	3.0
149.11626	6.5
150.05515	10.9
150.07742	1.5
150.09070	0.8
151.02412	1.3
158.99666	1.6
160.66441	0.9
161.01292	2.0
161.04828	3.8
162.99155	6.2
163.02782	1.9
164.02333	3.1
168.03253	1.1
169.03523	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	147.117
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03947	2.7
55.05516	14.0
64.92521	1.4
64.92817	7.6
65.03951	4.0
65.28549	1.2
67.05492	4.2
69.07076	3.0
69.56178	7.1
77.70431	1.2
77.89325	1.3
79.05501	9.8
81.07053	3.0
83.06918	1.7
84.04504	2.3
84.08179	2.3
91.05487	70.5
92.05799	1.4
93.07038	5.4
93.27604	1.2
101.07941	4.1
103.05472	5.1
105.07040	95.7
107.04957	8.8
107.08595	5.3
117.07040	11.3
119.04951	27.9
119.08591	100.0
123.96466	15.5
129.07024	3.6
130.05078	1.6
131.08575	1.9
132.05695	4.4
132.09357	3.8
145.10117	5.6
146.98076	1.4
147.04448	20.3
147.05531	2.9
147.08058	34.7
147.09225	2.3
147.11700	68.9
148.03947	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Viridiene
Peak:m/z	Relative Intensity
55.05511	5.4
58.50056	1.2
65.03946	7.3
69.07060	4.8
70.46035	2.2
70.46374	2.7
74.05703	1.0
79.05486	3.0
81.07070	1.9
83.06899	1.5
84.04491	1.8
84.39349	1.0
91.05489	100.0
93.07056	2.7
93.99958	0.9
101.07951	4.2
103.05494	2.2
105.07043	48.2
107.08585	3.4
115.05412	1.3
116.06209	1.8
117.07029	7.0
119.04956	88.2
119.08590	63.1
120.05280	1.9
128.49573	1.2
129.07030	1.1
131.08623	1.5
132.09377	3.9
145.10114	5.5
147.04420	54.9
147.08093	8.6
147.11705	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	147.0805
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
55.01868	2.9
55.05497	1.1
64.37165	0.7
64.92799	2.9
65.03948	1.3
67.05498	1.4
69.03419	2.1
69.20911	6.4
79.05504	5.9
83.06888	0.9
84.04504	1.9
84.08166	0.9
91.05485	74.4
92.05801	0.8
93.07043	1.9
95.04964	0.9
98.20776	1.2
101.07955	2.3
103.05489	3.3
104.06233	2.3
105.07035	15.9
105.95466	0.9
107.04961	24.4
115.05434	2.0
117.07021	12.5
119.04953	12.5
119.08588	57.0
120.08904	1.2
123.96455	7.3
128.06198	4.0
129.06999	8.5
131.04944	1.7
132.05724	15.1
145.06490	2.4
146.98090	0.9
147.04448	9.2
147.05576	2.0
147.08052	100.0
147.11696	9.6
148.08420	1.9
155.06036	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
65.03946	5.7
69.87788	2.2
69.88197	1.3
74.51495	0.6
79.25613	0.6
91.05486	72.5
92.05801	0.7
97.40350	0.6
98.21510	0.7
101.07933	0.8
119.04949	100.0
120.05273	1.2
124.97832	0.7
147.04416	54.6
147.49776	0.7
148.04724	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0438
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
58.97605	0.6
64.92806	1.6
65.03946	5.7
67.05502	0.5
70.77693	1.1
83.06956	0.5
84.04513	0.9
91.05487	83.0
92.05824	0.9
100.43706	0.4
101.07957	1.7
103.05511	0.5
105.07040	4.6
107.04945	0.7
109.35540	0.4
112.00288	0.5
117.07018	0.7
119.04951	100.0
119.08611	5.1
120.05306	1.3
123.96487	3.0
147.04422	58.8
147.08015	3.9
147.11722	2.5
148.04765	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.05516	0.7
60.04477	0.5
64.92831	0.6
65.03942	6.7
69.07071	0.8
69.83865	2.1
69.84285	0.9
84.04501	0.7
91.05489	78.5
92.05785	0.9
93.06963	0.5
95.04980	0.6
98.20776	0.8
105.07040	2.7
111.94005	0.5
119.04955	100.0
119.08584	5.5
120.05280	1.3
123.96449	0.6
145.10194	0.6
147.04424	58.5
147.08073	2.3
147.11717	2.5
148.04753	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.3
53.84044	0.6
55.01858	2.5
55.05508	1.1
57.03433	1.1
61.02906	0.6
62.92997	1.1
67.05506	3.9
69.03414	1.6
69.61407	2.1
69.61811	0.9
71.01336	0.8
71.04998	10.4
72.08149	0.7
74.56757	0.6
79.05497	1.1
81.03418	4.4
82.06580	1.0
82.12745	0.6
85.02906	3.8
85.06564	1.0
89.03919	1.3
91.05489	9.3
93.37782	0.6
97.02921	1.3
98.21476	1.3
99.04458	30.4
100.07626	2.3
101.02388	0.6
103.05472	1.8
103.25712	0.6
105.07037	38.8
109.10158	2.3
115.05463	5.1
116.06264	0.9
117.03384	0.8
117.07021	17.0
121.96635	2.9
127.03921	7.2
127.11203	1.6
128.06204	3.6
129.07005	6.8
130.07796	35.6
131.08151	0.7
131.56914	0.6
136.51434	0.5
143.08575	7.7
145.05038	3.2
145.06500	2.2
145.10130	100.0
146.06003	3.2
146.10512	1.5
155.06012	0.7
157.07631	0.6
158.04521	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.9
55.01862	7.5
55.05508	4.6
56.96563	2.4
57.03427	9.6
57.07051	3.6
59.04999	13.0
67.05498	6.0
69.03424	7.6
69.16850	2.1
70.56957	5.0
70.57288	2.7
71.04996	45.1
72.08156	11.2
73.48509	1.9
76.86111	2.2
79.05491	3.4
81.03031	2.2
81.03423	18.3
81.07053	14.2
83.08580	2.3
85.02904	25.1
85.06544	79.1
87.48972	2.0
97.02897	3.7
99.04457	100.0
100.07629	5.5
103.03950	27.5
109.06541	3.1
117.88693	2.2
121.96648	3.0
127.03943	19.4
127.07536	9.7
145.05006	13.5
146.05998	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	144.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76171	2.7
60.95850	12.4
69.78082	2.8
70.48918	11.0
75.94560	6.1
80.51081	3.3
84.99582	4.6
101.00905	6.5
102.00986	12.7
102.96189	5.3
102.96872	100.0
103.00636	18.3
119.01942	14.8
120.02002	29.6
120.97929	37.6
121.01680	36.7
126.02246	4.1
129.49399	7.5
138.03030	5.4
138.49893	14.3
138.98923	11.2
139.02751	2.8
142.03508	6.3
144.03239	19.2
150.00743	9.7
150.50710	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	144.1021
Annotation	Stachydrine
Peak:m/z	Relative Intensity
51.02169	0.3
53.46854	0.2
53.86716	0.2
55.05504	0.3
57.27151	0.3
58.06605	10.2
68.46684	0.2
69.76469	1.2
70.06562	0.3
71.04974	0.3
72.08134	0.8
75.31924	0.3
77.21439	0.3
84.08152	13.4
87.73017	0.2
88.42679	0.2
92.84133	0.2
98.09699	2.3
98.21478	0.4
99.04439	0.6
102.05565	1.1
129.07899	0.3
144.10211	100.0
145.10548	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44213	7.3
52.78853	7.4
55.01868	29.7
56.96569	17.9
57.10950	8.2
67.59926	7.3
71.43372	14.5
82.99854	12.0
94.23685	7.0
98.97598	16.0
100.97253	8.0
101.00892	70.2
108.85275	8.1
118.03461	8.0
119.01924	100.0
130.55298	11.7
131.01837	6.9
137.02977	14.2
138.32912	6.8
142.03506	44.8
142.08659	7.4
143.03447	13.5
160.04509	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	142.0864
Annotation	Arecaidine
Peak:m/z	Relative Intensity
50.28918	0.6
51.82476	0.8
54.16874	0.7
55.01855	2.6
55.05504	1.0
56.05030	1.2
61.48594	0.6
67.05492	1.1
69.03067	0.7
69.03424	1.3
69.85597	2.4
70.06547	0.9
71.04999	30.0
72.04517	10.5
79.05502	10.2
81.07052	0.7
82.02924	1.6
82.06575	0.9
95.04903	0.8
96.08125	4.2
97.02898	1.3
97.06524	0.7
106.06562	32.7
107.90058	0.6
114.09164	0.9
121.64737	0.7
124.07597	100.0
125.02347	1.1
125.07909	0.7
126.91573	0.7
130.39709	0.6
131.05559	0.7
142.08649	24.4
143.03418	6.1
158.52155	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.9
56.05036	2.2
56.96560	0.6
57.03424	1.5
58.06604	2.1
58.99841	0.3
61.02917	1.4
68.02643	0.4
68.05031	5.5
69.03418	1.3
70.06598	12.3
70.19574	1.0
70.99859	0.8
72.08160	5.5
73.02927	2.4
73.07710	0.4
74.06030	0.4
77.00900	0.6
77.92908	0.4
78.52953	0.7
79.02180	1.1
81.01893	0.8
81.03432	0.9
81.04543	15.8
82.01447	2.3
82.99849	1.4
83.06091	0.9
84.08140	3.4
84.52960	0.9
85.02905	1.7
86.52707	0.7
87.01917	0.8
88.02692	2.0
88.25056	0.4
88.52704	0.4
89.00887	0.5
90.52981	0.8
92.52678	0.9
93.01897	1.9
93.52012	0.5
93.53472	1.1
95.06100	8.6
96.02390	0.4
96.52471	0.4
97.02894	0.8
97.07661	47.3
98.06057	2.9
98.07887	0.6
98.08443	5.7
98.09701	8.7
98.20828	0.5
98.52688	1.3
98.97570	0.9
99.53462	1.2
100.02493	4.6
100.03989	0.5
101.00889	11.9
101.02593	0.8
101.07145	2.7
101.53218	0.7
102.00974	0.7
102.02422	2.3
102.05549	0.7
104.52689	1.1
109.02849	0.9
111.02949	1.4
113.00906	1.2
113.53222	1.6
115.02475	0.6
115.12328	0.6
117.04328	0.4
118.03530	0.9
119.01928	14.7
120.02032	0.8
122.53738	1.4
124.02494	2.1
125.00798	0.4
125.02430	0.5
125.07121	9.1
127.03912	0.7
131.01907	1.6
131.54236	1.0
137.02980	1.2
139.02463	0.4
142.03535	4.2
143.01906	2.3
143.03629	1.0
143.08167	100.0
143.11797	5.0
144.08487	0.9
144.10204	21.0
145.03494	0.5
154.03540	1.0
157.03502	0.6
161.02977	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	139.1482
Annotation	3-Ethyl-1,5-octadiene
Peak:m/z	Relative Intensity
53.49677	1.4
55.05516	70.9
57.07080	17.9
60.18883	1.4
69.07072	50.4
70.52903	4.4
71.08619	3.4
81.07053	2.4
83.08625	100.0
93.04528	2.0
95.06091	3.3
97.10179	22.4
98.07153	2.8
98.20829	1.8
121.03986	10.2
122.48302	1.6
124.34019	1.5
126.64890	1.5
139.05002	7.8
139.07565	2.1
139.08662	2.9
139.12248	2.2
140.07195	1.4
140.08249	1.7
159.57368	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51954	0.4
55.64295	0.4
56.96297	0.8
56.96567	13.5
57.60167	0.4
70.88921	1.0
71.12656	0.4
71.95261	4.7
76.02920	0.4
87.26870	0.4
98.97587	100.0
116.98625	37.8
134.99652	7.6
140.00194	1.1
153.00713	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0911
Annotation	4-Vinylcyclohexene diepoxide
Peak:m/z	Relative Intensity
53.03944	0.9
55.01875	21.5
55.05510	1.7
57.03437	1.2
67.05513	4.6
69.07060	0.6
71.04981	2.3
79.05500	1.2
81.03419	1.9
81.07060	8.2
85.02905	1.5
85.06534	0.7
93.07040	0.6
95.01339	0.8
95.04988	1.4
95.08604	7.0
97.06537	100.0
98.06888	0.6
98.09687	0.6
99.08096	0.7
108.43880	0.5
109.02922	0.8
113.02366	3.3
113.06033	0.5
113.09601	0.5
121.65684	0.4
123.04519	0.6
123.08108	2.4
123.11735	0.6
125.05969	0.6
141.01840	5.3
141.05486	2.1
141.07272	0.5
141.09096	3.3
141.11188	0.4
142.08649	0.7
157.60208	0.4
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
63.13696	5.8
70.93367	12.9
71.93955	7.3
82.99833	8.7
89.55738	6.9
93.81741	5.2
101.00895	70.5
104.22210	6.1
119.01923	100.0
119.48956	7.4
124.02472	8.6
128.49469	15.1
137.02940	21.6
137.50049	7.3
142.03502	50.6
159.48132	6.7
160.04556	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	139.039
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03932	2.3
55.01872	6.1
55.05514	4.1
56.24991	0.5
56.96569	3.4
57.03432	1.1
59.04988	1.3
59.31611	0.6
65.03948	10.5
67.01859	2.5
67.05508	7.2
68.99790	8.9
69.03422	4.8
69.07062	2.0
70.92028	1.2
71.01353	1.3
79.05486	2.5
81.07048	1.6
83.04987	8.2
85.00715	0.5
91.05470	2.1
93.03407	10.4
93.04494	0.5
93.07049	4.7
95.04983	3.5
95.08622	2.9
97.02883	3.3
97.06527	5.8
98.97620	3.1
98.98454	3.0
99.20840	0.6
111.04448	26.7
111.08095	0.9
111.89968	0.5
116.98647	1.4
121.02879	2.4
121.04004	2.0
121.06507	1.4
121.10149	1.4
134.99640	0.6
137.22049	0.5
139.03908	100.0
139.05780	2.9
139.07503	2.7
139.08586	1.1
139.11214	4.0
140.03401	0.8
140.04341	0.9
149.02379	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0391
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.00315	3.8
53.03943	3.7
55.01885	6.0
55.05519	4.9
56.96571	12.8
60.36859	0.8
62.29588	0.7
65.03608	1.4
65.03951	28.7
67.05515	5.9
68.99805	9.8
69.03424	3.2
69.07078	1.1
69.86528	3.1
69.86935	1.7
71.01336	0.8
71.95246	1.4
79.01835	0.8
79.05500	1.1
81.03420	4.1
83.04990	11.3
83.97598	0.9
91.05475	1.3
93.03427	11.7
93.04543	0.9
93.07055	1.9
94.06556	1.1
94.53363	0.9
95.04980	7.0
95.06922	1.8
95.08611	1.2
96.02122	1.6
97.02906	3.8
97.06540	1.8
98.97602	23.1
98.98499	3.8
110.51104	0.9
111.04457	50.2
111.08109	1.6
116.97277	1.5
116.98637	11.9
121.02882	13.4
121.04002	5.8
122.06078	0.8
129.53638	1.7
130.49272	0.7
134.99678	3.3
136.05280	0.8
138.54140	1.1
139.03923	100.0
139.05690	10.9
139.07567	1.8
139.08676	5.0
139.09602	1.0
139.11212	1.0
140.04269	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40703	0.8
53.03945	2.4
55.05515	4.7
57.07084	11.5
65.03947	2.0
66.04723	2.6
67.05511	28.9
69.07082	7.8
71.08636	1.2
71.54134	1.0
77.03942	1.0
79.05501	12.3
81.03413	2.0
81.07064	71.9
91.05495	9.6
93.07052	9.3
94.04195	23.9
94.06573	1.9
95.04999	4.7
95.08612	100.0
96.08897	1.3
100.12273	0.9
104.06314	0.9
105.42764	1.0
107.04933	3.4
107.08605	1.1
108.73424	1.1
109.06506	6.1
109.10170	14.4
110.06020	1.6
112.41542	0.8
119.04962	2.0
119.08578	2.7
122.03653	36.9
122.07261	5.9
137.02501	4.6
137.05974	93.8
137.09618	20.9
137.10617	1.1
137.13264	19.1
138.05501	10.4
138.06390	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	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03931	1.7
53.98536	0.8
55.05508	4.9
57.07076	12.9
65.03924	2.0
65.04250	0.7
67.05184	1.5
67.05510	20.2
69.07067	7.3
70.91659	2.1
70.92024	1.4
79.05489	9.7
81.03432	0.9
81.07064	74.5
82.07395	1.4
88.41216	0.9
89.55965	0.9
91.05467	3.1
93.07056	6.8
94.04193	6.1
95.04946	2.5
95.08615	100.0
108.09399	1.3
109.02880	1.3
109.06490	3.5
109.10153	7.7
119.04990	1.1
122.03650	9.7
125.91131	0.8
128.58051	0.8
134.36919	0.9
137.02490	4.0
137.05960	28.3
137.09615	2.6
137.13266	19.9
138.05467	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	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03928	0.3
57.81200	0.2
65.03943	0.5
67.05495	0.7
71.08653	0.4
78.03442	0.6
92.05010	6.9
93.05772	0.5
94.06570	12.7
96.04473	1.5
97.98406	0.2
110.06042	6.0
121.06530	0.4
136.03993	0.3
138.05505	100.0
139.05846	0.8
154.04977	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.01863	2.7
55.05500	4.3
57.07069	5.3
65.03926	3.2
66.04710	3.4
67.05506	35.4
68.07517	1.1
69.03425	2.3
69.07064	4.7
71.53459	1.1
76.37472	0.9
79.05505	13.0
81.03421	4.9
81.07061	52.6
83.04948	1.5
91.05490	18.5
91.42486	0.9
92.04982	1.4
93.07061	11.3
94.04192	27.1
94.06577	1.1
95.04987	6.9
95.08613	56.6
95.74935	0.9
107.04958	6.9
107.08611	2.3
109.06525	17.8
109.10164	20.4
110.06046	2.6
117.07024	1.8
119.04936	2.8
119.06047	1.3
119.08583	6.7
120.04450	2.8
121.06488	2.3
122.02748	2.1
122.03654	43.6
122.07296	20.4
123.03964	1.1
137.02467	7.8
137.05968	100.0
137.09625	45.5
137.10686	2.2
137.13246	9.2
138.05467	14.3
138.06361	1.9
138.09065	1.5
159.52516	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
50.40703	0.8
53.03945	2.4
55.05515	4.7
57.07084	11.5
65.03947	2.0
66.04723	2.6
67.05511	28.9
69.07082	7.8
71.08636	1.2
71.54134	1.0
77.03942	1.0
79.05501	12.3
81.03413	2.0
81.07064	71.9
91.05495	9.6
93.07052	9.3
94.04195	23.9
94.06573	1.9
95.04999	4.7
95.08612	100.0
96.08897	1.3
100.12273	0.9
104.06314	0.9
105.42764	1.0
107.04933	3.4
107.08605	1.1
108.73424	1.1
109.06506	6.1
109.10170	14.4
110.06020	1.6
112.41542	0.8
119.04962	2.0
119.08578	2.7
122.03653	36.9
122.07261	5.9
137.02501	4.6
137.05974	93.8
137.09618	20.9
137.10617	1.1
137.13264	19.1
138.05501	10.4
138.06390	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	2,4(8)-p-Menthadiene
Peak:m/z	Relative Intensity
53.03939	3.9
55.01863	2.7
55.05500	4.3
57.07069	5.3
65.03926	3.2
66.04710	3.4
67.05506	35.4
68.07517	1.1
69.03425	2.3
69.07064	4.7
71.53459	1.1
76.37472	0.9
79.05505	13.0
81.03421	4.9
81.07061	52.6
83.04948	1.5
91.05490	18.5
91.42486	0.9
92.04982	1.4
93.07061	11.3
94.04192	27.1
94.06577	1.1
95.04987	6.9
95.08613	56.6
95.74935	0.9
107.04958	6.9
107.08611	2.3
109.06525	17.8
109.10164	20.4
110.06046	2.6
117.07024	1.8
119.04936	2.8
119.06047	1.3
119.08583	6.7
120.04450	2.8
121.06488	2.3
122.02748	2.1
122.03654	43.6
122.07296	20.4
123.03964	1.1
137.02467	7.8
137.05968	100.0
137.09625	45.5
137.10686	2.2
137.13246	9.2
138.05467	14.3
138.06361	1.9
138.09065	1.5
159.52516	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02369	0.9
52.54030	0.8
53.03931	2.9
55.01867	2.3
55.05494	3.5
57.07065	2.3
65.03928	3.2
66.04705	3.2
67.05508	28.4
69.03427	1.6
69.07058	2.6
70.64989	2.1
79.05494	10.6
81.03426	3.9
81.06596	1.5
81.07063	27.6
83.04977	1.1
91.05486	16.2
92.04981	0.8
93.07046	7.4
94.04192	24.5
94.06544	1.4
95.04977	6.9
95.08609	26.7
105.03383	0.9
105.04510	1.6
107.04987	6.9
107.08573	2.4
109.02869	2.0
109.06525	17.7
109.09461	1.3
109.10157	16.6
110.06038	1.6
117.06982	1.2
118.99680	0.9
119.04919	2.5
119.08580	5.0
120.04488	1.9
121.06525	1.0
122.03653	40.0
122.07285	15.7
128.88475	0.8
135.04446	0.7
137.02435	5.7
137.05971	100.0
137.09618	42.4
137.10649	1.4
137.13226	4.6
138.05489	7.6
138.06407	1.1
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
51.02396	0.9
53.03954	5.4
55.01844	0.5
55.05513	0.6
57.07072	0.9
65.03931	1.9
66.04723	2.8
67.05509	3.7
68.55625	0.5
68.99767	0.7
69.07067	1.2
69.11634	0.5
70.03060	2.3
76.15863	0.5
77.03931	0.9
79.05504	21.3
79.05966	1.1
81.03419	1.2
81.07068	11.4
81.92563	0.5
91.05492	4.8
93.07032	2.2
94.03606	0.8
94.04197	12.2
95.04991	4.8
95.08630	5.2
105.03399	1.5
105.04503	2.1
107.04950	3.7
109.06527	38.9
109.10167	1.0
110.06063	0.6
110.06823	0.7
119.04939	1.3
122.03674	6.1
137.02504	2.7
137.05983	100.0
137.09622	2.6
138.05469	1.2
138.06386	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03926	5.5
55.01862	2.3
55.05513	12.5
57.03419	2.8
65.03924	5.3
66.04697	2.3
67.05508	46.1
69.03420	3.9
69.07044	2.3
71.52624	1.7
74.91174	1.3
79.05137	1.5
79.05499	14.8
80.68232	1.4
81.03394	5.3
81.06668	2.0
81.07063	24.1
83.04996	1.7
91.05484	17.1
92.04961	1.9
93.07042	15.4
94.04202	23.3
94.06567	3.9
95.04978	36.3
95.08604	17.0
105.04507	1.7
105.06981	1.8
107.04988	7.0
107.08578	5.4
109.02857	1.8
109.06544	12.8
109.10162	35.1
110.05994	5.3
116.00248	1.6
117.06927	1.7
119.04983	3.5
119.08515	5.0
122.03652	42.9
122.07259	2.9
137.02469	9.7
137.05948	100.0
137.09622	34.5
137.10660	2.1
138.05507	32.9
138.09109	2.2
150.60378	1.4
151.51402	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03704	0.6
53.03949	5.6
65.03925	1.4
66.04739	2.5
67.05507	0.9
69.47084	3.2
70.16534	0.4
77.03903	0.7
79.05499	21.1
81.07063	11.2
81.08018	0.4
91.05515	2.0
93.07037	0.9
94.04202	9.7
95.04970	3.4
98.21531	0.9
105.03422	2.0
105.04530	1.7
109.06528	41.3
110.04841	0.4
120.35880	0.4
122.03691	1.1
137.05986	100.0
138.06371	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03951	2.3
55.01873	4.1
55.05500	1.8
60.49191	0.5
65.03929	1.3
66.04726	2.7
67.05507	13.4
68.99786	0.7
69.03429	1.0
69.07066	0.9
69.63459	2.6
77.03916	0.6
79.05493	8.6
81.03423	2.1
81.07059	20.7
82.58645	0.4
84.68048	0.4
91.05483	12.4
93.07047	2.8
94.04191	27.3
95.04556	0.4
95.04984	3.9
95.08608	6.7
105.04502	0.8
107.04955	3.8
107.08567	0.8
109.02858	0.5
109.06522	12.4
109.10158	10.7
109.48083	0.4
119.04936	2.4
119.06099	0.6
119.08595	2.6
121.06496	0.7
122.03651	43.0
122.07279	9.4
123.04005	0.7
135.08037	0.5
137.02411	4.9
137.05978	100.0
137.09605	21.0
137.13196	0.7
138.05490	1.8
138.06410	0.9
159.25275	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02375	0.4
53.03950	3.7
55.01859	0.7
55.05486	0.5
55.58036	0.4
57.07078	0.4
59.02434	0.4
60.28466	0.3
65.03931	1.6
65.87359	0.3
66.04728	2.4
67.05513	2.7
68.99765	0.7
69.07066	0.7
69.18953	3.4
69.19360	0.7
77.03906	1.1
79.05500	17.4
81.03413	1.3
81.07064	13.2
91.05480	3.5
93.07041	1.6
94.03608	0.7
94.04192	13.9
94.06570	0.6
95.05000	2.4
95.08623	4.9
96.04423	0.4
105.03389	1.1
105.04509	1.2
107.04968	1.1
109.02878	0.9
109.06522	31.9
109.10161	1.1
110.06921	0.7
119.04972	0.5
119.08585	0.8
122.03654	12.8
122.07318	0.3
137.02486	3.0
137.05978	100.0
137.09557	3.7
137.13245	0.8
138.05472	2.6
138.06367	1.1
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
51.02357	0.7
53.03952	5.2
55.01850	0.4
65.03934	1.8
66.04721	3.0
66.46205	0.4
67.05512	2.5
68.07629	0.5
69.88005	2.1
77.03926	1.5
79.05499	19.8
81.03420	0.5
81.07063	11.1
91.05466	2.8
93.07029	0.7
94.04190	9.1
95.04964	3.6
95.08607	1.4
105.03390	1.4
105.04510	1.9
109.06525	39.8
109.10165	0.7
112.54334	0.4
115.43636	0.4
122.03640	1.6
133.93048	0.4
137.02472	1.3
137.05981	100.0
138.06357	1.2
156.22853	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03949	5.0
65.03931	2.1
66.04712	2.8
67.05497	2.3
70.98006	1.6
79.05499	23.4
81.03417	0.9
81.07061	15.2
91.05489	3.9
93.07024	1.5
94.04198	9.6
95.04969	3.3
95.08595	3.9
105.03393	1.3
105.04511	2.1
107.04950	2.1
109.02888	0.7
109.06523	38.6
119.04958	0.9
122.03658	1.5
137.02457	2.5
137.05980	100.0
137.09634	1.6
138.06326	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02374	0.4
53.03939	0.8
55.01872	0.4
63.34060	0.2
65.03941	0.7
66.04726	3.0
67.05512	0.6
69.03417	0.3
69.86192	0.7
69.86602	0.4
77.03924	0.4
79.02386	0.2
79.05492	3.1
81.03400	0.3
81.07058	2.1
91.05483	3.6
93.07018	0.3
94.04188	28.6
95.05000	0.9
95.08617	0.5
105.03401	0.5
107.04961	1.7
109.06548	1.1
119.04899	0.3
122.03651	47.8
123.04008	0.4
135.04437	0.6
137.05977	100.0
138.06354	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.22491	0.2
51.02396	0.5
53.03956	0.8
55.01875	0.4
65.03957	0.8
66.04721	3.1
67.05500	0.3
69.03419	0.4
69.31118	0.8
69.31537	1.4
77.03945	0.7
79.05498	2.5
81.07066	1.4
91.05480	2.8
91.28049	0.2
94.04193	25.1
95.05025	0.3
107.04958	1.4
109.06505	0.7
122.03655	46.1
123.03992	0.4
128.38885	0.3
137.05983	100.0
138.06345	1.4
138.24127	0.3
146.63040	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Adenine
Peak:m/z	Relative Intensity
54.11333	0.2
70.47141	0.8
74.95267	0.3
94.04059	2.5
109.05145	0.4
119.03551	7.6
136.06190	100.0
137.04593	3.0
137.06543	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02999	0.1
56.61346	0.0
56.96572	0.1
57.03440	0.0
59.39299	0.0
65.01421	0.1
66.07076	0.0
67.02975	0.2
69.03413	0.0
70.96170	0.1
75.01923	0.0
82.01444	0.1
82.04063	0.1
83.00793	0.1
83.50501	0.0
91.05483	0.4
92.02515	0.3
93.03202	0.0
94.04057	2.6
98.97589	0.0
100.02485	0.1
101.00902	0.2
102.51349	0.1
104.01286	0.0
109.05145	0.4
112.05100	0.1
113.00894	0.1
113.01760	0.1
118.03483	0.0
118.06543	0.0
119.03554	8.2
120.03860	0.1
131.01910	0.1
136.06190	100.0
137.04593	3.0
137.05620	0.1
137.06621	0.8
141.72177	0.0
143.87305	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03937	1.4
55.01875	0.5
55.05507	0.7
57.03428	0.3
57.07058	1.0
60.84774	0.3
65.03938	1.3
66.04723	2.7
67.05508	5.7
69.03425	0.8
69.07040	0.5
71.16501	0.4
71.16834	0.5
74.14530	0.4
77.03918	0.6
77.18021	0.3
79.05502	5.4
81.03426	1.2
81.07065	11.1
91.05488	7.7
92.05018	0.5
93.07059	2.4
94.04195	24.2
94.06564	0.5
95.04462	0.4
95.04988	2.6
95.08048	0.6
95.08614	7.3
98.62178	0.3
105.03372	0.4
105.04527	0.4
107.04918	1.7
109.02872	0.8
109.06516	4.0
109.10188	2.5
110.06033	0.8
119.04947	1.4
119.08576	0.9
120.04494	0.5
121.06545	0.4
122.03657	42.6
122.07298	1.5
137.02502	3.4
137.05981	100.0
137.09583	5.4
137.13272	1.1
138.05484	5.3
138.06358	0.9
138.09106	0.7
144.33141	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03954	1.6
55.05519	3.5
55.35428	0.5
61.51762	0.5
65.03958	0.8
67.05519	1.0
69.07083	1.2
71.04863	1.4
72.08188	0.6
77.03911	1.3
79.05500	9.0
81.07070	1.8
89.10815	0.5
91.05489	16.8
93.07050	35.8
95.04991	1.6
95.35869	0.5
97.53752	0.6
103.79576	0.5
105.04536	0.5
105.07050	9.3
107.08603	100.0
108.08909	0.8
109.06509	2.2
117.07003	0.7
119.06079	2.1
119.08590	4.1
120.09388	1.1
124.27098	0.6
135.05438	0.6
135.08066	1.3
135.10690	1.3
135.11697	20.3
136.06186	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03941	7.3
53.52569	1.7
55.01880	2.1
55.05510	12.7
55.76442	1.6
65.03940	2.4
67.05511	17.5
68.95130	1.7
69.07066	6.9
70.78920	4.8
72.08158	2.1
79.05499	65.1
79.23428	1.7
81.03411	2.6
81.07062	20.3
85.17000	1.9
91.05488	38.3
93.07052	100.0
95.04947	4.6
105.04499	2.2
105.07024	11.4
107.04961	11.9
107.08604	91.4
109.01099	2.0
109.06531	2.9
112.64377	2.4
115.05441	2.9
117.07027	4.7
119.03611	1.9
119.06057	2.2
119.08620	7.0
120.09333	2.6
125.91418	1.7
131.35614	1.8
135.04430	14.3
135.05557	4.9
135.08075	29.5
135.11708	78.3
136.02182	26.4
136.06201	38.4
136.07481	2.9
136.12012	2.0
140.09747	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.11010	1.5
53.03938	5.8
55.05518	10.2
57.00047	1.4
60.25305	1.7
67.05508	54.0
69.07075	10.1
70.57968	3.8
70.58358	3.3
79.05497	61.9
81.07059	32.8
91.05479	18.3
93.07050	100.0
94.78561	1.6
95.04957	3.8
100.11239	1.6
105.04504	4.4
105.07028	7.8
107.04993	3.4
107.08604	61.8
113.28403	1.7
135.04446	4.7
135.05492	3.0
135.08119	10.9
135.08974	2.0
135.11700	86.7
136.02165	15.2
136.06204	27.9
136.07288	2.2
136.07645	1.6
139.69183	1.8
141.38884	1.7
149.69820	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03933	6.9
54.38967	1.6
55.01864	2.8
55.05521	8.5
65.03926	2.7
67.05511	50.7
69.07082	8.9
69.07392	1.9
70.81052	5.0
79.05499	67.6
79.67148	1.8
81.03413	2.1
81.06658	2.2
81.07066	27.5
91.05494	26.3
93.07050	100.0
95.04984	2.9
98.21470	2.1
105.04465	2.5
105.07023	6.0
107.04959	6.4
107.08605	62.2
108.32800	1.7
111.44751	1.7
118.06533	2.4
119.03574	2.7
119.08537	1.8
133.10164	2.1
135.04417	6.8
135.05414	2.0
135.08096	11.8
135.11700	94.8
136.02171	20.3
136.06204	39.1
136.07439	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	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34501	1.3
53.03946	7.0
55.01865	2.4
55.05513	10.4
65.03947	3.3
67.05514	50.9
67.85014	1.5
69.07078	9.4
69.81805	1.4
70.28590	3.1
70.28988	2.9
72.01237	1.6
77.03912	1.5
79.05503	69.2
81.07065	31.0
88.39816	1.4
91.05486	25.7
93.07051	100.0
93.50702	1.4
95.04967	5.8
95.96970	1.6
98.21455	1.4
105.07030	6.8
107.04971	4.5
107.08604	64.0
109.06535	1.9
117.07008	1.7
117.74724	1.5
119.08594	3.9
120.09374	1.5
133.10120	1.5
135.04410	6.1
135.05502	3.2
135.06505	1.8
135.08089	10.8
135.11702	85.2
136.02193	11.9
136.06195	21.4
136.07309	2.3
136.07610	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03935	2.2
53.33482	0.7
55.05513	3.7
57.02280	0.6
65.03939	1.4
67.05503	1.6
69.07073	0.9
70.47207	2.3
77.03939	0.7
79.05499	9.3
81.07067	1.0
86.48357	0.6
91.01386	0.7
91.05487	18.7
93.07050	36.8
94.07372	0.7
95.04950	1.5
98.21508	0.9
105.04522	0.8
105.07034	8.7
106.04224	0.8
107.04955	1.2
107.08602	100.0
108.08934	1.3
109.06552	3.3
110.91170	0.7
116.07140	0.6
117.07057	0.9
119.06089	3.1
119.08585	5.5
120.09382	1.0
135.08076	1.9
135.11699	20.0
152.55344	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03946	6.0
55.01873	3.0
55.05515	10.6
67.05508	48.4
69.07069	8.0
71.15278	1.2
71.53203	1.2
71.53661	1.2
78.41716	1.3
79.05497	63.4
81.03392	1.2
81.07059	30.0
86.07291	1.4
91.05482	25.1
93.07048	100.0
94.07830	1.3
95.04955	4.9
99.39182	1.2
105.04506	2.1
105.07037	6.0
107.04955	4.5
107.08598	61.2
109.06536	2.1
117.07068	2.1
119.03541	2.5
119.08601	7.0
129.95572	1.2
135.04422	6.8
135.05452	2.7
135.06538	1.5
135.08096	11.4
135.11694	85.3
136.02161	16.8
136.06192	26.8
136.07571	2.5
137.04636	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	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03943	3.6
55.01880	16.3
55.05482	1.8
65.03941	6.5
67.05493	7.2
69.03442	15.9
69.41808	1.7
69.42119	13.1
79.05500	60.5
81.03394	1.5
81.07043	2.1
91.05486	100.0
92.06261	2.3
93.07050	17.5
95.04977	6.5
105.07034	30.4
107.04952	5.5
107.08598	84.9
109.06527	13.4
115.05463	33.1
117.07035	32.3
119.06084	12.2
119.08572	1.9
120.05718	3.0
135.04453	5.8
135.05434	1.8
135.08063	72.9
135.11690	10.0
136.02197	10.2
136.06189	20.6
137.04555	1.7
148.23483	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	135.0807
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
51.01802	1.6
53.03943	6.5
53.95042	1.5
55.01875	11.6
55.05508	3.4
57.35051	1.7
65.03933	7.9
67.05511	9.3
69.03433	14.9
69.07092	2.2
71.10594	3.4
72.06577	1.4
74.79254	1.5
79.05498	70.5
81.07059	5.6
91.05490	100.0
92.06303	2.0
93.07050	52.8
95.04971	12.6
103.22849	1.7
105.04503	3.1
105.07038	36.9
107.04971	14.7
107.08604	83.7
109.06537	12.2
109.98155	1.8
115.05468	24.5
117.07023	23.9
119.03557	2.1
119.06103	11.2
119.08517	4.3
120.05784	2.3
135.04431	15.7
135.05530	4.7
135.08066	72.9
135.11700	26.9
136.02173	24.1
136.03891	2.0
136.06186	38.1
136.07483	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	134.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94028	2.3
55.01866	4.4
55.27132	2.4
56.96567	19.3
57.03439	58.2
58.03773	3.3
58.99868	4.5
61.02925	4.6
68.02650	4.5
68.98273	4.4
69.03427	12.5
69.21331	6.0
69.21739	22.0
70.99849	5.7
72.52959	10.5
73.02911	29.2
77.52182	9.9
78.52964	13.8
79.02154	5.6
81.03403	6.2
81.53475	3.4
82.01439	26.5
82.99835	9.2
83.01488	4.5
84.52961	8.7
85.02904	10.7
85.53757	5.4
86.52698	42.4
86.99328	3.8
87.01904	2.9
87.02747	6.5
88.02695	27.6
89.00904	4.6
90.52943	7.4
92.52702	7.7
93.01880	15.6
93.53485	7.0
95.53216	11.7
97.01359	5.1
97.02852	3.2
98.52676	4.2
98.97581	6.2
99.53472	9.8
100.02483	39.8
101.00883	63.9
101.02552	8.3
102.00958	8.4
102.02399	23.7
103.00648	4.7
103.02438	4.7
104.52690	6.4
110.54480	5.9
111.02930	25.8
111.53487	3.7
113.00865	14.6
113.53196	7.1
115.02419	11.1
118.03541	13.7
119.01928	87.1
119.97319	4.7
120.02039	15.1
121.01616	6.7
122.53706	9.8
123.03780	4.5
124.02446	32.7
125.02575	3.3
127.03912	2.9
128.01910	4.0
128.97803	3.6
131.01927	29.5
133.03458	6.7
134.06049	4.0
137.02954	6.7
141.02690	3.7
142.03505	100.0
143.01901	17.6
143.03581	16.0
144.02133	3.2
144.03271	6.4
145.03462	5.8
147.01396	5.0
147.05045	5.3
154.03479	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	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02381	0.6
55.05518	3.7
67.05510	2.0
69.75368	2.8
70.06587	1.6
79.05504	3.5
81.05866	0.6
85.26980	0.5
88.02206	1.8
91.05486	34.7
92.05824	0.7
93.07047	1.7
103.05463	1.3
105.07037	100.0
106.01784	0.6
106.07382	1.2
115.05436	1.1
117.07016	1.0
118.07860	0.6
131.08569	4.4
133.02800	0.7
133.06502	2.1
133.07535	1.1
133.10139	40.6
134.10435	0.7
141.83511	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.5
53.03941	1.5
55.01875	2.9
55.05518	2.3
65.03978	0.4
67.05488	0.6
69.03422	0.4
70.06581	1.1
71.01395	0.4
72.05302	0.3
73.02905	0.6
73.06547	3.1
74.02451	2.7
77.03928	0.6
79.05493	11.0
87.05598	1.2
88.02221	0.6
91.05484	12.5
93.07063	1.8
95.04967	1.7
97.02882	0.8
98.29393	0.3
103.05471	7.2
105.03425	0.9
105.07030	100.0
106.07367	1.0
107.04966	0.4
107.08628	0.5
115.05463	4.0
116.03490	0.4
116.06231	0.6
117.07031	1.8
118.07805	2.1
120.73380	0.3
129.07027	0.3
131.04939	1.0
131.08566	2.8
133.06494	81.7
133.10129	36.3
134.06880	0.9
134.10378	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0446
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
51.02378	0.6
53.03957	2.8
58.95657	0.3
69.07061	0.3
69.88255	0.5
69.88672	1.1
70.06572	0.5
72.08157	0.4
73.47849	0.3
77.03937	1.6
77.47375	0.3
79.79010	0.2
85.66396	0.3
85.72585	0.3
86.06061	0.9
86.09706	2.2
86.10167	0.3
90.90392	0.3
95.04979	2.7
96.04492	0.6
102.07745	0.3
104.05000	50.9
105.03402	1.2
105.04536	1.6
105.05248	0.4
105.07030	0.9
123.43552	0.4
132.04462	100.0
133.04808	1.2
133.06482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
53.03958	2.8
53.16061	0.2
53.95684	0.2
69.18719	2.5
70.06591	0.3
72.08157	0.5
77.03947	1.1
81.03420	0.4
86.09716	2.9
90.67358	0.2
91.05493	0.4
95.04981	2.8
96.04480	0.8
104.05002	46.8
105.03413	1.0
105.04534	1.4
105.05271	0.5
105.07026	1.1
132.04465	100.0
133.04848	1.1
133.06448	0.6
133.10132	0.5
150.37106	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
67.42013	0.4
69.07072	1.8
70.26074	1.0
70.26405	0.6
72.08147	0.4
72.60153	0.4
86.09710	100.0
87.10040	0.5
98.20781	0.5
132.10226	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	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
50.54368	0.4
53.03949	1.9
53.15736	0.4
55.01876	2.7
55.05511	3.4
67.05491	0.5
70.06574	0.5
70.17382	0.4
71.01367	0.4
71.43420	0.4
71.52562	0.7
73.06561	3.7
73.90915	0.4
74.02450	2.9
75.19463	0.3
77.03947	1.2
79.05502	10.4
87.05627	1.1
88.02225	0.5
91.05494	12.3
93.07050	1.7
95.04977	1.4
96.95952	0.4
97.02913	0.4
103.05475	7.6
105.07040	100.0
106.07362	1.0
107.04951	0.9
115.05458	4.5
116.03472	0.6
117.07054	2.1
118.07817	1.9
131.04951	1.3
131.08585	2.9
133.06506	83.4
133.10138	38.5
134.06866	1.0
135.09349	0.4
147.28708	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.3
51.02386	0.6
51.08668	0.3
51.41031	0.2
53.03953	3.0
57.03440	0.4
59.05001	0.4
65.03952	0.3
67.05495	0.6
69.03432	0.4
69.70776	0.3
70.33923	0.9
71.04987	0.6
77.03944	1.0
80.17016	0.3
81.03445	0.3
84.08143	0.3
85.08487	0.7
89.91520	0.3
91.05490	36.9
92.05856	0.4
95.04976	2.0
99.28921	0.3
102.04690	0.7
103.05476	100.0
104.05801	1.8
105.04505	1.4
105.07078	0.3
113.02396	0.4
113.07275	0.4
113.07954	3.0
113.09696	0.3
115.05472	3.2
116.06250	11.4
116.22570	0.3
118.49828	0.3
121.29166	0.3
128.06210	0.5
129.06046	0.5
129.07014	8.6
131.04939	16.5
131.08575	63.5
132.08911	0.6
143.06105	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14314	0.3
53.03944	1.7
57.03438	0.6
64.75480	0.4
65.81889	0.4
67.05503	0.5
69.03440	0.6
70.03769	0.8
71.41192	0.6
72.08154	0.5
77.03912	0.6
84.08147	0.6
85.02920	0.7
85.04842	0.8
85.08480	2.8
86.09701	0.6
91.05488	60.0
92.05796	0.7
95.04992	1.2
101.49786	0.4
102.04665	0.4
103.05476	42.9
104.05829	0.6
105.04501	0.7
105.07024	0.7
113.02351	0.4
113.07205	0.5
113.07948	5.9
115.05461	4.4
115.33861	0.3
116.06248	18.1
128.06271	0.8
129.07018	13.5
131.04941	8.9
131.08574	100.0
132.08925	1.3
133.06493	0.5
143.06020	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02402	0.3
53.03944	3.5
57.03439	0.5
69.03422	0.7
70.03769	0.9
70.69597	0.5
70.69940	0.4
72.08148	0.3
77.03914	1.1
84.08133	0.5
85.04816	0.5
85.08461	1.6
91.05479	6.9
95.04972	2.9
102.04674	1.0
103.05470	100.0
104.05824	1.1
105.04543	1.3
113.02386	0.4
113.07953	4.1
116.06227	1.4
119.71626	0.3
129.06993	1.2
131.04932	22.6
131.06908	1.0
131.08543	8.5
132.05237	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
53.03740	0.3
53.03954	3.0
55.01875	0.3
61.47495	0.2
67.56543	0.2
71.26650	0.4
77.03935	0.9
81.03429	0.3
85.08447	0.5
91.05486	2.2
95.04967	2.3
96.60738	0.2
102.04680	1.0
103.05472	100.0
104.05789	0.9
105.04518	0.9
108.03354	0.2
109.01901	0.2
113.07934	0.6
116.06238	0.6
129.06978	0.3
131.04933	15.6
131.08543	3.0
138.04262	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	129.0912
Annotation	4-Penten-1-yl acetate
Peak:m/z	Relative Intensity
55.05508	8.2
57.07073	2.3
59.05008	16.5
59.25364	2.0
63.88643	2.1
67.05518	16.2
69.03437	10.7
69.07073	100.0
71.08236	4.3
72.08137	3.3
76.29377	2.2
79.05502	4.2
83.01335	2.4
83.04994	2.8
84.04510	7.8
84.08143	13.6
85.06558	8.5
97.06573	2.6
104.46569	1.9
111.08106	2.8
112.07619	26.7
112.11240	2.4
129.01860	18.4
129.04515	2.5
129.05524	4.4
130.06519	6.3
130.08670	10.6
130.15913	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	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.5
53.03949	2.7
55.05508	0.6
55.94574	0.2
57.03435	1.1
59.05017	0.4
67.05496	0.7
67.32075	0.2
69.03428	0.5
69.18503	0.3
69.18812	2.5
70.03770	0.6
71.05003	0.5
72.08173	0.4
73.02903	0.3
77.03928	0.8
82.09367	0.2
83.05008	0.3
84.08121	0.5
85.02907	0.4
85.04829	0.4
85.08481	1.3
85.40749	0.3
86.09694	0.3
87.28510	0.2
91.05493	1.5
95.04966	2.8
95.08611	0.7
98.20641	0.3
102.04685	0.7
103.05473	100.0
104.05780	1.4
104.18400	0.2
105.04526	1.1
113.02383	0.5
113.05981	0.3
113.07259	0.5
113.07952	3.1
113.82401	0.3
115.05493	0.3
116.06243	0.3
131.04938	15.1
131.05951	0.7
131.06924	1.3
131.08456	2.3
132.04405	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01622	0.2
50.78171	0.2
51.02372	0.4
53.03945	3.0
57.03444	0.5
57.07105	0.2
61.95468	0.2
65.03934	0.4
66.45042	0.2
67.05508	0.5
68.31952	0.2
69.59924	1.2
70.03777	0.6
77.03937	1.0
85.04851	0.4
85.08494	0.8
91.05486	45.7
92.05820	0.3
93.45557	0.2
95.04967	2.2
98.21517	0.5
102.04681	1.0
103.05472	100.0
104.05818	0.7
104.08157	0.2
105.04501	1.3
105.07094	0.3
109.76048	0.2
113.07949	2.4
115.05467	3.3
115.92469	0.3
116.06245	15.8
126.41521	0.2
128.06209	0.6
129.07007	9.4
131.04938	15.5
131.08569	80.1
131.16241	0.2
132.08902	0.8
133.06454	0.4
143.06071	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.112
Annotation	Sulcatone
Peak:m/z	Relative Intensity
53.03951	12.8
55.01877	7.3
55.02104	1.4
55.05503	5.2
56.64529	1.4
57.03445	7.3
61.13816	1.0
67.05509	17.7
69.03450	5.5
69.07072	18.8
69.73473	6.8
71.01363	3.8
71.04996	18.5
79.05497	2.2
81.03423	37.3
81.07060	8.7
82.06558	2.4
83.08611	4.5
84.08175	1.3
85.02914	1.6
85.06546	2.3
97.02898	4.2
99.04453	9.7
103.81595	1.1
109.02881	33.5
109.03597	2.2
109.06494	2.0
109.08474	1.1
109.10165	31.2
110.06017	1.8
110.10444	1.1
127.03924	100.0
127.07507	2.8
127.09468	2.7
127.11172	6.0
128.04248	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	125.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83329	0.5
55.05515	19.9
57.07080	4.8
59.40797	0.6
66.28111	0.6
67.05521	1.3
69.07075	100.0
69.25725	5.3
83.06117	0.8
83.08626	20.8
106.88224	0.5
108.04517	1.4
125.04359	0.7
125.06065	0.7
125.07156	1.8
125.08302	2.4
125.09093	8.0
125.10781	1.2
126.05564	1.2
126.06691	0.5
126.09187	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0389
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
50.46810	0.3
53.03944	2.3
55.01864	1.1
58.18187	0.3
61.89765	0.3
64.85331	0.3
65.47112	0.3
66.67232	0.3
67.05508	0.4
68.99801	0.3
69.03426	0.3
71.01326	0.4
71.04993	0.8
71.44955	0.3
71.96436	0.3
81.03431	4.4
91.53448	0.3
99.04467	0.6
99.44633	0.3
109.02876	5.3
111.08298	0.4
111.71944	0.3
127.03925	100.0
128.04260	0.6
136.14909	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28149	0.3
56.96567	1.3
67.11880	0.3
70.02634	0.6
70.03024	0.6
70.99858	0.4
82.01446	0.9
82.99850	6.8
83.01511	2.1
84.01184	0.4
87.91002	0.3
92.02502	0.3
96.04505	0.5
97.16460	0.3
100.02483	1.7
101.00889	52.6
101.02559	4.8
102.00993	0.6
102.02251	1.0
106.06574	0.4
110.01310	0.3
118.03533	0.4
119.01928	100.0
120.01956	1.6
121.01613	0.3
121.02406	0.4
122.89614	0.3
124.02459	1.2
124.03957	2.8
124.07619	0.9
137.02963	15.8
142.03506	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	124.076
Annotation	1beta-methylcarbapenem
Peak:m/z	Relative Intensity
53.03942	3.1
54.03468	0.6
54.45475	0.7
55.01871	0.8
55.05519	3.9
59.12159	0.6
67.05497	1.5
68.05037	5.0
69.03397	0.7
69.07065	2.1
70.06554	0.7
70.65894	1.4
71.01337	0.8
78.03453	2.6
79.05495	32.3
80.05018	16.6
81.05410	1.5
81.05801	33.9
81.07064	10.9
82.02930	2.1
82.06577	3.1
82.07350	1.3
92.62843	0.6
94.02911	1.0
94.06557	5.5
95.04964	2.4
96.04497	23.0
96.05283	2.2
96.08134	52.2
97.02901	3.5
97.04806	0.8
97.06522	0.8
97.43193	0.7
101.00887	3.8
101.02566	1.5
106.06561	25.4
107.04948	1.3
108.58181	0.6
109.05296	1.1
112.03975	9.7
119.01935	13.0
119.03601	1.6
124.03962	100.0
124.05938	6.4
124.07591	85.3
124.08329	2.1
125.02347	1.5
125.04294	1.0
125.05994	1.1
125.07084	0.8
125.07929	1.3
137.02986	3.7
140.03439	6.8
142.03481	1.0
143.29794	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.076
Annotation	2-Amino-5-methylphenol
Peak:m/z	Relative Intensity
53.03936	1.5
53.43775	0.5
55.01870	1.2
55.05495	1.8
56.05025	1.0
56.96562	1.8
65.42663	0.5
67.05509	1.8
68.05022	1.5
69.03434	1.7
69.07092	0.9
70.47980	1.1
78.03455	2.6
79.05493	29.7
80.05018	10.4
80.05771	0.7
81.05380	1.1
81.05796	2.9
81.07047	2.2
82.02940	8.1
82.06592	0.9
82.99829	0.9
83.01501	0.8
83.06111	0.6
94.02947	0.7
94.06579	1.2
95.04977	2.8
95.07398	0.8
96.04497	16.3
96.05292	2.1
96.07555	0.9
96.08125	7.6
96.08824	0.8
97.02883	2.0
97.06522	1.1
101.00878	9.0
101.02567	2.1
101.91142	0.5
102.02160	0.6
106.06555	62.3
112.03965	7.6
117.10253	0.6
118.43086	0.6
119.01918	32.5
120.02029	0.6
124.02190	1.7
124.03959	78.7
124.05908	4.8
124.07591	100.0
125.02401	0.9
125.04301	0.9
125.06037	1.3
125.07100	1.6
125.07938	0.8
125.10771	0.8
132.44963	0.5
137.02963	7.7
140.03410	4.1
142.03513	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	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01851	1.4
55.05512	4.6
56.96559	0.8
57.07066	2.4
65.01517	0.7
65.03928	1.5
67.05512	21.8
69.07063	1.8
71.53107	1.0
78.03446	1.7
79.01866	1.4
79.05495	12.5
79.05927	1.4
80.05025	28.3
81.07063	91.6
82.01450	4.2
92.07666	0.7
93.07037	2.0
95.04975	16.9
95.06032	1.0
95.08609	10.5
96.04494	10.4
99.59122	0.7
100.01859	1.2
100.02489	14.8
101.02551	1.0
105.06995	1.0
106.02914	1.2
106.06586	1.0
106.79539	0.7
107.34490	0.8
108.05733	0.9
112.03930	1.0
116.48835	0.8
118.03527	6.9
121.10062	0.7
121.62036	0.7
123.04467	12.0
123.05559	100.0
123.08074	13.1
123.09155	2.1
123.10042	1.3
123.11715	20.2
124.03964	18.9
124.07580	1.6
140.03407	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48717	0.6
53.01419	0.7
53.03953	3.1
55.01880	1.3
55.05514	4.5
57.07083	3.3
65.03948	2.7
67.05512	26.2
69.07076	1.8
69.99555	2.8
72.55451	0.7
78.03426	0.9
79.05502	14.5
80.05033	9.6
81.03436	1.1
81.07064	100.0
81.66901	0.7
82.01453	0.9
93.07043	2.0
95.04980	15.8
95.08618	13.5
96.04507	2.9
100.02496	3.1
104.35529	0.8
105.06991	1.1
118.03567	1.1
121.10199	1.0
123.04450	36.0
123.05563	31.6
123.08057	8.4
123.08906	1.0
123.10821	1.5
123.11715	24.4
124.03960	7.0
141.77545	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.0
55.01868	1.5
55.05521	6.0
56.88985	0.8
57.07076	4.3
65.03948	1.8
67.05508	28.0
68.04989	0.9
69.07056	2.4
69.26023	7.3
71.03439	0.8
78.03479	2.2
79.05499	14.3
80.05016	20.9
81.03423	1.3
81.07061	100.0
82.01447	2.9
93.07053	4.9
94.07834	2.1
95.04362	1.7
95.04971	23.6
95.08607	33.7
96.04494	8.4
98.21548	1.9
100.02483	8.4
105.04529	1.0
105.07032	2.5
106.02886	1.4
108.05750	6.1
112.03954	1.1
118.03522	4.0
121.10192	1.0
123.04454	14.7
123.05555	79.4
123.08072	31.5
123.09117	1.5
123.11705	31.0
124.03961	14.6
124.05894	0.9
124.07595	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.7
53.03956	8.1
55.01863	1.2
55.05515	4.6
55.26194	0.7
56.42770	0.7
57.07084	5.3
60.43741	0.8
65.03933	1.1
67.05510	21.1
69.07067	2.8
69.18183	5.1
69.18618	3.0
75.09087	0.7
77.03930	3.2
78.03470	1.1
79.05065	1.1
79.05502	13.6
80.05025	15.8
81.07063	100.0
82.01460	3.8
93.07054	2.2
95.04977	53.3
95.08613	19.2
96.04501	6.3
98.21544	1.8
100.02494	7.7
105.03403	2.9
105.04521	3.2
106.02904	1.1
108.05716	0.8
108.09406	0.9
118.03519	3.2
119.01981	0.8
123.04443	45.6
123.05558	54.8
123.08057	12.5
123.11713	37.9
124.03959	11.7
124.07587	0.9
129.67795	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	Tropolone
Peak:m/z	Relative Intensity
53.03947	3.0
55.01875	4.5
55.05497	0.7
56.12563	0.7
64.30029	0.6
65.03957	3.5
67.05511	26.7
68.30872	0.5
68.99775	1.0
71.07874	1.3
77.03945	0.7
78.03471	0.9
79.05517	2.8
80.05022	7.2
81.03423	0.8
81.07059	9.8
82.01458	1.3
95.04977	33.8
95.08601	2.4
96.04501	3.2
100.02502	3.3
102.18762	0.6
106.02927	1.2
118.03495	1.1
123.04434	100.0
123.05539	31.3
123.08066	5.5
123.09133	1.0
123.11677	3.1
124.03983	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	123.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.8
53.03947	5.2
55.01863	1.6
55.05514	0.6
56.96301	0.6
56.96572	11.0
57.03431	1.2
58.06596	1.0
58.99870	0.7
64.74499	0.5
65.03931	1.7
67.05235	0.6
67.05515	7.2
69.03440	1.1
70.06584	1.6
70.15845	0.9
70.16239	1.3
72.08164	0.9
75.01065	0.6
77.00806	0.8
78.03455	2.1
78.06316	1.1
79.05488	4.5
80.05025	24.7
81.03429	1.6
81.07059	6.3
82.01452	11.8
83.00774	1.1
83.04974	0.7
84.01561	0.6
84.08161	2.0
85.02905	0.6
86.51838	0.5
90.01553	0.9
91.00512	1.6
91.20744	0.6
92.01267	1.2
95.04978	31.7
95.08608	2.4
96.04510	8.9
96.08147	0.9
97.02896	0.5
98.01303	0.8
98.97568	3.1
100.00019	2.2
100.02492	38.5
101.00847	2.8
102.53056	0.7
103.02294	0.7
105.03401	1.4
105.04514	2.1
106.02904	2.1
108.51313	0.9
109.00504	2.0
109.50639	0.7
111.02929	0.8
111.21954	0.6
112.01072	0.9
112.02859	1.6
112.04014	0.6
112.07569	0.6
112.99161	0.6
114.58371	0.5
116.98659	1.2
117.10250	0.7
118.01064	1.1
118.03535	15.8
118.60493	0.5
119.01134	1.1
119.01923	10.6
120.02599	0.6
121.01530	1.1
123.04460	15.6
123.05560	100.0
123.08021	5.2
123.09167	1.4
123.09964	3.3
123.11671	1.6
124.03958	10.0
124.07593	1.0
137.02951	1.6
142.03462	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	Tropolone
Peak:m/z	Relative Intensity
53.03946	2.2
55.01875	4.4
55.05507	0.5
65.03941	3.6
67.05509	26.3
68.99783	1.5
69.87865	1.2
77.03909	0.4
79.01874	0.5
79.05498	2.3
79.09988	0.3
80.05022	6.6
81.03404	0.9
81.07062	10.2
82.01457	0.9
95.04976	30.0
95.08633	1.8
96.04527	1.7
100.02478	3.0
105.04537	0.9
118.03519	1.5
123.04426	100.0
123.05523	21.7
123.08053	2.8
123.11699	1.9
124.03970	2.9
124.04745	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	4.4
57.03437	2.1
58.99860	1.6
61.02909	2.0
67.43436	1.0
69.03417	2.1
69.65332	2.8
69.65752	3.9
70.99822	1.0
71.85155	1.2
78.52943	1.5
80.05001	2.7
81.03429	1.8
82.01447	48.9
90.01542	1.1
95.04966	1.0
97.02885	1.2
98.20885	2.0
98.97550	3.4
100.02485	100.0
101.00879	5.9
103.02312	1.2
103.33400	1.1
112.02863	1.0
118.03529	25.9
118.58078	1.1
119.01921	8.2
123.05555	7.2
140.36667	1.0
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
50.37649	0.7
64.23086	0.7
65.58705	0.7
70.71947	0.9
70.72293	1.9
82.01447	54.4
87.44510	0.7
100.02485	100.0
101.00892	6.6
102.02943	0.8
118.03534	25.6
119.01926	10.9
123.04055	0.8
137.02957	2.0
141.61107	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
53.62270	0.7
55.01868	1.6
56.13305	0.7
56.96560	2.6
57.03447	1.5
58.99860	1.6
67.05489	0.8
69.03430	0.9
70.50153	1.9
70.50490	1.0
73.02929	1.7
78.03451	1.6
78.52954	1.8
80.05022	18.9
81.07041	1.2
82.01450	50.8
85.02930	1.6
88.02682	1.3
91.76552	0.9
92.52736	1.0
93.01891	1.3
95.04323	0.9
95.04974	2.7
96.04494	4.9
97.02927	1.4
100.02489	100.0
101.00895	11.5
101.02568	2.3
106.02890	1.0
111.02904	1.5
115.02453	0.9
118.01161	0.8
118.02686	0.9
118.03532	25.9
119.01935	19.1
123.05559	73.5
124.02492	1.0
124.03942	1.9
131.01921	2.7
137.02979	4.3
142.03519	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02377	1.3
53.03950	11.6
55.05522	6.9
59.32206	1.0
64.91447	1.1
65.03928	2.3
67.05508	3.9
69.48048	1.6
69.48451	6.0
77.03927	3.2
79.05500	55.2
79.05971	2.8
79.75873	1.2
81.03416	1.1
81.07069	2.5
86.84084	1.0
91.05492	38.0
93.07053	98.5
95.04986	11.9
103.05478	20.7
105.04555	6.5
105.07041	94.8
106.07851	6.3
119.08585	17.1
120.05772	1.4
121.02892	2.5
121.04025	3.0
121.06520	17.9
121.10158	100.0
122.06030	2.0
123.08095	8.6
132.03545	1.1
133.07619	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.50156	0.9
53.03950	11.4
55.05519	5.0
61.76895	0.9
65.00637	1.2
65.03953	2.4
66.44313	0.9
67.05511	2.8
71.37632	1.4
71.37954	1.6
77.03923	3.3
79.05499	52.3
80.06263	1.0
81.03436	1.4
81.07071	2.8
91.05485	34.7
93.07047	90.5
95.04962	11.6
96.04422	0.9
103.05473	17.8
105.04525	5.0
105.07037	100.0
106.07859	7.4
111.36501	0.9
119.08582	16.0
120.05741	1.0
121.02881	4.4
121.03979	1.8
121.06525	12.4
121.10154	98.8
123.08073	10.5
133.07608	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	120.0447
Annotation	4-Hydroxybenzonitrile
Peak:m/z	Relative Intensity
50.48352	0.3
56.05038	0.5
59.51406	0.4
65.03944	30.0
65.98224	0.3
66.55649	0.4
69.96739	0.8
69.97137	0.9
74.06091	0.8
78.39680	0.3
78.67337	0.4
91.05492	0.4
92.05009	100.0
93.05314	0.5
93.07031	0.4
103.05474	1.5
110.06041	2.3
120.04472	75.9
120.08101	3.4
120.08926	0.6
120.86752	0.4
121.04819	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
61.16044	0.5
70.01193	2.1
74.06060	0.6
77.03918	0.8
79.05518	0.6
91.05489	5.5
91.27150	0.4
93.05805	0.5
93.07055	11.4
95.04962	1.0
95.41981	0.4
95.81627	0.4
102.04662	0.5
103.05479	52.9
105.04508	0.7
105.38896	0.5
110.50039	0.5
118.06532	1.1
119.07335	0.7
120.08117	100.0
121.08452	1.1
127.86095	0.5
132.18030	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03951	1.4
58.65897	0.6
58.85057	0.6
65.03950	1.6
71.53761	1.1
78.24947	0.5
79.05507	5.2
79.10455	0.6
82.42594	0.5
88.67162	0.6
91.05489	100.0
93.07039	2.9
95.04988	1.3
96.05342	0.6
103.05482	6.1
104.06268	5.8
105.04532	0.6
109.06498	0.8
115.05495	2.8
117.07027	18.0
119.04932	1.0
119.06102	1.8
119.06860	2.3
119.08590	58.7
131.05983	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06887	3.0
56.96570	35.8
57.03427	3.7
57.23238	2.8
60.95134	3.2
60.95860	6.0
60.99603	3.9
65.03944	5.4
67.51055	3.9
68.21081	3.2
69.03437	24.9
69.79229	16.0
70.03760	3.6
70.25764	3.1
72.52990	3.2
76.51576	4.5
78.93105	6.2
81.03427	6.6
82.01447	13.4
83.01516	4.9
84.01196	10.7
85.53745	3.7
86.03751	3.7
86.52703	5.6
91.05482	7.3
92.05003	8.8
92.05766	5.7
93.07063	4.9
93.53426	3.7
96.53087	3.2
96.94158	5.4
97.02187	3.5
99.53398	3.4
100.02492	39.2
101.00910	6.2
101.02561	21.4
102.00945	25.5
102.02246	43.8
102.96880	4.4
103.00604	5.7
103.02390	5.1
103.25812	3.4
103.73876	3.2
106.02663	10.3
108.53080	4.6
111.04431	4.8
115.02422	3.4
117.05655	5.2
118.03513	13.9
119.01942	9.4
119.03601	8.4
120.02013	100.0
120.03183	18.2
120.04491	9.9
120.05586	21.9
120.08105	10.0
121.01665	13.6
123.03252	3.5
127.83139	2.9
131.01912	5.5
133.03511	3.5
135.03209	3.6
138.03052	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	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03949	2.2
65.03951	2.8
69.63669	1.3
69.64071	1.7
72.93869	0.5
75.21501	0.5
77.03930	0.6
78.04697	0.7
79.05496	4.6
91.05486	70.0
93.07058	3.7
95.04985	1.2
96.05256	0.5
98.70699	0.6
103.05465	6.9
104.06258	6.8
105.04559	0.6
109.06470	0.7
115.05484	2.8
117.07025	15.8
119.04971	5.4
119.06099	1.3
119.06879	2.7
119.08588	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03944	1.5
65.03943	2.2
67.05516	0.6
69.39861	2.6
74.06107	0.4
78.04753	0.4
79.05506	6.6
81.75458	0.3
90.24762	0.3
91.05488	100.0
92.05807	0.7
93.07055	3.1
95.04988	1.5
98.20724	0.7
103.05477	7.9
104.06255	5.7
105.04520	0.9
109.06512	1.1
115.05476	3.3
117.07028	23.2
119.04958	1.1
119.06182	2.6
119.08588	69.5
120.05636	0.4
120.08897	0.4
121.06573	0.4
127.00260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03945	1.8
56.50787	0.6
58.02393	0.5
65.03932	1.2
69.49242	3.7
79.05495	4.8
85.21646	0.7
88.48771	0.5
91.05486	67.1
93.07045	3.7
94.26791	0.5
95.04971	1.5
96.05332	0.8
98.20786	1.3
103.05469	7.2
104.06264	7.3
105.04528	1.2
109.06480	0.7
115.05490	3.5
117.07022	15.0
119.04943	2.6
119.06075	2.7
119.08588	100.0
124.21678	0.7
139.25294	0.6
139.61340	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.4
53.03943	1.9
61.84241	0.4
65.03939	1.5
65.71507	0.4
69.37520	1.1
69.37933	2.2
79.05493	7.1
90.06323	0.4
91.05482	100.0
92.05818	1.1
93.07043	4.0
95.04974	1.4
96.04459	0.6
98.21613	0.4
103.05460	6.8
104.06247	6.6
105.04511	0.6
108.21945	0.4
109.06561	0.6
115.05466	3.3
117.07021	23.9
119.05047	0.9
119.06087	2.3
119.08582	69.9
120.08896	0.7
121.06517	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.26094	0.5
53.03942	0.8
65.03947	10.0
69.33853	0.5
71.52761	0.5
74.06071	0.5
74.97330	0.5
79.05492	0.7
85.88932	0.5
91.05487	100.0
92.05827	0.8
95.04963	0.5
103.05486	1.0
117.07021	2.5
119.04949	41.8
119.05999	2.0
119.06794	1.2
119.08582	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	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
50.58113	0.4
53.03949	0.7
53.50139	0.4
53.99886	0.4
54.04292	0.4
57.03437	0.4
61.24643	0.4
64.05457	0.3
65.03947	9.9
67.98168	0.4
69.77798	2.0
71.49942	0.3
72.08185	0.4
75.02363	0.4
79.05495	1.9
91.05485	100.0
92.05000	0.4
92.05804	0.9
93.07050	1.3
95.04973	0.9
96.88613	0.4
103.05459	2.3
104.06246	1.5
115.05464	0.6
117.07024	4.7
117.12431	0.4
119.04949	37.1
119.05988	1.3
119.06792	1.2
119.08583	28.5
120.04554	0.4
120.05516	0.6
120.08115	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
51.02374	3.7
51.79279	1.7
53.03707	3.1
53.03948	52.3
53.86668	1.7
53.93012	1.5
55.01862	2.0
55.05502	5.4
58.06604	3.5
59.07383	3.0
70.06605	2.6
71.54113	3.1
72.08160	36.0
76.93374	3.3
77.03925	7.1
77.78491	1.7
79.05500	2.5
80.77361	1.7
81.03420	4.2
84.48836	1.6
87.04472	3.0
91.05485	31.6
95.04984	38.6
100.07605	2.8
100.11265	1.9
105.04529	22.1
116.05823	2.9
117.07033	4.5
118.06555	100.0
118.07336	5.8
118.08647	15.2
118.12341	2.0
119.08622	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	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
51.02372	2.9
53.03952	45.6
55.01865	1.8
55.05499	5.2
58.06598	8.5
59.07384	8.7
64.69211	1.4
69.03407	1.7
69.87820	6.2
70.06588	3.4
72.08163	40.5
75.99194	1.7
77.03925	6.1
78.19643	1.4
81.03406	4.5
87.04469	4.1
88.20306	1.5
91.05496	7.3
95.03101	1.5
95.04979	36.8
105.04519	21.9
116.05799	1.9
118.06551	100.0
118.08659	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	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83770	3.0
59.82158	2.0
67.05492	2.5
69.03441	11.7
70.07348	8.4
82.01439	9.4
82.99851	4.4
84.01212	2.7
85.01418	2.5
87.35424	2.0
91.05486	34.3
98.21449	2.3
100.02486	19.2
101.00889	38.7
101.02586	5.3
102.02244	3.0
103.02451	2.5
107.05268	3.2
107.53196	2.7
116.05791	5.3
118.03532	5.5
119.01931	100.0
119.06107	3.3
119.08584	9.3
121.71176	2.3
137.02974	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	116.071
Annotation	D-Proline
Peak:m/z	Relative Intensity
55.01862	0.2
55.35554	0.1
56.05065	0.2
56.96561	0.3
58.06601	0.2
60.71386	0.2
65.70916	0.1
68.05041	0.3
69.03425	0.2
70.06596	100.0
70.35931	0.6
71.06918	0.4
72.18891	0.2
74.02441	0.8
74.47461	0.2
79.02837	0.2
81.03442	0.2
88.07629	0.3
97.59815	0.1
98.06072	0.3
98.21403	0.2
116.07100	16.5
116.10741	1.7
125.34782	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02382	4.1
53.03946	44.0
53.60892	1.0
55.01860	2.6
55.05505	6.4
56.91035	1.2
57.80196	1.2
58.06602	2.5
58.21566	1.1
59.07379	1.7
68.47879	1.3
70.06593	2.4
71.26208	2.0
72.04536	1.4
72.08155	36.9
76.32030	1.3
76.93362	4.3
77.03935	7.0
81.03412	4.4
84.32898	1.2
87.04459	1.5
91.05476	20.5
95.01672	1.5
95.04971	34.7
100.07612	2.1
103.05484	1.6
105.04517	18.3
115.05392	1.2
117.07007	4.3
118.06545	100.0
118.08651	10.8
119.04961	1.3
119.08577	14.2
125.97851	1.1
135.51581	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0758
Annotation	cis-3-Hexenoic acid
Peak:m/z	Relative Intensity
50.83529	0.5
53.00299	0.5
53.03940	2.8
55.01876	9.9
55.05521	7.5
56.12569	0.6
56.96563	0.6
57.03444	9.5
57.85999	0.5
58.06609	0.7
59.05003	12.2
63.42615	0.5
66.18463	0.6
67.05512	4.7
69.03435	6.7
69.07074	100.0
70.06597	38.4
70.11941	2.3
71.04993	1.7
72.93789	1.8
73.02924	1.5
73.06561	22.4
73.93852	1.9
74.93827	2.8
79.05502	16.0
80.01070	0.6
80.05843	0.6
83.01355	5.3
85.02915	1.4
87.00842	1.7
87.04474	12.2
87.21163	0.6
97.02921	1.7
97.06541	54.5
97.54412	0.5
115.03933	14.8
115.05312	1.0
115.07567	9.4
115.08772	1.2
115.09511	8.4
115.71408	0.6
116.07091	6.5
125.96754	0.5
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	Unknow
Peak:m/z	Relative Intensity
55.01879	0.3
56.05040	0.2
56.96568	0.2
58.06602	0.4
61.59445	0.1
65.43475	0.1
68.05043	0.3
70.06595	100.0
70.95934	0.2
70.96266	0.2
71.06931	0.4
72.08147	0.1
74.02448	0.8
81.41918	0.1
88.07641	0.5
98.06064	0.5
98.09705	0.2
102.02249	0.2
116.07096	16.3
116.10735	8.3
125.81374	0.1
129.20157	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	111.1172
Annotation	2,3-DIMETHYL-1,4-HEXADIENE
Peak:m/z	Relative Intensity
53.03945	1.3
55.05517	31.3
56.05305	0.4
57.07067	1.4
58.06614	0.5
61.91560	0.4
65.53777	0.4
66.17272	0.4
67.05521	2.7
68.21953	0.4
69.07073	100.0
70.02968	0.6
70.06601	2.0
78.52751	0.5
83.06094	0.7
88.00504	1.0
90.04965	0.4
99.51355	0.5
111.04444	0.9
111.05607	2.8
111.06299	0.7
111.08110	0.5
111.09212	5.5
111.11768	0.9
112.08779	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.051
Annotation	Cytosine
Peak:m/z	Relative Intensity
50.51648	0.3
55.01863	0.7
55.05502	0.7
56.05032	0.5
56.96569	16.4
57.03425	0.8
65.52213	0.2
66.00502	0.4
67.02988	0.7
67.05513	0.4
67.27147	0.2
68.01410	0.2
69.03442	2.9
69.04558	5.0
70.02956	10.6
70.06599	1.5
70.94269	0.4
70.95888	0.3
70.98135	1.5
71.02984	0.7
71.52131	0.5
71.95272	0.6
72.52977	0.3
74.97623	0.3
75.01045	1.0
79.01403	0.2
79.01852	0.6
79.51068	0.4
80.00233	0.3
81.01015	0.3
81.03425	1.3
82.01440	1.2
83.00797	0.3
83.97612	0.3
84.01582	1.2
84.04506	1.7
84.08150	3.1
84.96028	0.8
86.51834	0.4
86.53588	0.3
88.51575	2.0
88.99153	0.4
89.00283	0.6
89.00778	1.7
89.50504	0.4
89.52360	0.9
90.01537	0.3
91.07127	0.4
94.04058	2.3
95.01410	0.6
95.02459	15.2
96.00861	0.9
97.52100	1.1
97.96789	0.3
97.99202	0.7
98.01297	1.6
98.01840	0.4
98.51069	0.6
98.97591	3.4
99.99969	0.3
100.02484	1.6
100.54256	0.3
101.03130	0.3
102.02283	0.3
109.00517	0.5
109.02869	1.5
110.01296	0.7
110.03672	0.6
110.97550	0.6
112.05096	100.0
112.07600	4.9
112.11248	5.5
112.11970	0.4
113.02366	0.8
113.03502	3.1
113.05432	0.5
113.10768	0.4
116.98636	1.0
118.03504	0.6
119.01901	0.4
128.98738	0.3
132.05040	0.4
134.99739	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.5
55.01862	4.9
55.05522	14.6
56.05047	8.9
56.96574	100.0
58.50539	5.0
58.99839	2.0
60.04541	6.5
64.95556	1.4
65.03942	3.4
65.52187	3.0
67.51077	14.1
68.00841	1.3
68.02650	3.2
68.05035	5.3
68.99787	1.2
69.03436	6.9
69.04536	3.5
69.07066	1.2
69.36887	8.2
70.01335	2.7
70.02957	9.4
70.06606	10.2
70.98118	5.2
71.02985	3.3
71.04987	2.0
71.95267	6.0
73.51051	1.6
74.97581	1.5
75.01036	2.6
75.51659	1.8
76.51595	27.6
76.53355	1.2
77.01369	5.3
78.01949	6.7
78.50110	1.3
78.52012	1.2
78.52950	3.7
79.00000	2.0
79.01868	23.0
79.51033	1.5
80.05007	4.5
81.03435	10.6
82.01460	14.1
82.05331	15.6
82.06585	2.1
83.01492	1.6
83.05001	15.0
83.06111	24.2
84.01590	5.7
84.04518	7.3
84.08107	3.2
84.75931	1.1
84.96032	1.4
85.52109	6.4
85.53739	5.2
87.00476	2.8
87.02477	29.3
87.50574	3.3
87.52536	6.9
87.53493	4.0
87.54356	6.4
87.99964	1.6
88.00500	30.1
88.01018	1.0
88.01823	2.3
88.02370	14.0
88.03211	1.4
88.04149	3.2
88.51577	6.9
88.99183	1.5
93.02036	1.9
94.06574	3.0
95.01299	2.2
95.02454	8.1
96.02983	2.8
96.51319	2.5
96.54005	2.8
97.01011	14.3
97.02320	2.0
97.02898	3.0
97.52089	4.5
97.99202	10.5
98.97599	32.5
99.04320	2.8
99.51286	3.0
99.53491	1.9
100.01854	2.2
100.02492	36.8
101.02579	5.2
102.02248	2.7
103.02431	1.5
108.04773	5.7
110.97560	5.9
111.00807	4.0
111.03712	1.8
111.04444	35.2
111.05570	41.1
111.06406	4.6
111.08100	1.7
111.09226	17.5
112.05103	60.3
112.07629	6.1
112.11230	3.1
113.96394	2.6
114.04098	1.4
115.02438	1.2
115.96452	11.8
116.00263	2.5
116.97221	3.7
116.98634	22.8
118.01101	1.3
118.03537	11.0
119.03619	1.5
122.62347	1.1
128.98621	5.7
129.04005	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	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03955	10.1
55.05517	8.0
65.03947	3.7
67.05510	100.0
68.05823	0.6
69.07070	4.0
69.26497	1.8
69.26929	2.5
77.00203	0.5
77.99931	0.8
79.05501	7.0
80.06300	0.5
81.02933	0.5
81.03425	24.8
81.07061	26.1
82.03802	0.5
86.00708	3.0
86.50625	0.7
87.00475	7.3
91.05492	1.9
94.04208	0.5
94.07845	0.7
107.08585	2.9
109.02937	2.3
109.06531	3.8
109.07668	0.8
109.10165	46.1
110.06059	0.7
113.96445	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	1105.5796
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03935	0.6
77.80951	0.3
79.05494	8.4
81.03416	1.7
81.07057	22.9
83.01315	0.4
83.04980	19.5
83.08617	3.3
85.02904	82.5
85.06522	0.4
87.04466	1.5
91.03965	2.8
91.05472	8.6
91.06011	0.7
93.07043	18.8
95.01329	15.5
95.01926	0.7
95.04974	3.4
95.08607	41.7
97.02894	8.9
97.06510	2.5
97.10169	1.8
99.00828	1.5
99.04449	2.3
99.08110	1.0
101.02329	0.6
101.06009	1.2
103.03944	2.1
103.05472	0.8
105.04527	0.9
105.07031	23.8
107.04952	0.6
107.08595	32.0
108.12174	0.3
109.02882	2.7
109.06516	2.4
109.10156	31.7
111.04442	19.3
111.08079	8.7
111.11716	0.7
113.02363	2.9
113.06017	1.6
115.03902	0.9
115.05490	0.6
117.07017	3.2
119.08580	33.0
121.06492	0.9
121.10143	25.1
123.00785	0.8
123.04435	0.7
123.08078	1.3
123.11713	9.5
125.02393	0.5
125.09642	3.4
127.03911	5.1
128.06194	0.6
129.05486	25.9
129.06873	1.8
130.07790	0.5
131.03419	1.1
131.08572	11.1
133.10133	22.0
135.08040	0.5
135.11696	14.8
137.09605	0.9
137.13251	3.4
139.03972	0.4
139.11145	2.5
141.01830	36.4
142.07800	1.0
143.08562	5.1
144.09363	1.4
145.04964	4.6
145.10121	19.7
146.10786	0.4
147.04633	0.6
147.06520	14.8
147.11690	20.6
149.05983	0.3
149.09607	1.0
149.13261	17.6
151.07576	0.6
151.11171	1.9
151.14838	1.1
153.05515	1.8
153.12756	0.8
155.08559	1.6
156.09344	1.0
157.04958	0.5
157.10132	8.2
158.10898	1.0
159.02887	9.1
159.06551	1.6
159.11696	23.2
161.13261	19.2
163.06017	4.7
163.11218	1.1
163.14830	13.0
165.01837	0.7
165.07614	1.1
165.12712	1.7
165.16374	0.5
169.10141	2.8
170.10925	1.2
171.06558	1.8
171.11691	7.4
172.12480	0.4
173.13261	14.8
174.13808	0.4
175.11401	0.6
175.14827	16.8
177.03949	1.5
177.05421	0.6
177.12810	1.6
177.16394	11.6
179.07014	0.4
179.10847	0.5
179.14328	2.2
181.10051	0.5
183.02882	0.4
183.11702	3.5
185.13268	8.6
186.14034	0.5
187.11290	0.6
187.14822	12.3
189.12738	1.5
189.16388	13.6
191.14326	2.1
191.17938	4.6
193.08569	0.4
193.15872	4.9
195.11737	1.1
195.17429	1.5
196.12419	0.5
197.13229	3.5
198.13983	0.6
199.14813	7.9
201.04007	0.6
201.07590	0.5
201.16396	13.9
203.14375	4.1
203.17958	13.2
205.15866	9.2
205.19464	2.3
207.11711	0.5
207.17445	4.9
209.13217	1.4
211.14795	2.8
213.07645	0.9
213.16386	6.5
215.17955	12.5
217.15903	5.2
217.19469	5.4
219.17438	11.6
219.20958	0.7
221.15401	1.5
221.18987	4.8
223.14824	1.2
223.17017	1.8
225.07516	0.6
225.16429	2.3
227.17958	4.8
229.15895	1.2
229.19473	3.6
231.08705	0.8
231.17442	5.7
231.21149	1.1
233.19006	8.9
235.16893	0.5
235.20602	0.8
237.07668	0.6
237.16394	1.0
237.18633	0.6
239.09163	3.4
239.17903	2.2
241.07124	0.7
241.19548	3.9
243.17500	3.0
243.21042	2.6
245.19009	6.9
247.20551	1.1
249.18539	0.5
251.05533	0.5
251.17892	1.3
251.20134	0.4
253.19563	2.3
255.08699	2.0
255.17505	0.5
255.21063	2.9
257.10132	2.2
257.18921	1.7
257.22656	1.2
259.08228	0.5
259.20618	2.9
261.22235	1.0
263.20126	0.7
265.19656	0.8
267.20987	2.5
269.06580	2.1
269.19101	1.0
269.22659	2.3
271.20596	2.7
271.23944	0.6
273.09738	1.5
273.22192	2.2
275.11221	2.3
281.22693	1.0
283.20410	1.0
283.24185	1.1
285.22064	2.8
287.07608	3.4
287.20355	0.4
287.23727	1.3
291.10660	0.5
293.12286	7.6
293.22650	1.0
295.24136	1.4
297.22177	1.1
299.23703	1.4
303.07217	0.5
305.08673	8.9
307.24170	0.6
309.11786	4.1
309.25790	1.5
311.23672	0.8
311.27347	0.5
313.25211	1.7
321.08200	1.6
323.09802	3.4
325.25165	0.8
327.26764	1.8
329.24838	0.5
329.28427	0.6
339.09161	0.7
339.26828	0.5
361.28842	0.7
363.30505	3.5
365.19418	0.5
379.29953	0.9
381.31531	10.1
391.33777	1.7
393.35110	1.0
399.32462	1.1
403.33575	7.7
405.35239	0.5
409.34604	8.9
411.36182	1.3
419.32980	0.5
421.34650	59.9
422.34766	2.1
423.36310	2.5
427.35681	1.4
437.34146	1.0
439.35718	100.0
440.36154	3.4
457.36743	14.7
458.37018	0.8
491.35657	0.4
531.38373	0.8
549.39130	1.6
555.40594	0.5
561.35248	0.5
567.40411	3.8
579.36914	4.2
585.41608	4.6
597.37854	11.3
603.42426	1.0
615.38892	6.1
633.39923	0.5
707.40521	0.4
738.62561	0.4
743.43231	0.6
761.44604	0.7
973.18744	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0653
Annotation	4-Cresol
Peak:m/z	Relative Intensity
53.03719	0.8
53.03952	11.1
55.01879	2.9
55.05507	2.1
63.58174	0.5
65.03938	2.8
67.05511	21.4
69.07064	1.4
69.46530	1.3
69.46939	3.7
74.99839	0.8
77.00175	0.8
77.50105	0.8
77.99960	1.9
79.05502	29.9
81.03426	20.6
81.07063	32.5
86.00705	5.7
86.50632	3.4
87.00472	11.4
89.50751	1.0
90.76794	0.7
91.05494	9.1
94.04178	2.9
97.51499	0.9
98.51254	0.8
107.08630	1.0
109.02900	2.2
109.06527	100.0
109.10162	16.1
110.06062	1.4
111.96888	2.2
112.96687	0.8
113.96421	3.8
126.82213	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
75.73922	0.2
76.08009	0.2
81.06973	0.3
98.21477	0.2
119.41344	0.2
179.32428	0.2
202.54309	0.2
321.65787	0.2
335.25870	0.2
396.12015	0.3
396.28275	0.2
397.12808	0.5
399.14502	0.4
409.13184	0.3
410.13577	1.0
411.14529	2.8
412.15225	2.0
413.16068	1.1
423.09894	0.3
423.14737	0.8
424.10837	0.5
424.16125	1.4
425.16315	5.2
426.16861	3.8
427.17590	1.2
428.18213	0.7
437.12036	0.5
437.16650	0.5
438.12247	1.9
439.13455	7.2
440.13492	0.6
440.19098	3.3
441.19318	16.9
442.19577	2.1
451.13266	0.3
451.18069	0.5
452.14148	2.4
453.15204	9.0
454.15891	2.3
455.16785	0.4
456.18076	0.2
457.14987	0.3
463.13943	0.4
465.15588	0.5
466.17120	1.0
467.17191	15.7
468.17798	8.9
469.18900	6.6
470.18805	0.8
470.25610	0.2
471.16214	0.3
472.17493	0.2
477.15750	0.5
478.16058	0.7
479.17184	0.5
480.14841	0.7
481.14670	8.9
482.15228	2.9
483.16080	0.3
484.17325	0.2
485.12991	0.3
493.15607	0.2
494.16461	0.4
495.16541	14.1
496.17017	21.6
497.17902	3.0
498.19263	0.5
499.19269	0.7
500.20007	0.4
508.19034	0.4
509.18518	1.7
510.19214	0.4
512.20795	0.3
513.17773	0.3
514.22766	1.3
522.17664	0.5
523.19043	0.7
525.17096	0.3
527.22620	1.4
528.19910	0.8
536.19513	0.9
537.19397	1.7
538.18243	0.3
539.19952	0.4
540.19751	0.4
542.21405	0.7
551.19318	0.2
555.22473	16.8
556.22864	1.3
568.19385	0.7
582.20636	0.3
583.21918	50.1
584.22192	6.1
586.20795	0.6
587.25287	0.9
599.21448	0.4
600.21777	0.6
601.22693	0.3
610.20465	0.4
611.21277	1.9
614.23810	0.6
615.24524	3.9
642.23273	16.4
643.23840	100.0
644.13165	0.3
644.23956	5.8
1089.61951	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03946	9.4
53.42546	0.8
53.45844	0.8
55.01875	1.1
55.59492	0.8
62.99078	5.1
63.93422	0.8
65.03941	12.3
66.08874	0.8
67.05500	5.5
69.01147	0.8
70.67661	1.0
70.67996	1.9
77.03917	1.4
79.05497	100.0
81.03438	0.9
91.05486	90.6
92.06260	2.6
95.04982	9.1
102.02002	0.8
102.79221	0.9
105.04508	4.2
105.07040	29.6
106.04151	1.2
107.04961	42.6
107.08600	40.7
108.08096	2.3
109.06516	10.1
119.06075	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	1085.5539
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04479	4.4
76.11382	0.3
76.59222	0.4
79.05492	6.1
81.03428	1.1
81.06577	0.8
81.07060	16.4
83.04990	9.1
83.08627	1.8
85.02905	49.2
87.04469	1.0
91.03981	0.6
91.05471	6.1
93.07043	13.8
95.00751	0.7
95.01330	8.6
95.04964	1.8
95.08609	31.1
97.02889	4.6
97.06558	1.8
97.10171	1.6
98.20760	0.7
99.00818	0.9
99.04459	2.2
99.08101	0.4
101.02381	28.8
101.06001	0.7
101.44654	0.3
103.03954	1.4
103.05460	0.7
103.70445	0.3
105.04492	0.4
105.07036	17.1
106.07339	0.4
107.08595	21.9
109.02905	2.4
109.06527	1.2
109.10157	22.4
110.10406	0.3
111.04452	6.0
111.08094	5.6
111.11719	0.4
113.02374	2.1
115.05419	0.4
117.06992	2.1
119.08584	23.0
121.10146	17.4
123.00866	0.5
123.08051	0.7
123.11717	6.7
125.02357	0.3
125.09605	2.1
127.03918	100.0
128.04295	0.7
128.06236	0.5
129.05486	8.9
129.07031	1.4
130.07741	0.6
131.03375	0.5
131.08572	7.9
133.10136	15.4
134.10535	0.3
135.11694	10.2
137.09625	0.8
137.13255	1.6
139.11179	1.1
141.01828	21.9
142.07794	1.0
143.08565	4.1
144.09335	0.9
145.04962	55.4
145.10121	16.3
147.06508	4.0
147.11687	15.2
149.09677	0.5
149.13260	11.0
151.11197	1.5
153.12692	0.3
155.08546	0.9
156.09306	0.8
157.10124	5.8
158.10936	0.9
159.02896	4.0
159.11694	16.2
161.09685	0.4
161.13257	13.1
161.14606	0.7
163.06027	1.6
163.11151	0.6
163.14812	7.8
165.12746	1.2
165.16470	0.5
169.10147	1.4
170.10919	0.6
171.11696	5.6
172.12477	0.5
173.13258	11.5
174.13724	0.4
175.11272	0.5
175.14821	13.5
176.15225	0.4
177.03976	0.5
177.05492	0.8
177.12778	1.3
177.16370	7.8
179.14334	1.6
183.11702	2.7
184.12498	0.5
185.13258	6.2
186.13956	0.4
187.14830	8.3
189.12737	0.6
189.16382	12.4
189.18082	0.6
191.14351	1.7
191.17963	3.3
193.15848	3.8
195.11755	0.9
195.17479	0.6
197.13216	2.3
199.14827	5.9
201.16382	11.0
203.14319	2.9
203.17961	7.8
203.19731	0.5
205.15868	9.7
205.19495	1.4
207.17455	4.2
209.13332	0.7
211.14804	2.2
213.16394	5.1
215.14481	0.7
215.17957	11.1
217.15842	4.0
217.19470	3.9
219.17439	7.6
219.19347	0.7
221.18994	3.7
223.14798	1.0
223.16882	0.6
225.16350	2.4
227.17984	3.2
229.15923	0.5
229.19495	2.1
231.17390	3.8
231.21144	0.9
233.19023	8.2
235.20621	1.0
237.16400	0.7
239.17828	0.7
241.19522	2.9
243.17441	1.9
243.21060	1.8
245.19028	5.4
245.21492	0.5
245.22571	0.5
247.20561	1.0
251.17993	0.7
253.19452	2.0
255.08524	0.5
255.21042	1.9
257.18973	0.5
259.20599	2.4
261.22177	1.1
265.19385	0.9
267.21185	2.3
269.06586	0.5
269.22717	1.5
271.20584	2.4
273.09763	1.0
273.22052	2.1
281.22543	1.1
283.20737	0.4
283.24136	0.6
285.22223	1.8
287.07739	0.8
287.23810	0.7
291.10715	0.5
293.22546	1.0
295.24271	1.6
297.22244	0.9
297.25537	0.5
299.23743	1.6
305.08655	2.9
307.24222	0.6
309.11804	1.3
309.25650	0.8
311.23776	0.9
313.25229	2.8
321.08353	0.9
323.09784	0.5
323.27420	0.4
325.25198	0.5
327.26791	0.9
329.28793	0.4
339.26688	0.5
351.17877	0.4
363.30450	1.9
365.19751	0.8
365.28180	0.4
379.21417	0.5
379.29944	0.6
381.31494	6.1
391.33469	1.8
393.35135	0.9
403.33636	6.0
409.34662	7.1
410.34915	0.5
411.36331	0.8
421.34653	41.2
422.34933	1.3
423.36313	0.9
437.34375	0.5
439.35730	62.7
440.36206	2.5
449.34094	0.7
457.36676	3.1
491.34723	0.4
507.34442	0.6
547.37769	1.4
549.39069	0.8
553.38666	0.8
561.35510	0.7
565.38812	4.9
579.36774	3.4
583.39929	3.4
585.38367	0.5
597.37915	8.8
601.41125	0.6
615.39020	3.2
646.80646	0.6
741.42017	0.8
745.14655	0.4
925.97888	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03949	1.1
55.01889	0.9
62.99091	1.0
65.03946	12.0
67.05511	3.4
69.20274	0.4
69.90887	0.4
70.67856	1.2
71.12528	0.4
77.03918	0.5
79.05502	14.4
91.05487	100.0
92.06274	2.3
95.04974	1.5
98.03553	0.4
103.05446	0.5
105.07042	34.9
106.04202	1.5
107.04964	11.9
107.08603	57.6
108.08842	0.6
109.06530	14.1
109.07270	0.8
119.05225	0.6
119.06078	12.4
121.29066	0.4
124.05276	0.6
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
50.75195	0.9
51.02367	1.0
53.03945	3.9
55.01872	1.2
62.99078	4.7
64.14647	0.8
65.03946	11.9
67.05514	5.5
70.14762	0.8
70.86118	1.8
77.03909	1.5
79.05498	51.2
80.05010	0.8
81.03431	1.2
91.05486	100.0
92.05755	1.0
92.06268	3.6
92.49506	0.8
93.75625	0.8
95.04983	4.5
103.05470	0.9
103.58811	1.0
105.04498	2.1
105.06305	1.1
105.07037	31.4
107.04963	42.8
107.08601	53.8
108.08112	1.6
109.06532	13.4
111.32137	0.8
119.06080	8.9
122.75895	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03946	1.4
55.01878	0.5
62.99088	2.0
64.29822	0.3
65.03949	10.0
67.05507	2.7
69.68980	2.3
79.05502	14.5
81.03461	0.3
91.05488	100.0
92.06277	1.6
95.05002	2.2
95.05487	0.4
95.25823	0.4
105.04532	0.8
105.07040	33.9
106.04182	1.6
107.04301	0.8
107.04970	12.2
107.08603	58.5
109.06528	13.6
111.96615	0.4
119.06080	11.3
124.05215	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02375	1.9
53.03951	10.3
60.04508	1.6
65.03944	0.9
70.97247	2.1
76.08070	0.8
77.03931	2.2
79.05496	37.2
88.03536	0.8
88.04790	1.0
92.07748	0.7
95.03725	0.8
95.04980	7.9
100.58026	0.8
103.05476	26.9
105.04544	4.7
105.07035	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02379	0.6
51.88964	0.3
53.03704	0.4
53.03949	6.2
55.01875	0.7
61.12222	0.2
62.99073	1.1
63.10214	0.2
65.03948	1.8
67.05504	0.8
70.20245	0.3
77.03931	1.7
79.05500	15.9
81.03408	1.0
89.65526	0.3
91.05488	14.5
92.06288	0.5
95.04977	5.8
100.68459	0.3
105.04521	2.3
105.07039	4.8
105.07698	0.5
107.04963	100.0
107.08598	8.2
107.09306	0.6
108.05296	0.5
108.62987	0.3
109.06523	1.6
119.06091	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Choline
Peak:m/z	Relative Intensity
52.80192	0.2
57.61317	0.2
58.06598	3.3
58.41801	0.2
59.07378	0.8
60.08167	33.8
67.72420	0.2
69.03438	1.5
72.84988	0.2
86.06071	1.0
87.04471	4.1
104.10749	100.0
105.11073	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	105.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.9
52.81723	0.3
53.03952	7.7
59.91357	0.3
71.04945	0.6
75.35134	0.3
77.03928	3.7
79.05499	39.1
81.03411	0.5
87.52346	0.5
95.04979	8.4
103.05475	25.1
105.04546	4.0
105.07037	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02377	0.7
53.03949	8.3
62.49538	0.3
62.77000	0.4
70.20227	0.3
71.31796	0.9
76.78910	0.4
77.03933	3.5
79.05499	37.7
81.03413	0.5
83.11443	0.4
88.16177	0.4
95.04977	7.3
96.70381	0.4
103.05476	28.5
105.04545	3.8
105.07036	100.0
106.07347	0.8
123.57560	0.4
123.94886	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1034.5898
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02917	3.0
77.03915	2.0
79.05499	86.6
81.03423	25.4
81.07063	100.0
81.68393	1.3
83.04988	17.2
83.08153	1.5
83.08621	24.2
85.02523	1.2
85.02921	13.9
85.06539	5.8
87.04468	1.3
91.03939	4.1
91.05488	94.2
93.07051	74.3
95.01307	1.5
95.04980	23.4
95.08613	57.1
97.02897	14.8
97.06536	28.1
97.10175	23.3
99.04469	3.8
99.08076	3.1
102.92786	1.1
103.05442	3.1
105.04501	3.0
105.07039	70.1
107.04961	22.1
107.07867	2.7
107.08601	56.7
109.02869	4.9
109.06535	10.2
109.10163	47.7
111.04448	2.2
111.08077	7.3
113.05968	1.4
113.09641	3.2
115.05457	7.0
117.07026	25.2
119.04893	1.9
119.06104	1.4
119.08591	50.3
121.06496	9.7
121.10152	25.6
123.04414	1.8
123.08057	10.6
123.11710	6.6
125.06003	1.6
125.08759	1.6
125.09643	20.4
127.03916	8.9
128.06223	3.4
129.05463	5.2
129.07034	14.8
130.07770	3.0
131.08575	37.4
133.06465	6.1
133.10146	38.9
135.08060	9.4
135.11700	21.4
137.09618	18.8
137.13254	1.6
139.11198	3.2
141.06999	5.4
142.07785	2.2
143.08577	13.6
145.04939	2.3
145.06538	2.9
145.10126	30.1
147.08029	4.2
147.11705	22.9
149.05879	1.5
149.09633	42.1
149.13255	11.1
151.11165	5.5
153.09088	1.8
155.08568	7.3
155.10593	2.9
155.29129	1.3
157.06349	1.6
157.08850	1.8
157.10133	11.2
159.08038	2.7
159.10463	1.8
159.11714	27.0
161.09668	5.8
161.13271	11.1
163.06049	1.4
163.11194	19.3
165.09142	2.6
165.12750	2.5
167.08606	2.0
167.10652	2.1
169.10100	8.5
169.12250	1.4
171.10239	2.3
171.11699	11.7
173.04477	2.2
173.09578	2.1
173.11725	11.8
173.13281	11.0
175.11192	6.2
175.14819	1.7
177.12778	8.1
179.14340	7.4
181.10126	3.0
181.12260	1.8
183.11685	7.3
185.09561	1.4
185.13268	4.2
187.11151	3.4
187.13307	2.2
187.14781	2.9
187.79343	1.2
189.11214	10.8
189.12756	2.2
193.12167	2.0
195.11725	1.8
195.13779	5.3
197.13362	5.8
199.13216	2.4
199.14862	3.3
201.12788	1.6
205.12161	2.7
207.11732	1.5
207.13841	1.8
209.13303	2.9
209.15364	1.2
211.11240	1.9
211.13130	2.3
211.14951	2.5
215.14403	1.9
215.17949	1.3
219.13887	1.6
223.13228	3.4
227.12793	27.7
229.14342	23.2
229.19582	4.9
231.17422	1.9
239.17981	4.4
243.15919	2.8
245.13857	2.4
245.19032	2.1
247.20598	4.7
253.14322	1.6
253.17992	3.0
255.15706	7.2
256.23315	1.3
257.19019	20.8
259.20599	2.7
263.20035	1.7
267.15936	5.4
269.17456	20.1
273.18533	8.3
275.20081	74.1
276.20258	1.8
291.19540	14.4
293.18192	1.4
293.21075	8.0
299.19946	1.6
313.21701	2.6
321.24481	3.0
331.22653	6.6
347.22183	2.4
349.23776	75.2
350.24414	1.2
365.23257	7.9
367.24747	2.6
383.24261	4.0
399.23563	1.9
409.25900	7.6
423.27499	12.9
431.28033	2.9
445.29449	3.1
449.29181	3.2
451.32031	1.6
461.29352	2.2
479.29980	1.6
487.34241	1.8
491.30731	1.4
503.33746	20.5
511.34225	3.9
517.34949	2.4
519.32959	4.9
525.35736	2.1
527.37183	2.7
529.35187	7.8
541.35419	2.6
543.29291	2.0
543.36884	24.8
545.34961	1.4
559.36090	3.0
561.37518	2.5
605.41852	2.3
623.33545	1.9
623.43097	30.8
639.42206	3.0
641.43939	7.9
657.43030	1.3
687.40704	2.3
1034.59399	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	1034.5895
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02909	5.0
75.13890	1.2
77.03904	3.3
79.05496	78.6
81.02978	2.0
81.03426	19.7
81.07059	85.1
82.07383	1.4
83.04980	13.2
83.08624	15.7
85.02905	19.5
85.06542	5.6
91.03983	5.9
91.05482	100.0
93.07046	82.2
95.04984	21.9
95.08608	58.7
97.02898	16.5
97.06531	21.3
97.10162	12.0
99.04468	4.0
99.08073	2.8
103.05493	2.8
105.04508	4.5
105.07036	84.3
106.07333	1.4
107.04975	12.8
107.07867	2.6
107.08593	42.5
109.02867	3.7
109.06527	8.7
109.10157	30.4
111.04453	3.0
111.08096	7.3
113.06014	2.4
113.09623	2.5
115.05463	6.3
116.04747	1.4
116.06273	1.3
116.07078	1.8
117.07023	31.9
118.07828	1.5
119.04926	1.9
119.08585	54.8
120.08878	1.5
121.06518	8.4
121.10148	27.7
123.08060	7.9
123.11694	3.6
125.09637	11.6
127.03916	7.8
128.06224	7.5
129.05553	5.7
129.07004	21.9
130.07813	2.2
131.04901	1.6
131.08577	40.6
133.06506	4.0
133.10139	43.1
135.08099	7.2
135.11696	16.6
137.09598	11.8
137.13232	1.8
139.07605	1.9
139.11180	2.3
141.06981	7.6
142.07791	4.6
143.08572	19.1
144.09354	2.2
145.04959	3.4
145.06432	1.7
145.10133	34.5
147.08046	5.2
147.11682	27.7
149.09622	26.2
149.10744	2.2
149.13275	12.7
151.11201	4.9
153.09076	1.9
153.12694	1.3
154.07753	2.6
155.08557	10.4
156.09334	1.5
157.10129	19.7
159.08090	3.0
159.11703	26.4
161.09636	4.5
161.13269	11.8
163.06027	1.4
163.11186	12.5
163.14835	1.7
165.07043	1.6
165.09070	1.6
167.08586	3.6
167.31966	1.5
168.09369	1.5
169.10147	10.7
171.10280	2.2
171.11685	18.2
171.22989	1.3
173.04462	2.6
173.09619	2.1
173.11765	5.7
173.13269	16.4
175.11180	5.4
175.14812	1.8
177.12730	6.9
179.08553	2.7
179.14328	4.9
181.10143	4.5
183.11674	10.7
185.09727	1.6
185.11746	1.8
185.13274	8.9
187.11218	3.3
187.13319	1.3
187.14870	4.8
189.11237	4.1
189.12766	3.2
191.14351	2.6
193.10127	2.9
193.12123	1.3
195.11699	4.6
195.13818	5.3
197.13264	5.9
199.11220	1.6
199.13213	1.9
199.14848	4.4
201.12744	1.8
201.16380	2.1
205.12210	1.6
207.11789	2.7
207.13695	2.1
209.13255	4.2
211.14836	5.1
213.16432	2.8
215.14474	1.6
215.17946	1.5
217.15874	2.0
221.13361	2.1
223.14972	2.3
225.16353	2.8
227.12820	6.7
229.14331	9.0
229.19484	3.1
231.21030	1.9
237.16370	1.7
239.17987	2.9
241.19504	6.2
247.20641	3.7
253.17955	1.8
257.19077	9.5
259.20615	16.7
267.15698	2.6
269.17480	13.8
273.18625	2.5
275.20099	33.2
281.17511	2.6
291.19427	7.2
293.21136	3.6
297.22064	1.8
301.21625	2.3
303.15936	1.2
311.23505	1.7
313.21643	3.0
315.23187	2.1
331.22681	3.6
333.24237	15.7
339.22925	1.3
347.22964	1.4
349.23819	26.7
349.90796	1.4
365.23270	4.7
383.24149	1.7
421.31161	1.8
423.27383	4.5
429.29962	2.4
435.27332	2.8
445.29358	1.6
447.31186	2.5
460.30219	1.4
463.31418	1.8
487.34238	5.7
495.34717	2.7
501.36374	1.9
503.33612	1.4
513.35773	29.6
519.32550	1.4
525.35547	2.0
527.37189	5.0
529.35236	1.5
543.36853	11.2
545.38263	1.4
555.37158	2.7
561.38538	1.4
607.43610	18.1
623.42896	6.5
625.44556	15.7
641.44135	2.6
948.50397	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16920	0.8
51.02381	1.7
53.03951	14.3
56.96571	7.9
58.50551	1.6
60.02140	2.0
67.51067	3.1
71.04068	1.7
77.03922	2.8
79.01853	1.7
79.52036	1.9
81.03423	1.8
85.02911	1.4
85.04786	0.6
86.03278	0.8
87.04492	0.9
88.01621	1.4
95.04976	12.3
102.04694	2.8
103.04051	3.9
103.05475	100.0
104.10756	1.6
105.04524	6.0
119.71140	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1032.5746
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05496	35.6
81.03425	10.7
81.07062	35.3
83.04980	6.3
83.08617	9.6
85.02906	4.8
85.06547	2.2
91.03933	2.4
91.05484	37.5
93.07049	30.1
93.07635	1.7
95.01323	0.9
95.04967	13.9
95.08611	23.4
97.02891	12.3
97.06532	13.3
97.10177	10.7
97.89398	0.7
99.04464	0.8
99.08112	0.9
103.05495	1.2
105.04504	1.7
105.07033	26.9
107.04968	13.9
107.08600	17.9
107.12389	0.8
109.02842	1.7
109.06535	4.5
109.10159	21.0
111.04435	2.3
111.08100	3.8
113.09631	0.8
115.05463	2.4
117.07021	14.3
119.04952	1.2
119.08585	23.0
120.05658	0.9
121.06505	5.2
121.09309	1.1
121.10136	10.1
123.04460	1.7
123.08101	5.0
123.11696	1.8
125.09624	10.1
127.03909	2.4
128.06218	2.2
129.05482	0.9
129.07014	6.2
130.07803	1.1
131.04877	0.7
131.08574	14.4
133.06483	3.3
133.10149	11.8
134.07271	1.3
135.08043	6.3
135.11685	5.5
137.09621	10.4
137.22076	0.7
139.11208	1.2
141.06999	1.8
142.07816	0.8
143.08620	4.7
144.09303	0.7
145.06502	1.3
145.10139	12.1
147.08057	7.4
147.11679	6.9
149.09633	13.6
149.13271	4.9
151.11151	2.2
153.09087	2.1
155.08560	1.9
155.10675	1.3
157.10147	4.4
159.08012	1.6
159.11696	7.9
160.50444	0.8
161.09602	4.5
161.13277	4.2
162.10367	1.1
163.11159	6.5
165.09081	2.7
169.10141	2.2
169.12325	1.2
171.10342	1.3
171.11716	3.6
173.09596	1.3
173.11722	3.9
173.13268	3.6
175.11211	4.2
177.09129	1.3
177.12729	3.6
179.14359	3.2
183.11711	1.7
184.07359	0.8
185.13280	1.6
187.11198	1.2
189.11223	5.0
189.12830	1.8
193.12244	2.2
195.13773	1.6
197.13298	1.1
199.11203	1.1
201.12634	0.8
203.14470	0.9
205.12247	2.8
211.13307	2.5
223.13269	17.8
223.72829	0.7
227.12759	8.7
229.14297	8.6
229.19408	1.4
237.16631	0.8
239.17903	1.6
245.19055	2.1
247.20534	1.0
249.14787	4.1
252.33539	0.8
253.14355	1.2
255.17592	1.2
257.18991	6.2
267.15857	0.9
273.18521	15.1
274.18661	0.9
275.20074	17.3
276.19992	0.8
281.13724	0.8
291.19553	100.0
292.19839	1.5
293.21133	1.8
297.17139	0.8
309.20618	0.9
331.22632	2.0
335.26080	0.8
347.22110	2.2
349.23755	24.3
365.23245	35.5
381.22385	0.9
417.88293	0.8
421.25778	1.0
461.28931	4.4
519.33179	25.1
533.34753	1.9
533.86493	0.9
535.32410	1.0
541.35095	2.1
543.36926	4.9
557.34113	0.9
559.35858	4.1
575.35748	1.3
587.35486	1.1
611.43103	0.8
621.41510	2.4
639.42542	44.7
640.42438	1.0
655.41730	3.0
657.43469	3.0
663.36914	0.9
673.41968	1.1
675.81812	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.7
53.03954	19.5
53.95752	0.7
55.01879	1.2
56.96566	6.8
58.50543	0.9
58.96154	0.7
60.02148	1.0
66.91959	0.7
67.51073	1.3
69.16378	2.9
69.16799	4.3
76.51602	0.8
77.03937	5.6
77.74281	0.8
79.01869	1.9
79.52042	1.6
81.03429	1.3
85.02905	1.4
86.03214	0.9
87.04470	1.7
88.01624	0.8
88.02435	0.7
95.04986	16.5
98.20803	1.6
101.07213	0.7
102.04719	3.6
103.04044	4.1
103.05480	100.0
104.10776	2.0
105.04535	9.0
112.50221	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5954
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	1.6
71.05011	6.8
71.05348	1.1
73.02908	2.3
76.32325	0.9
77.03928	2.7
79.05499	73.9
81.03423	19.1
81.07063	100.0
83.01295	0.8
83.04987	15.5
83.08627	20.3
85.02908	10.4
85.06544	4.9
87.68304	0.9
91.03979	2.2
91.05488	68.7
93.07052	83.1
94.07366	1.2
95.01291	1.0
95.04980	12.9
95.08613	44.9
97.02901	9.6
97.06535	25.2
97.10169	15.3
98.20803	1.4
99.04459	3.5
99.08101	3.9
103.05479	3.3
105.04548	2.2
105.07040	57.3
106.07364	1.4
107.04959	15.8
107.08599	55.2
109.02888	2.7
109.06530	9.7
109.10168	21.6
111.04435	1.1
111.08082	10.7
113.09676	3.0
115.03973	0.9
115.05432	4.4
116.06255	1.1
117.07030	29.5
117.07859	1.6
118.79675	1.1
119.08591	45.3
121.06513	9.7
121.10151	25.9
123.04449	1.4
123.08089	5.6
123.11706	5.9
125.09629	12.9
127.03933	6.1
128.06238	1.8
129.05492	2.7
129.07011	12.4
130.07794	2.1
131.04929	2.0
131.08580	36.3
133.06487	3.2
133.10141	36.0
135.08095	9.0
135.11700	22.8
137.05922	1.6
137.09641	4.9
139.11221	1.2
141.07016	5.9
142.07805	2.5
143.08572	11.2
144.09335	1.6
145.04999	3.2
145.06520	4.1
145.10138	31.1
147.08041	3.3
147.11703	19.2
149.09636	23.0
149.13268	17.7
151.11198	5.1
153.09105	1.4
155.08574	6.4
157.06473	1.0
157.10132	10.2
159.08072	2.3
159.11693	23.9
161.09663	2.7
161.13272	8.6
163.11194	13.8
163.14879	1.3
165.12785	2.5
167.08557	2.0
167.10754	0.9
167.14305	1.1
168.09428	1.1
169.10130	5.7
171.07993	1.7
171.10344	1.5
171.11636	6.7
173.04488	6.6
173.09669	3.3
173.11794	2.3
173.13298	9.3
175.11174	4.3
175.14856	1.6
177.12706	6.8
179.14255	4.6
181.10085	1.5
181.12228	2.4
183.11746	5.4
185.13268	5.9
187.11263	3.9
187.14821	3.1
189.11250	7.0
189.12691	2.1
191.14337	2.3
193.12311	1.1
195.11726	3.0
195.13863	8.7
197.13240	4.6
199.11264	1.2
199.14894	2.2
201.12849	1.9
201.16447	1.1
205.12202	1.7
207.11711	1.1
207.13873	1.0
209.13300	2.2
211.14905	2.1
213.12828	1.2
213.14755	2.1
215.17989	1.6
216.66487	0.9
217.15860	2.2
219.13885	1.5
221.13306	0.9
223.14874	1.1
227.12779	17.5
229.14272	5.0
229.19572	3.2
233.15440	1.2
235.16846	1.7
239.17990	5.2
245.13864	2.0
247.20641	3.6
251.16469	3.1
253.14304	1.6
255.15907	15.3
257.19012	16.2
259.20575	1.2
267.15936	6.8
269.17484	60.2
273.18478	2.3
275.20071	61.4
291.19489	2.5
293.17947	1.7
293.21158	6.5
301.21652	1.0
303.16034	1.2
313.21832	1.4
321.24487	1.5
331.22629	5.1
341.24634	1.1
341.34915	1.0
347.22275	1.1
349.23770	62.0
350.23904	2.0
365.23526	2.4
367.24829	7.7
373.23846	1.2
389.18259	1.1
395.20496	1.2
413.21628	2.7
419.24338	1.6
423.27396	5.9
431.27875	3.4
433.30884	2.4
435.27399	2.6
439.26822	3.4
445.29434	6.0
447.31183	2.7
449.29044	29.3
451.31824	2.4
463.30618	41.6
469.33389	1.6
477.28979	1.1
503.33923	6.2
513.35754	1.7
515.37305	3.8
519.33307	4.8
525.35944	12.6
527.37244	1.4
529.35437	17.6
531.37189	1.6
541.34863	1.3
543.36847	91.0
544.37573	2.4
545.38452	1.0
547.36334	4.9
549.39624	1.0
555.24292	1.0
559.36261	1.5
561.37854	14.8
593.33197	1.1
605.42041	1.4
607.34857	7.0
609.38623	1.2
623.43085	19.1
641.44165	11.0
647.37805	1.1
651.39764	1.2
659.44952	2.7
663.37329	1.2
687.40778	5.6
705.41809	2.5
767.46826	1.7
785.47723	1.9
997.89105	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5954
Annotation	Unknow
Peak:m/z	Relative Intensity
70.93793	1.0
71.01364	1.6
71.04993	5.7
73.02904	2.6
77.03922	1.3
79.05019	1.9
79.05495	84.2
81.03423	17.6
81.07060	100.0
83.04988	15.5
83.08618	22.6
85.02905	11.5
85.06545	6.5
85.07010	1.2
87.04456	1.2
91.03951	3.4
91.05484	81.1
93.07047	81.1
95.04974	14.1
95.08610	48.8
97.02895	10.2
97.06534	24.4
97.10174	19.9
99.04483	2.7
99.08099	4.7
103.05486	2.0
105.04499	2.6
105.07034	70.6
107.04961	16.9
107.08599	64.5
109.02888	4.6
109.06532	9.4
109.10159	24.9
111.04427	2.2
111.08074	8.0
113.09657	3.1
114.41843	1.1
115.05454	4.5
116.06268	1.5
117.06227	2.3
117.07024	33.6
117.07857	1.8
119.04919	1.8
119.06074	1.8
119.08586	46.4
121.06525	8.2
121.09321	1.8
121.10154	25.8
123.04401	1.5
123.08060	7.3
123.11701	7.6
125.09633	19.3
127.03932	8.1
128.06229	3.9
129.05489	3.1
129.07004	13.6
130.07776	1.7
131.04871	1.5
131.08578	36.6
133.06509	2.9
133.10138	38.9
134.71257	1.0
135.08070	12.5
135.11707	23.9
137.05946	1.3
137.09607	5.0
139.11208	1.4
141.06990	5.0
142.07768	2.0
143.08577	13.3
145.04930	1.5
145.06500	4.1
145.10130	36.5
146.54289	1.1
147.08028	3.8
147.11697	24.4
149.09630	23.5
149.13254	17.3
151.11182	3.8
153.09096	2.9
154.07790	1.5
155.08549	7.7
156.09387	1.3
157.06464	1.6
157.10132	12.0
159.08066	3.5
159.11694	24.1
161.09612	4.6
161.13255	8.7
163.11185	16.8
163.48607	1.1
165.12746	1.5
167.08571	2.6
169.10115	9.6
171.08015	1.4
171.10165	2.9
171.11705	11.6
173.04466	5.0
173.09630	2.6
173.11858	1.8
173.13214	11.1
175.11226	3.5
175.14842	2.6
177.12740	5.9
179.10818	1.1
179.14433	5.8
181.10091	3.7
181.12160	2.2
183.11653	7.7
185.13292	4.9
187.11188	4.1
187.13219	1.2
187.14850	3.4
189.11229	12.1
189.12833	2.7
191.14363	1.5
193.12251	2.5
195.11798	1.9
195.13843	6.2
197.13254	6.2
199.11217	1.6
199.14819	3.1
201.12756	2.2
201.16463	1.1
205.12109	1.4
207.11673	2.2
209.13330	1.7
211.14865	2.7
213.12885	1.6
213.14670	1.3
213.16451	2.1
215.14377	2.5
215.18010	2.0
217.15829	1.1
227.12778	30.9
227.14900	1.6
227.18024	1.3
229.14111	6.5
229.19493	5.2
231.17470	1.7
239.18056	6.5
245.13820	3.9
247.20618	3.9
251.16483	1.6
255.15849	13.1
257.19031	17.4
259.20541	2.6
267.15887	5.1
269.17480	41.2
273.18677	2.5
275.20074	74.4
276.20432	1.7
291.19562	1.9
293.21017	6.4
295.20578	1.1
301.21631	1.4
303.15817	1.4
313.21713	2.7
321.16824	1.4
321.24420	1.4
327.23236	1.6
331.22693	7.7
333.24353	1.9
349.23761	78.3
353.24826	1.3
367.24637	7.2
389.18161	1.6
397.22183	1.4
409.25879	2.0
413.21567	4.5
423.27408	4.4
431.27774	1.7
433.30634	2.2
435.27347	2.6
439.26810	2.2
445.29312	5.0
447.31284	1.4
449.29031	23.7
451.31937	2.2
461.29352	1.8
463.30603	26.0
469.33228	2.1
485.32980	1.2
503.33499	4.9
511.34216	3.1
515.37219	3.1
519.33496	7.6
525.35864	7.4
527.37134	3.1
529.35443	18.2
541.34674	2.0
543.36816	79.5
544.36823	1.5
547.36279	4.6
561.37817	9.8
583.31195	1.9
593.33362	2.7
595.43396	2.9
605.41553	2.9
607.35077	3.3
623.33441	2.0
623.43079	37.8
641.44196	15.3
663.37280	1.9
669.39954	1.4
687.40643	4.9
705.42072	1.8
785.47913	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	1018.595
Annotation	Unknow
Peak:m/z	Relative Intensity
70.78609	2.7
71.01331	2.1
71.05000	8.3
73.02909	3.2
75.60973	1.0
76.27393	0.8
77.03909	1.9
77.20471	0.8
79.05495	87.3
80.05718	0.8
81.03422	18.6
81.07059	99.1
82.07366	0.9
83.04984	17.1
83.08624	19.9
85.02422	1.4
85.02904	18.5
85.06560	5.1
91.03966	4.7
91.05482	100.0
92.05824	1.3
93.03404	1.1
93.07047	90.5
95.04969	19.4
95.08612	60.8
97.02903	14.3
97.06532	17.9
97.10175	16.9
98.16528	1.0
99.04459	3.8
99.08086	5.1
101.02361	1.9
103.03921	1.4
103.05453	3.7
105.04526	2.7
105.07035	85.6
107.04966	13.7
107.08597	60.9
109.02925	4.9
109.06528	11.0
109.10158	28.4
111.04425	3.3
111.08096	8.1
113.06032	1.0
113.09627	1.6
115.05453	6.4
116.06233	2.7
117.07021	34.4
119.04913	1.9
119.08583	65.1
121.06517	8.8
121.10147	33.4
123.04455	1.9
123.08086	10.1
123.11716	8.8
125.09637	12.7
127.03920	9.6
128.06224	7.3
129.05467	4.4
129.07002	22.8
130.07822	2.6
131.04881	1.2
131.08578	46.4
133.06493	3.4
133.10141	53.2
135.08040	8.1
135.11696	19.9
137.06049	1.4
137.09592	8.0
137.13263	1.2
137.99219	1.0
139.11176	2.4
141.06985	9.8
142.07782	4.0
143.08566	19.7
145.04997	5.4
145.06441	3.6
145.10135	39.2
147.08044	5.3
147.11688	31.3
149.06029	1.2
149.09634	17.7
149.13257	14.8
151.11159	4.2
153.06995	1.9
153.09076	1.6
154.07797	1.7
155.08537	12.2
155.10611	1.4
156.09328	2.2
157.10136	22.2
159.08032	4.5
159.11694	34.9
160.12360	1.2
161.09639	4.8
161.13278	15.5
163.06058	0.9
163.11183	14.7
163.14818	2.8
165.09143	1.7
165.12769	2.0
167.08565	4.6
168.09320	2.1
169.10104	12.0
170.10829	1.3
171.08112	1.5
171.10220	2.9
171.11673	18.6
173.04404	4.6
173.09595	3.4
173.11748	2.9
173.13211	16.1
175.11168	5.6
175.14867	6.2
177.12744	6.9
179.08577	2.9
179.14305	5.3
180.09402	1.3
180.10980	1.0
181.10101	8.6
181.12131	1.7
182.10844	1.2
183.11691	11.0
185.09679	1.5
185.13268	13.4
187.11171	3.6
187.13272	1.1
187.14851	5.8
189.09685	1.4
189.11205	8.0
189.12798	2.6
191.14278	1.9
193.10083	1.4
193.12273	1.8
194.10904	1.4
195.11703	5.1
195.13802	6.5
197.09723	1.2
197.13274	8.5
199.14830	7.2
201.12753	2.7
201.16379	3.0
203.14381	2.6
205.12073	1.1
207.11691	2.5
207.13689	1.7
209.13345	5.1
211.11388	1.3
211.14874	5.9
213.12776	2.2
213.14595	1.8
213.16405	4.3
215.17772	1.2
217.15865	1.5
219.11656	2.1
219.13739	1.7
221.13251	2.9
223.14828	3.3
225.11232	1.0
225.16359	2.0
227.12775	17.1
227.17973	2.3
229.14249	8.1
229.16295	1.4
229.19473	4.7
231.20993	1.7
233.15347	1.8
235.14864	2.1
237.16365	2.0
239.18033	5.1
241.19579	7.2
243.15849	1.4
245.13652	2.4
245.19099	1.1
247.16887	1.2
247.20647	2.3
251.16351	1.1
253.14346	3.5
253.17871	1.3
255.15733	5.3
255.44920	1.0
257.19055	13.8
259.20581	22.7
267.15909	3.4
269.17459	32.0
271.20477	1.3
273.18518	3.8
275.17300	1.6
275.20068	46.2
276.20346	2.2
277.21631	2.6
279.21191	1.3
291.19647	3.6
293.17633	1.1
293.21060	3.4
297.22034	2.1
299.20343	1.1
299.23557	1.7
301.21710	1.2
309.22153	1.3
311.23413	1.3
313.21652	2.9
315.23117	4.0
325.21640	1.4
327.23343	1.6
331.22852	2.7
333.24304	19.7
335.25870	3.3
343.22699	1.3
347.22684	1.5
349.23807	36.7
351.25507	1.6
365.23590	2.5
365.28143	1.7
367.25638	1.7
375.25635	1.5
383.24026	1.3
385.23575	1.2
393.27640	1.3
413.21521	1.5
421.30975	1.6
423.27206	1.7
431.27930	3.5
433.30994	2.2
435.32385	2.3
439.32184	1.1
445.29605	3.3
447.31076	1.5
449.28989	4.8
451.31992	2.0
453.33777	1.4
463.30685	7.7
469.32767	1.7
471.35245	1.1
475.30344	1.5
487.34497	2.2
495.34973	1.6
501.35703	1.9
503.33521	2.8
509.36221	2.8
513.35883	24.1
515.37866	4.2
525.36005	4.6
527.37402	19.6
529.34949	3.0
531.36749	1.5
533.39740	2.2
541.35352	1.3
543.36804	21.0
545.38495	2.3
551.40540	1.4
555.36725	1.4
560.36176	1.1
561.37390	3.5
589.42401	1.6
597.45264	1.2
607.34198	2.0
607.43536	26.0
608.43085	1.3
623.43188	7.4
625.44574	28.0
626.44989	2.0
641.43408	3.5
651.38708	1.4
671.42444	1.4
685.43781	1.3
687.40210	2.1
689.42255	1.8
879.97742	1.5
1018.53522	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5946
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01366	1.0
71.04994	5.5
73.02926	5.0
77.03931	2.7
78.04736	0.6
79.05496	86.6
81.03422	16.9
81.07059	92.4
83.04984	15.0
83.08620	15.8
85.02908	25.1
85.03436	1.1
85.06528	3.8
87.04493	0.9
91.03970	9.6
91.05483	100.0
93.07047	80.4
93.07523	1.0
94.07369	0.6
95.04975	18.0
95.08610	57.6
96.04513	1.0
97.02893	20.9
97.06538	13.5
97.10175	6.6
98.09701	2.2
98.21506	1.2
99.04460	3.9
99.08089	6.0
101.02359	1.6
103.03944	1.3
103.05492	4.3
105.04560	4.8
105.07034	84.1
107.04967	8.3
107.08598	43.6
109.02869	4.1
109.06533	8.5
109.10163	21.0
111.04436	2.6
111.08083	6.2
111.11744	0.7
113.06013	0.7
113.09641	1.6
115.03948	1.4
115.05455	7.0
116.06236	2.5
117.07021	40.7
118.07827	0.8
119.08586	60.1
120.05712	0.7
121.06533	5.4
121.10149	31.0
123.04433	0.9
123.08086	6.9
123.11712	6.2
125.06011	0.7
125.09618	4.4
127.03920	8.4
127.07578	0.9
128.06229	8.5
129.05551	5.7
129.07013	25.3
130.07816	2.9
131.04910	0.9
131.08575	46.7
132.09253	0.9
133.06491	3.4
133.10136	46.8
135.08054	6.9
135.11699	18.7
137.05954	0.7
137.09627	5.3
137.13222	1.8
139.07544	1.1
139.11195	1.6
141.06979	8.0
142.07780	5.3
143.08566	24.6
144.06638	0.8
144.09296	2.1
145.04973	8.0
145.06456	2.5
145.10127	38.3
147.04405	0.8
147.08009	3.4
147.11693	33.1
149.09628	11.8
149.13272	16.0
151.11214	3.4
153.06952	1.7
153.09085	1.2
154.07796	2.0
155.06038	0.7
155.08557	14.3
156.09305	2.6
157.08789	1.0
157.10135	23.6
159.08133	2.9
159.11696	28.9
160.12422	0.7
161.05899	0.8
161.09662	4.2
161.11971	1.0
161.13264	16.5
163.05968	1.7
163.07472	0.8
163.11174	6.4
163.14789	2.5
165.06979	2.1
165.09106	1.7
165.12738	2.4
166.07790	1.4
167.08545	4.7
167.10695	0.7
168.09296	2.1
169.10150	16.0
170.10835	1.2
171.08067	1.3
171.10434	0.8
171.11690	19.6
173.04454	2.1
173.09547	1.8
173.11797	1.6
173.13254	15.6
175.11214	3.1
175.14839	5.5
177.12718	4.5
177.16318	0.7
178.07892	0.7
179.08604	2.8
179.10625	1.3
179.14323	3.6
180.09256	0.9
181.10100	8.6
182.10849	1.9
183.11714	14.4
185.09595	0.7
185.11656	1.3
185.13257	11.9
187.11194	3.1
187.13266	1.2
187.14787	6.3
189.11143	1.5
189.12740	2.7
189.16347	1.5
193.10109	2.9
193.12086	1.3
194.10844	1.0
195.11685	6.9
195.13760	5.4
197.09581	0.7
197.11484	0.7
197.13249	10.2
198.13974	0.7
199.11209	1.2
199.14813	7.8
201.12715	1.7
201.16339	2.1
203.14218	1.6
203.17871	1.2
205.10097	0.7
205.15932	1.1
207.11694	2.4
207.13818	2.5
208.12379	0.8
209.11774	0.6
209.13330	5.8
211.11089	0.9
211.14813	6.6
213.12881	1.1
213.14563	1.2
213.16478	4.8
215.14250	1.8
215.17912	1.9
217.15802	1.2
219.11624	0.9
219.13718	0.8
221.13165	2.6
221.15117	0.7
223.14847	3.8
225.11011	0.9
225.16420	3.5
227.12737	2.3
227.17908	2.5
229.14085	1.1
229.19516	3.0
231.17462	1.4
231.21088	2.9
233.13301	0.9
233.15404	1.1
235.14767	2.6
237.12552	0.7
237.16423	3.6
239.17990	4.4
241.15820	0.8
241.19638	9.4
243.12112	1.3
243.17564	0.8
247.14883	0.8
247.20557	2.0
249.16382	0.7
249.52682	0.6
251.18192	1.2
251.81847	0.6
255.17590	1.1
257.19009	8.6
259.17676	1.0
259.20581	21.4
261.22174	2.8
265.19467	1.7
267.15869	2.4
269.17453	17.8
271.16794	0.7
271.20465	1.2
273.18475	2.1
273.22049	1.0
275.20084	14.6
277.21606	1.8
279.15485	0.8
281.17316	4.0
281.29309	0.6
283.20517	1.5
285.21896	1.3
287.20160	0.8
287.23569	1.1
289.21777	0.7
291.19263	0.7
295.20377	1.7
297.21967	2.2
299.19998	1.3
301.21402	1.6
303.15768	0.7
309.21973	1.6
311.23630	1.5
313.21497	1.8
315.23285	3.6
317.24802	0.8
321.21927	1.2
323.19916	0.8
323.23575	2.1
325.21494	1.0
325.25137	1.8
327.23026	2.0
329.24588	0.9
331.22607	2.0
333.24271	20.0
335.25644	3.7
337.24936	1.0
339.23047	2.0
339.26712	1.0
341.24728	1.3
347.22379	1.0
349.23782	9.4
351.26187	1.0
363.26892	1.2
365.24066	0.7
365.28238	0.7
367.26263	0.7
377.28125	1.0
379.29968	0.9
391.29990	0.8
393.27200	1.3
394.61844	0.7
409.30807	1.2
417.31168	2.0
421.30908	1.1
427.28479	1.1
429.29941	0.9
433.30530	1.1
435.32736	3.9
439.32068	0.7
445.29251	0.8
447.31726	0.7
453.33688	3.0
463.30356	3.1
469.31973	0.7
471.34412	1.6
473.32764	0.7
475.30301	3.3
487.34167	0.8
489.35458	0.8
501.35266	1.7
509.36050	1.0
513.35748	4.8
515.37677	2.9
517.40326	3.2
525.35101	1.8
527.37384	21.3
533.39111	1.2
535.41290	1.2
539.37189	2.9
543.36450	2.6
545.38159	3.5
555.36945	0.9
557.37781	1.4
567.40265	1.3
591.44116	3.1
597.44995	0.9
607.43512	7.9
609.45135	34.6
625.44666	7.2
635.38031	0.6
653.39154	0.9
771.49011	2.1
789.16260	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5935
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04991	3.2
73.02911	5.5
77.03902	1.4
79.05491	52.0
81.03417	9.0
81.07056	61.5
83.04971	6.7
83.08614	13.7
85.02904	22.3
85.06532	2.3
87.04458	3.1
91.03949	6.5
91.05476	36.6
93.07041	49.0
95.04963	8.2
95.08604	46.9
97.02893	11.8
97.06530	6.1
97.10173	15.6
98.21505	5.5
99.04413	1.5
99.08110	2.9
103.03925	1.7
105.07024	18.6
107.04948	4.8
107.08595	26.6
109.06516	3.5
109.10152	63.4
111.04394	2.2
111.08099	4.5
113.06035	1.5
117.07019	7.1
119.08576	21.0
121.10134	23.3
123.08090	2.9
123.11690	4.2
125.09640	14.8
127.03907	4.2
128.06171	1.3
129.05475	1.7
129.06981	3.2
131.08542	10.9
133.06583	1.3
133.10114	11.2
135.08087	2.1
135.11687	14.6
137.09639	2.9
137.13293	2.5
143.08562	1.6
143.10768	1.9
145.04974	4.0
145.10136	12.8
147.11685	7.8
149.09637	1.8
149.13226	7.7
153.12741	3.7
155.10710	4.2
157.10025	2.9
159.11635	6.8
161.13290	4.5
163.06035	3.4
163.11197	9.9
163.14793	3.6
173.09677	1.3
173.10341	1.9
173.11742	15.5
173.13266	5.7
175.14871	1.5
181.12218	2.6
185.13254	1.4
187.14774	3.0
191.10634	1.7
199.13260	6.3
209.11646	7.0
211.13329	2.5
217.14243	1.9
227.12764	8.3
229.14333	52.7
243.21080	4.3
257.13834	4.3
261.22137	24.4
267.15961	8.9
275.20084	1.9
277.21655	3.2
283.15283	4.2
293.21304	1.7
299.23526	1.7
301.16452	16.6
315.23105	1.8
317.24792	5.5
327.23318	1.7
333.24005	1.7
335.25781	100.0
336.26379	2.6
371.21939	1.5
399.23828	14.7
477.35800	7.8
489.35724	28.2
543.36627	5.6
561.37860	12.2
579.39026	7.7
659.45154	45.6
1027.31311	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1016.5794
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	0.8
73.02900	1.0
75.82067	0.6
77.03919	1.6
78.93742	0.7
79.05501	50.4
81.03426	13.2
81.07063	51.6
81.27168	0.6
83.04989	10.1
83.08156	0.7
83.08626	13.5
85.02913	7.1
85.06524	3.0
87.04476	0.8
91.03950	1.3
91.05488	50.1
92.05808	0.9
93.07053	45.5
95.01300	0.9
95.04984	17.0
95.08619	25.1
97.02896	12.7
97.06547	12.5
97.10172	19.6
99.04498	1.5
99.08077	2.2
103.05456	2.3
105.03384	0.8
105.04517	1.5
105.07040	36.5
107.04292	1.2
107.04966	16.5
107.08608	31.3
108.05737	1.0
109.02875	2.9
109.06531	7.7
109.10169	16.4
111.04458	2.0
111.08088	4.7
112.05204	0.7
113.06013	1.4
113.09656	1.0
115.05473	2.8
116.06226	0.8
117.07027	19.2
119.04958	1.9
119.06039	0.9
119.08596	26.3
120.05701	1.4
121.06516	6.9
121.10152	12.5
122.07279	0.8
123.04427	1.6
123.08060	6.1
123.11712	3.4
125.09637	15.6
127.03959	3.1
128.06267	3.6
129.07025	9.4
130.07747	1.4
131.08578	20.8
132.27924	0.7
132.99623	0.7
133.06522	5.0
133.10146	18.9
134.07304	1.0
135.08067	8.1
135.11688	9.1
137.09624	3.8
139.07553	0.7
139.11183	1.2
141.06978	2.8
142.07834	1.6
143.08583	7.7
145.04953	0.9
145.06465	2.5
145.09045	1.2
145.10144	16.8
147.08052	9.0
147.11693	10.1
149.09648	9.0
149.13260	6.2
151.07564	0.8
151.11194	2.8
153.09126	1.6
154.07727	0.8
155.06082	0.8
155.08560	2.8
155.10603	0.8
157.10167	7.3
159.08086	2.9
159.11705	11.6
161.09621	5.0
161.13275	3.6
161.50534	0.7
162.10382	0.9
163.11194	8.0
163.14798	0.9
165.09140	1.8
167.08655	0.9
168.09351	0.8
169.10135	2.7
169.12297	1.1
171.10287	1.7
171.11690	6.3
173.09651	1.6
173.11833	1.0
173.13251	5.6
175.11253	3.7
175.14784	1.4
177.12766	3.3
179.14322	2.1
181.12245	1.2
183.11684	2.0
185.13249	2.4
187.11215	1.8
187.14832	1.9
189.11230	7.5
189.12764	1.5
191.14436	0.7
193.12305	1.8
195.11935	1.2
195.13806	4.1
197.13272	2.3
199.11226	0.8
199.14873	1.4
201.12712	1.1
201.16490	0.8
203.14421	1.0
205.12233	2.5
211.13158	1.0
215.14421	1.0
217.15845	1.5
219.13811	0.8
223.13309	20.5
225.12698	0.8
227.10533	1.1
227.12805	21.2
227.17929	2.5
229.14287	1.5
229.19557	1.8
233.15410	1.6
237.16490	1.0
239.17996	2.0
241.19633	0.7
245.13821	0.8
245.18993	1.6
247.20570	1.4
249.14871	3.8
251.16472	1.1
253.14278	3.7
253.18114	1.1
255.15625	3.4
257.19046	6.7
259.20609	2.0
263.19690	0.7
267.15924	3.1
269.17508	13.1
273.18530	17.1
275.20078	27.9
276.20551	1.0
279.15915	1.0
285.17178	0.8
291.19562	100.0
292.19781	1.3
293.21164	2.6
315.23145	1.5
321.24472	1.0
329.20999	1.2
331.22699	3.4
333.24271	4.2
347.22360	4.3
349.23782	28.0
365.23276	46.7
367.24783	1.4
381.22714	4.2
413.21774	1.6
439.27301	0.8
456.63730	0.7
461.28860	2.7
477.28464	1.2
479.30106	1.0
517.31390	0.9
519.33472	5.6
527.34058	1.7
535.32831	4.0
541.35162	5.1
543.37250	1.4
545.34882	12.9
559.36365	50.0
560.36603	1.8
621.41553	4.5
623.42865	0.9
639.42596	65.2
640.43024	2.3
657.43622	6.6
667.38934	1.0
679.35968	1.0
703.40692	3.4
765.45654	0.8
783.46655	1.1
801.47723	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1016.5791
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04438	1.0
71.05008	4.7
73.02896	1.4
77.03893	1.3
78.40148	0.8
79.05499	40.9
81.03422	13.0
81.07059	53.0
83.04978	8.8
83.08147	1.2
83.08620	14.2
85.02899	4.7
85.06526	2.7
91.03950	1.4
91.05483	40.3
93.07047	38.4
95.04977	11.8
95.08607	20.8
97.02886	10.6
97.06538	10.1
97.10180	13.4
99.04447	1.1
99.08094	2.0
103.05463	1.8
105.04521	2.1
105.07036	31.4
107.04969	12.3
107.07873	1.5
107.08600	29.0
109.02869	2.6
109.06505	5.3
109.10168	17.8
111.04487	1.0
111.08079	4.1
111.11654	1.1
113.09679	0.9
115.05476	2.6
116.06233	1.1
117.07023	13.5
119.04922	2.2
119.08585	19.5
121.06514	6.2
121.10140	13.3
123.04436	1.5
123.08047	6.1
123.11703	3.9
125.09636	10.3
127.03904	2.9
127.07529	0.8
128.06276	1.2
129.05484	1.2
129.07002	5.6
130.07784	0.8
131.08574	15.7
133.06520	4.0
133.10136	22.9
134.07272	1.2
135.08049	7.7
135.11707	10.3
137.09639	3.0
141.06984	1.6
142.07808	1.2
143.08592	6.3
145.06503	1.2
145.10136	15.7
147.08064	7.8
147.11702	9.1
149.09619	8.8
149.13263	9.4
151.11200	5.8
152.05679	14.2
153.09111	1.6
155.08566	1.9
157.06523	0.8
157.10141	6.6
159.08104	2.0
159.11708	10.6
161.09634	4.0
161.13239	3.4
162.10417	1.1
163.11226	5.5
165.09100	2.1
165.12761	1.1
167.08557	1.1
169.10117	1.3
169.12186	0.9
171.10320	1.5
171.11728	3.2
173.04439	1.0
173.09621	1.5
173.13278	3.3
175.11217	3.2
177.12778	3.3
179.10803	1.2
179.14342	1.5
181.12257	1.7
183.11707	1.4
185.09743	1.3
185.13226	2.1
187.11230	1.3
187.14925	0.9
189.09683	1.1
189.11240	5.6
189.12730	1.6
191.14348	1.1
193.12253	1.1
195.13818	3.3
197.13261	1.3
199.14862	0.9
201.12785	1.6
205.12285	2.3
211.14836	0.9
223.13278	15.7
227.12776	10.8
227.14648	1.1
227.17947	2.0
229.14363	1.1
229.19528	0.9
239.17921	1.7
245.18962	2.5
247.20416	1.1
249.14932	3.4
253.14366	10.0
255.15669	5.1
257.19012	6.0
263.20148	1.1
267.15887	3.7
269.17462	24.6
273.18494	16.3
275.20068	18.3
276.20645	0.9
285.17044	1.0
291.19550	90.5
292.19873	2.1
293.21072	1.0
309.20612	2.2
321.24402	0.7
331.22879	1.3
347.22159	5.6
349.23761	18.5
365.23230	49.9
366.23282	1.0
367.24872	2.4
413.21729	1.0
414.84793	0.8
447.27814	1.1
449.30148	1.0
461.29102	2.6
465.28299	1.8
467.31241	1.2
477.28366	1.1
519.33276	3.0
527.34058	1.6
535.32574	1.4
541.35272	6.5
545.26813	1.5
545.34790	21.8
559.36304	100.0
560.36517	2.3
575.35901	0.9
599.39105	1.6
621.41504	3.7
639.42554	29.8
657.43427	7.3
692.45752	3.1
702.17340	0.8
703.40784	3.8
801.48315	1.3
854.50964	2.5
1029.93921	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1016.5788
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01352	0.9
71.04991	2.9
71.26734	1.6
73.02914	1.5
77.03914	1.0
79.05495	36.2
81.03419	8.6
81.07060	34.4
83.04980	7.8
83.08617	9.9
85.02903	5.0
85.06534	1.2
91.03944	1.8
91.05483	40.5
93.07047	31.9
93.07570	0.7
95.01335	0.8
95.04971	10.7
95.08609	19.8
97.02882	9.6
97.06539	6.8
97.10171	11.5
99.04475	0.8
99.08062	1.5
103.05425	1.2
105.04523	1.6
105.07036	33.6
107.04980	7.5
107.07872	1.2
107.08601	23.0
109.06523	4.4
109.09467	1.0
109.10165	13.2
111.04424	0.9
111.08080	3.8
115.05482	1.7
117.07030	15.7
119.04942	1.6
119.08580	23.6
121.06503	4.3
121.10149	12.3
123.04423	1.3
123.08053	4.9
123.11695	3.4
125.09648	9.4
127.03902	2.9
128.06233	2.1
129.05464	1.3
129.07004	8.3
130.07765	0.9
131.08572	18.1
133.06544	4.1
133.10132	18.7
135.08037	5.0
135.11697	7.7
137.09633	3.7
139.11166	1.3
141.06978	2.3
142.07796	1.2
143.08557	6.9
145.05025	1.4
145.06473	0.9
145.09068	0.9
145.10130	13.3
147.08072	6.1
147.11673	11.1
147.38394	0.7
149.09657	6.3
149.13284	6.8
151.11157	2.4
153.09129	1.7
155.08528	2.8
155.38995	0.9
157.06429	1.1
157.10127	7.3
159.08031	1.2
159.11703	10.2
161.09636	3.2
161.13260	7.4
162.10419	1.0
163.11182	2.4
165.09140	1.6
165.12709	1.0
167.08554	1.0
169.10136	3.0
169.12227	1.1
171.07982	0.9
171.10260	1.3
171.11649	5.7
173.09663	1.1
173.11865	1.6
173.13264	5.6
175.11194	2.9
175.14835	2.5
177.09103	0.8
177.12778	2.1
179.14337	0.9
181.10158	1.6
183.11693	2.8
185.13239	5.2
187.11246	1.3
187.14812	2.3
189.11243	5.7
189.12717	1.4
193.12244	1.5
195.11812	1.5
195.13837	2.9
197.13316	1.4
199.10939	0.8
199.14745	1.9
201.12613	0.8
205.12254	2.7
207.13832	1.1
209.13339	1.1
211.15077	0.8
212.61877	0.8
213.16464	0.9
217.15845	1.3
223.13290	15.9
225.16405	1.3
227.12735	9.9
229.19453	1.1
237.16341	1.0
239.18018	2.3
241.19484	4.3
245.13805	1.0
245.19019	1.0
249.14847	3.2
253.14299	6.6
257.18954	3.3
259.20596	13.7
263.19977	1.3
267.15964	1.6
269.17505	12.0
273.18518	12.9
275.20078	9.3
289.18057	1.1
291.19547	100.0
292.19824	2.9
299.23700	1.0
307.19339	0.8
309.20535	1.0
315.23080	2.1
331.22736	1.2
333.24243	17.5
335.25824	1.7
347.22110	2.1
349.23843	6.8
359.72006	0.8
365.23257	36.3
379.21298	0.8
379.29843	2.3
411.68423	0.8
451.32309	1.2
461.29190	0.9
485.31744	0.8
513.36847	0.8
525.35980	2.5
529.35229	1.6
541.35046	1.9
543.36908	4.0
549.39709	1.3
559.36328	25.9
571.36261	1.3
605.42133	5.0
623.33350	1.4
623.43097	26.1
639.42517	8.0
641.43927	2.8
657.43469	1.7
976.04877	0.9
1016.55701	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.6159
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05007	3.6
71.08620	0.8
71.53360	0.9
71.53738	0.5
73.02904	1.5
73.06571	0.5
77.03924	1.0
79.05493	44.6
81.03413	4.0
81.07058	64.4
82.07390	0.8
83.04987	4.0
83.08623	11.2
85.02904	5.5
85.06549	2.7
91.03963	3.9
91.05485	29.4
93.07044	49.1
95.04964	5.8
95.08611	40.7
97.02895	3.0
97.06524	6.8
97.10172	6.7
99.04452	0.6
99.08082	1.8
105.04530	1.7
105.07036	23.2
107.04961	4.4
107.08598	33.1
109.02834	0.6
109.06519	3.6
109.10157	42.7
111.08070	3.5
113.06026	0.7
113.09652	0.6
115.05466	1.4
117.07018	10.3
119.06135	0.7
119.08587	18.9
121.06506	2.2
121.10152	19.4
123.08057	2.3
123.11713	6.9
125.09638	5.6
127.03938	1.3
128.06230	0.6
129.07019	2.0
131.07597	0.8
131.08574	13.4
133.06429	0.9
133.10135	16.3
135.08064	3.5
135.11703	12.7
137.09642	3.0
137.13263	0.9
139.11194	1.1
141.07008	1.1
143.08565	2.5
145.04938	1.2
145.10118	12.2
147.08083	0.9
147.10654	0.9
147.11697	9.8
149.09616	5.2
149.13254	9.5
151.11194	1.7
155.08566	1.5
155.10625	3.0
157.10143	2.2
159.11703	8.5
161.09566	0.7
161.13261	4.9
163.05997	2.2
163.11212	3.2
163.14841	2.1
165.12773	1.4
169.10106	1.6
171.11665	3.0
173.11740	6.2
173.13277	6.3
175.11246	0.6
175.14819	2.5
177.12747	2.2
177.16370	1.0
179.14330	1.1
183.11694	1.9
185.13303	1.8
187.11198	0.9
187.13329	0.7
187.14732	2.9
189.11238	1.9
195.13826	1.5
197.13292	1.5
201.16415	1.5
202.96962	0.6
215.18089	0.7
219.17464	0.9
223.14847	0.7
227.12772	5.0
229.14369	30.0
229.19522	1.2
230.14604	0.7
231.39357	0.6
239.17949	1.0
241.19519	0.9
243.21153	3.6
247.20543	0.9
257.19006	4.1
259.20605	1.9
261.22125	12.3
267.15872	0.7
269.17502	11.4
275.20081	16.6
277.21661	0.8
293.18124	0.6
293.21176	2.6
299.23358	0.7
312.67245	0.6
317.24802	2.1
331.22702	1.9
333.24228	1.2
335.25806	100.0
336.26257	2.1
349.17242	0.7
349.23776	15.7
367.24805	12.2
369.23926	0.6
373.18338	0.7
397.31119	1.3
413.21664	1.7
417.30710	0.6
437.33884	1.0
455.35309	0.7
471.34821	1.6
487.34235	0.6
489.35760	39.4
490.36026	0.9
505.35117	1.9
507.37021	4.7
511.37680	1.1
513.40027	0.8
515.37225	1.1
529.38898	43.8
530.39160	1.6
535.41528	1.0
547.39868	1.6
591.43958	0.8
609.45148	48.9
610.45807	1.4
627.46252	29.7
628.46436	0.8
633.40161	2.8
651.40344	0.9
655.42291	1.1
673.42999	2.9
727.01794	0.7
889.75366	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.6002
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04988	6.8
71.17859	1.6
71.18187	2.3
73.02932	4.3
77.03923	1.9
79.05498	89.2
81.03426	16.6
81.07061	87.1
83.04992	9.9
83.08625	19.7
84.02795	1.5
85.02908	16.2
85.06559	3.9
91.03957	5.5
91.05484	100.0
93.07050	89.1
94.07367	2.1
95.04974	15.2
95.08613	58.3
97.02918	12.1
97.06534	15.0
97.10181	13.0
99.08090	4.2
101.02403	1.5
103.05490	5.2
105.04531	3.5
105.07038	93.5
107.04970	9.6
107.08600	52.3
109.02904	2.2
109.06542	6.4
109.10165	29.4
111.04481	1.9
111.08086	6.0
113.09670	2.5
115.05466	6.0
116.06234	2.3
117.07030	34.6
119.08591	69.8
121.06520	5.8
121.10149	36.0
123.08076	5.7
123.11726	6.9
125.09642	11.9
127.03880	4.3
127.07626	1.6
128.06212	6.0
129.05496	2.4
129.07008	21.0
130.07806	2.0
131.04907	2.1
131.07591	2.8
131.08580	51.2
133.06529	2.6
133.10143	50.7
135.08078	8.1
135.11690	25.4
137.09584	3.3
137.13243	1.7
139.11258	2.1
141.06992	8.2
142.07799	6.0
143.08572	26.5
144.09344	2.4
145.04964	2.1
145.06503	3.4
145.10130	42.0
147.08072	5.6
147.11705	44.0
149.09659	11.3
149.13310	15.3
151.11209	4.0
153.07043	1.9
155.08559	16.2
156.09314	2.0
157.10120	23.8
159.08072	3.5
159.11699	31.5
161.09633	3.3
161.13252	22.8
161.14449	2.1
163.11211	8.7
163.14847	4.3
165.12747	4.1
167.08598	6.6
168.09297	2.9
169.10132	16.1
171.08092	1.7
171.10258	2.7
171.11687	24.5
173.04504	3.5
173.09605	1.9
173.11887	2.6
173.13283	14.1
175.11212	3.0
175.14844	9.8
177.12787	2.9
177.16454	2.0
179.08528	2.3
179.14384	2.7
181.10121	7.0
183.11714	15.5
185.09598	1.9
185.13261	18.4
187.11153	2.0
187.14873	7.4
189.11197	4.7
189.12749	2.7
191.14259	1.9
193.10170	4.0
194.10941	1.5
195.11726	10.9
195.13763	2.5
197.13258	11.3
199.14819	10.0
201.16408	2.5
203.14302	1.9
207.11685	3.9
209.13264	7.9
211.14867	5.4
213.12833	1.4
213.16426	4.6
219.11725	2.6
221.13327	3.5
223.14828	6.1
225.16478	4.2
227.12811	5.5
227.18048	2.7
229.14258	6.7
229.19463	2.5
231.21152	3.9
235.14883	2.3
237.16383	2.5
239.17993	6.3
241.19554	17.8
243.21002	1.7
245.13774	1.8
247.20880	2.0
251.18147	2.1
253.14243	1.6
255.15932	4.7
257.19080	8.8
259.20566	44.4
261.22278	3.3
263.20187	1.9
267.15945	3.8
267.21173	1.4
269.17386	13.0
273.18576	4.4
275.20074	24.6
275.44962	1.5
276.20621	1.8
277.21671	2.0
285.22025	2.3
289.21924	1.4
291.19485	2.9
295.20447	1.7
301.21768	2.6
313.21793	2.0
315.23279	5.8
323.23477	2.7
325.21857	2.5
327.23077	2.2
329.25073	1.7
331.22775	3.4
333.24261	53.3
335.26074	3.9
337.25516	1.9
341.24628	1.9
347.22955	1.7
349.23831	23.4
351.25186	2.5
353.24738	2.5
363.26440	2.0
365.23730	2.8
365.28387	3.5
367.25275	2.9
369.62286	1.5
381.31766	2.4
403.29913	2.5
413.21448	1.7
417.31558	2.4
419.72305	1.8
421.31110	4.0
433.30560	2.7
435.32153	8.7
439.32242	3.2
447.32465	1.5
453.33618	3.4
471.34610	2.8
485.32770	2.8
487.34122	2.1
489.36646	1.5
491.35510	1.5
501.35968	1.8
505.34863	2.0
509.36163	5.8
513.35828	38.5
515.38208	5.4
525.35663	3.5
527.37378	50.4
528.38190	2.1
531.36713	5.1
533.39532	6.1
539.37012	2.3
541.17334	1.6
543.36664	3.3
545.38452	10.2
551.40332	3.5
555.36609	1.5
567.40198	2.6
589.41986	3.7
597.44843	3.0
607.43610	74.2
608.44189	2.6
625.44580	72.5
626.44617	3.3
635.38690	3.5
643.44769	3.1
671.41345	3.1
689.42792	7.1
707.44647	2.0
751.46960	2.1
769.49225	7.0
787.49591	3.5
861.52936	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	1002.5996
Annotation	Unknow
Peak:m/z	Relative Intensity
70.55946	0.6
71.01323	0.9
71.04992	6.4
71.08631	1.2
73.02910	5.5
77.03929	3.0
78.04728	1.2
78.26501	0.8
79.05492	85.3
80.06256	0.9
81.03416	15.2
81.07056	96.7
83.04984	11.8
83.08614	19.3
85.02906	22.8
85.06537	5.0
91.03953	11.3
91.05480	100.0
92.05767	1.1
93.03365	1.0
93.07043	91.0
95.04971	15.3
95.08605	76.9
96.08932	1.4
97.02890	18.8
97.06528	13.3
97.10166	9.1
98.20776	1.2
99.04462	2.8
99.08098	4.7
101.02399	1.3
103.03970	1.2
103.05478	3.8
104.06296	1.3
105.04518	3.0
105.07030	94.6
106.07378	0.9
107.04960	7.9
107.08594	56.6
108.08913	0.7
109.02859	4.2
109.06510	7.7
109.10155	28.3
110.27914	0.8
111.04468	2.1
111.08067	7.4
111.11685	1.4
113.06013	1.1
113.09650	1.8
115.03921	1.2
115.05449	8.5
116.06236	1.9
117.07016	44.5
119.04944	1.5
119.08578	68.2
121.06528	4.7
121.10145	34.9
123.04454	0.7
123.08069	6.3
123.10907	1.2
123.11713	8.6
125.09628	6.1
127.03913	10.2
128.06200	8.5
129.05547	5.2
129.07002	30.9
130.07756	3.3
131.04909	1.0
131.08565	55.6
132.35393	0.7
133.06520	4.1
133.10130	54.3
135.08069	6.6
135.11697	24.6
137.09613	3.7
137.13261	2.4
139.07573	0.8
139.11163	1.7
141.06985	11.2
142.07791	7.3
143.08560	33.8
144.09354	1.7
145.04962	8.0
145.06467	2.5
145.10124	50.0
147.08061	4.0
147.11684	39.6
149.09613	10.0
149.13249	15.6
151.07547	0.9
151.11162	2.6
153.07005	3.3
153.09109	0.8
153.12692	1.5
154.07773	2.9
155.05988	0.9
155.08542	17.9
156.09337	2.4
157.06544	0.9
157.10130	30.0
158.10847	0.9
159.08061	3.5
159.11690	37.6
160.12418	0.8
161.09595	4.5
161.13264	20.2
163.06027	4.4
163.11163	5.9
163.14807	3.7
165.07021	1.8
165.09180	1.2
165.12782	3.0
166.07771	1.2
167.08543	9.1
168.09317	2.9
169.10124	23.4
170.10890	1.6
171.08037	1.6
171.11685	30.4
172.12410	1.0
173.04475	3.1
173.09605	2.7
173.11790	2.1
173.13255	21.3
175.11255	3.6
175.14809	10.3
177.12767	4.2
179.08598	3.5
179.10704	1.1
179.14319	2.3
180.09332	1.5
181.10104	11.1
182.10921	2.2
183.08118	0.8
183.11690	23.4
184.12451	1.3
185.09613	2.1
185.11621	1.2
185.13258	19.5
186.10516	0.8
187.11162	2.5
187.14798	9.1
189.11255	1.6
189.12729	2.8
189.16415	3.4
191.08626	0.8
191.14313	2.3
192.09155	0.7
193.10155	4.2
193.12103	1.5
194.10834	0.9
195.10143	0.7
195.11691	12.8
195.13774	3.6
196.12405	1.2
197.09560	0.9
197.13254	16.7
198.13867	1.1
199.11339	1.6
199.13229	1.0
199.14807	10.4
201.12752	2.5
201.16331	4.5
203.14249	1.9
203.18018	1.9
205.10101	1.8
205.12029	0.8
207.09978	1.0
207.11736	4.0
207.13503	0.8
208.12550	1.0
209.13269	11.9
209.15134	1.1
210.13992	1.4
211.11288	1.2
211.14821	10.3
213.12737	1.9
213.14781	1.5
213.16469	7.9
215.14362	1.8
215.17900	3.1
217.15891	2.2
219.11647	1.5
221.13309	4.4
221.15120	0.8
223.14836	7.3
225.16451	5.8
227.12759	2.8
227.18152	5.0
229.14197	5.4
229.19524	3.4
231.17407	1.7
231.21042	3.1
233.13232	2.0
233.15425	1.3
235.14894	3.7
237.16429	6.0
239.17957	6.4
241.19612	15.4
243.12238	1.6
243.17572	1.4
243.21042	1.1
245.13417	1.1
245.18948	1.6
247.20531	0.8
249.16441	1.8
249.18594	0.9
251.17946	3.2
253.19510	2.4
255.17499	1.5
257.19009	9.8
259.20587	29.7
261.22153	3.8
263.17822	1.7
263.20273	1.0
265.19437	2.2
267.15906	2.6
267.21121	1.2
269.17404	14.7
271.16956	0.7
271.20499	2.2
273.18451	3.4
273.21954	1.3
275.17746	0.8
275.20135	10.8
277.21588	2.5
279.21060	1.1
281.18832	1.2
283.17145	0.7
283.20370	3.9
284.17752	0.8
285.22211	1.8
287.19998	1.3
289.21725	1.4
291.19635	1.1
295.20456	2.4
297.18240	1.1
297.22043	2.8
299.19980	2.5
299.23434	1.6
301.21771	1.6
303.23056	1.0
307.20459	1.3
309.22150	2.3
311.20139	1.0
311.23584	2.9
313.21545	3.0
313.24872	1.0
315.23187	6.2
321.22122	2.2
323.23544	2.9
325.21594	2.4
325.25241	1.8
327.23169	1.5
329.24643	0.9
331.22659	2.7
333.24268	30.8
334.24667	1.0
335.26096	7.3
337.21445	0.9
337.25241	1.5
339.22998	2.3
339.26779	1.6
341.24637	2.4
345.24484	1.2
347.22726	1.2
349.24002	8.7
351.26605	2.0
353.24719	1.8
355.26190	1.0
357.24289	0.9
359.25937	0.9
361.24857	0.8
363.26453	2.1
365.24545	2.0
365.28549	1.5
367.22162	1.3
367.26306	1.4
375.26587	1.3
377.27991	1.4
379.25934	1.4
379.30118	1.1
381.27536	2.0
385.24020	0.8
391.30093	1.4
393.27551	1.2
395.29227	1.0
405.31549	1.3
407.28851	1.1
409.31064	1.2
415.28973	1.2
417.31119	2.7
419.28610	1.4
421.30777	2.7
423.32492	0.9
429.30487	1.1
433.30548	1.5
435.32581	7.6
445.29587	1.5
447.32285	1.8
449.34125	0.9
453.33975	4.6
459.31268	2.1
461.33704	1.1
463.32101	0.9
464.90686	0.8
471.34436	2.2
473.32867	2.5
483.34775	1.4
485.32343	1.2
487.33981	3.0
489.35461	2.4
495.34760	1.0
497.36612	1.7
499.33463	1.4
499.39716	1.3
501.35281	3.2
509.35971	2.3
513.35889	10.9
514.36194	0.9
515.38220	4.7
517.40521	7.5
525.35394	2.8
527.37317	29.1
529.39148	1.6
531.36188	0.8
533.39417	2.2
535.41815	3.5
539.36945	3.4
543.36359	1.7
545.38531	5.8
553.39587	0.9
557.38025	1.1
567.39923	1.9
591.44208	8.4
593.37549	0.9
597.44995	1.0
607.34235	1.0
607.43494	16.6
609.45105	83.2
610.45374	3.6
625.44586	16.7
635.39032	1.1
643.44977	1.0
651.45587	1.3
671.40948	1.6
689.42773	1.0
717.46881	1.4
735.47498	1.4
753.48816	2.1
769.48492	1.5
771.50940	5.2
787.49341	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.6
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01337	1.1
71.05006	4.6
73.02913	3.9
77.03939	1.9
79.05493	72.3
81.03425	10.0
81.07056	90.1
83.04985	9.3
83.08618	13.9
85.02431	1.2
85.02905	17.6
85.06535	3.3
91.03966	8.6
91.05479	69.4
93.07043	82.9
95.01292	1.1
95.04969	14.0
95.08607	78.2
96.04504	0.7
97.02895	12.9
97.06535	20.8
97.10165	8.9
99.04473	2.0
99.08091	2.6
103.05460	2.0
105.04545	3.6
105.07032	54.5
107.04957	10.1
107.08595	46.9
109.02870	3.3
109.06515	6.0
109.10155	43.4
111.04441	1.3
111.08069	7.0
113.06059	0.9
113.09647	1.5
115.05442	2.6
115.07572	1.2
116.06276	0.9
117.07015	17.7
119.08582	36.9
121.06488	4.3
121.10142	33.9
123.08083	6.5
123.11700	8.2
123.42770	0.8
125.09625	8.0
127.03928	4.5
128.06255	1.9
129.05463	2.7
129.07005	8.3
130.07770	1.3
131.08572	26.8
133.06483	2.7
133.10132	32.2
135.08070	5.2
135.10690	1.4
135.11687	21.8
137.09618	12.3
137.13245	1.8
139.11185	1.7
141.06967	3.1
142.07820	1.5
143.08575	7.7
145.04988	4.0
145.06468	1.9
145.10121	23.4
145.37759	0.8
147.08038	2.5
147.11691	19.6
149.09615	21.5
149.10753	1.5
149.13254	11.5
151.11174	3.5
153.12735	1.0
154.07695	0.9
155.08577	3.8
155.10681	2.5
157.08855	1.4
157.10100	7.8
158.10916	0.8
159.08043	1.7
159.10445	1.3
159.11696	16.9
161.09584	1.6
161.13263	11.4
163.06026	2.4
163.11179	9.2
163.12405	1.2
163.14833	4.0
165.09172	2.6
165.12755	1.8
167.10686	1.1
169.10114	5.0
171.10255	1.7
171.11708	5.9
173.04417	2.0
173.09563	0.8
173.11731	7.7
173.13261	11.5
175.11198	2.5
175.14833	3.4
177.12770	3.7
177.16443	1.3
179.10486	0.8
179.14267	5.2
183.11714	3.9
185.13263	2.6
187.11169	2.9
187.13354	1.1
187.14787	4.9
189.11180	2.6
189.12700	1.1
189.16328	1.4
191.14293	1.8
193.12224	1.3
195.13870	1.5
197.13319	3.8
199.11276	1.0
199.13121	0.9
199.14833	2.4
201.12685	2.0
201.16388	2.4
203.14278	1.1
209.13376	0.9
211.14941	1.5
213.16498	1.9
215.14348	1.1
215.17986	1.4
223.15033	1.1
225.64331	0.9
227.12697	3.9
227.17961	0.9
229.14394	10.5
229.19467	2.3
231.17603	0.9
237.16382	1.4
239.17995	1.6
241.19624	1.9
243.15855	1.3
243.20987	3.5
245.19046	1.8
247.20622	2.6
251.20125	1.3
253.14355	1.5
255.15817	2.4
257.19022	7.2
259.20599	3.9
261.22156	15.0
267.15909	1.2
273.18588	4.6
275.20068	37.0
277.21744	2.3
279.16089	1.0
279.23431	1.1
281.14175	0.9
287.20361	0.9
291.19507	8.3
293.21036	5.4
297.16855	0.9
299.14948	1.5
299.23593	1.2
317.24802	4.3
321.24307	0.9
331.22678	1.2
333.24252	3.3
334.76660	0.8
335.25797	100.0
336.26175	1.2
347.22028	1.8
349.23718	49.6
350.23920	1.0
351.25299	2.2
365.23294	5.8
367.24863	1.3
373.18677	1.8
383.24118	1.4
431.31616	6.7
489.35754	56.2
497.36472	1.3
503.37369	7.3
505.35489	0.8
513.39447	8.8
515.37390	10.8
517.40192	1.6
526.63660	0.9
529.38818	6.0
535.41376	1.8
545.38330	1.5
557.38452	1.5
565.04852	0.8
599.46088	1.2
609.45129	90.0
610.45477	2.5
625.44586	4.3
627.46143	26.4
633.39740	1.4
643.45599	2.2
676.23450	0.9
840.52972	1.0
956.63837	1.0
990.81476	1.0
1002.56653	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.5998
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01361	3.3
71.05003	6.1
73.02926	4.1
77.03938	2.0
79.05495	71.0
80.05837	0.6
81.03419	13.7
81.07058	100.0
82.07399	0.9
83.04983	11.6
83.08620	14.9
85.02908	16.5
85.06571	5.5
87.04472	0.7
91.03966	6.5
91.04596	1.1
91.05483	63.1
93.07046	77.6
94.07372	0.9
95.04971	15.7
95.08608	60.5
96.08971	0.6
97.02896	13.1
97.06528	13.6
97.10184	6.5
98.07352	0.6
99.04462	1.9
99.08095	2.0
101.02421	0.8
103.03953	0.9
103.05488	1.7
105.04520	3.8
105.07033	43.2
106.07298	0.7
107.04972	6.6
107.08598	40.7
109.02885	2.6
109.06514	6.7
109.10161	26.5
109.10908	1.2
111.04456	1.5
111.08091	5.4
113.05974	0.8
113.09669	1.8
115.03951	1.5
115.05424	3.1
115.07453	0.6
116.06220	0.8
117.07018	16.4
119.04932	1.0
119.08584	30.0
120.05728	0.9
121.06505	5.7
121.10143	26.8
123.08065	11.2
123.11709	8.9
125.05936	0.7
125.09616	5.8
127.03906	6.2
127.07525	1.2
128.06223	2.0
129.05493	3.2
129.06990	8.2
130.07806	1.7
131.07579	1.2
131.08569	21.9
131.66058	0.6
133.06480	1.9
133.10132	29.4
135.08084	5.6
135.11693	27.2
137.09622	7.4
137.13261	2.8
139.07549	0.8
139.11198	1.6
139.93031	0.7
141.07018	1.8
141.09081	1.4
142.07777	1.3
143.08571	3.8
144.09283	0.8
145.04941	2.9
145.06496	0.9
145.10124	17.7
147.08032	2.9
147.11694	16.7
149.09630	11.9
149.13278	9.3
151.11238	4.4
153.12738	1.4
155.08562	2.2
155.10637	1.7
157.10121	6.8
159.11687	13.7
161.09653	2.6
161.13251	10.5
161.84918	0.6
163.06012	2.4
163.11224	6.7
163.14833	2.3
165.09178	0.8
165.12787	2.6
169.10149	2.0
169.12259	1.1
171.11688	4.8
173.04521	3.6
173.09587	1.3
173.11726	2.3
173.13263	8.8
175.11172	3.7
175.14786	3.6
175.31973	0.6
177.12723	3.3
179.14346	2.2
181.10083	1.3
181.12221	2.5
183.11697	2.3
185.11778	0.9
185.13269	2.5
187.11188	1.0
187.13268	1.9
187.14838	2.8
189.11218	0.8
189.12769	1.9
191.14331	1.4
193.12242	2.3
195.11809	1.2
195.13869	1.8
197.13275	1.9
199.13223	0.8
199.14847	2.1
201.12694	1.0
201.16385	1.3
203.17952	0.7
209.13412	0.7
211.13214	1.3
213.16437	1.4
215.17880	0.8
217.15947	0.8
219.13899	0.7
227.12759	2.3
229.14261	2.9
229.19498	0.9
231.17471	1.1
233.15326	1.4
239.17937	1.2
241.19537	1.2
243.15871	5.8
243.21106	4.4
245.18886	1.3
247.20560	0.9
253.14388	3.9
255.15851	16.9
257.18961	3.2
259.20486	3.5
260.21127	0.8
261.18201	0.9
261.19211	1.1
261.22144	16.2
263.20132	1.2
267.15912	7.2
269.17438	4.8
271.15472	0.9
273.18475	6.1
275.20078	14.8
277.21539	1.6
285.16898	7.1
291.19550	9.2
293.21234	1.5
297.16757	0.7
303.23361	0.7
317.24661	2.2
321.24350	0.7
331.22687	0.7
333.24158	1.7
335.25803	86.2
336.26089	3.1
347.22131	1.1
349.23727	19.9
351.25327	1.7
365.23279	4.9
373.18591	0.7
383.24146	2.1
384.10641	0.7
413.21222	0.8
431.31482	2.0
453.33502	0.9
489.35770	15.9
503.30472	1.2
503.37378	21.6
504.38333	0.8
513.39233	2.2
515.37317	18.3
517.39734	0.9
527.37091	2.5
528.37970	1.3
529.38800	8.8
531.36694	2.2
535.40649	1.0
545.38385	5.9
609.45117	27.3
610.45288	1.3
625.44482	2.3
627.46356	6.7
643.45508	1.2
771.50024	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.5843
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04979	3.3
71.54146	0.9
71.54562	1.4
77.03923	1.4
79.05495	49.8
81.03423	9.6
81.07059	71.3
83.04982	9.2
83.08626	11.5
85.02902	2.7
85.06532	3.0
91.05483	72.6
92.69095	1.0
93.07044	52.8
95.01330	10.9
95.04982	9.0
95.08612	37.9
97.02892	3.5
97.06536	27.1
97.10149	4.9
99.04414	1.5
99.08090	2.6
103.05437	2.0
105.04488	1.6
105.07035	87.0
107.04956	18.4
107.07870	1.9
107.08594	28.3
109.02862	1.9
109.06521	5.5
109.10159	11.3
111.08067	4.4
111.34013	1.1
113.06033	1.0
113.09630	1.4
115.05454	3.2
116.06219	1.0
117.07021	21.5
119.08585	52.9
121.06493	3.7
121.10143	15.4
123.04413	2.6
123.08102	5.2
123.11702	2.4
124.67928	1.1
125.09655	3.0
127.03889	1.8
128.06219	2.2
129.05496	1.6
129.07011	6.9
130.07773	1.1
131.04933	1.3
131.08575	28.5
133.06493	1.7
133.10135	52.4
135.08047	4.2
135.11711	12.8
137.09587	3.4
139.07529	2.3
141.06996	3.0
142.07758	1.6
143.08553	8.5
145.06435	3.0
145.10129	25.6
146.08102	3.1
147.08035	1.9
147.11699	26.1
149.09645	11.6
149.13261	8.5
151.11177	3.5
153.09119	1.9
155.08577	2.3
157.10121	6.8
159.11697	19.7
161.13255	11.8
163.11147	8.6
164.89020	1.0
165.09073	2.2
169.10109	3.9
171.11714	6.5
173.09705	1.5
173.13248	6.9
175.11179	1.4
175.14818	3.2
177.12692	5.4
179.14319	15.9
183.11720	6.1
185.13274	2.7
187.11147	3.6
187.14868	2.2
189.11188	1.4
189.12785	2.0
195.13786	2.3
197.13309	4.6
199.14815	1.8
201.12726	1.2
205.12312	1.7
215.14111	1.5
217.15855	1.4
219.13890	1.7
223.13223	1.2
227.12711	2.5
229.14534	1.3
229.19455	3.2
231.21083	1.1
233.15402	1.3
239.17908	3.6
240.69775	1.1
241.19556	7.4
247.20575	4.0
257.19000	13.4
259.20575	13.6
269.17487	20.4
273.18524	1.6
275.20074	100.0
277.21512	1.7
279.15948	1.8
289.18018	2.5
291.19644	1.9
293.18045	0.9
293.20984	5.3
315.23190	4.1
331.22610	3.0
333.20453	1.7
333.24261	22.7
335.25754	2.9
349.23721	58.3
469.39963	1.1
503.33618	2.2
513.35559	1.5
519.33502	1.2
527.36865	1.7
529.35010	1.5
543.36829	70.9
583.39929	1.3
605.42029	1.5
607.43634	64.6
615.22485	1.3
623.43073	22.1
625.44647	12.8
641.43817	5.2
687.41498	1.5
810.57288	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.5836
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05001	3.5
71.54404	1.6
71.54858	2.2
73.02944	2.4
79.05498	54.0
81.03423	13.6
81.07059	55.3
83.04990	10.6
83.08631	17.6
85.02915	7.1
85.06561	2.1
88.32664	1.3
91.03957	2.5
91.05486	65.3
93.07045	51.8
95.01363	1.7
95.04964	12.3
95.08612	36.3
97.02895	10.9
97.06554	8.6
97.10175	18.5
99.04427	1.9
99.08080	2.6
103.05454	3.8
105.04543	2.7
105.07033	63.1
107.04974	8.9
107.08594	37.8
109.02878	1.9
109.06514	6.1
109.10153	20.2
111.08077	5.1
115.05435	2.1
117.07013	22.2
119.08586	45.5
121.06504	6.5
121.10151	19.2
123.08081	7.6
123.11721	3.9
125.09636	13.5
127.03912	1.5
128.06204	4.8
128.76575	1.4
129.05527	2.0
129.07002	14.2
130.07820	2.7
131.08578	32.5
133.06496	4.4
133.10130	33.5
134.07304	1.9
135.08070	7.9
135.11690	13.7
136.06192	72.0
137.04532	1.5
137.09619	4.1
141.06981	4.9
142.07799	3.0
143.08563	13.2
145.05006	1.5
145.10132	27.3
147.08023	6.7
147.11691	27.8
149.09604	5.1
149.13249	7.2
151.11166	3.3
153.12682	1.5
155.08571	6.6
157.10123	13.9
159.08064	2.7
159.11681	15.5
161.09665	3.7
161.13263	15.3
163.11217	5.7
163.14806	2.5
165.09073	1.7
167.08582	3.3
169.10178	4.9
171.10254	3.2
171.11629	14.0
173.11879	2.2
173.13249	8.7
175.11162	2.7
175.14821	6.5
177.12723	2.4
181.10126	3.4
183.11676	4.1
185.09621	2.1
185.13220	8.2
187.14813	3.2
189.11240	7.1
189.12769	2.1
189.16328	1.8
190.27429	1.4
193.12146	3.6
195.11719	3.3
195.13847	2.5
197.13293	4.8
199.11212	2.1
199.14815	4.6
201.16418	2.4
205.12146	1.6
209.13252	4.1
211.13167	3.4
211.14917	2.7
213.16426	2.5
223.13182	17.9
225.16599	2.0
227.12732	14.2
227.17833	2.4
231.21112	3.7
237.16396	3.3
239.17998	2.0
241.19537	14.8
247.20631	1.5
249.14758	2.8
253.14363	3.6
253.19603	2.4
257.19003	4.2
259.20590	38.2
267.15863	6.9
269.17429	3.1
273.18549	11.4
275.20163	7.6
283.15436	3.5
289.17917	2.1
291.19543	100.0
292.19769	1.8
297.22250	1.6
299.23730	3.5
301.14261	1.4
313.27429	4.6
315.23117	5.4
333.24237	36.5
334.24426	1.6
335.25766	9.7
349.23593	5.0
365.23221	45.1
367.22723	2.0
379.29926	3.0
381.22629	2.7
461.29062	3.5
505.39059	3.1
511.33682	3.1
525.35712	11.1
529.35040	6.1
541.34674	3.3
543.36853	30.9
549.39679	2.0
605.41956	12.5
623.43042	78.4
624.43036	2.1
641.44226	15.8
676.45929	2.5
767.46973	1.9
785.48560	2.5
820.49603	2.8
838.50476	3.7
982.54456	2.0
1000.56390	3.1
END